Entering Gaussian System, Link 0=g16 Input=CpPTcS5.gjf Output=CpPTcS5.log Initial command: /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605977.inp" -scrdir="/rds/general/user/rzepa/ephemeral/1881179.pbs-7/" Entering Link 1 = /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe PID= 3605979. Copyright (c) 1988-2019, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 16 program. It is based on the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.), the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.), the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.), the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.), the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.), the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.), the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.), the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon University), and the Gaussian 82(TM) system (copyright 1983, Carnegie Mellon University). Gaussian is a federally registered trademark of Gaussian, Inc. This software contains proprietary and confidential information, including trade secrets, belonging to Gaussian, Inc. This software is provided under written license and may be used, copied, transmitted, or stored only in accord with that written license. The following legend is applicable only to US Government contracts under FAR: RESTRICTED RIGHTS LEGEND Use, reproduction and disclosure by the US Government is subject to restrictions as set forth in subparagraphs (a) and (c) of the Commercial Computer Software - Restricted Rights clause in FAR 52.227-19. Gaussian, Inc. 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492 --------------------------------------------------------------- Warning -- This program may not be used in any manner that competes with the business of Gaussian, Inc. or will provide assistance to any competitor of Gaussian, Inc. The licensee of this program is prohibited from giving any competitor of Gaussian, Inc. access to this program. By using this program, the user acknowledges that Gaussian, Inc. is engaged in the business of creating and licensing software in the field of computational chemistry and represents and warrants to the licensee that it is not a competitor of Gaussian, Inc. and that it will not use this program in any manner prohibited above. --------------------------------------------------------------- Cite this work as: Gaussian 16, Revision C.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2019. ****************************************** Gaussian 16: ES64L-G16RevC.01 3-Jul-2019 10-Mar-2026 ****************************************** %Chk=checkpoint.chk %NProcShared=128 Will use up to 128 processors via shared memory. %Mem=460800MB ------------------------------------------------ # NEDA=2 pop=(savenbos,nbo7read) def2qzvpp mn15l ------------------------------------------------ 1/38=1,62=2,160=70,163=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 1/38=1,53=2,62=2,63=1,160=70,163=2/22; 3/5=45,7=202,11=2,25=1,30=1,74=-72/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=2,8=2,9=2,10=2,28=1,40=112,73=1,113=1,114=1,124=2103/1,12(1); 99/5=1,9=1/99; 5/5=2,7=1,13=1,38=1,48=100000/2; 6/7=2,8=2,9=2,10=2,28=1,40=203,73=1,113=1,114=1,124=2103/12(-1); 1/53=2,62=2,63=1,160=70,163=2/22; 3/5=7,6=11,7=202,11=2,25=1,30=1,74=-72,82=7/1,2,3; 4/5=19/1; 5/5=2,38=1,48=100000,185=1/2; 1/53=2,62=2,63=1,160=70,163=2/22(-3); 2//2; 6/7=2,8=2,9=2,10=2,19=2,28=1,40=301,73=1,113=1,114=1,124=2103/1,12; 99/5=1,9=1/99; ------ CMPSCO ------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 in supermolecule Charge = 0 Multiplicity = 3 in fragment 1. Charge = 0 Multiplicity =-3 in fragment 2. Tc(fragment=1) 0.31599 0.42424 0.01094 S(fragment=2) -0.41064 -0.55918 -1.91029 S(fragment=2) -2.4198 -0.11441 -1.66616 S(fragment=2) -3.00631 -1.26181 -0.06578 S(fragment=2) -2.36534 -0.4079 1.69168 S(fragment=2) -0.35064 -0.86979 1.76812 C(fragment=1) 2.9703 -1.26974 1.54727 C(fragment=1) 2.13904 -2.52751 -0.84854 C(fragment=1) 3.61867 -0.09265 -0.93852 P(fragment=1) 2.21497 -0.87735 -0.07149 C(fragment=1) -0.92441 2.4363 0.25526 C(fragment=1) -0.00112 2.27212 1.33072 C(fragment=1) 1.33056 2.22413 0.80434 C(fragment=1) 1.22644 2.34454 -0.62956 C(fragment=1) -0.1646 2.45739 -0.94932 H(fragment=1) 3.93841 -1.78059 1.41522 H(fragment=1) 3.12197 -0.33831 2.116 H(fragment=1) 2.2983 -1.92256 2.12622 H(fragment=1) 3.09171 -3.06681 -0.7202 H(fragment=1) 1.32288 -3.10382 -0.38253 H(fragment=1) 1.91926 -2.42897 -1.92264 H(fragment=1) 4.50116 -0.7535 -0.93307 H(fragment=1) 3.33614 0.13414 -1.97837 H(fragment=1) 3.87692 0.85278 -0.43381 H(fragment=1) -2.00725 2.49295 0.33675 H(fragment=1) -0.27068 2.15454 2.37975 H(fragment=1) 2.25583 2.14958 1.37518 H(fragment=1) -0.57951 2.50667 -1.95553 H(fragment=1) 2.05711 2.36364 -1.33236 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 43 0 0.315991 0.424239 0.010944 2 16 0 -0.410636 -0.559179 -1.910285 3 16 0 -2.419798 -0.114408 -1.666156 4 16 0 -3.006314 -1.261805 -0.065780 5 16 0 -2.365338 -0.407897 1.691683 6 16 0 -0.350641 -0.869790 1.768117 7 6 0 2.970300 -1.269740 1.547265 8 6 0 2.139041 -2.527511 -0.848538 9 6 0 3.618668 -0.092653 -0.938517 10 15 0 2.214966 -0.877350 -0.071492 11 6 0 -0.924411 2.436303 0.255264 12 6 0 -0.001121 2.272121 1.330722 13 6 0 1.330556 2.224134 0.804336 14 6 0 1.226443 2.344542 -0.629564 15 6 0 -0.164598 2.457391 -0.949321 16 1 0 3.938412 -1.780594 1.415223 17 1 0 3.121974 -0.338311 2.116002 18 1 0 2.298302 -1.922556 2.126217 19 1 0 3.091713 -3.066806 -0.720198 20 1 0 1.322877 -3.103819 -0.382532 21 1 0 1.919258 -2.428971 -1.922635 22 1 0 4.501162 -0.753497 -0.933069 23 1 0 3.336139 0.134136 -1.978369 24 1 0 3.876923 0.852778 -0.433806 25 1 0 -2.007250 2.492947 0.336746 26 1 0 -0.270677 2.154541 2.379753 27 1 0 2.255834 2.149577 1.375176 28 1 0 -0.579510 2.506667 -1.955526 29 1 0 2.057114 2.363636 -1.332355 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Tc 0.000000 2 S 2.277327 0.000000 3 S 3.253820 2.072234 0.000000 4 S 3.726438 3.260893 2.054683 0.000000 5 S 3.272134 4.100966 3.371081 2.056377 0.000000 6 S 2.281790 3.691980 4.079981 3.251070 2.068379 7 C 3.503599 4.887768 6.380754 6.190468 5.406724 8 C 3.574220 3.391532 5.222507 5.356249 5.588821 9 C 3.475101 4.171004 6.082187 6.783729 6.544132 10 P 2.303700 3.221208 4.960451 5.235418 4.930351 11 C 2.376277 3.731820 3.526211 4.255983 3.497005 12 C 2.292824 4.322972 4.530651 4.844588 3.591979 13 C 2.213241 4.260017 5.063325 5.631813 4.623268 14 C 2.219625 3.570976 4.518410 5.589260 5.085764 15 C 2.299300 3.175481 3.494843 4.763236 4.475269 16 H 4.467127 5.609374 7.259332 7.119813 6.457398 17 H 3.589748 5.360886 6.713128 6.570307 5.504133 18 H 3.729797 5.048811 6.317591 5.777577 4.922657 19 H 4.519579 4.468887 6.323626 6.393139 6.531950 20 H 3.689964 3.437192 4.959021 4.715426 5.017299 21 H 3.801316 2.987420 4.924469 5.391794 5.958674 22 H 4.449031 5.011833 6.988958 7.574481 7.359184 23 H 3.628060 3.810990 5.769754 6.770034 6.802200 24 H 3.614095 4.749397 6.488669 7.210122 6.713630 25 H 3.127802 4.112639 3.313625 3.906190 3.221642 26 H 2.991552 5.078217 5.112361 5.013558 3.380404 27 H 2.932731 5.024109 6.019706 6.434600 5.291132 28 H 3.000905 3.070827 3.215654 4.864350 4.998600 29 H 2.932102 3.868674 5.127852 6.355025 6.031939 6 7 8 9 10 6 S 0.000000 7 C 3.352221 0.000000 8 C 3.974096 2.830698 0.000000 9 C 4.866747 2.825779 2.850601 0.000000 10 P 3.156986 1.828900 1.825540 1.826981 0.000000 11 C 3.680786 5.529267 5.936545 5.334819 4.576325 12 C 3.191408 4.628284 5.689107 4.883080 4.098343 13 C 3.650707 3.930376 5.095466 3.693304 3.341924 14 C 4.309060 4.565376 4.961621 3.429010 3.416023 15 C 4.299909 5.472845 5.492373 4.562449 4.189679 16 H 4.398872 1.102564 2.986676 2.914013 2.448762 17 H 3.530234 1.101829 3.814086 3.104374 2.428653 18 H 2.872882 1.101333 3.039819 3.805852 2.435021 19 H 4.782091 2.895786 1.102222 3.028354 2.446063 20 H 3.523754 3.130809 1.102459 3.827126 2.418622 21 H 4.604904 3.806404 1.100772 3.052026 2.433455 22 H 5.554271 2.960085 2.955315 1.102515 2.446292 23 H 5.351296 3.812453 3.129525 1.101158 2.432347 24 H 5.068333 3.041659 3.823427 1.102392 2.426255 25 H 4.012627 6.356034 6.618280 6.321596 5.417810 26 H 3.086595 4.787762 6.176586 5.584604 4.623785 27 H 4.008078 3.497400 5.180125 3.498298 3.355116 28 H 5.031735 6.255553 5.827426 5.041376 4.776008 29 H 5.085789 4.725203 4.915700 2.937161 3.481190 11 12 13 14 15 11 C 0.000000 12 C 1.426895 0.000000 13 C 2.330530 1.432742 0.000000 14 C 2.327555 2.314061 1.442708 0.000000 15 C 1.424354 2.293392 2.316292 1.431773 0.000000 16 H 6.540243 5.652571 4.817877 5.343470 6.355020 17 H 5.247291 4.145448 3.390541 4.281223 5.292798 18 H 5.734631 4.849276 4.458580 5.191468 5.891413 19 H 6.882223 6.502002 5.780997 5.724520 6.416604 20 H 6.012490 5.795597 5.458553 5.454811 5.784539 21 H 6.041572 6.030958 5.425341 4.993841 5.400586 22 H 6.404983 5.877896 4.683760 4.518157 5.663866 23 H 5.333046 5.163174 4.016703 3.340058 4.325692 24 H 5.102468 4.490804 3.146045 3.047741 4.378862 25 H 1.087377 2.249735 3.381102 3.378247 2.247354 26 H 2.240583 1.089473 2.247383 3.366520 3.344504 27 H 3.383840 2.260716 1.089751 2.261999 3.369945 28 H 2.238638 3.344992 3.368236 2.246314 1.089508 29 H 3.378654 3.366999 2.261149 1.088253 2.256437 16 17 18 19 20 16 H 0.000000 17 H 1.799401 0.000000 18 H 1.793217 1.785601 0.000000 19 H 2.632729 3.935687 3.168736 0.000000 20 H 3.438586 4.138533 2.939500 1.801158 0.000000 21 H 3.954576 4.704038 4.097967 1.796480 1.784098 22 H 2.624136 3.372147 3.946964 2.717215 3.991065 23 H 3.942764 4.127099 4.706879 3.448009 4.133312 24 H 3.218282 2.913788 4.092461 4.007707 4.709611 25 H 7.401159 6.122966 6.421577 7.617572 6.552167 26 H 5.842263 4.218288 4.825625 6.941025 6.149795 27 H 4.275385 2.736532 4.141030 5.683303 5.617661 28 H 7.081961 6.194532 6.675361 6.787305 6.129514 29 H 5.316306 4.508393 5.512834 5.561909 5.597708 21 22 23 24 25 21 H 0.000000 22 H 3.233061 0.000000 23 H 2.929194 1.799395 0.000000 24 H 4.101090 1.794173 1.787336 0.000000 25 H 6.689361 7.383174 6.282957 6.156898 0.000000 26 H 6.656947 6.496301 6.007028 5.178155 2.702607 27 H 5.652605 4.335589 4.058981 2.753549 4.401150 28 H 5.532219 6.122689 4.578398 4.991070 2.700582 29 H 4.830788 3.981120 2.650266 2.530175 4.395643 26 27 28 29 26 H 0.000000 27 H 2.718907 0.000000 28 H 4.360506 4.388652 0.000000 29 H 4.386579 2.723240 2.713040 0.000000 Stoichiometry C8H14PS5Tc Framework group C1[X(C8H14PS5Tc)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 43 0 0.315991 0.424239 0.010944 2 16 0 -0.410636 -0.559179 -1.910285 3 16 0 -2.419798 -0.114408 -1.666156 4 16 0 -3.006314 -1.261805 -0.065780 5 16 0 -2.365338 -0.407897 1.691683 6 16 0 -0.350641 -0.869790 1.768117 7 6 0 2.970300 -1.269740 1.547265 8 6 0 2.139041 -2.527511 -0.848538 9 6 0 3.618668 -0.092653 -0.938517 10 15 0 2.214966 -0.877350 -0.071492 11 6 0 -0.924411 2.436303 0.255264 12 6 0 -0.001121 2.272121 1.330722 13 6 0 1.330556 2.224134 0.804336 14 6 0 1.226443 2.344542 -0.629564 15 6 0 -0.164598 2.457391 -0.949321 16 1 0 3.938412 -1.780594 1.415223 17 1 0 3.121974 -0.338311 2.116002 18 1 0 2.298302 -1.922556 2.126217 19 1 0 3.091713 -3.066806 -0.720198 20 1 0 1.322877 -3.103819 -0.382532 21 1 0 1.919258 -2.428971 -1.922635 22 1 0 4.501162 -0.753497 -0.933069 23 1 0 3.336139 0.134136 -1.978369 24 1 0 3.876923 0.852778 -0.433806 25 1 0 -2.007250 2.492947 0.336746 26 1 0 -0.270677 2.154541 2.379753 27 1 0 2.255834 2.149577 1.375176 28 1 0 -0.579510 2.506667 -1.955526 29 1 0 2.057114 2.363636 -1.332355 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4418533 0.2769584 0.2632371 NEDA: doing full-system calculation. Standard basis: def2QZVPP (5D, 7F) There are 1698 symmetry adapted cartesian basis functions of A symmetry. There are 1384 symmetry adapted basis functions of A symmetry. 1384 basis functions, 2139 primitive gaussians, 1698 cartesian basis functions 86 alpha electrons 86 beta electrons nuclear repulsion energy 2178.6986795076 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 92665 NPrTT= 239268 LenC2= 79775 LenP2D= 150561. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1384 RedAO= T EigKep= 6.60D-06 NBF= 1384 NBsUse= 1384 1.00D-06 EigRej= -1.00D+00 NBFU= 1384 Defaulting to unpruned grid for atomic number 43. ExpMin= 2.15D-02 ExpMax= 1.27D+06 ExpMxC= 1.45D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 1009 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 1009 AccDes= 0.00D+00 IRadAn= 5 IDoV= 1 UseB2=F ITyADJ=14 ICtDFT= 3500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Defaulting to unpruned grid for atomic number 43. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess = 0.0000 = 0.0000 = 0.0000 =-0.0000 S=-0.0000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. EnCoef did 100 forward-backward iterations EnCoef did 3 forward-backward iterations EnCoef did 6 forward-backward iterations SCF Done: E(UMN15L) = -2726.25835215 A.U. after 19 cycles NFock= 19 Conv=0.12D-08 -V/T= 2.0203 = 0.0000 = 0.0000 = 0.0000 =-0.0000 S=-0.0000 = 0.00000000000 Annihilation of the first spin contaminant: S**2 before annihilation -0.0000, after 0.0000 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Alpha Orbitals: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Beta Orbitals: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) 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(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -88.66300 -88.66275 -88.66235 -88.63485 -88.63382 Alpha occ. eigenvalues -- -76.87742 -10.21835 -10.21725 -10.21649 -10.21531 Alpha occ. eigenvalues -- -10.20929 -10.19941 -10.19424 -10.19025 -7.96369 Alpha occ. eigenvalues -- -7.96341 -7.96320 -7.93738 -7.93635 -6.58744 Alpha occ. eigenvalues -- -5.90391 -5.90363 -5.90339 -5.89946 -5.89916 Alpha occ. eigenvalues -- -5.89905 -5.89244 -5.89219 -5.89125 -5.87789 Alpha occ. eigenvalues -- -5.87690 -5.86994 -5.86895 -5.86854 -5.86744 Alpha occ. eigenvalues -- -4.71054 -4.71030 -4.70621 -2.79284 -1.72363 Alpha occ. eigenvalues -- -1.72336 -1.69947 -0.90372 -0.81428 -0.77760 Alpha occ. eigenvalues -- -0.76043 -0.72960 -0.72895 -0.70613 -0.70116 Alpha occ. eigenvalues -- -0.68921 -0.61109 -0.55192 -0.55024 -0.54287 Alpha occ. eigenvalues -- -0.52961 -0.52820 -0.44217 -0.42911 -0.42791 Alpha occ. eigenvalues -- -0.41254 -0.40817 -0.40290 -0.39677 -0.39355 Alpha occ. eigenvalues -- -0.39237 -0.38152 -0.37746 -0.37553 -0.36946 Alpha occ. eigenvalues -- -0.36558 -0.33941 -0.33588 -0.33152 -0.32480 Alpha occ. eigenvalues -- -0.31463 -0.30066 -0.29272 -0.28391 -0.25863 Alpha occ. eigenvalues -- -0.24714 -0.22166 -0.21799 -0.21517 -0.18671 Alpha occ. eigenvalues -- -0.16726 Alpha virt. eigenvalues -- -0.11505 -0.05748 -0.04463 -0.03847 -0.03291 Alpha virt. eigenvalues -- -0.02069 -0.01684 -0.01216 -0.00176 -0.00058 Alpha virt. eigenvalues -- 0.01117 0.02105 0.02347 0.02968 0.03248 Alpha virt. eigenvalues -- 0.03724 0.03850 0.04941 0.05517 0.06022 Alpha virt. eigenvalues -- 0.06455 0.06749 0.07353 0.07720 0.08343 Alpha virt. eigenvalues -- 0.08730 0.09280 0.09435 0.10113 0.10430 Alpha virt. eigenvalues -- 0.10755 0.10951 0.11340 0.11803 0.12017 Alpha virt. eigenvalues -- 0.12420 0.13281 0.13495 0.13924 0.14049 Alpha virt. eigenvalues -- 0.14326 0.14982 0.15365 0.15733 0.16170 Alpha virt. eigenvalues -- 0.16693 0.16872 0.17397 0.17992 0.18289 Alpha virt. eigenvalues -- 0.18779 0.19206 0.19455 0.19556 0.20259 Alpha virt. eigenvalues -- 0.20600 0.21182 0.21623 0.21920 0.22173 Alpha virt. eigenvalues -- 0.22800 0.23299 0.23782 0.24590 0.24761 Alpha virt. eigenvalues -- 0.25147 0.25400 0.25876 0.26369 0.27002 Alpha virt. eigenvalues -- 0.27372 0.27462 0.28123 0.28403 0.28890 Alpha virt. eigenvalues -- 0.28993 0.29569 0.29754 0.30058 0.30381 Alpha virt. eigenvalues -- 0.30723 0.31756 0.32335 0.32530 0.32640 Alpha virt. eigenvalues -- 0.33112 0.33937 0.34190 0.34502 0.34968 Alpha virt. eigenvalues -- 0.35223 0.36088 0.36266 0.37123 0.37477 Alpha virt. eigenvalues -- 0.38066 0.38653 0.38855 0.39169 0.40334 Alpha virt. eigenvalues -- 0.40644 0.40956 0.41708 0.41822 0.42833 Alpha virt. eigenvalues -- 0.43051 0.43386 0.44210 0.44554 0.45073 Alpha virt. eigenvalues -- 0.45335 0.45750 0.45966 0.46550 0.46879 Alpha virt. eigenvalues -- 0.47202 0.47470 0.47904 0.48582 0.49393 Alpha virt. eigenvalues -- 0.49415 0.50301 0.50533 0.51017 0.51531 Alpha virt. eigenvalues -- 0.52073 0.52612 0.53078 0.53368 0.53803 Alpha virt. eigenvalues -- 0.54685 0.55348 0.55623 0.56057 0.56522 Alpha virt. eigenvalues -- 0.56881 0.57242 0.57566 0.58321 0.59229 Alpha virt. eigenvalues -- 0.59738 0.60013 0.60722 0.61557 0.61640 Alpha virt. eigenvalues -- 0.62284 0.63620 0.64095 0.64703 0.65540 Alpha virt. eigenvalues -- 0.65916 0.66614 0.66938 0.68108 0.68987 Alpha virt. eigenvalues -- 0.69333 0.69546 0.70257 0.70939 0.71163 Alpha virt. eigenvalues -- 0.72366 0.73113 0.73483 0.73942 0.74539 Alpha virt. eigenvalues -- 0.75305 0.76075 0.76360 0.77056 0.78057 Alpha virt. eigenvalues -- 0.78251 0.78884 0.79388 0.79746 0.80809 Alpha virt. eigenvalues -- 0.81594 0.81728 0.82206 0.82814 0.83612 Alpha virt. eigenvalues -- 0.84412 0.84664 0.85010 0.85418 0.86254 Alpha virt. eigenvalues -- 0.86682 0.87044 0.87264 0.87702 0.88604 Alpha virt. eigenvalues -- 0.88796 0.89263 0.89365 0.90008 0.90592 Alpha virt. eigenvalues -- 0.91633 0.92034 0.92229 0.92853 0.93542 Alpha virt. eigenvalues -- 0.94367 0.94457 0.94730 0.95087 0.95927 Alpha virt. eigenvalues -- 0.96402 0.96699 0.97049 0.97815 0.98216 Alpha virt. eigenvalues -- 0.99139 0.99533 0.99599 1.00209 1.00706 Alpha virt. eigenvalues -- 1.01027 1.02460 1.02741 1.03027 1.03765 Alpha virt. eigenvalues -- 1.03944 1.04106 1.05349 1.05640 1.06650 Alpha virt. eigenvalues -- 1.06733 1.07265 1.07592 1.08360 1.08722 Alpha virt. eigenvalues -- 1.09971 1.10108 1.10489 1.10764 1.11203 Alpha virt. eigenvalues -- 1.11476 1.12120 1.12192 1.12646 1.13115 Alpha virt. eigenvalues -- 1.13142 1.13547 1.14008 1.14530 1.15136 Alpha virt. eigenvalues -- 1.15834 1.15995 1.16480 1.17180 1.17258 Alpha virt. eigenvalues -- 1.17497 1.18080 1.18450 1.18804 1.18957 Alpha virt. eigenvalues -- 1.19503 1.19862 1.20180 1.20971 1.21415 Alpha virt. eigenvalues -- 1.21617 1.21896 1.22872 1.23296 1.23912 Alpha virt. eigenvalues -- 1.24265 1.24739 1.25447 1.26007 1.26030 Alpha virt. eigenvalues -- 1.26298 1.27203 1.27468 1.28707 1.29457 Alpha virt. eigenvalues -- 1.30233 1.30313 1.30606 1.31765 1.31812 Alpha virt. eigenvalues -- 1.32516 1.32943 1.33508 1.33710 1.34316 Alpha virt. eigenvalues -- 1.35608 1.35875 1.36602 1.36812 1.37562 Alpha virt. eigenvalues -- 1.38635 1.38973 1.39268 1.40450 1.40794 Alpha virt. eigenvalues -- 1.41761 1.42229 1.43275 1.43802 1.44395 Alpha virt. eigenvalues -- 1.45544 1.45721 1.46100 1.46153 1.47067 Alpha virt. eigenvalues -- 1.47728 1.47831 1.48853 1.49361 1.49783 Alpha virt. eigenvalues -- 1.50835 1.51056 1.51830 1.52125 1.52746 Alpha virt. eigenvalues -- 1.53125 1.53596 1.54741 1.55025 1.55658 Alpha virt. eigenvalues -- 1.56591 1.57290 1.57760 1.58305 1.58789 Alpha virt. eigenvalues -- 1.59717 1.60265 1.60552 1.61222 1.62041 Alpha virt. eigenvalues -- 1.63772 1.64023 1.64403 1.65042 1.65739 Alpha virt. eigenvalues -- 1.66775 1.68540 1.69432 1.70245 1.70823 Alpha virt. eigenvalues -- 1.71880 1.72229 1.73344 1.74718 1.75415 Alpha virt. eigenvalues -- 1.76468 1.76635 1.77756 1.79270 1.79334 Alpha virt. eigenvalues -- 1.79726 1.80211 1.81337 1.82674 1.83236 Alpha virt. eigenvalues -- 1.83927 1.83940 1.85458 1.86002 1.86551 Alpha virt. eigenvalues -- 1.87123 1.87582 1.87978 1.88987 1.90129 Alpha virt. eigenvalues -- 1.90324 1.90934 1.92229 1.92684 1.93053 Alpha virt. eigenvalues -- 1.93949 1.94237 1.95160 1.95492 1.96502 Alpha virt. eigenvalues -- 1.96734 1.96831 1.98491 1.98866 1.99446 Alpha virt. eigenvalues -- 2.00090 2.00573 2.01273 2.01771 2.02412 Alpha virt. eigenvalues -- 2.02816 2.03890 2.04614 2.05002 2.05499 Alpha virt. eigenvalues -- 2.06380 2.07813 2.08570 2.09020 2.09540 Alpha virt. eigenvalues -- 2.09800 2.10940 2.11461 2.12132 2.12709 Alpha virt. eigenvalues -- 2.13135 2.13801 2.14311 2.15173 2.16847 Alpha virt. eigenvalues -- 2.17590 2.17684 2.18486 2.20676 2.21471 Alpha virt. eigenvalues -- 2.21788 2.22119 2.22981 2.23305 2.24288 Alpha virt. eigenvalues -- 2.24748 2.25393 2.26904 2.28078 2.29204 Alpha virt. eigenvalues -- 2.30677 2.31112 2.31220 2.32692 2.33363 Alpha virt. eigenvalues -- 2.34241 2.35523 2.35687 2.36447 2.36783 Alpha virt. eigenvalues -- 2.37330 2.37780 2.38527 2.39443 2.40007 Alpha virt. eigenvalues -- 2.40583 2.42044 2.42846 2.43320 2.44177 Alpha virt. eigenvalues -- 2.44613 2.45162 2.45503 2.46465 2.47791 Alpha virt. eigenvalues -- 2.48484 2.49126 2.49435 2.50165 2.51148 Alpha virt. eigenvalues -- 2.52064 2.53143 2.53216 2.54008 2.54894 Alpha virt. eigenvalues -- 2.55466 2.56133 2.56699 2.57388 2.57708 Alpha virt. eigenvalues -- 2.58700 2.59506 2.61091 2.61443 2.62776 Alpha virt. eigenvalues -- 2.63316 2.63681 2.64477 2.65038 2.65493 Alpha virt. eigenvalues -- 2.66430 2.66912 2.67601 2.68138 2.69337 Alpha virt. eigenvalues -- 2.69942 2.70348 2.71187 2.71530 2.72401 Alpha virt. eigenvalues -- 2.72664 2.73119 2.73513 2.74308 2.74699 Alpha virt. eigenvalues -- 2.76335 2.77214 2.78065 2.78402 2.79129 Alpha virt. eigenvalues -- 2.79658 2.80252 2.80674 2.81248 2.82081 Alpha virt. eigenvalues -- 2.82623 2.82885 2.83681 2.83892 2.84620 Alpha virt. eigenvalues -- 2.84989 2.86003 2.86684 2.87791 2.87897 Alpha virt. eigenvalues -- 2.88205 2.89355 2.89968 2.90205 2.90964 Alpha virt. eigenvalues -- 2.91248 2.91745 2.92382 2.92614 2.93020 Alpha virt. eigenvalues -- 2.93440 2.94013 2.94567 2.94896 2.95886 Alpha virt. eigenvalues -- 2.96138 2.96270 2.97528 2.98211 2.99034 Alpha virt. eigenvalues -- 2.99452 2.99498 3.00230 3.01234 3.01624 Alpha virt. eigenvalues -- 3.01927 3.02880 3.03145 3.03707 3.03968 Alpha virt. eigenvalues -- 3.04892 3.05450 3.05654 3.06279 3.06625 Alpha virt. eigenvalues -- 3.06920 3.07394 3.07919 3.08088 3.08702 Alpha virt. eigenvalues -- 3.09045 3.09304 3.09642 3.09820 3.10736 Alpha virt. eigenvalues -- 3.11116 3.11934 3.12134 3.12947 3.13164 Alpha virt. eigenvalues -- 3.13977 3.14351 3.14739 3.15382 3.15493 Alpha virt. eigenvalues -- 3.16014 3.16301 3.16632 3.17425 3.17624 Alpha virt. eigenvalues -- 3.18339 3.18531 3.19035 3.19417 3.20675 Alpha virt. eigenvalues -- 3.21298 3.21488 3.22396 3.22582 3.23144 Alpha virt. eigenvalues -- 3.23774 3.24320 3.24699 3.24956 3.26160 Alpha virt. eigenvalues -- 3.26599 3.27950 3.28339 3.29001 3.29317 Alpha virt. eigenvalues -- 3.30149 3.31221 3.32602 3.32703 3.33692 Alpha virt. eigenvalues -- 3.34086 3.34609 3.35090 3.35896 3.36209 Alpha virt. eigenvalues -- 3.36966 3.37354 3.37988 3.38052 3.39067 Alpha virt. eigenvalues -- 3.40332 3.40362 3.41360 3.41803 3.42662 Alpha virt. eigenvalues -- 3.43253 3.44165 3.44523 3.45046 3.45926 Alpha virt. eigenvalues -- 3.46952 3.47472 3.48466 3.48858 3.49795 Alpha virt. eigenvalues -- 3.49934 3.50739 3.50937 3.52217 3.52714 Alpha virt. eigenvalues -- 3.52880 3.53883 3.54655 3.55471 3.56231 Alpha virt. eigenvalues -- 3.56954 3.57325 3.57907 3.58328 3.58956 Alpha virt. eigenvalues -- 3.59943 3.61832 3.61979 3.63183 3.63300 Alpha virt. eigenvalues -- 3.63863 3.64553 3.65959 3.66770 3.67363 Alpha virt. eigenvalues -- 3.68593 3.68633 3.69713 3.70213 3.71120 Alpha virt. eigenvalues -- 3.71325 3.72341 3.72993 3.73280 3.73730 Alpha virt. eigenvalues -- 3.74042 3.75212 3.76170 3.76648 3.77085 Alpha virt. eigenvalues -- 3.77955 3.78086 3.78714 3.78728 3.79654 Alpha virt. eigenvalues -- 3.80365 3.81050 3.81234 3.81907 3.82395 Alpha virt. eigenvalues -- 3.82734 3.82919 3.83518 3.84284 3.84512 Alpha virt. eigenvalues -- 3.84965 3.85650 3.85981 3.87494 3.87947 Alpha virt. eigenvalues -- 3.89173 3.89774 3.90569 3.91043 3.92204 Alpha virt. eigenvalues -- 3.92742 3.93193 3.93684 3.94259 3.94679 Alpha virt. eigenvalues -- 3.95724 3.96454 3.96925 3.97169 3.98282 Alpha virt. eigenvalues -- 3.98992 3.99929 4.00466 4.01816 4.02304 Alpha virt. eigenvalues -- 4.03218 4.03669 4.05324 4.05597 4.06215 Alpha virt. eigenvalues -- 4.06554 4.08022 4.09459 4.09830 4.10309 Alpha virt. eigenvalues -- 4.10809 4.11433 4.12509 4.13133 4.14030 Alpha virt. eigenvalues -- 4.15190 4.15764 4.16297 4.16724 4.17353 Alpha virt. eigenvalues -- 4.18600 4.19255 4.20111 4.21260 4.21557 Alpha virt. eigenvalues -- 4.22296 4.22957 4.23689 4.23790 4.24817 Alpha virt. eigenvalues -- 4.24954 4.26088 4.26370 4.26831 4.28275 Alpha virt. eigenvalues -- 4.30746 4.31799 4.32659 4.35073 4.36028 Alpha virt. eigenvalues -- 4.37817 4.38143 4.39958 4.41138 4.42927 Alpha virt. eigenvalues -- 4.44600 4.45310 4.45891 4.48000 4.50813 Alpha virt. eigenvalues -- 4.51235 4.51754 4.53303 4.54939 4.56300 Alpha virt. eigenvalues -- 4.59523 4.62634 4.64646 4.66405 4.66655 Alpha virt. eigenvalues -- 4.69258 4.70767 4.71619 4.72503 4.73487 Alpha virt. eigenvalues -- 4.74298 4.74737 4.76286 4.76579 4.78779 Alpha virt. eigenvalues -- 4.79538 4.80521 4.81201 4.82004 4.86207 Alpha virt. eigenvalues -- 4.86341 4.88351 4.91316 4.92657 4.92797 Alpha virt. eigenvalues -- 4.93775 5.00426 5.02926 5.05049 5.05677 Alpha virt. eigenvalues -- 5.06992 5.09214 5.20165 5.21196 5.27108 Alpha virt. eigenvalues -- 5.29016 5.30864 5.39627 5.40955 5.43013 Alpha virt. eigenvalues -- 5.44143 5.46028 5.47575 5.47940 5.49027 Alpha virt. eigenvalues -- 5.49860 5.51493 5.52224 5.56992 5.58951 Alpha virt. eigenvalues -- 5.63104 5.64201 5.66050 5.66503 5.67227 Alpha virt. eigenvalues -- 5.70986 5.72902 5.74157 5.75557 5.76104 Alpha virt. eigenvalues -- 5.78197 5.81273 5.82057 5.83447 5.84842 Alpha virt. eigenvalues -- 5.88241 5.91261 5.93100 5.93730 5.94093 Alpha virt. eigenvalues -- 5.96389 5.97489 5.98280 5.99630 6.01088 Alpha virt. eigenvalues -- 6.03224 6.03664 6.04516 6.05941 6.07133 Alpha virt. eigenvalues -- 6.10946 6.11708 6.12620 6.13947 6.15154 Alpha virt. eigenvalues -- 6.15715 6.17025 6.17155 6.18620 6.20835 Alpha virt. eigenvalues -- 6.21284 6.21939 6.22360 6.23226 6.25169 Alpha virt. eigenvalues -- 6.25367 6.26929 6.27439 6.29161 6.29714 Alpha virt. eigenvalues -- 6.30937 6.32430 6.33092 6.33775 6.35163 Alpha virt. eigenvalues -- 6.35776 6.36300 6.38699 6.38719 6.39296 Alpha virt. eigenvalues -- 6.40013 6.40462 6.41020 6.41965 6.42853 Alpha virt. eigenvalues -- 6.43674 6.43998 6.45218 6.48202 6.48832 Alpha virt. eigenvalues -- 6.50584 6.51702 6.52335 6.54192 6.55735 Alpha virt. eigenvalues -- 6.56741 6.56923 6.57751 6.58289 6.58671 Alpha virt. eigenvalues -- 6.59146 6.60015 6.60459 6.60877 6.60965 Alpha virt. eigenvalues -- 6.61919 6.62362 6.63180 6.64224 6.64783 Alpha virt. eigenvalues -- 6.65986 6.67631 6.69191 6.70637 6.71480 Alpha virt. eigenvalues -- 6.72063 6.72632 6.73385 6.74059 6.75032 Alpha virt. eigenvalues -- 6.75854 6.76980 6.78081 6.78477 6.79222 Alpha virt. eigenvalues -- 6.81046 6.81351 6.81776 6.81927 6.82512 Alpha virt. eigenvalues -- 6.83511 6.83990 6.84582 6.84945 6.85549 Alpha virt. eigenvalues -- 6.86133 6.87417 6.88806 6.89992 6.91713 Alpha virt. eigenvalues -- 6.93491 6.94300 6.94306 6.94928 6.96297 Alpha virt. eigenvalues -- 6.97644 6.97935 6.99295 7.00889 7.01715 Alpha virt. eigenvalues -- 7.04526 7.05403 7.05537 7.06612 7.07027 Alpha virt. eigenvalues -- 7.07964 7.08618 7.09755 7.11414 7.12269 Alpha virt. eigenvalues -- 7.12823 7.13281 7.14017 7.14460 7.15103 Alpha virt. eigenvalues -- 7.15845 7.17908 7.18681 7.19718 7.20336 Alpha virt. eigenvalues -- 7.20884 7.22052 7.22730 7.23740 7.23911 Alpha virt. eigenvalues -- 7.25016 7.28809 7.28907 7.29981 7.30667 Alpha virt. eigenvalues -- 7.32034 7.33044 7.34239 7.34698 7.35595 Alpha virt. eigenvalues -- 7.36781 7.38081 7.39021 7.43912 7.44879 Alpha virt. eigenvalues -- 7.46988 7.49061 7.49681 7.51083 7.54134 Alpha virt. eigenvalues -- 7.54734 7.55623 7.56787 7.57273 7.59670 Alpha virt. eigenvalues -- 7.60104 7.61214 7.62976 7.65397 7.66426 Alpha virt. eigenvalues -- 7.69959 7.70260 7.70909 7.71240 7.72790 Alpha virt. eigenvalues -- 7.73580 7.80427 7.82529 7.87204 7.89758 Alpha virt. eigenvalues -- 7.90533 7.91427 7.93104 7.94930 7.95463 Alpha virt. eigenvalues -- 7.97404 7.98446 7.99943 8.00464 8.01146 Alpha virt. eigenvalues -- 8.02737 8.05151 8.05835 8.06522 8.11825 Alpha virt. eigenvalues -- 8.12336 8.13507 8.14112 8.17330 8.18840 Alpha virt. eigenvalues -- 8.19623 8.20209 8.20715 8.22057 8.22567 Alpha virt. eigenvalues -- 8.23937 8.25046 8.27878 8.29989 8.31387 Alpha virt. eigenvalues -- 8.35592 8.40030 8.40742 8.41609 8.42297 Alpha virt. eigenvalues -- 8.42727 8.44762 8.46967 8.48239 8.48664 Alpha virt. eigenvalues -- 8.49568 8.50549 8.50687 8.51008 8.52148 Alpha virt. eigenvalues -- 8.53602 8.54048 8.55043 8.56067 8.56909 Alpha virt. eigenvalues -- 8.57522 8.58524 8.59814 8.60633 8.61295 Alpha virt. eigenvalues -- 8.64692 8.65016 8.65575 8.66444 8.66826 Alpha virt. eigenvalues -- 8.68313 8.69430 8.72026 8.73548 8.74259 Alpha virt. eigenvalues -- 8.75016 8.75857 8.76084 8.77600 8.79934 Alpha virt. eigenvalues -- 8.82444 8.84539 8.85616 8.85972 8.86269 Alpha virt. eigenvalues -- 8.87676 8.88448 8.88636 8.89196 8.90468 Alpha virt. eigenvalues -- 8.90696 8.91757 8.93038 8.93656 8.94673 Alpha virt. eigenvalues -- 8.97820 8.98480 8.99102 8.99725 9.00175 Alpha virt. eigenvalues -- 9.01015 9.06865 9.08753 9.09132 9.10565 Alpha virt. eigenvalues -- 9.10785 9.11382 9.11866 9.12110 9.12678 Alpha virt. eigenvalues -- 9.14535 9.14941 9.15570 9.16950 9.17144 Alpha virt. eigenvalues -- 9.18834 9.20334 9.21211 9.21805 9.22661 Alpha virt. eigenvalues -- 9.23022 9.23539 9.24275 9.24803 9.25151 Alpha virt. eigenvalues -- 9.25847 9.25904 9.26757 9.26947 9.27812 Alpha virt. eigenvalues -- 9.28517 9.29089 9.29824 9.30441 9.30876 Alpha virt. eigenvalues -- 9.31829 9.32292 9.34346 9.35108 9.35606 Alpha virt. eigenvalues -- 9.36111 9.36905 9.38204 9.39790 9.41292 Alpha virt. eigenvalues -- 9.42447 9.44016 9.44962 9.46306 9.47523 Alpha virt. eigenvalues -- 9.48212 9.49504 9.50419 9.51001 9.53101 Alpha virt. eigenvalues -- 9.56748 9.57805 9.59380 9.60671 9.62626 Alpha virt. eigenvalues -- 9.64567 9.65444 9.66125 9.67714 9.69742 Alpha virt. eigenvalues -- 9.70366 9.71845 9.72995 9.73167 9.73921 Alpha virt. eigenvalues -- 9.74255 9.76105 9.76980 9.77354 9.78637 Alpha virt. eigenvalues -- 9.79535 9.80810 9.81483 9.81689 9.82934 Alpha virt. eigenvalues -- 9.83749 9.85012 9.85728 9.86300 9.87107 Alpha virt. eigenvalues -- 9.88680 9.91016 9.91605 9.99632 10.06415 Alpha virt. eigenvalues -- 10.19637 10.21543 10.23485 10.26995 10.28287 Alpha virt. eigenvalues -- 10.32313 10.35417 10.39162 10.41139 10.42427 Alpha virt. eigenvalues -- 10.43976 10.46965 10.48021 10.52009 10.60900 Alpha virt. eigenvalues -- 10.63762 10.63812 10.64567 10.66835 10.68101 Alpha virt. eigenvalues -- 10.70830 10.73284 10.73709 10.73826 10.74460 Alpha virt. eigenvalues -- 10.75144 10.75586 10.75728 10.76148 10.76207 Alpha virt. eigenvalues -- 10.78552 10.79722 10.80187 10.81307 10.91706 Alpha virt. eigenvalues -- 10.92991 11.15700 11.16326 11.21790 11.22596 Alpha virt. eigenvalues -- 11.23198 11.23860 11.25908 11.29024 11.43506 Alpha virt. eigenvalues -- 11.44565 11.52012 11.52484 11.54523 11.72481 Alpha virt. eigenvalues -- 11.76157 12.79099 12.82448 12.84362 12.87999 Alpha virt. eigenvalues -- 12.89029 12.95439 12.96929 13.03233 13.20750 Alpha virt. eigenvalues -- 13.55591 13.72573 13.73547 13.86378 13.87937 Alpha virt. eigenvalues -- 13.88925 14.06439 14.08766 14.29898 19.04692 Alpha virt. eigenvalues -- 19.10148 19.17413 21.94927 25.15571 25.30715 Alpha virt. eigenvalues -- 25.40647 25.54052 25.62802 29.05030 29.12192 Alpha virt. eigenvalues -- 29.16156 29.19549 29.21003 29.23696 29.24235 Alpha virt. eigenvalues -- 29.27895 29.30529 29.32813 29.38657 29.45086 Alpha virt. eigenvalues -- 29.47254 29.47953 29.51632 29.53946 29.75843 Alpha virt. eigenvalues -- 30.13946 30.15515 30.30452 30.36111 30.38158 Alpha virt. eigenvalues -- 30.40175 30.43700 73.20784 85.80071 85.95193 Alpha virt. eigenvalues -- 86.05435 86.18113 86.26655 92.33304 141.95149 Alpha virt. eigenvalues -- 142.32165 142.33976 142.47388 142.49715 142.50088 Alpha virt. eigenvalues -- 142.58546 142.62359 375.11836 441.58107 441.81659 Alpha virt. eigenvalues -- 441.98482 442.19204 442.33184 Beta occ. eigenvalues -- -88.66300 -88.66275 -88.66235 -88.63485 -88.63382 Beta occ. eigenvalues -- -76.87742 -10.21835 -10.21725 -10.21649 -10.21531 Beta occ. eigenvalues -- -10.20929 -10.19941 -10.19424 -10.19025 -7.96369 Beta occ. eigenvalues -- -7.96341 -7.96320 -7.93738 -7.93635 -6.58744 Beta occ. eigenvalues -- -5.90391 -5.90363 -5.90339 -5.89946 -5.89916 Beta occ. eigenvalues -- -5.89905 -5.89244 -5.89219 -5.89125 -5.87789 Beta occ. eigenvalues -- -5.87690 -5.86994 -5.86895 -5.86854 -5.86744 Beta occ. eigenvalues -- -4.71054 -4.71030 -4.70621 -2.79284 -1.72363 Beta occ. eigenvalues -- -1.72336 -1.69947 -0.90372 -0.81428 -0.77760 Beta occ. eigenvalues -- -0.76043 -0.72960 -0.72895 -0.70613 -0.70116 Beta occ. eigenvalues -- -0.68921 -0.61109 -0.55192 -0.55024 -0.54287 Beta occ. eigenvalues -- -0.52961 -0.52820 -0.44217 -0.42911 -0.42791 Beta occ. eigenvalues -- -0.41254 -0.40817 -0.40290 -0.39677 -0.39355 Beta occ. eigenvalues -- -0.39237 -0.38152 -0.37746 -0.37553 -0.36946 Beta occ. eigenvalues -- -0.36558 -0.33941 -0.33588 -0.33152 -0.32480 Beta occ. eigenvalues -- -0.31463 -0.30066 -0.29272 -0.28391 -0.25863 Beta occ. eigenvalues -- -0.24714 -0.22166 -0.21799 -0.21517 -0.18671 Beta occ. eigenvalues -- -0.16726 Beta virt. eigenvalues -- -0.11505 -0.05748 -0.04463 -0.03847 -0.03291 Beta virt. eigenvalues -- -0.02069 -0.01684 -0.01216 -0.00176 -0.00058 Beta virt. eigenvalues -- 0.01117 0.02105 0.02347 0.02968 0.03248 Beta virt. eigenvalues -- 0.03724 0.03850 0.04941 0.05517 0.06022 Beta virt. eigenvalues -- 0.06455 0.06749 0.07353 0.07720 0.08343 Beta virt. eigenvalues -- 0.08730 0.09280 0.09435 0.10113 0.10430 Beta virt. eigenvalues -- 0.10755 0.10951 0.11340 0.11803 0.12017 Beta virt. eigenvalues -- 0.12420 0.13281 0.13495 0.13924 0.14049 Beta virt. eigenvalues -- 0.14326 0.14982 0.15365 0.15733 0.16170 Beta virt. eigenvalues -- 0.16693 0.16872 0.17397 0.17992 0.18289 Beta virt. eigenvalues -- 0.18779 0.19206 0.19455 0.19556 0.20259 Beta virt. eigenvalues -- 0.20600 0.21182 0.21623 0.21920 0.22173 Beta virt. eigenvalues -- 0.22800 0.23299 0.23782 0.24590 0.24761 Beta virt. eigenvalues -- 0.25147 0.25400 0.25876 0.26369 0.27002 Beta virt. eigenvalues -- 0.27372 0.27462 0.28123 0.28403 0.28890 Beta virt. eigenvalues -- 0.28993 0.29569 0.29754 0.30058 0.30381 Beta virt. eigenvalues -- 0.30723 0.31756 0.32335 0.32530 0.32640 Beta virt. eigenvalues -- 0.33112 0.33937 0.34190 0.34502 0.34968 Beta virt. eigenvalues -- 0.35223 0.36088 0.36266 0.37123 0.37477 Beta virt. eigenvalues -- 0.38066 0.38653 0.38855 0.39169 0.40334 Beta virt. eigenvalues -- 0.40644 0.40956 0.41708 0.41822 0.42833 Beta virt. eigenvalues -- 0.43051 0.43386 0.44210 0.44554 0.45073 Beta virt. eigenvalues -- 0.45335 0.45750 0.45966 0.46550 0.46879 Beta virt. eigenvalues -- 0.47202 0.47470 0.47904 0.48582 0.49393 Beta virt. eigenvalues -- 0.49415 0.50301 0.50533 0.51017 0.51531 Beta virt. eigenvalues -- 0.52073 0.52612 0.53078 0.53368 0.53803 Beta virt. eigenvalues -- 0.54685 0.55348 0.55623 0.56057 0.56522 Beta virt. eigenvalues -- 0.56881 0.57242 0.57566 0.58321 0.59229 Beta virt. eigenvalues -- 0.59738 0.60013 0.60722 0.61557 0.61640 Beta virt. eigenvalues -- 0.62284 0.63620 0.64095 0.64703 0.65540 Beta virt. eigenvalues -- 0.65916 0.66614 0.66938 0.68108 0.68987 Beta virt. eigenvalues -- 0.69333 0.69546 0.70257 0.70939 0.71163 Beta virt. eigenvalues -- 0.72366 0.73113 0.73483 0.73942 0.74539 Beta virt. eigenvalues -- 0.75305 0.76075 0.76360 0.77056 0.78057 Beta virt. eigenvalues -- 0.78251 0.78884 0.79388 0.79746 0.80809 Beta virt. eigenvalues -- 0.81594 0.81728 0.82206 0.82814 0.83612 Beta virt. eigenvalues -- 0.84412 0.84664 0.85010 0.85418 0.86254 Beta virt. eigenvalues -- 0.86682 0.87044 0.87264 0.87702 0.88604 Beta virt. eigenvalues -- 0.88796 0.89263 0.89365 0.90008 0.90592 Beta virt. eigenvalues -- 0.91633 0.92034 0.92229 0.92853 0.93542 Beta virt. eigenvalues -- 0.94367 0.94457 0.94730 0.95087 0.95927 Beta virt. eigenvalues -- 0.96402 0.96699 0.97049 0.97815 0.98216 Beta virt. eigenvalues -- 0.99139 0.99533 0.99599 1.00209 1.00706 Beta virt. eigenvalues -- 1.01027 1.02460 1.02741 1.03027 1.03765 Beta virt. eigenvalues -- 1.03944 1.04106 1.05349 1.05640 1.06650 Beta virt. eigenvalues -- 1.06733 1.07265 1.07592 1.08360 1.08722 Beta virt. eigenvalues -- 1.09971 1.10108 1.10489 1.10764 1.11203 Beta virt. eigenvalues -- 1.11476 1.12120 1.12192 1.12646 1.13115 Beta virt. eigenvalues -- 1.13142 1.13547 1.14008 1.14530 1.15136 Beta virt. eigenvalues -- 1.15834 1.15995 1.16480 1.17180 1.17258 Beta virt. eigenvalues -- 1.17497 1.18080 1.18450 1.18804 1.18957 Beta virt. eigenvalues -- 1.19503 1.19862 1.20180 1.20971 1.21415 Beta virt. eigenvalues -- 1.21617 1.21896 1.22872 1.23296 1.23912 Beta virt. eigenvalues -- 1.24265 1.24739 1.25447 1.26007 1.26030 Beta virt. eigenvalues -- 1.26298 1.27203 1.27468 1.28707 1.29457 Beta virt. eigenvalues -- 1.30233 1.30313 1.30606 1.31765 1.31812 Beta virt. eigenvalues -- 1.32516 1.32943 1.33508 1.33710 1.34316 Beta virt. eigenvalues -- 1.35608 1.35875 1.36602 1.36812 1.37562 Beta virt. eigenvalues -- 1.38635 1.38973 1.39268 1.40450 1.40794 Beta virt. eigenvalues -- 1.41761 1.42229 1.43275 1.43802 1.44395 Beta virt. eigenvalues -- 1.45544 1.45721 1.46100 1.46153 1.47067 Beta virt. eigenvalues -- 1.47728 1.47831 1.48853 1.49361 1.49783 Beta virt. eigenvalues -- 1.50835 1.51056 1.51830 1.52125 1.52746 Beta virt. eigenvalues -- 1.53125 1.53596 1.54741 1.55025 1.55658 Beta virt. eigenvalues -- 1.56591 1.57290 1.57760 1.58305 1.58789 Beta virt. eigenvalues -- 1.59717 1.60265 1.60552 1.61222 1.62041 Beta virt. eigenvalues -- 1.63772 1.64023 1.64403 1.65042 1.65739 Beta virt. eigenvalues -- 1.66775 1.68540 1.69432 1.70245 1.70823 Beta virt. eigenvalues -- 1.71880 1.72229 1.73344 1.74718 1.75415 Beta virt. eigenvalues -- 1.76468 1.76635 1.77756 1.79270 1.79334 Beta virt. eigenvalues -- 1.79726 1.80211 1.81337 1.82674 1.83236 Beta virt. eigenvalues -- 1.83927 1.83940 1.85458 1.86002 1.86551 Beta virt. eigenvalues -- 1.87123 1.87582 1.87978 1.88987 1.90129 Beta virt. eigenvalues -- 1.90324 1.90934 1.92229 1.92684 1.93053 Beta virt. eigenvalues -- 1.93949 1.94237 1.95160 1.95492 1.96502 Beta virt. eigenvalues -- 1.96734 1.96831 1.98491 1.98866 1.99446 Beta virt. eigenvalues -- 2.00090 2.00573 2.01273 2.01771 2.02412 Beta virt. eigenvalues -- 2.02816 2.03890 2.04614 2.05002 2.05499 Beta virt. eigenvalues -- 2.06380 2.07813 2.08570 2.09020 2.09540 Beta virt. eigenvalues -- 2.09800 2.10940 2.11461 2.12132 2.12709 Beta virt. eigenvalues -- 2.13135 2.13801 2.14311 2.15173 2.16847 Beta virt. eigenvalues -- 2.17590 2.17684 2.18486 2.20676 2.21471 Beta virt. eigenvalues -- 2.21788 2.22119 2.22981 2.23305 2.24288 Beta virt. eigenvalues -- 2.24748 2.25393 2.26904 2.28078 2.29204 Beta virt. eigenvalues -- 2.30677 2.31112 2.31220 2.32692 2.33363 Beta virt. eigenvalues -- 2.34241 2.35523 2.35687 2.36447 2.36783 Beta virt. eigenvalues -- 2.37330 2.37780 2.38527 2.39443 2.40007 Beta virt. eigenvalues -- 2.40583 2.42044 2.42846 2.43320 2.44177 Beta virt. eigenvalues -- 2.44613 2.45162 2.45503 2.46465 2.47791 Beta virt. eigenvalues -- 2.48484 2.49126 2.49435 2.50165 2.51148 Beta virt. eigenvalues -- 2.52064 2.53143 2.53216 2.54008 2.54894 Beta virt. eigenvalues -- 2.55466 2.56133 2.56699 2.57388 2.57708 Beta virt. eigenvalues -- 2.58700 2.59506 2.61091 2.61443 2.62776 Beta virt. eigenvalues -- 2.63316 2.63681 2.64477 2.65038 2.65493 Beta virt. eigenvalues -- 2.66430 2.66912 2.67601 2.68138 2.69337 Beta virt. eigenvalues -- 2.69942 2.70348 2.71187 2.71530 2.72401 Beta virt. eigenvalues -- 2.72664 2.73119 2.73513 2.74308 2.74699 Beta virt. eigenvalues -- 2.76335 2.77214 2.78065 2.78402 2.79129 Beta virt. eigenvalues -- 2.79658 2.80252 2.80674 2.81248 2.82081 Beta virt. eigenvalues -- 2.82623 2.82885 2.83681 2.83892 2.84620 Beta virt. eigenvalues -- 2.84989 2.86003 2.86684 2.87791 2.87897 Beta virt. eigenvalues -- 2.88205 2.89355 2.89968 2.90205 2.90964 Beta virt. eigenvalues -- 2.91248 2.91745 2.92382 2.92614 2.93020 Beta virt. eigenvalues -- 2.93440 2.94013 2.94567 2.94896 2.95886 Beta virt. eigenvalues -- 2.96138 2.96270 2.97528 2.98211 2.99034 Beta virt. eigenvalues -- 2.99452 2.99498 3.00230 3.01234 3.01624 Beta virt. eigenvalues -- 3.01927 3.02880 3.03145 3.03707 3.03968 Beta virt. eigenvalues -- 3.04892 3.05450 3.05654 3.06279 3.06625 Beta virt. eigenvalues -- 3.06920 3.07394 3.07919 3.08088 3.08702 Beta virt. eigenvalues -- 3.09045 3.09304 3.09642 3.09820 3.10736 Beta virt. eigenvalues -- 3.11116 3.11934 3.12134 3.12947 3.13164 Beta virt. eigenvalues -- 3.13977 3.14351 3.14739 3.15382 3.15493 Beta virt. eigenvalues -- 3.16014 3.16301 3.16632 3.17425 3.17624 Beta virt. eigenvalues -- 3.18339 3.18531 3.19035 3.19417 3.20675 Beta virt. eigenvalues -- 3.21298 3.21488 3.22396 3.22582 3.23144 Beta virt. eigenvalues -- 3.23774 3.24320 3.24699 3.24956 3.26160 Beta virt. eigenvalues -- 3.26599 3.27950 3.28339 3.29001 3.29317 Beta virt. eigenvalues -- 3.30149 3.31221 3.32602 3.32703 3.33692 Beta virt. eigenvalues -- 3.34086 3.34609 3.35090 3.35896 3.36209 Beta virt. eigenvalues -- 3.36966 3.37354 3.37988 3.38052 3.39067 Beta virt. eigenvalues -- 3.40332 3.40362 3.41360 3.41803 3.42662 Beta virt. eigenvalues -- 3.43253 3.44165 3.44523 3.45046 3.45926 Beta virt. eigenvalues -- 3.46952 3.47472 3.48466 3.48858 3.49795 Beta virt. eigenvalues -- 3.49934 3.50739 3.50937 3.52217 3.52714 Beta virt. eigenvalues -- 3.52880 3.53883 3.54655 3.55471 3.56231 Beta virt. eigenvalues -- 3.56954 3.57325 3.57907 3.58328 3.58956 Beta virt. eigenvalues -- 3.59943 3.61832 3.61979 3.63183 3.63300 Beta virt. eigenvalues -- 3.63863 3.64553 3.65959 3.66770 3.67363 Beta virt. eigenvalues -- 3.68593 3.68633 3.69713 3.70213 3.71120 Beta virt. eigenvalues -- 3.71325 3.72341 3.72993 3.73280 3.73730 Beta virt. eigenvalues -- 3.74042 3.75212 3.76170 3.76648 3.77085 Beta virt. eigenvalues -- 3.77955 3.78086 3.78714 3.78728 3.79654 Beta virt. eigenvalues -- 3.80365 3.81050 3.81234 3.81907 3.82395 Beta virt. eigenvalues -- 3.82734 3.82919 3.83518 3.84284 3.84512 Beta virt. eigenvalues -- 3.84965 3.85650 3.85981 3.87494 3.87947 Beta virt. eigenvalues -- 3.89173 3.89774 3.90569 3.91043 3.92204 Beta virt. eigenvalues -- 3.92742 3.93193 3.93684 3.94259 3.94679 Beta virt. eigenvalues -- 3.95724 3.96454 3.96925 3.97169 3.98282 Beta virt. eigenvalues -- 3.98992 3.99929 4.00466 4.01816 4.02304 Beta virt. eigenvalues -- 4.03218 4.03669 4.05324 4.05597 4.06215 Beta virt. eigenvalues -- 4.06554 4.08022 4.09459 4.09830 4.10309 Beta virt. eigenvalues -- 4.10809 4.11433 4.12509 4.13133 4.14030 Beta virt. eigenvalues -- 4.15190 4.15764 4.16297 4.16724 4.17353 Beta virt. eigenvalues -- 4.18600 4.19255 4.20111 4.21260 4.21557 Beta virt. eigenvalues -- 4.22296 4.22957 4.23689 4.23790 4.24817 Beta virt. eigenvalues -- 4.24954 4.26088 4.26370 4.26831 4.28275 Beta virt. eigenvalues -- 4.30746 4.31799 4.32659 4.35073 4.36028 Beta virt. eigenvalues -- 4.37817 4.38143 4.39958 4.41138 4.42927 Beta virt. eigenvalues -- 4.44600 4.45310 4.45891 4.48000 4.50813 Beta virt. eigenvalues -- 4.51235 4.51754 4.53303 4.54939 4.56300 Beta virt. eigenvalues -- 4.59523 4.62634 4.64646 4.66405 4.66655 Beta virt. eigenvalues -- 4.69258 4.70767 4.71619 4.72503 4.73487 Beta virt. eigenvalues -- 4.74298 4.74737 4.76286 4.76579 4.78779 Beta virt. eigenvalues -- 4.79538 4.80521 4.81201 4.82004 4.86207 Beta virt. eigenvalues -- 4.86341 4.88351 4.91316 4.92657 4.92797 Beta virt. eigenvalues -- 4.93775 5.00426 5.02926 5.05049 5.05677 Beta virt. eigenvalues -- 5.06992 5.09214 5.20165 5.21196 5.27108 Beta virt. eigenvalues -- 5.29016 5.30864 5.39627 5.40955 5.43013 Beta virt. eigenvalues -- 5.44143 5.46028 5.47575 5.47940 5.49027 Beta virt. eigenvalues -- 5.49860 5.51493 5.52224 5.56992 5.58951 Beta virt. eigenvalues -- 5.63104 5.64201 5.66050 5.66503 5.67227 Beta virt. eigenvalues -- 5.70986 5.72902 5.74157 5.75557 5.76104 Beta virt. eigenvalues -- 5.78197 5.81273 5.82057 5.83447 5.84842 Beta virt. eigenvalues -- 5.88241 5.91261 5.93100 5.93730 5.94093 Beta virt. eigenvalues -- 5.96389 5.97489 5.98280 5.99630 6.01088 Beta virt. eigenvalues -- 6.03224 6.03664 6.04516 6.05941 6.07133 Beta virt. eigenvalues -- 6.10946 6.11708 6.12620 6.13947 6.15154 Beta virt. eigenvalues -- 6.15715 6.17025 6.17155 6.18620 6.20835 Beta virt. eigenvalues -- 6.21284 6.21939 6.22360 6.23226 6.25169 Beta virt. eigenvalues -- 6.25367 6.26929 6.27439 6.29161 6.29714 Beta virt. eigenvalues -- 6.30937 6.32430 6.33092 6.33775 6.35163 Beta virt. eigenvalues -- 6.35776 6.36300 6.38699 6.38719 6.39296 Beta virt. eigenvalues -- 6.40013 6.40462 6.41020 6.41965 6.42853 Beta virt. eigenvalues -- 6.43674 6.43998 6.45218 6.48202 6.48832 Beta virt. eigenvalues -- 6.50584 6.51702 6.52335 6.54192 6.55735 Beta virt. eigenvalues -- 6.56741 6.56923 6.57751 6.58289 6.58671 Beta virt. eigenvalues -- 6.59146 6.60015 6.60459 6.60877 6.60965 Beta virt. eigenvalues -- 6.61919 6.62362 6.63180 6.64224 6.64783 Beta virt. eigenvalues -- 6.65986 6.67631 6.69191 6.70637 6.71480 Beta virt. eigenvalues -- 6.72063 6.72632 6.73385 6.74059 6.75032 Beta virt. eigenvalues -- 6.75854 6.76980 6.78081 6.78477 6.79222 Beta virt. eigenvalues -- 6.81046 6.81351 6.81776 6.81927 6.82512 Beta virt. eigenvalues -- 6.83511 6.83990 6.84582 6.84945 6.85549 Beta virt. eigenvalues -- 6.86133 6.87417 6.88806 6.89992 6.91713 Beta virt. eigenvalues -- 6.93491 6.94300 6.94306 6.94928 6.96297 Beta virt. eigenvalues -- 6.97644 6.97935 6.99295 7.00889 7.01715 Beta virt. eigenvalues -- 7.04526 7.05403 7.05537 7.06612 7.07027 Beta virt. eigenvalues -- 7.07964 7.08618 7.09755 7.11414 7.12269 Beta virt. eigenvalues -- 7.12823 7.13281 7.14017 7.14460 7.15103 Beta virt. eigenvalues -- 7.15845 7.17908 7.18681 7.19718 7.20336 Beta virt. eigenvalues -- 7.20884 7.22052 7.22730 7.23740 7.23911 Beta virt. eigenvalues -- 7.25016 7.28809 7.28907 7.29981 7.30667 Beta virt. eigenvalues -- 7.32034 7.33044 7.34239 7.34698 7.35595 Beta virt. eigenvalues -- 7.36781 7.38081 7.39021 7.43912 7.44879 Beta virt. eigenvalues -- 7.46988 7.49061 7.49681 7.51083 7.54134 Beta virt. eigenvalues -- 7.54734 7.55623 7.56787 7.57273 7.59670 Beta virt. eigenvalues -- 7.60104 7.61214 7.62976 7.65397 7.66426 Beta virt. eigenvalues -- 7.69959 7.70260 7.70909 7.71240 7.72790 Beta virt. eigenvalues -- 7.73580 7.80427 7.82529 7.87204 7.89758 Beta virt. eigenvalues -- 7.90533 7.91427 7.93104 7.94930 7.95463 Beta virt. eigenvalues -- 7.97404 7.98446 7.99943 8.00464 8.01146 Beta virt. eigenvalues -- 8.02737 8.05151 8.05835 8.06522 8.11825 Beta virt. eigenvalues -- 8.12336 8.13507 8.14112 8.17330 8.18840 Beta virt. eigenvalues -- 8.19623 8.20209 8.20715 8.22057 8.22567 Beta virt. eigenvalues -- 8.23937 8.25046 8.27878 8.29989 8.31387 Beta virt. eigenvalues -- 8.35592 8.40030 8.40742 8.41609 8.42297 Beta virt. eigenvalues -- 8.42727 8.44762 8.46967 8.48239 8.48664 Beta virt. eigenvalues -- 8.49568 8.50549 8.50687 8.51008 8.52148 Beta virt. eigenvalues -- 8.53602 8.54048 8.55043 8.56067 8.56909 Beta virt. eigenvalues -- 8.57522 8.58524 8.59814 8.60633 8.61295 Beta virt. eigenvalues -- 8.64692 8.65016 8.65575 8.66444 8.66826 Beta virt. eigenvalues -- 8.68313 8.69430 8.72026 8.73548 8.74259 Beta virt. eigenvalues -- 8.75016 8.75857 8.76084 8.77600 8.79934 Beta virt. eigenvalues -- 8.82444 8.84539 8.85616 8.85972 8.86269 Beta virt. eigenvalues -- 8.87676 8.88448 8.88636 8.89196 8.90468 Beta virt. eigenvalues -- 8.90696 8.91757 8.93038 8.93656 8.94673 Beta virt. eigenvalues -- 8.97820 8.98480 8.99102 8.99725 9.00175 Beta virt. eigenvalues -- 9.01015 9.06865 9.08753 9.09132 9.10565 Beta virt. eigenvalues -- 9.10785 9.11382 9.11866 9.12110 9.12678 Beta virt. eigenvalues -- 9.14535 9.14941 9.15570 9.16950 9.17144 Beta virt. eigenvalues -- 9.18834 9.20334 9.21211 9.21805 9.22661 Beta virt. eigenvalues -- 9.23022 9.23539 9.24275 9.24803 9.25151 Beta virt. eigenvalues -- 9.25847 9.25904 9.26757 9.26947 9.27812 Beta virt. eigenvalues -- 9.28517 9.29089 9.29824 9.30441 9.30876 Beta virt. eigenvalues -- 9.31829 9.32292 9.34346 9.35108 9.35606 Beta virt. eigenvalues -- 9.36111 9.36905 9.38204 9.39790 9.41292 Beta virt. eigenvalues -- 9.42447 9.44016 9.44962 9.46306 9.47523 Beta virt. eigenvalues -- 9.48212 9.49504 9.50419 9.51001 9.53101 Beta virt. eigenvalues -- 9.56748 9.57805 9.59380 9.60671 9.62626 Beta virt. eigenvalues -- 9.64567 9.65444 9.66125 9.67714 9.69742 Beta virt. eigenvalues -- 9.70366 9.71845 9.72995 9.73167 9.73921 Beta virt. eigenvalues -- 9.74255 9.76105 9.76980 9.77354 9.78637 Beta virt. eigenvalues -- 9.79535 9.80810 9.81483 9.81689 9.82934 Beta virt. eigenvalues -- 9.83749 9.85012 9.85728 9.86300 9.87107 Beta virt. eigenvalues -- 9.88680 9.91016 9.91605 9.99632 10.06415 Beta virt. eigenvalues -- 10.19637 10.21543 10.23485 10.26995 10.28287 Beta virt. eigenvalues -- 10.32313 10.35417 10.39162 10.41139 10.42427 Beta virt. eigenvalues -- 10.43976 10.46965 10.48021 10.52009 10.60900 Beta virt. eigenvalues -- 10.63762 10.63812 10.64567 10.66835 10.68101 Beta virt. eigenvalues -- 10.70830 10.73284 10.73709 10.73826 10.74460 Beta virt. eigenvalues -- 10.75144 10.75586 10.75728 10.76148 10.76207 Beta virt. eigenvalues -- 10.78552 10.79722 10.80187 10.81307 10.91706 Beta virt. eigenvalues -- 10.92991 11.15700 11.16326 11.21790 11.22596 Beta virt. eigenvalues -- 11.23198 11.23860 11.25908 11.29024 11.43506 Beta virt. eigenvalues -- 11.44565 11.52012 11.52484 11.54523 11.72481 Beta virt. eigenvalues -- 11.76157 12.79099 12.82448 12.84362 12.87999 Beta virt. eigenvalues -- 12.89029 12.95439 12.96929 13.03233 13.20750 Beta virt. eigenvalues -- 13.55591 13.72573 13.73547 13.86378 13.87937 Beta virt. eigenvalues -- 13.88925 14.06439 14.08766 14.29898 19.04692 Beta virt. eigenvalues -- 19.10148 19.17413 21.94927 25.15571 25.30715 Beta virt. eigenvalues -- 25.40647 25.54052 25.62802 29.05030 29.12192 Beta virt. eigenvalues -- 29.16156 29.19549 29.21003 29.23696 29.24235 Beta virt. eigenvalues -- 29.27895 29.30529 29.32813 29.38657 29.45086 Beta virt. eigenvalues -- 29.47254 29.47953 29.51632 29.53946 29.75843 Beta virt. eigenvalues -- 30.13946 30.15515 30.30452 30.36111 30.38158 Beta virt. eigenvalues -- 30.40175 30.43700 73.20784 85.80071 85.95193 Beta virt. eigenvalues -- 86.05435 86.18113 86.26655 92.33304 141.95149 Beta virt. eigenvalues -- 142.32165 142.33976 142.47388 142.49715 142.50088 Beta virt. eigenvalues -- 142.58546 142.62359 375.11836 441.58107 441.81659 Beta virt. eigenvalues -- 441.98482 442.19204 442.33184 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Tc 16.573900 0.090824 0.020215 -0.020170 0.016585 0.096405 2 S 0.090824 15.963381 0.040073 -0.051425 0.002979 0.004527 3 S 0.020215 0.040073 15.925681 0.102170 -0.069457 0.002114 4 S -0.020170 -0.051425 0.102170 15.895280 0.103058 -0.056079 5 S 0.016585 0.002979 -0.069457 0.103058 15.915385 0.051577 6 S 0.096405 0.004527 0.002114 -0.056079 0.051577 15.914302 7 C -0.051786 0.002709 0.000112 0.000112 0.000231 -0.023380 8 C -0.102735 0.011433 -0.001622 -0.000242 -0.000260 0.000883 9 C -0.060358 -0.001514 -0.000167 0.000042 0.000192 -0.000105 10 P -0.288708 0.038800 0.001587 0.007220 -0.003218 0.080409 11 C -0.310224 -0.007816 -0.008644 -0.007961 -0.008668 -0.010382 12 C -0.221957 -0.005377 0.009642 0.000745 -0.036513 -0.007041 13 C -0.119562 0.002519 0.000509 0.000424 0.002043 0.012408 14 C -0.177066 0.005164 0.003450 0.000346 0.000697 0.002425 15 C -0.250950 -0.006760 -0.044097 -0.000445 0.009319 -0.005321 16 H 0.010734 -0.000064 -0.000007 0.000014 0.000044 0.000906 17 H -0.006253 -0.000035 -0.000003 -0.000002 -0.000053 -0.003025 18 H 0.001882 -0.000123 -0.000009 0.000029 -0.000393 -0.000547 19 H 0.004501 0.001885 -0.000008 0.000031 0.000013 -0.000070 20 H 0.003989 -0.005665 0.000203 -0.000229 0.000077 -0.000474 21 H 0.004978 -0.004191 -0.000029 -0.000014 -0.000047 -0.000055 22 H 0.014193 0.000264 0.000006 0.000002 -0.000005 0.000026 23 H 0.008735 0.000084 0.000074 0.000012 -0.000013 0.000044 24 H -0.019684 -0.000181 -0.000018 -0.000003 -0.000007 0.000126 25 H 0.034185 0.002218 -0.014507 0.001253 -0.014621 0.002012 26 H -0.010779 -0.000389 0.000702 0.000986 0.004070 0.008218 27 H 0.010792 -0.000086 0.000204 -0.000043 0.000178 -0.003211 28 H -0.001097 0.005864 0.003506 0.001046 0.000977 -0.000413 29 H 0.016911 -0.003597 0.000160 -0.000042 0.000176 0.000005 7 8 9 10 11 12 1 Tc -0.051786 -0.102735 -0.060358 -0.288708 -0.310224 -0.221957 2 S 0.002709 0.011433 -0.001514 0.038800 -0.007816 -0.005377 3 S 0.000112 -0.001622 -0.000167 0.001587 -0.008644 0.009642 4 S 0.000112 -0.000242 0.000042 0.007220 -0.007961 0.000745 5 S 0.000231 -0.000260 0.000192 -0.003218 -0.008668 -0.036513 6 S -0.023380 0.000883 -0.000105 0.080409 -0.010382 -0.007041 7 C 4.879668 -0.047145 -0.039897 0.316820 0.000153 0.000834 8 C -0.047145 4.878711 -0.049657 0.398829 0.001221 0.000494 9 C -0.039897 -0.049657 4.834597 0.359820 -0.000897 0.000974 10 P 0.316820 0.398829 0.359820 14.976499 0.005644 -0.006273 11 C 0.000153 0.001221 -0.000897 0.005644 5.424404 0.382401 12 C 0.000834 0.000494 0.000974 -0.006273 0.382401 5.378045 13 C -0.002421 -0.000266 -0.005607 -0.002882 -0.026548 0.330989 14 C 0.003816 -0.002275 -0.011527 -0.000325 -0.026710 0.023323 15 C -0.000248 0.000310 0.000351 0.001834 0.403828 -0.068590 16 H 0.362483 -0.009508 -0.006869 -0.002352 -0.000054 -0.000173 17 H 0.386373 0.006617 -0.003832 -0.031031 0.000362 0.000667 18 H 0.373282 -0.003811 0.005647 -0.040471 -0.000005 0.000140 19 H -0.009342 0.359692 -0.007688 0.003814 -0.000046 -0.000021 20 H -0.002411 0.383113 0.005999 -0.029661 0.000023 -0.000007 21 H 0.005289 0.369506 -0.003415 -0.041751 0.000023 0.000054 22 H -0.004710 -0.006648 0.362239 -0.017968 -0.000008 -0.000010 23 H 0.006191 -0.003993 0.388851 -0.045921 0.000039 -0.000081 24 H -0.003760 0.006872 0.362891 -0.026301 0.000108 0.000182 25 H 0.000006 0.000010 -0.000002 -0.000469 0.345685 -0.027890 26 H 0.000051 -0.000084 0.000088 0.000934 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0.000237 -0.004162 -0.000009 14 C 0.241245 5.354129 0.352323 0.000025 -0.000435 0.000100 15 C 0.018652 0.352323 5.371417 0.000014 0.000065 0.000039 16 H 0.000237 0.000025 0.000014 0.594681 -0.025824 -0.018766 17 H -0.004162 -0.000435 0.000065 -0.025824 0.559553 -0.017968 18 H -0.000009 0.000100 0.000039 -0.018766 -0.017968 0.544005 19 H 0.000030 0.000057 -0.000022 0.000913 0.000116 -0.001532 20 H -0.000042 -0.000031 0.000033 -0.000857 0.000087 -0.000714 21 H 0.000021 0.000170 -0.000042 0.000113 -0.000076 -0.000044 22 H -0.000204 0.001288 -0.000055 0.000626 -0.000681 0.000062 23 H 0.000354 -0.004466 -0.000199 -0.000048 -0.000167 -0.000026 24 H -0.001885 -0.005408 0.000726 -0.001635 -0.000169 0.000083 25 H 0.003154 0.001576 -0.028651 -0.000001 0.000003 -0.000003 26 H -0.013117 0.009618 0.005337 0.000035 -0.000254 -0.000063 27 H 0.334565 -0.058188 0.012119 -0.000154 0.002572 0.000192 28 H 0.007145 -0.019001 0.344949 0.000002 0.000004 0.000002 29 H -0.043355 0.357611 -0.028198 -0.000025 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0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 Tc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 P 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 27 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 14 15 16 17 18 1 Tc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 P 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 27 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 20 21 22 23 24 1 Tc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 P 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 27 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 26 27 28 29 1 Tc 0.000000 0.000000 0.000000 0.000000 0.000000 2 S 0.000000 0.000000 0.000000 0.000000 0.000000 3 S 0.000000 0.000000 0.000000 0.000000 0.000000 4 S 0.000000 0.000000 0.000000 0.000000 0.000000 5 S 0.000000 0.000000 0.000000 0.000000 0.000000 6 S 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 10 P 0.000000 0.000000 0.000000 0.000000 0.000000 11 C 0.000000 0.000000 0.000000 0.000000 0.000000 12 C 0.000000 0.000000 0.000000 0.000000 0.000000 13 C 0.000000 0.000000 0.000000 0.000000 0.000000 14 C 0.000000 0.000000 0.000000 0.000000 0.000000 15 C 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 21 H 0.000000 0.000000 0.000000 0.000000 0.000000 22 H 0.000000 0.000000 0.000000 0.000000 0.000000 23 H 0.000000 0.000000 0.000000 0.000000 0.000000 24 H 0.000000 0.000000 0.000000 0.000000 0.000000 25 H 0.000000 0.000000 0.000000 0.000000 0.000000 26 H 0.000000 0.000000 0.000000 0.000000 0.000000 27 H 0.000000 0.000000 0.000000 0.000000 0.000000 28 H 0.000000 0.000000 0.000000 0.000000 0.000000 29 H 0.000000 0.000000 0.000000 0.000000 0.000000 Mulliken charges and spin densities: 1 2 1 Tc -0.267496 0.000000 2 S -0.085498 0.000000 3 S 0.028161 0.000000 4 S 0.023886 0.000000 5 S 0.025653 0.000000 6 S -0.066283 0.000000 7 C -0.153580 0.000000 8 C -0.189398 0.000000 9 C -0.137793 0.000000 10 P -0.647744 0.000000 11 C -0.089518 0.000000 12 C -0.096027 0.000000 13 C 0.029140 0.000000 14 C -0.051929 0.000000 15 C -0.087736 0.000000 16 H 0.095511 0.000000 17 H 0.137656 0.000000 18 H 0.158998 0.000000 19 H 0.095727 0.000000 20 H 0.129754 0.000000 21 H 0.143918 0.000000 22 H 0.103966 0.000000 23 H 0.125897 0.000000 24 H 0.124324 0.000000 25 H 0.171717 0.000000 26 H 0.129849 0.000000 27 H 0.094388 0.000000 28 H 0.124076 0.000000 29 H 0.130382 0.000000 Sum of Mulliken charges = -0.00000 0.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 Tc -0.267496 0.000000 2 S -0.085498 0.000000 3 S 0.028161 0.000000 4 S 0.023886 0.000000 5 S 0.025653 0.000000 6 S -0.066283 0.000000 7 C 0.238585 0.000000 8 C 0.180000 0.000000 9 C 0.216394 0.000000 10 P -0.647744 0.000000 11 C 0.082199 0.000000 12 C 0.033822 0.000000 13 C 0.123528 0.000000 14 C 0.078453 0.000000 15 C 0.036340 0.000000 Mulliken charges and spin densities condensed to fragments: 1 0.074082 0.000000 2 -0.074082 0.000000 Electronic spatial extent (au): = 5013.6508 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 5.2253 Y= 1.6202 Z= 0.1226 Tot= 5.4721 Quadrupole moment (field-independent basis, Debye-Ang): XX= -145.5295 YY= -150.7977 ZZ= -154.9879 XY= -5.7274 XZ= -0.5668 YZ= 0.4326 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 4.9088 YY= -0.3593 ZZ= -4.5495 XY= -5.7274 XZ= -0.5668 YZ= 0.4326 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 56.8528 YYY= -2.8205 ZZZ= 2.2687 XYY= 11.1450 XXY= 4.1205 XXZ= 0.0222 XZZ= 13.7603 YZZ= 17.9892 YYZ= -2.9606 XYZ= 0.2816 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -3625.7599 YYYY= -1982.1768 ZZZZ= -1608.6642 XXXY= -37.1898 XXXZ= -2.8032 YYYX= -21.0981 YYYZ= -11.0678 ZZZX= -5.3940 ZZZY= 4.7598 XXYY= -897.1594 XXZZ= -879.4637 YYZZ= -568.8614 XXYZ= 4.1788 YYXZ= 0.3201 ZZXY= -3.5772 N-N= 2.178698679508D+03 E-N=-1.079565366614D+04 KE= 2.671889193013D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 2 S(33) 0.00000 0.00000 0.00000 0.00000 3 S(33) 0.00000 0.00000 0.00000 0.00000 4 S(33) 0.00000 0.00000 0.00000 0.00000 5 S(33) 0.00000 0.00000 0.00000 0.00000 6 S(33) 0.00000 0.00000 0.00000 0.00000 7 C(13) 0.00000 0.00000 0.00000 0.00000 8 C(13) 0.00000 0.00000 0.00000 0.00000 9 C(13) 0.00000 0.00000 0.00000 0.00000 10 P(31) 0.00000 0.00000 0.00000 0.00000 11 C(13) 0.00000 0.00000 0.00000 0.00000 12 C(13) 0.00000 0.00000 0.00000 0.00000 13 C(13) 0.00000 0.00000 0.00000 0.00000 14 C(13) 0.00000 0.00000 0.00000 0.00000 15 C(13) 0.00000 0.00000 0.00000 0.00000 16 H(1) 0.00000 0.00000 0.00000 0.00000 17 H(1) 0.00000 0.00000 0.00000 0.00000 18 H(1) 0.00000 0.00000 0.00000 0.00000 19 H(1) 0.00000 0.00000 0.00000 0.00000 20 H(1) 0.00000 0.00000 0.00000 0.00000 21 H(1) 0.00000 0.00000 0.00000 0.00000 22 H(1) 0.00000 0.00000 0.00000 0.00000 23 H(1) 0.00000 0.00000 0.00000 0.00000 24 H(1) 0.00000 0.00000 0.00000 0.00000 25 H(1) 0.00000 0.00000 0.00000 0.00000 26 H(1) 0.00000 0.00000 0.00000 0.00000 27 H(1) 0.00000 0.00000 0.00000 0.00000 28 H(1) 0.00000 0.00000 0.00000 0.00000 29 H(1) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 13 Atom 0.000000 0.000000 0.000000 14 Atom 0.000000 0.000000 0.000000 15 Atom 0.000000 0.000000 0.000000 16 Atom 0.000000 0.000000 0.000000 17 Atom 0.000000 0.000000 0.000000 18 Atom 0.000000 0.000000 0.000000 19 Atom 0.000000 0.000000 0.000000 20 Atom 0.000000 0.000000 0.000000 21 Atom 0.000000 0.000000 0.000000 22 Atom 0.000000 0.000000 0.000000 23 Atom 0.000000 0.000000 0.000000 24 Atom 0.000000 0.000000 0.000000 25 Atom 0.000000 0.000000 0.000000 26 Atom 0.000000 0.000000 0.000000 27 Atom 0.000000 0.000000 0.000000 28 Atom 0.000000 0.000000 0.000000 29 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 13 Atom 0.000000 0.000000 0.000000 14 Atom 0.000000 0.000000 0.000000 15 Atom 0.000000 0.000000 0.000000 16 Atom 0.000000 0.000000 0.000000 17 Atom 0.000000 0.000000 0.000000 18 Atom 0.000000 0.000000 0.000000 19 Atom 0.000000 0.000000 0.000000 20 Atom 0.000000 0.000000 0.000000 21 Atom 0.000000 0.000000 0.000000 22 Atom 0.000000 0.000000 0.000000 23 Atom 0.000000 0.000000 0.000000 24 Atom 0.000000 0.000000 0.000000 25 Atom 0.000000 0.000000 0.000000 26 Atom 0.000000 0.000000 0.000000 27 Atom 0.000000 0.000000 0.000000 28 Atom 0.000000 0.000000 0.000000 29 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 2 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 3 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 4 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 5 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 6 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 7 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 8 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 9 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 10 P(31) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 11 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 12 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 13 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 14 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 15 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 16 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 17 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 18 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 19 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 20 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 21 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 22 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 23 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 24 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 25 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 26 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 27 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 28 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 29 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 --------------------------------------------------------------------------------- Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EIn" output file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EOu" message file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 430 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 430 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 430 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 690 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1290 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 29 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 68 to matrix element file. Write BOND TYPES from file 0 offset 0 length 68 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 116 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 29 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 29 to matrix element file. Write INTEGER FRAGMENT from file 0 offset 0 length 29 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 29 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 29 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 29 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 29 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 29 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 87 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 87 to matrix element file. Write ELECTRONS PER FRAGMENT from file 0 offset 0 length 8 to matrix element file. Write BASIS FUNCTIONS PER FRAGMENT from file 0 offset 0 length 96 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 958420 length 958420 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 958420 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1915456 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2875260 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1915456 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1915456 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 958420 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 958420 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 958420 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write INTEGER PARAMETERS from file 0 offset 0 length 4 to matrix element file. No 2e integrals to process. Perform NBO analysis...executing G16NBO... *********************************** NBO 7.0 *********************************** N A T U R A L A T O M I C O R B I T A L A N D N A T U R A L B O N D O R B I T A L A N A L Y S I S *********************** Santiago Lacalle Puig (S102540) *********************** (c) Copyright 1996-2021 Board of Regents of the University of Wisconsin System on behalf of the Theoretical Chemistry Institute. All rights reserved. Cite this program [NBO 7.0.10 (8-Feb-2021)] as: NBO 7.0. E. D. Glendening, J. K. Badenhoop, A. E. Reed, J. E. Carpenter, J. A. Bohmann, C. M. Morales, P. Karafiloglou, C. R. Landis, and F. Weinhold, Theoretical Chemistry Institute, University of Wisconsin, Madison, WI (2018) /MCB / : Search for 3-center NBOs /AONBO / : Checkpoint the AO to NBO transformation NBOs sorted by occupancy /BNDIDX / : Print bond indices based on the NAO density matrix Filename set to /rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau- Job title: CMPSCO NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Spin ----------------------------------------------------- 1 Tc 1 s Cor( 4s) 1.99994 0.00000 2 Tc 1 s Val( 5s) 0.36013 0.00000 3 Tc 1 s Ryd( 6s) 0.00338 0.00000 4 Tc 1 s Ryd( 9s) 0.00123 0.00000 5 Tc 1 s Ryd( 8s) 0.00014 0.00000 6 Tc 1 s Ryd( 7s) 0.00004 0.00000 7 Tc 1 s Ryd(10s) 0.00000 0.00000 8 Tc 1 px Cor( 4p) 1.99983 0.00000 9 Tc 1 px Ryd( 6p) 0.00731 0.00000 10 Tc 1 px Ryd( 8p) 0.00085 0.00000 11 Tc 1 px Ryd( 5p) 0.00010 0.00000 12 Tc 1 px Ryd( 7p) 0.00008 0.00000 13 Tc 1 py Cor( 4p) 1.99981 0.00000 14 Tc 1 py Ryd( 6p) 0.00239 0.00000 15 Tc 1 py Ryd( 8p) 0.00096 0.00000 16 Tc 1 py Ryd( 5p) 0.00027 0.00000 17 Tc 1 py Ryd( 7p) 0.00003 0.00000 18 Tc 1 pz Cor( 4p) 1.99981 0.00000 19 Tc 1 pz Ryd( 6p) 0.00379 0.00000 20 Tc 1 pz Ryd( 8p) 0.00118 0.00000 21 Tc 1 pz Ryd( 5p) 0.00024 0.00000 22 Tc 1 pz Ryd( 7p) 0.00004 0.00000 23 Tc 1 dxy Val( 4d) 1.09330 0.00000 24 Tc 1 dxy Ryd( 5d) 0.00509 0.00000 25 Tc 1 dxy Ryd( 6d) 0.00039 0.00000 26 Tc 1 dxy Ryd( 7d) 0.00007 0.00000 27 Tc 1 dxz Val( 4d) 1.71768 0.00000 28 Tc 1 dxz Ryd( 5d) 0.00495 0.00000 29 Tc 1 dxz Ryd( 6d) 0.00095 0.00000 30 Tc 1 dxz Ryd( 7d) 0.00001 0.00000 31 Tc 1 dyz Val( 4d) 1.12172 0.00000 32 Tc 1 dyz Ryd( 5d) 0.00339 0.00000 33 Tc 1 dyz Ryd( 6d) 0.00052 0.00000 34 Tc 1 dyz Ryd( 7d) 0.00010 0.00000 35 Tc 1 dx2y2 Val( 4d) 1.80458 0.00000 36 Tc 1 dx2y2 Ryd( 5d) 0.00452 0.00000 37 Tc 1 dx2y2 Ryd( 6d) 0.00049 0.00000 38 Tc 1 dx2y2 Ryd( 7d) 0.00006 0.00000 39 Tc 1 dz2 Val( 4d) 1.05915 0.00000 40 Tc 1 dz2 Ryd( 5d) 0.00565 0.00000 41 Tc 1 dz2 Ryd( 6d) 0.00034 0.00000 42 Tc 1 dz2 Ryd( 7d) 0.00005 0.00000 43 Tc 1 f(0) Ryd( 4f) 0.00115 0.00000 44 Tc 1 f(0) Ryd( 5f) 0.00094 0.00000 45 Tc 1 f(0) Ryd( 6f) 0.00009 0.00000 46 Tc 1 f(0) Ryd( 7f) 0.00001 0.00000 47 Tc 1 f(c1) Ryd( 4f) 0.00402 0.00000 48 Tc 1 f(c1) Ryd( 5f) 0.00079 0.00000 49 Tc 1 f(c1) Ryd( 6f) 0.00010 0.00000 50 Tc 1 f(c1) Ryd( 7f) 0.00000 0.00000 51 Tc 1 f(s1) Ryd( 4f) 0.00307 0.00000 52 Tc 1 f(s1) Ryd( 5f) 0.00108 0.00000 53 Tc 1 f(s1) Ryd( 6f) 0.00008 0.00000 54 Tc 1 f(s1) Ryd( 7f) 0.00000 0.00000 55 Tc 1 f(c2) Ryd( 4f) 0.00299 0.00000 56 Tc 1 f(c2) Ryd( 5f) 0.00066 0.00000 57 Tc 1 f(c2) Ryd( 6f) 0.00010 0.00000 58 Tc 1 f(c2) Ryd( 7f) 0.00001 0.00000 59 Tc 1 f(s2) Ryd( 4f) 0.00302 0.00000 60 Tc 1 f(s2) Ryd( 5f) 0.00052 0.00000 61 Tc 1 f(s2) Ryd( 6f) 0.00011 0.00000 62 Tc 1 f(s2) Ryd( 7f) 0.00000 0.00000 63 Tc 1 f(c3) Ryd( 4f) 0.00230 0.00000 64 Tc 1 f(c3) Ryd( 5f) 0.00049 0.00000 65 Tc 1 f(c3) Ryd( 6f) 0.00010 0.00000 66 Tc 1 f(c3) Ryd( 7f) 0.00001 0.00000 67 Tc 1 f(s3) Ryd( 4f) 0.00256 0.00000 68 Tc 1 f(s3) Ryd( 5f) 0.00057 0.00000 69 Tc 1 f(s3) Ryd( 6f) 0.00007 0.00000 70 Tc 1 f(s3) Ryd( 7f) 0.00000 0.00000 71 Tc 1 g(0) Ryd( 5g) 0.00021 0.00000 72 Tc 1 g(0) Ryd( 6g) 0.00001 0.00000 73 Tc 1 g(c1) Ryd( 5g) 0.00012 0.00000 74 Tc 1 g(c1) Ryd( 6g) 0.00001 0.00000 75 Tc 1 g(s1) Ryd( 5g) 0.00017 0.00000 76 Tc 1 g(s1) Ryd( 6g) 0.00001 0.00000 77 Tc 1 g(c2) Ryd( 5g) 0.00024 0.00000 78 Tc 1 g(c2) Ryd( 6g) 0.00001 0.00000 79 Tc 1 g(s2) Ryd( 5g) 0.00032 0.00000 80 Tc 1 g(s2) Ryd( 6g) 0.00001 0.00000 81 Tc 1 g(c3) Ryd( 5g) 0.00035 0.00000 82 Tc 1 g(c3) Ryd( 6g) 0.00000 0.00000 83 Tc 1 g(s3) Ryd( 5g) 0.00010 0.00000 84 Tc 1 g(s3) Ryd( 6g) 0.00001 0.00000 85 Tc 1 g(c4) Ryd( 5g) 0.00019 0.00000 86 Tc 1 g(c4) Ryd( 6g) 0.00001 0.00000 87 Tc 1 g(s4) Ryd( 5g) 0.00013 0.00000 88 Tc 1 g(s4) Ryd( 6g) 0.00002 0.00000 89 S 2 s Cor( 1s) 2.00000 0.00000 90 S 2 s Cor( 2s) 2.00000 0.00000 91 S 2 s Val( 3s) 1.77243 0.00000 92 S 2 s Ryd( 4s) 0.00252 0.00000 93 S 2 s Ryd( 5s) 0.00008 0.00000 94 S 2 s Ryd( 6s) 0.00000 0.00000 95 S 2 s Ryd( 7s) 0.00000 0.00000 96 S 2 s Ryd( 9s) 0.00000 0.00000 97 S 2 s Ryd( 8s) 0.00000 0.00000 98 S 2 px Cor( 2p) 2.00000 0.00000 99 S 2 px Val( 3p) 1.01448 0.00000 100 S 2 px Ryd( 4p) 0.00321 0.00000 101 S 2 px Ryd( 5p) 0.00019 0.00000 102 S 2 px Ryd( 6p) 0.00001 0.00000 103 S 2 px Ryd( 7p) 0.00000 0.00000 104 S 2 py Cor( 2p) 2.00000 0.00000 105 S 2 py Val( 3p) 1.58050 0.00000 106 S 2 py Ryd( 4p) 0.00308 0.00000 107 S 2 py Ryd( 5p) 0.00021 0.00000 108 S 2 py Ryd( 6p) 0.00001 0.00000 109 S 2 py Ryd( 7p) 0.00000 0.00000 110 S 2 pz Cor( 2p) 1.99999 0.00000 111 S 2 pz Val( 3p) 1.64162 0.00000 112 S 2 pz Ryd( 4p) 0.00221 0.00000 113 S 2 pz Ryd( 5p) 0.00023 0.00000 114 S 2 pz Ryd( 6p) 0.00001 0.00000 115 S 2 pz Ryd( 7p) 0.00000 0.00000 116 S 2 dxy Ryd( 3d) 0.00605 0.00000 117 S 2 dxy Ryd( 4d) 0.00048 0.00000 118 S 2 dxy Ryd( 5d) 0.00001 0.00000 119 S 2 dxy Ryd( 6d) 0.00000 0.00000 120 S 2 dxz Ryd( 3d) 0.00704 0.00000 121 S 2 dxz Ryd( 4d) 0.00092 0.00000 122 S 2 dxz Ryd( 5d) 0.00001 0.00000 123 S 2 dxz Ryd( 6d) 0.00000 0.00000 124 S 2 dyz Ryd( 3d) 0.00604 0.00000 125 S 2 dyz Ryd( 4d) 0.00065 0.00000 126 S 2 dyz Ryd( 5d) 0.00001 0.00000 127 S 2 dyz Ryd( 6d) 0.00000 0.00000 128 S 2 dx2y2 Ryd( 3d) 0.00856 0.00000 129 S 2 dx2y2 Ryd( 4d) 0.00065 0.00000 130 S 2 dx2y2 Ryd( 5d) 0.00001 0.00000 131 S 2 dx2y2 Ryd( 6d) 0.00000 0.00000 132 S 2 dz2 Ryd( 3d) 0.00616 0.00000 133 S 2 dz2 Ryd( 4d) 0.00089 0.00000 134 S 2 dz2 Ryd( 5d) 0.00001 0.00000 135 S 2 dz2 Ryd( 6d) 0.00000 0.00000 136 S 2 f(0) Ryd( 4f) 0.00009 0.00000 137 S 2 f(0) Ryd( 5f) 0.00006 0.00000 138 S 2 f(c1) Ryd( 4f) 0.00024 0.00000 139 S 2 f(c1) Ryd( 5f) 0.00006 0.00000 140 S 2 f(s1) Ryd( 4f) 0.00029 0.00000 141 S 2 f(s1) Ryd( 5f) 0.00005 0.00000 142 S 2 f(c2) Ryd( 4f) 0.00028 0.00000 143 S 2 f(c2) Ryd( 5f) 0.00007 0.00000 144 S 2 f(s2) Ryd( 4f) 0.00022 0.00000 145 S 2 f(s2) Ryd( 5f) 0.00003 0.00000 146 S 2 f(c3) Ryd( 4f) 0.00051 0.00000 147 S 2 f(c3) Ryd( 5f) 0.00004 0.00000 148 S 2 f(s3) Ryd( 4f) 0.00036 0.00000 149 S 2 f(s3) Ryd( 5f) 0.00005 0.00000 150 S 2 g(0) Ryd( 5g) 0.00002 0.00000 151 S 2 g(c1) Ryd( 5g) 0.00002 0.00000 152 S 2 g(s1) Ryd( 5g) 0.00002 0.00000 153 S 2 g(c2) Ryd( 5g) 0.00003 0.00000 154 S 2 g(s2) Ryd( 5g) 0.00003 0.00000 155 S 2 g(c3) Ryd( 5g) 0.00001 0.00000 156 S 2 g(s3) Ryd( 5g) 0.00001 0.00000 157 S 2 g(c4) Ryd( 5g) 0.00003 0.00000 158 S 2 g(s4) Ryd( 5g) 0.00003 0.00000 159 S 3 s Cor( 1s) 2.00000 0.00000 160 S 3 s Cor( 2s) 2.00000 0.00000 161 S 3 s Val( 3s) 1.79402 0.00000 162 S 3 s Ryd( 4s) 0.00405 0.00000 163 S 3 s Ryd( 6s) 0.00011 0.00000 164 S 3 s Ryd( 5s) 0.00000 0.00000 165 S 3 s Ryd( 7s) 0.00000 0.00000 166 S 3 s Ryd( 9s) 0.00000 0.00000 167 S 3 s Ryd( 8s) 0.00000 0.00000 168 S 3 px Cor( 2p) 1.99999 0.00000 169 S 3 px Val( 3p) 1.18678 0.00000 170 S 3 px Ryd( 4p) 0.00389 0.00000 171 S 3 px Ryd( 5p) 0.00026 0.00000 172 S 3 px Ryd( 6p) 0.00001 0.00000 173 S 3 px Ryd( 7p) 0.00000 0.00000 174 S 3 py Cor( 2p) 1.99999 0.00000 175 S 3 py Val( 3p) 1.60876 0.00000 176 S 3 py Ryd( 4p) 0.00246 0.00000 177 S 3 py Ryd( 5p) 0.00022 0.00000 178 S 3 py Ryd( 6p) 0.00001 0.00000 179 S 3 py Ryd( 7p) 0.00000 0.00000 180 S 3 pz Cor( 2p) 1.99999 0.00000 181 S 3 pz Val( 3p) 1.36991 0.00000 182 S 3 pz Ryd( 4p) 0.00318 0.00000 183 S 3 pz Ryd( 5p) 0.00023 0.00000 184 S 3 pz Ryd( 6p) 0.00001 0.00000 185 S 3 pz Ryd( 7p) 0.00000 0.00000 186 S 3 dxy Ryd( 3d) 0.00817 0.00000 187 S 3 dxy Ryd( 4d) 0.00012 0.00000 188 S 3 dxy Ryd( 5d) 0.00002 0.00000 189 S 3 dxy Ryd( 6d) 0.00000 0.00000 190 S 3 dxz Ryd( 3d) 0.01052 0.00000 191 S 3 dxz Ryd( 4d) 0.00027 0.00000 192 S 3 dxz Ryd( 5d) 0.00002 0.00000 193 S 3 dxz Ryd( 6d) 0.00000 0.00000 194 S 3 dyz Ryd( 3d) 0.00992 0.00000 195 S 3 dyz Ryd( 4d) 0.00015 0.00000 196 S 3 dyz Ryd( 5d) 0.00001 0.00000 197 S 3 dyz Ryd( 6d) 0.00000 0.00000 198 S 3 dx2y2 Ryd( 3d) 0.01394 0.00000 199 S 3 dx2y2 Ryd( 4d) 0.00015 0.00000 200 S 3 dx2y2 Ryd( 5d) 0.00002 0.00000 201 S 3 dx2y2 Ryd( 6d) 0.00000 0.00000 202 S 3 dz2 Ryd( 3d) 0.00969 0.00000 203 S 3 dz2 Ryd( 4d) 0.00020 0.00000 204 S 3 dz2 Ryd( 5d) 0.00002 0.00000 205 S 3 dz2 Ryd( 6d) 0.00000 0.00000 206 S 3 f(0) Ryd( 4f) 0.00024 0.00000 207 S 3 f(0) Ryd( 5f) 0.00003 0.00000 208 S 3 f(c1) Ryd( 4f) 0.00052 0.00000 209 S 3 f(c1) Ryd( 5f) 0.00003 0.00000 210 S 3 f(s1) Ryd( 4f) 0.00078 0.00000 211 S 3 f(s1) Ryd( 5f) 0.00003 0.00000 212 S 3 f(c2) Ryd( 4f) 0.00047 0.00000 213 S 3 f(c2) Ryd( 5f) 0.00004 0.00000 214 S 3 f(s2) Ryd( 4f) 0.00050 0.00000 215 S 3 f(s2) Ryd( 5f) 0.00003 0.00000 216 S 3 f(c3) Ryd( 4f) 0.00070 0.00000 217 S 3 f(c3) Ryd( 5f) 0.00003 0.00000 218 S 3 f(s3) Ryd( 4f) 0.00049 0.00000 219 S 3 f(s3) Ryd( 5f) 0.00003 0.00000 220 S 3 g(0) Ryd( 5g) 0.00003 0.00000 221 S 3 g(c1) Ryd( 5g) 0.00004 0.00000 222 S 3 g(s1) Ryd( 5g) 0.00003 0.00000 223 S 3 g(c2) Ryd( 5g) 0.00005 0.00000 224 S 3 g(s2) Ryd( 5g) 0.00004 0.00000 225 S 3 g(c3) Ryd( 5g) 0.00004 0.00000 226 S 3 g(s3) Ryd( 5g) 0.00002 0.00000 227 S 3 g(c4) Ryd( 5g) 0.00005 0.00000 228 S 3 g(s4) Ryd( 5g) 0.00005 0.00000 229 S 4 s Cor( 1s) 2.00000 0.00000 230 S 4 s Cor( 2s) 2.00000 0.00000 231 S 4 s Val( 3s) 1.80204 0.00000 232 S 4 s Ryd( 4s) 0.00423 0.00000 233 S 4 s Ryd( 5s) 0.00003 0.00000 234 S 4 s Ryd( 6s) 0.00000 0.00000 235 S 4 s Ryd( 7s) 0.00000 0.00000 236 S 4 s Ryd( 8s) 0.00000 0.00000 237 S 4 s Ryd( 9s) 0.00000 0.00000 238 S 4 px Cor( 2p) 1.99999 0.00000 239 S 4 px Val( 3p) 1.72116 0.00000 240 S 4 px Ryd( 4p) 0.00238 0.00000 241 S 4 px Ryd( 5p) 0.00021 0.00000 242 S 4 px Ryd( 6p) 0.00001 0.00000 243 S 4 px Ryd( 7p) 0.00000 0.00000 244 S 4 py Cor( 2p) 1.99999 0.00000 245 S 4 py Val( 3p) 1.46897 0.00000 246 S 4 py Ryd( 4p) 0.00132 0.00000 247 S 4 py Ryd( 5p) 0.00025 0.00000 248 S 4 py Ryd( 6p) 0.00001 0.00000 249 S 4 py Ryd( 7p) 0.00000 0.00000 250 S 4 pz Cor( 2p) 1.99999 0.00000 251 S 4 pz Val( 3p) 0.97044 0.00000 252 S 4 pz Ryd( 4p) 0.00518 0.00000 253 S 4 pz Ryd( 5p) 0.00020 0.00000 254 S 4 pz Ryd( 6p) 0.00000 0.00000 255 S 4 pz Ryd( 7p) 0.00000 0.00000 256 S 4 dxy Ryd( 3d) 0.00730 0.00000 257 S 4 dxy Ryd( 4d) 0.00017 0.00000 258 S 4 dxy Ryd( 5d) 0.00001 0.00000 259 S 4 dxy Ryd( 6d) 0.00000 0.00000 260 S 4 dxz Ryd( 3d) 0.00780 0.00000 261 S 4 dxz Ryd( 4d) 0.00015 0.00000 262 S 4 dxz Ryd( 5d) 0.00001 0.00000 263 S 4 dxz Ryd( 6d) 0.00000 0.00000 264 S 4 dyz Ryd( 3d) 0.01735 0.00000 265 S 4 dyz Ryd( 4d) 0.00008 0.00000 266 S 4 dyz Ryd( 5d) 0.00001 0.00000 267 S 4 dyz Ryd( 6d) 0.00000 0.00000 268 S 4 dx2y2 Ryd( 3d) 0.00491 0.00000 269 S 4 dx2y2 Ryd( 4d) 0.00004 0.00000 270 S 4 dx2y2 Ryd( 5d) 0.00002 0.00000 271 S 4 dx2y2 Ryd( 6d) 0.00000 0.00000 272 S 4 dz2 Ryd( 3d) 0.01349 0.00000 273 S 4 dz2 Ryd( 4d) 0.00008 0.00000 274 S 4 dz2 Ryd( 5d) 0.00002 0.00000 275 S 4 dz2 Ryd( 6d) 0.00000 0.00000 276 S 4 f(0) Ryd( 4f) 0.00049 0.00000 277 S 4 f(0) Ryd( 5f) 0.00003 0.00000 278 S 4 f(c1) Ryd( 4f) 0.00077 0.00000 279 S 4 f(c1) Ryd( 5f) 0.00003 0.00000 280 S 4 f(s1) Ryd( 4f) 0.00119 0.00000 281 S 4 f(s1) Ryd( 5f) 0.00003 0.00000 282 S 4 f(c2) Ryd( 4f) 0.00020 0.00000 283 S 4 f(c2) Ryd( 5f) 0.00003 0.00000 284 S 4 f(s2) Ryd( 4f) 0.00060 0.00000 285 S 4 f(s2) Ryd( 5f) 0.00003 0.00000 286 S 4 f(c3) Ryd( 4f) 0.00022 0.00000 287 S 4 f(c3) Ryd( 5f) 0.00000 0.00000 288 S 4 f(s3) Ryd( 4f) 0.00022 0.00000 289 S 4 f(s3) Ryd( 5f) 0.00001 0.00000 290 S 4 g(0) Ryd( 5g) 0.00005 0.00000 291 S 4 g(c1) Ryd( 5g) 0.00004 0.00000 292 S 4 g(s1) Ryd( 5g) 0.00008 0.00000 293 S 4 g(c2) Ryd( 5g) 0.00005 0.00000 294 S 4 g(s2) Ryd( 5g) 0.00009 0.00000 295 S 4 g(c3) Ryd( 5g) 0.00003 0.00000 296 S 4 g(s3) Ryd( 5g) 0.00001 0.00000 297 S 4 g(c4) Ryd( 5g) 0.00000 0.00000 298 S 4 g(s4) Ryd( 5g) 0.00000 0.00000 299 S 5 s Cor( 1s) 2.00000 0.00000 300 S 5 s Cor( 2s) 2.00000 0.00000 301 S 5 s Val( 3s) 1.79221 0.00000 302 S 5 s Ryd( 4s) 0.00408 0.00000 303 S 5 s Ryd( 6s) 0.00010 0.00000 304 S 5 s Ryd( 5s) 0.00000 0.00000 305 S 5 s Ryd( 7s) 0.00000 0.00000 306 S 5 s Ryd( 9s) 0.00000 0.00000 307 S 5 s Ryd( 8s) 0.00000 0.00000 308 S 5 px Cor( 2p) 1.99999 0.00000 309 S 5 px Val( 3p) 1.16720 0.00000 310 S 5 px Ryd( 4p) 0.00403 0.00000 311 S 5 px Ryd( 5p) 0.00025 0.00000 312 S 5 px Ryd( 6p) 0.00001 0.00000 313 S 5 px Ryd( 7p) 0.00000 0.00000 314 S 5 py Cor( 2p) 1.99999 0.00000 315 S 5 py Val( 3p) 1.69832 0.00000 316 S 5 py Ryd( 4p) 0.00290 0.00000 317 S 5 py Ryd( 5p) 0.00021 0.00000 318 S 5 py Ryd( 6p) 0.00001 0.00000 319 S 5 py Ryd( 7p) 0.00000 0.00000 320 S 5 pz Cor( 2p) 1.99999 0.00000 321 S 5 pz Val( 3p) 1.29925 0.00000 322 S 5 pz Ryd( 4p) 0.00279 0.00000 323 S 5 pz Ryd( 5p) 0.00024 0.00000 324 S 5 pz Ryd( 6p) 0.00001 0.00000 325 S 5 pz Ryd( 7p) 0.00000 0.00000 326 S 5 dxy Ryd( 3d) 0.00718 0.00000 327 S 5 dxy Ryd( 4d) 0.00011 0.00000 328 S 5 dxy Ryd( 5d) 0.00002 0.00000 329 S 5 dxy Ryd( 6d) 0.00000 0.00000 330 S 5 dxz Ryd( 3d) 0.01160 0.00000 331 S 5 dxz Ryd( 4d) 0.00028 0.00000 332 S 5 dxz Ryd( 5d) 0.00002 0.00000 333 S 5 dxz Ryd( 6d) 0.00000 0.00000 334 S 5 dyz Ryd( 3d) 0.00772 0.00000 335 S 5 dyz Ryd( 4d) 0.00011 0.00000 336 S 5 dyz Ryd( 5d) 0.00001 0.00000 337 S 5 dyz Ryd( 6d) 0.00000 0.00000 338 S 5 dx2y2 Ryd( 3d) 0.01330 0.00000 339 S 5 dx2y2 Ryd( 4d) 0.00015 0.00000 340 S 5 dx2y2 Ryd( 5d) 0.00002 0.00000 341 S 5 dx2y2 Ryd( 6d) 0.00000 0.00000 342 S 5 dz2 Ryd( 3d) 0.01243 0.00000 343 S 5 dz2 Ryd( 4d) 0.00022 0.00000 344 S 5 dz2 Ryd( 5d) 0.00002 0.00000 345 S 5 dz2 Ryd( 6d) 0.00000 0.00000 346 S 5 f(0) Ryd( 4f) 0.00031 0.00000 347 S 5 f(0) Ryd( 5f) 0.00004 0.00000 348 S 5 f(c1) Ryd( 4f) 0.00064 0.00000 349 S 5 f(c1) Ryd( 5f) 0.00003 0.00000 350 S 5 f(s1) Ryd( 4f) 0.00064 0.00000 351 S 5 f(s1) Ryd( 5f) 0.00003 0.00000 352 S 5 f(c2) Ryd( 4f) 0.00038 0.00000 353 S 5 f(c2) Ryd( 5f) 0.00003 0.00000 354 S 5 f(s2) Ryd( 4f) 0.00040 0.00000 355 S 5 f(s2) Ryd( 5f) 0.00002 0.00000 356 S 5 f(c3) Ryd( 4f) 0.00073 0.00000 357 S 5 f(c3) Ryd( 5f) 0.00003 0.00000 358 S 5 f(s3) Ryd( 4f) 0.00060 0.00000 359 S 5 f(s3) Ryd( 5f) 0.00003 0.00000 360 S 5 g(0) Ryd( 5g) 0.00003 0.00000 361 S 5 g(c1) Ryd( 5g) 0.00005 0.00000 362 S 5 g(s1) Ryd( 5g) 0.00004 0.00000 363 S 5 g(c2) Ryd( 5g) 0.00005 0.00000 364 S 5 g(s2) Ryd( 5g) 0.00004 0.00000 365 S 5 g(c3) Ryd( 5g) 0.00002 0.00000 366 S 5 g(s3) Ryd( 5g) 0.00001 0.00000 367 S 5 g(c4) Ryd( 5g) 0.00006 0.00000 368 S 5 g(s4) Ryd( 5g) 0.00006 0.00000 369 S 6 s Cor( 1s) 2.00000 0.00000 370 S 6 s Cor( 2s) 2.00000 0.00000 371 S 6 s Val( 3s) 1.77224 0.00000 372 S 6 s Ryd( 4s) 0.00290 0.00000 373 S 6 s Ryd( 5s) 0.00008 0.00000 374 S 6 s Ryd( 6s) 0.00000 0.00000 375 S 6 s Ryd( 7s) 0.00000 0.00000 376 S 6 s Ryd( 9s) 0.00000 0.00000 377 S 6 s Ryd( 8s) 0.00000 0.00000 378 S 6 px Cor( 2p) 2.00000 0.00000 379 S 6 px Val( 3p) 1.01535 0.00000 380 S 6 px Ryd( 4p) 0.00312 0.00000 381 S 6 px Ryd( 5p) 0.00016 0.00000 382 S 6 px Ryd( 6p) 0.00001 0.00000 383 S 6 px Ryd( 7p) 0.00000 0.00000 384 S 6 py Cor( 2p) 2.00000 0.00000 385 S 6 py Val( 3p) 1.57414 0.00000 386 S 6 py Ryd( 4p) 0.00322 0.00000 387 S 6 py Ryd( 5p) 0.00023 0.00000 388 S 6 py Ryd( 6p) 0.00001 0.00000 389 S 6 py Ryd( 7p) 0.00000 0.00000 390 S 6 pz Cor( 2p) 2.00000 0.00000 391 S 6 pz Val( 3p) 1.65441 0.00000 392 S 6 pz Ryd( 4p) 0.00216 0.00000 393 S 6 pz Ryd( 5p) 0.00023 0.00000 394 S 6 pz Ryd( 6p) 0.00001 0.00000 395 S 6 pz Ryd( 7p) 0.00000 0.00000 396 S 6 dxy Ryd( 3d) 0.00712 0.00000 397 S 6 dxy Ryd( 4d) 0.00039 0.00000 398 S 6 dxy Ryd( 5d) 0.00001 0.00000 399 S 6 dxy Ryd( 6d) 0.00000 0.00000 400 S 6 dxz Ryd( 3d) 0.00620 0.00000 401 S 6 dxz Ryd( 4d) 0.00090 0.00000 402 S 6 dxz Ryd( 5d) 0.00001 0.00000 403 S 6 dxz Ryd( 6d) 0.00000 0.00000 404 S 6 dyz Ryd( 3d) 0.00681 0.00000 405 S 6 dyz Ryd( 4d) 0.00076 0.00000 406 S 6 dyz Ryd( 5d) 0.00001 0.00000 407 S 6 dyz Ryd( 6d) 0.00000 0.00000 408 S 6 dx2y2 Ryd( 3d) 0.00935 0.00000 409 S 6 dx2y2 Ryd( 4d) 0.00074 0.00000 410 S 6 dx2y2 Ryd( 5d) 0.00001 0.00000 411 S 6 dx2y2 Ryd( 6d) 0.00000 0.00000 412 S 6 dz2 Ryd( 3d) 0.00463 0.00000 413 S 6 dz2 Ryd( 4d) 0.00065 0.00000 414 S 6 dz2 Ryd( 5d) 0.00001 0.00000 415 S 6 dz2 Ryd( 6d) 0.00000 0.00000 416 S 6 f(0) Ryd( 4f) 0.00014 0.00000 417 S 6 f(0) Ryd( 5f) 0.00006 0.00000 418 S 6 f(c1) Ryd( 4f) 0.00028 0.00000 419 S 6 f(c1) Ryd( 5f) 0.00006 0.00000 420 S 6 f(s1) Ryd( 4f) 0.00031 0.00000 421 S 6 f(s1) Ryd( 5f) 0.00004 0.00000 422 S 6 f(c2) Ryd( 4f) 0.00029 0.00000 423 S 6 f(c2) Ryd( 5f) 0.00007 0.00000 424 S 6 f(s2) Ryd( 4f) 0.00024 0.00000 425 S 6 f(s2) Ryd( 5f) 0.00003 0.00000 426 S 6 f(c3) Ryd( 4f) 0.00049 0.00000 427 S 6 f(c3) Ryd( 5f) 0.00005 0.00000 428 S 6 f(s3) Ryd( 4f) 0.00034 0.00000 429 S 6 f(s3) Ryd( 5f) 0.00006 0.00000 430 S 6 g(0) Ryd( 5g) 0.00002 0.00000 431 S 6 g(c1) Ryd( 5g) 0.00002 0.00000 432 S 6 g(s1) Ryd( 5g) 0.00002 0.00000 433 S 6 g(c2) Ryd( 5g) 0.00003 0.00000 434 S 6 g(s2) Ryd( 5g) 0.00002 0.00000 435 S 6 g(c3) Ryd( 5g) 0.00002 0.00000 436 S 6 g(s3) Ryd( 5g) 0.00001 0.00000 437 S 6 g(c4) Ryd( 5g) 0.00003 0.00000 438 S 6 g(s4) Ryd( 5g) 0.00003 0.00000 439 C 7 s Cor( 1s) 1.99997 0.00000 440 C 7 s Val( 2s) 1.20604 0.00000 441 C 7 s Ryd( 3s) 0.00224 0.00000 442 C 7 s Ryd( 4s) 0.00004 0.00000 443 C 7 s Ryd( 5s) 0.00000 0.00000 444 C 7 s Ryd( 6s) 0.00000 0.00000 445 C 7 s Ryd( 7s) 0.00000 0.00000 446 C 7 px Val( 2p) 1.23239 0.00000 447 C 7 px Ryd( 3p) 0.00074 0.00000 448 C 7 px Ryd( 4p) 0.00015 0.00000 449 C 7 px Ryd( 5p) 0.00000 0.00000 450 C 7 py Val( 2p) 1.23871 0.00000 451 C 7 py Ryd( 3p) 0.00067 0.00000 452 C 7 py Ryd( 4p) 0.00007 0.00000 453 C 7 py Ryd( 5p) 0.00000 0.00000 454 C 7 pz Val( 2p) 1.24449 0.00000 455 C 7 pz Ryd( 3p) 0.00184 0.00000 456 C 7 pz Ryd( 4p) 0.00012 0.00000 457 C 7 pz Ryd( 5p) 0.00000 0.00000 458 C 7 dxy Ryd( 3d) 0.00187 0.00000 459 C 7 dxy Ryd( 4d) 0.00004 0.00000 460 C 7 dxy Ryd( 5d) 0.00000 0.00000 461 C 7 dxz Ryd( 3d) 0.00239 0.00000 462 C 7 dxz Ryd( 4d) 0.00011 0.00000 463 C 7 dxz Ryd( 5d) 0.00000 0.00000 464 C 7 dyz Ryd( 3d) 0.00133 0.00000 465 C 7 dyz Ryd( 4d) 0.00015 0.00000 466 C 7 dyz Ryd( 5d) 0.00000 0.00000 467 C 7 dx2y2 Ryd( 3d) 0.00172 0.00000 468 C 7 dx2y2 Ryd( 4d) 0.00006 0.00000 469 C 7 dx2y2 Ryd( 5d) 0.00000 0.00000 470 C 7 dz2 Ryd( 3d) 0.00246 0.00000 471 C 7 dz2 Ryd( 4d) 0.00018 0.00000 472 C 7 dz2 Ryd( 5d) 0.00000 0.00000 473 C 7 f(0) Ryd( 4f) 0.00028 0.00000 474 C 7 f(0) Ryd( 5f) 0.00001 0.00000 475 C 7 f(c1) Ryd( 4f) 0.00040 0.00000 476 C 7 f(c1) Ryd( 5f) 0.00001 0.00000 477 C 7 f(s1) Ryd( 4f) 0.00014 0.00000 478 C 7 f(s1) Ryd( 5f) 0.00001 0.00000 479 C 7 f(c2) Ryd( 4f) 0.00024 0.00000 480 C 7 f(c2) Ryd( 5f) 0.00001 0.00000 481 C 7 f(s2) Ryd( 4f) 0.00039 0.00000 482 C 7 f(s2) Ryd( 5f) 0.00001 0.00000 483 C 7 f(c3) Ryd( 4f) 0.00003 0.00000 484 C 7 f(c3) Ryd( 5f) 0.00000 0.00000 485 C 7 f(s3) Ryd( 4f) 0.00036 0.00000 486 C 7 f(s3) Ryd( 5f) 0.00001 0.00000 487 C 7 g(0) Ryd( 5g) 0.00007 0.00000 488 C 7 g(c1) Ryd( 5g) 0.00012 0.00000 489 C 7 g(s1) Ryd( 5g) 0.00009 0.00000 490 C 7 g(c2) Ryd( 5g) 0.00007 0.00000 491 C 7 g(s2) Ryd( 5g) 0.00014 0.00000 492 C 7 g(c3) Ryd( 5g) 0.00009 0.00000 493 C 7 g(s3) Ryd( 5g) 0.00015 0.00000 494 C 7 g(c4) Ryd( 5g) 0.00010 0.00000 495 C 7 g(s4) Ryd( 5g) 0.00012 0.00000 496 C 8 s Cor( 1s) 1.99997 0.00000 497 C 8 s Val( 2s) 1.20406 0.00000 498 C 8 s Ryd( 3s) 0.00208 0.00000 499 C 8 s Ryd( 4s) 0.00004 0.00000 500 C 8 s Ryd( 6s) 0.00000 0.00000 501 C 8 s Ryd( 5s) 0.00000 0.00000 502 C 8 s Ryd( 7s) 0.00000 0.00000 503 C 8 px Val( 2p) 1.23845 0.00000 504 C 8 px Ryd( 3p) 0.00144 0.00000 505 C 8 px Ryd( 4p) 0.00017 0.00000 506 C 8 px Ryd( 5p) 0.00000 0.00000 507 C 8 py Val( 2p) 1.23313 0.00000 508 C 8 py Ryd( 3p) 0.00129 0.00000 509 C 8 py Ryd( 4p) 0.00020 0.00000 510 C 8 py Ryd( 5p) 0.00000 0.00000 511 C 8 pz Val( 2p) 1.24615 0.00000 512 C 8 pz Ryd( 3p) 0.00078 0.00000 513 C 8 pz Ryd( 4p) 0.00009 0.00000 514 C 8 pz Ryd( 5p) 0.00000 0.00000 515 C 8 dxy Ryd( 3d) 0.00087 0.00000 516 C 8 dxy Ryd( 4d) 0.00020 0.00000 517 C 8 dxy Ryd( 5d) 0.00000 0.00000 518 C 8 dxz Ryd( 3d) 0.00178 0.00000 519 C 8 dxz Ryd( 4d) 0.00009 0.00000 520 C 8 dxz Ryd( 5d) 0.00000 0.00000 521 C 8 dyz Ryd( 3d) 0.00238 0.00000 522 C 8 dyz Ryd( 4d) 0.00009 0.00000 523 C 8 dyz Ryd( 5d) 0.00000 0.00000 524 C 8 dx2y2 Ryd( 3d) 0.00321 0.00000 525 C 8 dx2y2 Ryd( 4d) 0.00006 0.00000 526 C 8 dx2y2 Ryd( 5d) 0.00000 0.00000 527 C 8 dz2 Ryd( 3d) 0.00165 0.00000 528 C 8 dz2 Ryd( 4d) 0.00008 0.00000 529 C 8 dz2 Ryd( 5d) 0.00000 0.00000 530 C 8 f(0) Ryd( 4f) 0.00062 0.00000 531 C 8 f(0) Ryd( 5f) 0.00001 0.00000 532 C 8 f(c1) Ryd( 4f) 0.00016 0.00000 533 C 8 f(c1) Ryd( 5f) 0.00000 0.00000 534 C 8 f(s1) Ryd( 4f) 0.00007 0.00000 535 C 8 f(s1) Ryd( 5f) 0.00001 0.00000 536 C 8 f(c2) Ryd( 4f) 0.00007 0.00000 537 C 8 f(c2) Ryd( 5f) 0.00001 0.00000 538 C 8 f(s2) Ryd( 4f) 0.00014 0.00000 539 C 8 f(s2) Ryd( 5f) 0.00001 0.00000 540 C 8 f(c3) Ryd( 4f) 0.00004 0.00000 541 C 8 f(c3) Ryd( 5f) 0.00001 0.00000 542 C 8 f(s3) Ryd( 4f) 0.00073 0.00000 543 C 8 f(s3) Ryd( 5f) 0.00001 0.00000 544 C 8 g(0) Ryd( 5g) 0.00019 0.00000 545 C 8 g(c1) Ryd( 5g) 0.00014 0.00000 546 C 8 g(s1) Ryd( 5g) 0.00013 0.00000 547 C 8 g(c2) Ryd( 5g) 0.00002 0.00000 548 C 8 g(s2) Ryd( 5g) 0.00005 0.00000 549 C 8 g(c3) Ryd( 5g) 0.00001 0.00000 550 C 8 g(s3) Ryd( 5g) 0.00013 0.00000 551 C 8 g(c4) Ryd( 5g) 0.00015 0.00000 552 C 8 g(s4) Ryd( 5g) 0.00013 0.00000 553 C 9 s Cor( 1s) 1.99997 0.00000 554 C 9 s Val( 2s) 1.20509 0.00000 555 C 9 s Ryd( 3s) 0.00210 0.00000 556 C 9 s Ryd( 4s) 0.00003 0.00000 557 C 9 s Ryd( 5s) 0.00000 0.00000 558 C 9 s Ryd( 6s) 0.00000 0.00000 559 C 9 s Ryd( 7s) 0.00000 0.00000 560 C 9 px Val( 2p) 1.23513 0.00000 561 C 9 px Ryd( 3p) 0.00124 0.00000 562 C 9 px Ryd( 4p) 0.00016 0.00000 563 C 9 px Ryd( 5p) 0.00000 0.00000 564 C 9 py Val( 2p) 1.23765 0.00000 565 C 9 py Ryd( 3p) 0.00114 0.00000 566 C 9 py Ryd( 4p) 0.00008 0.00000 567 C 9 py Ryd( 5p) 0.00000 0.00000 568 C 9 pz Val( 2p) 1.24062 0.00000 569 C 9 pz Ryd( 3p) 0.00074 0.00000 570 C 9 pz Ryd( 4p) 0.00006 0.00000 571 C 9 pz Ryd( 5p) 0.00000 0.00000 572 C 9 dxy Ryd( 3d) 0.00250 0.00000 573 C 9 dxy Ryd( 4d) 0.00007 0.00000 574 C 9 dxy Ryd( 5d) 0.00000 0.00000 575 C 9 dxz Ryd( 3d) 0.00262 0.00000 576 C 9 dxz Ryd( 4d) 0.00007 0.00000 577 C 9 dxz Ryd( 5d) 0.00000 0.00000 578 C 9 dyz Ryd( 3d) 0.00193 0.00000 579 C 9 dyz Ryd( 4d) 0.00011 0.00000 580 C 9 dyz Ryd( 5d) 0.00000 0.00000 581 C 9 dx2y2 Ryd( 3d) 0.00126 0.00000 582 C 9 dx2y2 Ryd( 4d) 0.00016 0.00000 583 C 9 dx2y2 Ryd( 5d) 0.00000 0.00000 584 C 9 dz2 Ryd( 3d) 0.00135 0.00000 585 C 9 dz2 Ryd( 4d) 0.00010 0.00000 586 C 9 dz2 Ryd( 5d) 0.00000 0.00000 587 C 9 f(0) Ryd( 4f) 0.00044 0.00000 588 C 9 f(0) Ryd( 5f) 0.00001 0.00000 589 C 9 f(c1) Ryd( 4f) 0.00025 0.00000 590 C 9 f(c1) Ryd( 5f) 0.00001 0.00000 591 C 9 f(s1) Ryd( 4f) 0.00013 0.00000 592 C 9 f(s1) Ryd( 5f) 0.00001 0.00000 593 C 9 f(c2) Ryd( 4f) 0.00008 0.00000 594 C 9 f(c2) Ryd( 5f) 0.00001 0.00000 595 C 9 f(s2) Ryd( 4f) 0.00026 0.00000 596 C 9 f(s2) Ryd( 5f) 0.00001 0.00000 597 C 9 f(c3) Ryd( 4f) 0.00013 0.00000 598 C 9 f(c3) Ryd( 5f) 0.00001 0.00000 599 C 9 f(s3) Ryd( 4f) 0.00055 0.00000 600 C 9 f(s3) Ryd( 5f) 0.00001 0.00000 601 C 9 g(0) Ryd( 5g) 0.00014 0.00000 602 C 9 g(c1) Ryd( 5g) 0.00012 0.00000 603 C 9 g(s1) Ryd( 5g) 0.00013 0.00000 604 C 9 g(c2) Ryd( 5g) 0.00003 0.00000 605 C 9 g(s2) Ryd( 5g) 0.00010 0.00000 606 C 9 g(c3) Ryd( 5g) 0.00005 0.00000 607 C 9 g(s3) Ryd( 5g) 0.00012 0.00000 608 C 9 g(c4) Ryd( 5g) 0.00012 0.00000 609 C 9 g(s4) Ryd( 5g) 0.00013 0.00000 610 P 10 s Cor( 1s) 2.00000 0.00000 611 P 10 s Cor( 2s) 2.00000 0.00000 612 P 10 s Val( 3s) 1.14673 0.00000 613 P 10 s Ryd( 4s) 0.00466 0.00000 614 P 10 s Ryd( 5s) 0.00011 0.00000 615 P 10 s Ryd( 6s) 0.00001 0.00000 616 P 10 s Ryd( 7s) 0.00000 0.00000 617 P 10 s Ryd( 9s) 0.00000 0.00000 618 P 10 s Ryd( 8s) 0.00000 0.00000 619 P 10 px Cor( 2p) 1.99999 0.00000 620 P 10 px Val( 3p) 0.97884 0.00000 621 P 10 px Ryd( 4p) 0.00387 0.00000 622 P 10 px Ryd( 5p) 0.00019 0.00000 623 P 10 px Ryd( 6p) 0.00003 0.00000 624 P 10 px Ryd( 7p) 0.00000 0.00000 625 P 10 py Cor( 2p) 2.00000 0.00000 626 P 10 py Val( 3p) 0.82496 0.00000 627 P 10 py Ryd( 4p) 0.00576 0.00000 628 P 10 py Ryd( 5p) 0.00009 0.00000 629 P 10 py Ryd( 6p) 0.00004 0.00000 630 P 10 py Ryd( 7p) 0.00000 0.00000 631 P 10 pz Cor( 2p) 2.00000 0.00000 632 P 10 pz Val( 3p) 0.72739 0.00000 633 P 10 pz Ryd( 4p) 0.00320 0.00000 634 P 10 pz Ryd( 5p) 0.00014 0.00000 635 P 10 pz Ryd( 6p) 0.00004 0.00000 636 P 10 pz Ryd( 7p) 0.00000 0.00000 637 P 10 dxy Ryd( 3d) 0.00619 0.00000 638 P 10 dxy Ryd( 4d) 0.00215 0.00000 639 P 10 dxy Ryd( 5d) 0.00006 0.00000 640 P 10 dxy Ryd( 6d) 0.00000 0.00000 641 P 10 dxz Ryd( 3d) 0.01016 0.00000 642 P 10 dxz Ryd( 4d) 0.00066 0.00000 643 P 10 dxz Ryd( 5d) 0.00006 0.00000 644 P 10 dxz Ryd( 6d) 0.00000 0.00000 645 P 10 dyz Ryd( 3d) 0.00840 0.00000 646 P 10 dyz Ryd( 4d) 0.00077 0.00000 647 P 10 dyz Ryd( 5d) 0.00005 0.00000 648 P 10 dyz Ryd( 6d) 0.00000 0.00000 649 P 10 dx2y2 Ryd( 3d) 0.01025 0.00000 650 P 10 dx2y2 Ryd( 4d) 0.00079 0.00000 651 P 10 dx2y2 Ryd( 5d) 0.00007 0.00000 652 P 10 dx2y2 Ryd( 6d) 0.00000 0.00000 653 P 10 dz2 Ryd( 3d) 0.00614 0.00000 654 P 10 dz2 Ryd( 4d) 0.00126 0.00000 655 P 10 dz2 Ryd( 5d) 0.00004 0.00000 656 P 10 dz2 Ryd( 6d) 0.00000 0.00000 657 P 10 f(0) Ryd( 4f) 0.00040 0.00000 658 P 10 f(0) Ryd( 5f) 0.00005 0.00000 659 P 10 f(c1) Ryd( 4f) 0.00050 0.00000 660 P 10 f(c1) Ryd( 5f) 0.00006 0.00000 661 P 10 f(s1) Ryd( 4f) 0.00025 0.00000 662 P 10 f(s1) Ryd( 5f) 0.00004 0.00000 663 P 10 f(c2) Ryd( 4f) 0.00046 0.00000 664 P 10 f(c2) Ryd( 5f) 0.00003 0.00000 665 P 10 f(s2) Ryd( 4f) 0.00046 0.00000 666 P 10 f(s2) Ryd( 5f) 0.00006 0.00000 667 P 10 f(c3) Ryd( 4f) 0.00039 0.00000 668 P 10 f(c3) Ryd( 5f) 0.00007 0.00000 669 P 10 f(s3) Ryd( 4f) 0.00057 0.00000 670 P 10 f(s3) Ryd( 5f) 0.00011 0.00000 671 P 10 g(0) Ryd( 5g) 0.00004 0.00000 672 P 10 g(c1) Ryd( 5g) 0.00003 0.00000 673 P 10 g(s1) Ryd( 5g) 0.00002 0.00000 674 P 10 g(c2) Ryd( 5g) 0.00003 0.00000 675 P 10 g(s2) Ryd( 5g) 0.00005 0.00000 676 P 10 g(c3) Ryd( 5g) 0.00002 0.00000 677 P 10 g(s3) Ryd( 5g) 0.00003 0.00000 678 P 10 g(c4) Ryd( 5g) 0.00006 0.00000 679 P 10 g(s4) Ryd( 5g) 0.00008 0.00000 680 C 11 s Cor( 1s) 1.99997 0.00000 681 C 11 s Val( 2s) 1.01205 0.00000 682 C 11 s Ryd( 3s) 0.00288 0.00000 683 C 11 s Ryd( 4s) 0.00008 0.00000 684 C 11 s Ryd( 5s) 0.00001 0.00000 685 C 11 s Ryd( 6s) 0.00000 0.00000 686 C 11 s Ryd( 7s) 0.00000 0.00000 687 C 11 px Val( 2p) 1.19810 0.00000 688 C 11 px Ryd( 3p) 0.00471 0.00000 689 C 11 px Ryd( 4p) 0.00039 0.00000 690 C 11 px Ryd( 5p) 0.00005 0.00000 691 C 11 py Val( 2p) 1.03226 0.00000 692 C 11 py Ryd( 3p) 0.00375 0.00000 693 C 11 py Ryd( 4p) 0.00070 0.00000 694 C 11 py Ryd( 5p) 0.00001 0.00000 695 C 11 pz Val( 2p) 1.00509 0.00000 696 C 11 pz Ryd( 3p) 0.00623 0.00000 697 C 11 pz Ryd( 4p) 0.00019 0.00000 698 C 11 pz Ryd( 5p) 0.00006 0.00000 699 C 11 dxy Ryd( 3d) 0.00237 0.00000 700 C 11 dxy Ryd( 4d) 0.00009 0.00000 701 C 11 dxy Ryd( 5d) 0.00001 0.00000 702 C 11 dxz Ryd( 3d) 0.00122 0.00000 703 C 11 dxz Ryd( 4d) 0.00030 0.00000 704 C 11 dxz Ryd( 5d) 0.00001 0.00000 705 C 11 dyz Ryd( 3d) 0.00026 0.00000 706 C 11 dyz Ryd( 4d) 0.00046 0.00000 707 C 11 dyz Ryd( 5d) 0.00001 0.00000 708 C 11 dx2y2 Ryd( 3d) 0.00186 0.00000 709 C 11 dx2y2 Ryd( 4d) 0.00047 0.00000 710 C 11 dx2y2 Ryd( 5d) 0.00002 0.00000 711 C 11 dz2 Ryd( 3d) 0.00062 0.00000 712 C 11 dz2 Ryd( 4d) 0.00076 0.00000 713 C 11 dz2 Ryd( 5d) 0.00001 0.00000 714 C 11 f(0) Ryd( 4f) 0.00038 0.00000 715 C 11 f(0) Ryd( 5f) 0.00003 0.00000 716 C 11 f(c1) Ryd( 4f) 0.00070 0.00000 717 C 11 f(c1) Ryd( 5f) 0.00002 0.00000 718 C 11 f(s1) Ryd( 4f) 0.00015 0.00000 719 C 11 f(s1) Ryd( 5f) 0.00001 0.00000 720 C 11 f(c2) Ryd( 4f) 0.00034 0.00000 721 C 11 f(c2) Ryd( 5f) 0.00001 0.00000 722 C 11 f(s2) Ryd( 4f) 0.00011 0.00000 723 C 11 f(s2) Ryd( 5f) 0.00001 0.00000 724 C 11 f(c3) Ryd( 4f) 0.00075 0.00000 725 C 11 f(c3) Ryd( 5f) 0.00001 0.00000 726 C 11 f(s3) Ryd( 4f) 0.00086 0.00000 727 C 11 f(s3) Ryd( 5f) 0.00001 0.00000 728 C 11 g(0) Ryd( 5g) 0.00010 0.00000 729 C 11 g(c1) Ryd( 5g) 0.00018 0.00000 730 C 11 g(s1) Ryd( 5g) 0.00001 0.00000 731 C 11 g(c2) Ryd( 5g) 0.00013 0.00000 732 C 11 g(s2) Ryd( 5g) 0.00014 0.00000 733 C 11 g(c3) Ryd( 5g) 0.00001 0.00000 734 C 11 g(s3) Ryd( 5g) 0.00001 0.00000 735 C 11 g(c4) Ryd( 5g) 0.00003 0.00000 736 C 11 g(s4) Ryd( 5g) 0.00003 0.00000 737 C 12 s Cor( 1s) 1.99997 0.00000 738 C 12 s Val( 2s) 1.01107 0.00000 739 C 12 s Ryd( 4s) 0.00229 0.00000 740 C 12 s Ryd( 3s) 0.00007 0.00000 741 C 12 s Ryd( 5s) 0.00001 0.00000 742 C 12 s Ryd( 6s) 0.00000 0.00000 743 C 12 s Ryd( 7s) 0.00000 0.00000 744 C 12 px Val( 2p) 1.01961 0.00000 745 C 12 px Ryd( 4p) 0.00566 0.00000 746 C 12 px Ryd( 3p) 0.00026 0.00000 747 C 12 px Ryd( 5p) 0.00006 0.00000 748 C 12 py Val( 2p) 0.99932 0.00000 749 C 12 py Ryd( 4p) 0.00248 0.00000 750 C 12 py Ryd( 3p) 0.00045 0.00000 751 C 12 py Ryd( 5p) 0.00002 0.00000 752 C 12 pz Val( 2p) 1.18006 0.00000 753 C 12 pz Ryd( 4p) 0.00472 0.00000 754 C 12 pz Ryd( 3p) 0.00034 0.00000 755 C 12 pz Ryd( 5p) 0.00004 0.00000 756 C 12 dxy Ryd( 3d) 0.00042 0.00000 757 C 12 dxy Ryd( 4d) 0.00052 0.00000 758 C 12 dxy Ryd( 5d) 0.00001 0.00000 759 C 12 dxz Ryd( 3d) 0.00119 0.00000 760 C 12 dxz Ryd( 4d) 0.00037 0.00000 761 C 12 dxz Ryd( 5d) 0.00001 0.00000 762 C 12 dyz Ryd( 3d) 0.00273 0.00000 763 C 12 dyz Ryd( 4d) 0.00015 0.00000 764 C 12 dyz Ryd( 5d) 0.00001 0.00000 765 C 12 dx2y2 Ryd( 3d) 0.00133 0.00000 766 C 12 dx2y2 Ryd( 4d) 0.00055 0.00000 767 C 12 dx2y2 Ryd( 5d) 0.00001 0.00000 768 C 12 dz2 Ryd( 3d) 0.00117 0.00000 769 C 12 dz2 Ryd( 4d) 0.00056 0.00000 770 C 12 dz2 Ryd( 5d) 0.00002 0.00000 771 C 12 f(0) Ryd( 4f) 0.00065 0.00000 772 C 12 f(0) Ryd( 5f) 0.00002 0.00000 773 C 12 f(c1) Ryd( 4f) 0.00054 0.00000 774 C 12 f(c1) Ryd( 5f) 0.00002 0.00000 775 C 12 f(s1) Ryd( 4f) 0.00064 0.00000 776 C 12 f(s1) Ryd( 5f) 0.00001 0.00000 777 C 12 f(c2) Ryd( 4f) 0.00043 0.00000 778 C 12 f(c2) Ryd( 5f) 0.00002 0.00000 779 C 12 f(s2) Ryd( 4f) 0.00013 0.00000 780 C 12 f(s2) Ryd( 5f) 0.00001 0.00000 781 C 12 f(c3) Ryd( 4f) 0.00035 0.00000 782 C 12 f(c3) Ryd( 5f) 0.00001 0.00000 783 C 12 f(s3) Ryd( 4f) 0.00032 0.00000 784 C 12 f(s3) Ryd( 5f) 0.00001 0.00000 785 C 12 g(0) Ryd( 5g) 0.00012 0.00000 786 C 12 g(c1) Ryd( 5g) 0.00018 0.00000 787 C 12 g(s1) Ryd( 5g) 0.00006 0.00000 788 C 12 g(c2) Ryd( 5g) 0.00009 0.00000 789 C 12 g(s2) Ryd( 5g) 0.00006 0.00000 790 C 12 g(c3) Ryd( 5g) 0.00004 0.00000 791 C 12 g(s3) Ryd( 5g) 0.00004 0.00000 792 C 12 g(c4) Ryd( 5g) 0.00002 0.00000 793 C 12 g(s4) Ryd( 5g) 0.00001 0.00000 794 C 13 s Cor( 1s) 1.99997 0.00000 795 C 13 s Val( 2s) 1.00348 0.00000 796 C 13 s Ryd( 3s) 0.00299 0.00000 797 C 13 s Ryd( 4s) 0.00007 0.00000 798 C 13 s Ryd( 5s) 0.00001 0.00000 799 C 13 s Ryd( 6s) 0.00000 0.00000 800 C 13 s Ryd( 7s) 0.00000 0.00000 801 C 13 px Val( 2p) 1.14300 0.00000 802 C 13 px Ryd( 3p) 0.00485 0.00000 803 C 13 px Ryd( 4p) 0.00034 0.00000 804 C 13 px Ryd( 5p) 0.00004 0.00000 805 C 13 py Val( 2p) 1.05555 0.00000 806 C 13 py Ryd( 3p) 0.00319 0.00000 807 C 13 py Ryd( 4p) 0.00040 0.00000 808 C 13 py Ryd( 5p) 0.00002 0.00000 809 C 13 pz Val( 2p) 1.04639 0.00000 810 C 13 pz Ryd( 3p) 0.00507 0.00000 811 C 13 pz Ryd( 4p) 0.00020 0.00000 812 C 13 pz Ryd( 5p) 0.00006 0.00000 813 C 13 dxy Ryd( 3d) 0.00218 0.00000 814 C 13 dxy Ryd( 4d) 0.00022 0.00000 815 C 13 dxy Ryd( 5d) 0.00001 0.00000 816 C 13 dxz Ryd( 3d) 0.00068 0.00000 817 C 13 dxz Ryd( 4d) 0.00073 0.00000 818 C 13 dxz Ryd( 5d) 0.00001 0.00000 819 C 13 dyz Ryd( 3d) 0.00096 0.00000 820 C 13 dyz Ryd( 4d) 0.00041 0.00000 821 C 13 dyz Ryd( 5d) 0.00001 0.00000 822 C 13 dx2y2 Ryd( 3d) 0.00188 0.00000 823 C 13 dx2y2 Ryd( 4d) 0.00034 0.00000 824 C 13 dx2y2 Ryd( 5d) 0.00001 0.00000 825 C 13 dz2 Ryd( 3d) 0.00145 0.00000 826 C 13 dz2 Ryd( 4d) 0.00038 0.00000 827 C 13 dz2 Ryd( 5d) 0.00001 0.00000 828 C 13 f(0) Ryd( 4f) 0.00049 0.00000 829 C 13 f(0) Ryd( 5f) 0.00002 0.00000 830 C 13 f(c1) Ryd( 4f) 0.00038 0.00000 831 C 13 f(c1) Ryd( 5f) 0.00003 0.00000 832 C 13 f(s1) Ryd( 4f) 0.00023 0.00000 833 C 13 f(s1) Ryd( 5f) 0.00001 0.00000 834 C 13 f(c2) Ryd( 4f) 0.00060 0.00000 835 C 13 f(c2) Ryd( 5f) 0.00001 0.00000 836 C 13 f(s2) Ryd( 4f) 0.00024 0.00000 837 C 13 f(s2) Ryd( 5f) 0.00001 0.00000 838 C 13 f(c3) Ryd( 4f) 0.00046 0.00000 839 C 13 f(c3) Ryd( 5f) 0.00001 0.00000 840 C 13 f(s3) Ryd( 4f) 0.00065 0.00000 841 C 13 f(s3) Ryd( 5f) 0.00001 0.00000 842 C 13 g(0) Ryd( 5g) 0.00013 0.00000 843 C 13 g(c1) Ryd( 5g) 0.00014 0.00000 844 C 13 g(s1) Ryd( 5g) 0.00005 0.00000 845 C 13 g(c2) Ryd( 5g) 0.00007 0.00000 846 C 13 g(s2) Ryd( 5g) 0.00001 0.00000 847 C 13 g(c3) Ryd( 5g) 0.00006 0.00000 848 C 13 g(s3) Ryd( 5g) 0.00011 0.00000 849 C 13 g(c4) Ryd( 5g) 0.00002 0.00000 850 C 13 g(s4) Ryd( 5g) 0.00001 0.00000 851 C 14 s Cor( 1s) 1.99997 0.00000 852 C 14 s Val( 2s) 1.00381 0.00000 853 C 14 s Ryd( 3s) 0.00314 0.00000 854 C 14 s Ryd( 4s) 0.00009 0.00000 855 C 14 s Ryd( 5s) 0.00001 0.00000 856 C 14 s Ryd( 6s) 0.00000 0.00000 857 C 14 s Ryd( 7s) 0.00000 0.00000 858 C 14 px Val( 2p) 1.11951 0.00000 859 C 14 px Ryd( 3p) 0.00511 0.00000 860 C 14 px Ryd( 4p) 0.00032 0.00000 861 C 14 px Ryd( 5p) 0.00005 0.00000 862 C 14 py Val( 2p) 1.05161 0.00000 863 C 14 py Ryd( 3p) 0.00352 0.00000 864 C 14 py Ryd( 4p) 0.00047 0.00000 865 C 14 py Ryd( 5p) 0.00002 0.00000 866 C 14 pz Val( 2p) 1.07715 0.00000 867 C 14 pz Ryd( 3p) 0.00504 0.00000 868 C 14 pz Ryd( 4p) 0.00019 0.00000 869 C 14 pz Ryd( 5p) 0.00005 0.00000 870 C 14 dxy Ryd( 3d) 0.00189 0.00000 871 C 14 dxy Ryd( 4d) 0.00027 0.00000 872 C 14 dxy Ryd( 5d) 0.00001 0.00000 873 C 14 dxz Ryd( 3d) 0.00051 0.00000 874 C 14 dxz Ryd( 4d) 0.00081 0.00000 875 C 14 dxz Ryd( 5d) 0.00001 0.00000 876 C 14 dyz Ryd( 3d) 0.00127 0.00000 877 C 14 dyz Ryd( 4d) 0.00036 0.00000 878 C 14 dyz Ryd( 5d) 0.00001 0.00000 879 C 14 dx2y2 Ryd( 3d) 0.00202 0.00000 880 C 14 dx2y2 Ryd( 4d) 0.00034 0.00000 881 C 14 dx2y2 Ryd( 5d) 0.00001 0.00000 882 C 14 dz2 Ryd( 3d) 0.00155 0.00000 883 C 14 dz2 Ryd( 4d) 0.00034 0.00000 884 C 14 dz2 Ryd( 5d) 0.00001 0.00000 885 C 14 f(0) Ryd( 4f) 0.00048 0.00000 886 C 14 f(0) Ryd( 5f) 0.00002 0.00000 887 C 14 f(c1) Ryd( 4f) 0.00052 0.00000 888 C 14 f(c1) Ryd( 5f) 0.00003 0.00000 889 C 14 f(s1) Ryd( 4f) 0.00029 0.00000 890 C 14 f(s1) Ryd( 5f) 0.00001 0.00000 891 C 14 f(c2) Ryd( 4f) 0.00064 0.00000 892 C 14 f(c2) Ryd( 5f) 0.00002 0.00000 893 C 14 f(s2) Ryd( 4f) 0.00024 0.00000 894 C 14 f(s2) Ryd( 5f) 0.00000 0.00000 895 C 14 f(c3) Ryd( 4f) 0.00041 0.00000 896 C 14 f(c3) Ryd( 5f) 0.00001 0.00000 897 C 14 f(s3) Ryd( 4f) 0.00050 0.00000 898 C 14 f(s3) Ryd( 5f) 0.00001 0.00000 899 C 14 g(0) Ryd( 5g) 0.00013 0.00000 900 C 14 g(c1) Ryd( 5g) 0.00015 0.00000 901 C 14 g(s1) Ryd( 5g) 0.00004 0.00000 902 C 14 g(c2) Ryd( 5g) 0.00008 0.00000 903 C 14 g(s2) Ryd( 5g) 0.00005 0.00000 904 C 14 g(c3) Ryd( 5g) 0.00004 0.00000 905 C 14 g(s3) Ryd( 5g) 0.00008 0.00000 906 C 14 g(c4) Ryd( 5g) 0.00003 0.00000 907 C 14 g(s4) Ryd( 5g) 0.00001 0.00000 908 C 15 s Cor( 1s) 1.99997 0.00000 909 C 15 s Val( 2s) 1.01123 0.00000 910 C 15 s Ryd( 4s) 0.00234 0.00000 911 C 15 s Ryd( 3s) 0.00007 0.00000 912 C 15 s Ryd( 5s) 0.00001 0.00000 913 C 15 s Ryd( 6s) 0.00000 0.00000 914 C 15 s Ryd( 7s) 0.00000 0.00000 915 C 15 px Val( 2p) 1.03382 0.00000 916 C 15 px Ryd( 4p) 0.00568 0.00000 917 C 15 px Ryd( 3p) 0.00029 0.00000 918 C 15 px Ryd( 5p) 0.00006 0.00000 919 C 15 py Val( 2p) 0.98819 0.00000 920 C 15 py Ryd( 4p) 0.00251 0.00000 921 C 15 py Ryd( 3p) 0.00048 0.00000 922 C 15 py Ryd( 5p) 0.00001 0.00000 923 C 15 pz Val( 2p) 1.17160 0.00000 924 C 15 pz Ryd( 4p) 0.00486 0.00000 925 C 15 pz Ryd( 3p) 0.00028 0.00000 926 C 15 pz Ryd( 5p) 0.00004 0.00000 927 C 15 dxy Ryd( 3d) 0.00073 0.00000 928 C 15 dxy Ryd( 4d) 0.00048 0.00000 929 C 15 dxy Ryd( 5d) 0.00001 0.00000 930 C 15 dxz Ryd( 3d) 0.00084 0.00000 931 C 15 dxz Ryd( 4d) 0.00055 0.00000 932 C 15 dxz Ryd( 5d) 0.00001 0.00000 933 C 15 dyz Ryd( 3d) 0.00235 0.00000 934 C 15 dyz Ryd( 4d) 0.00018 0.00000 935 C 15 dyz Ryd( 5d) 0.00001 0.00000 936 C 15 dx2y2 Ryd( 3d) 0.00157 0.00000 937 C 15 dx2y2 Ryd( 4d) 0.00052 0.00000 938 C 15 dx2y2 Ryd( 5d) 0.00001 0.00000 939 C 15 dz2 Ryd( 3d) 0.00127 0.00000 940 C 15 dz2 Ryd( 4d) 0.00047 0.00000 941 C 15 dz2 Ryd( 5d) 0.00001 0.00000 942 C 15 f(0) Ryd( 4f) 0.00056 0.00000 943 C 15 f(0) Ryd( 5f) 0.00002 0.00000 944 C 15 f(c1) Ryd( 4f) 0.00074 0.00000 945 C 15 f(c1) Ryd( 5f) 0.00002 0.00000 946 C 15 f(s1) Ryd( 4f) 0.00045 0.00000 947 C 15 f(s1) Ryd( 5f) 0.00001 0.00000 948 C 15 f(c2) Ryd( 4f) 0.00051 0.00000 949 C 15 f(c2) Ryd( 5f) 0.00002 0.00000 950 C 15 f(s2) Ryd( 4f) 0.00015 0.00000 951 C 15 f(s2) Ryd( 5f) 0.00001 0.00000 952 C 15 f(c3) Ryd( 4f) 0.00035 0.00000 953 C 15 f(c3) Ryd( 5f) 0.00001 0.00000 954 C 15 f(s3) Ryd( 4f) 0.00030 0.00000 955 C 15 f(s3) Ryd( 5f) 0.00001 0.00000 956 C 15 g(0) Ryd( 5g) 0.00009 0.00000 957 C 15 g(c1) Ryd( 5g) 0.00021 0.00000 958 C 15 g(s1) Ryd( 5g) 0.00002 0.00000 959 C 15 g(c2) Ryd( 5g) 0.00011 0.00000 960 C 15 g(s2) Ryd( 5g) 0.00013 0.00000 961 C 15 g(c3) Ryd( 5g) 0.00002 0.00000 962 C 15 g(s3) Ryd( 5g) 0.00001 0.00000 963 C 15 g(c4) Ryd( 5g) 0.00002 0.00000 964 C 15 g(s4) Ryd( 5g) 0.00001 0.00000 965 H 16 s Val( 1s) 0.77574 0.00000 966 H 16 s Ryd( 3s) 0.00073 0.00000 967 H 16 s Ryd( 2s) 0.00017 0.00000 968 H 16 s Ryd( 4s) 0.00000 0.00000 969 H 16 px Ryd( 2p) 0.00088 0.00000 970 H 16 px Ryd( 3p) 0.00001 0.00000 971 H 16 px Ryd( 4p) 0.00001 0.00000 972 H 16 py Ryd( 2p) 0.00060 0.00000 973 H 16 py Ryd( 3p) 0.00001 0.00000 974 H 16 py Ryd( 4p) 0.00001 0.00000 975 H 16 pz Ryd( 2p) 0.00038 0.00000 976 H 16 pz Ryd( 3p) 0.00004 0.00000 977 H 16 pz Ryd( 4p) 0.00001 0.00000 978 H 16 dxy Ryd( 3d) 0.00010 0.00000 979 H 16 dxy Ryd( 4d) 0.00001 0.00000 980 H 16 dxz Ryd( 3d) 0.00009 0.00000 981 H 16 dxz Ryd( 4d) 0.00000 0.00000 982 H 16 dyz Ryd( 3d) 0.00004 0.00000 983 H 16 dyz Ryd( 4d) 0.00000 0.00000 984 H 16 dx2y2 Ryd( 3d) 0.00013 0.00000 985 H 16 dx2y2 Ryd( 4d) 0.00000 0.00000 986 H 16 dz2 Ryd( 3d) 0.00004 0.00000 987 H 16 dz2 Ryd( 4d) 0.00000 0.00000 988 H 16 f(0) Ryd( 4f) 0.00000 0.00000 989 H 16 f(c1) Ryd( 4f) 0.00002 0.00000 990 H 16 f(s1) Ryd( 4f) 0.00001 0.00000 991 H 16 f(c2) Ryd( 4f) 0.00000 0.00000 992 H 16 f(s2) Ryd( 4f) 0.00001 0.00000 993 H 16 f(c3) Ryd( 4f) 0.00001 0.00000 994 H 16 f(s3) Ryd( 4f) 0.00004 0.00000 995 H 17 s Val( 1s) 0.76736 0.00000 996 H 17 s Ryd( 3s) 0.00033 0.00000 997 H 17 s Ryd( 2s) 0.00012 0.00000 998 H 17 s Ryd( 4s) 0.00000 0.00000 999 H 17 px Ryd( 2p) 0.00053 0.00000 1000 H 17 px Ryd( 3p) 0.00002 0.00000 1001 H 17 px Ryd( 4p) 0.00001 0.00000 1002 H 17 py Ryd( 2p) 0.00086 0.00000 1003 H 17 py Ryd( 3p) 0.00003 0.00000 1004 H 17 py Ryd( 4p) 0.00001 0.00000 1005 H 17 pz Ryd( 2p) 0.00038 0.00000 1006 H 17 pz Ryd( 3p) 0.00003 0.00000 1007 H 17 pz Ryd( 4p) 0.00001 0.00000 1008 H 17 dxy Ryd( 3d) 0.00010 0.00000 1009 H 17 dxy Ryd( 4d) 0.00000 0.00000 1010 H 17 dxz Ryd( 3d) 0.00004 0.00000 1011 H 17 dxz Ryd( 4d) 0.00000 0.00000 1012 H 17 dyz Ryd( 3d) 0.00008 0.00000 1013 H 17 dyz Ryd( 4d) 0.00001 0.00000 1014 H 17 dx2y2 Ryd( 3d) 0.00008 0.00000 1015 H 17 dx2y2 Ryd( 4d) 0.00000 0.00000 1016 H 17 dz2 Ryd( 3d) 0.00007 0.00000 1017 H 17 dz2 Ryd( 4d) 0.00000 0.00000 1018 H 17 f(0) Ryd( 4f) 0.00001 0.00000 1019 H 17 f(c1) Ryd( 4f) 0.00000 0.00000 1020 H 17 f(s1) Ryd( 4f) 0.00001 0.00000 1021 H 17 f(c2) Ryd( 4f) 0.00003 0.00000 1022 H 17 f(s2) Ryd( 4f) 0.00001 0.00000 1023 H 17 f(c3) Ryd( 4f) 0.00001 0.00000 1024 H 17 f(s3) Ryd( 4f) 0.00002 0.00000 1025 H 18 s Val( 1s) 0.75272 0.00000 1026 H 18 s Ryd( 3s) 0.00053 0.00000 1027 H 18 s Ryd( 2s) 0.00011 0.00000 1028 H 18 s Ryd( 4s) 0.00001 0.00000 1029 H 18 px Ryd( 2p) 0.00058 0.00000 1030 H 18 px Ryd( 3p) 0.00003 0.00000 1031 H 18 px Ryd( 4p) 0.00001 0.00000 1032 H 18 py Ryd( 2p) 0.00073 0.00000 1033 H 18 py Ryd( 3p) 0.00002 0.00000 1034 H 18 py Ryd( 4p) 0.00001 0.00000 1035 H 18 pz Ryd( 2p) 0.00040 0.00000 1036 H 18 pz Ryd( 3p) 0.00003 0.00000 1037 H 18 pz Ryd( 4p) 0.00001 0.00000 1038 H 18 dxy Ryd( 3d) 0.00007 0.00000 1039 H 18 dxy Ryd( 4d) 0.00000 0.00000 1040 H 18 dxz Ryd( 3d) 0.00007 0.00000 1041 H 18 dxz Ryd( 4d) 0.00000 0.00000 1042 H 18 dyz Ryd( 3d) 0.00006 0.00000 1043 H 18 dyz Ryd( 4d) 0.00000 0.00000 1044 H 18 dx2y2 Ryd( 3d) 0.00010 0.00000 1045 H 18 dx2y2 Ryd( 4d) 0.00000 0.00000 1046 H 18 dz2 Ryd( 3d) 0.00006 0.00000 1047 H 18 dz2 Ryd( 4d) 0.00000 0.00000 1048 H 18 f(0) Ryd( 4f) 0.00001 0.00000 1049 H 18 f(c1) Ryd( 4f) 0.00001 0.00000 1050 H 18 f(s1) Ryd( 4f) 0.00001 0.00000 1051 H 18 f(c2) Ryd( 4f) 0.00000 0.00000 1052 H 18 f(s2) Ryd( 4f) 0.00004 0.00000 1053 H 18 f(c3) Ryd( 4f) 0.00001 0.00000 1054 H 18 f(s3) Ryd( 4f) 0.00001 0.00000 1055 H 19 s Val( 1s) 0.77641 0.00000 1056 H 19 s Ryd( 3s) 0.00072 0.00000 1057 H 19 s Ryd( 2s) 0.00017 0.00000 1058 H 19 s Ryd( 4s) 0.00000 0.00000 1059 H 19 px Ryd( 2p) 0.00095 0.00000 1060 H 19 px Ryd( 3p) 0.00001 0.00000 1061 H 19 px Ryd( 4p) 0.00001 0.00000 1062 H 19 py Ryd( 2p) 0.00035 0.00000 1063 H 19 py Ryd( 3p) 0.00004 0.00000 1064 H 19 py Ryd( 4p) 0.00001 0.00000 1065 H 19 pz Ryd( 2p) 0.00046 0.00000 1066 H 19 pz Ryd( 3p) 0.00002 0.00000 1067 H 19 pz Ryd( 4p) 0.00001 0.00000 1068 H 19 dxy Ryd( 3d) 0.00009 0.00000 1069 H 19 dxy Ryd( 4d) 0.00001 0.00000 1070 H 19 dxz Ryd( 3d) 0.00012 0.00000 1071 H 19 dxz Ryd( 4d) 0.00000 0.00000 1072 H 19 dyz Ryd( 3d) 0.00005 0.00000 1073 H 19 dyz Ryd( 4d) 0.00000 0.00000 1074 H 19 dx2y2 Ryd( 3d) 0.00011 0.00000 1075 H 19 dx2y2 Ryd( 4d) 0.00000 0.00000 1076 H 19 dz2 Ryd( 3d) 0.00003 0.00000 1077 H 19 dz2 Ryd( 4d) 0.00000 0.00000 1078 H 19 f(0) Ryd( 4f) 0.00001 0.00000 1079 H 19 f(c1) Ryd( 4f) 0.00002 0.00000 1080 H 19 f(s1) Ryd( 4f) 0.00001 0.00000 1081 H 19 f(c2) Ryd( 4f) 0.00000 0.00000 1082 H 19 f(s2) Ryd( 4f) 0.00001 0.00000 1083 H 19 f(c3) Ryd( 4f) 0.00001 0.00000 1084 H 19 f(s3) Ryd( 4f) 0.00005 0.00000 1085 H 20 s Val( 1s) 0.75021 0.00000 1086 H 20 s Ryd( 3s) 0.00034 0.00000 1087 H 20 s Ryd( 2s) 0.00019 0.00000 1088 H 20 s Ryd( 4s) 0.00000 0.00000 1089 H 20 px Ryd( 2p) 0.00065 0.00000 1090 H 20 px Ryd( 3p) 0.00003 0.00000 1091 H 20 px Ryd( 4p) 0.00001 0.00000 1092 H 20 py Ryd( 2p) 0.00051 0.00000 1093 H 20 py Ryd( 3p) 0.00003 0.00000 1094 H 20 py Ryd( 4p) 0.00001 0.00000 1095 H 20 pz Ryd( 2p) 0.00068 0.00000 1096 H 20 pz Ryd( 3p) 0.00002 0.00000 1097 H 20 pz Ryd( 4p) 0.00001 0.00000 1098 H 20 dxy Ryd( 3d) 0.00007 0.00000 1099 H 20 dxy Ryd( 4d) 0.00001 0.00000 1100 H 20 dxz Ryd( 3d) 0.00007 0.00000 1101 H 20 dxz Ryd( 4d) 0.00000 0.00000 1102 H 20 dyz Ryd( 3d) 0.00005 0.00000 1103 H 20 dyz Ryd( 4d) 0.00000 0.00000 1104 H 20 dx2y2 Ryd( 3d) 0.00011 0.00000 1105 H 20 dx2y2 Ryd( 4d) 0.00000 0.00000 1106 H 20 dz2 Ryd( 3d) 0.00006 0.00000 1107 H 20 dz2 Ryd( 4d) 0.00000 0.00000 1108 H 20 f(0) Ryd( 4f) 0.00002 0.00000 1109 H 20 f(c1) Ryd( 4f) 0.00001 0.00000 1110 H 20 f(s1) Ryd( 4f) 0.00000 0.00000 1111 H 20 f(c2) Ryd( 4f) 0.00001 0.00000 1112 H 20 f(s2) Ryd( 4f) 0.00003 0.00000 1113 H 20 f(c3) Ryd( 4f) 0.00001 0.00000 1114 H 20 f(s3) Ryd( 4f) 0.00003 0.00000 1115 H 21 s Val( 1s) 0.75632 0.00000 1116 H 21 s Ryd( 3s) 0.00033 0.00000 1117 H 21 s Ryd( 2s) 0.00011 0.00000 1118 H 21 s Ryd( 4s) 0.00001 0.00000 1119 H 21 px Ryd( 2p) 0.00051 0.00000 1120 H 21 px Ryd( 3p) 0.00003 0.00000 1121 H 21 px Ryd( 4p) 0.00001 0.00000 1122 H 21 py Ryd( 2p) 0.00027 0.00000 1123 H 21 py Ryd( 3p) 0.00003 0.00000 1124 H 21 py Ryd( 4p) 0.00001 0.00000 1125 H 21 pz Ryd( 2p) 0.00091 0.00000 1126 H 21 pz Ryd( 3p) 0.00002 0.00000 1127 H 21 pz Ryd( 4p) 0.00001 0.00000 1128 H 21 dxy Ryd( 3d) 0.00001 0.00000 1129 H 21 dxy Ryd( 4d) 0.00000 0.00000 1130 H 21 dxz Ryd( 3d) 0.00014 0.00000 1131 H 21 dxz Ryd( 4d) 0.00000 0.00000 1132 H 21 dyz Ryd( 3d) 0.00012 0.00000 1133 H 21 dyz Ryd( 4d) 0.00000 0.00000 1134 H 21 dx2y2 Ryd( 3d) 0.00002 0.00000 1135 H 21 dx2y2 Ryd( 4d) 0.00000 0.00000 1136 H 21 dz2 Ryd( 3d) 0.00008 0.00000 1137 H 21 dz2 Ryd( 4d) 0.00001 0.00000 1138 H 21 f(0) Ryd( 4f) 0.00006 0.00000 1139 H 21 f(c1) Ryd( 4f) 0.00002 0.00000 1140 H 21 f(s1) Ryd( 4f) 0.00001 0.00000 1141 H 21 f(c2) Ryd( 4f) 0.00000 0.00000 1142 H 21 f(s2) Ryd( 4f) 0.00000 0.00000 1143 H 21 f(c3) Ryd( 4f) 0.00000 0.00000 1144 H 21 f(s3) Ryd( 4f) 0.00000 0.00000 1145 H 22 s Val( 1s) 0.77228 0.00000 1146 H 22 s Ryd( 3s) 0.00075 0.00000 1147 H 22 s Ryd( 2s) 0.00016 0.00000 1148 H 22 s Ryd( 4s) 0.00000 0.00000 1149 H 22 px Ryd( 2p) 0.00063 0.00000 1150 H 22 px Ryd( 3p) 0.00002 0.00000 1151 H 22 px Ryd( 4p) 0.00001 0.00000 1152 H 22 py Ryd( 2p) 0.00072 0.00000 1153 H 22 py Ryd( 3p) 0.00002 0.00000 1154 H 22 py Ryd( 4p) 0.00001 0.00000 1155 H 22 pz Ryd( 2p) 0.00050 0.00000 1156 H 22 pz Ryd( 3p) 0.00002 0.00000 1157 H 22 pz Ryd( 4p) 0.00001 0.00000 1158 H 22 dxy Ryd( 3d) 0.00006 0.00000 1159 H 22 dxy Ryd( 4d) 0.00001 0.00000 1160 H 22 dxz Ryd( 3d) 0.00010 0.00000 1161 H 22 dxz Ryd( 4d) 0.00000 0.00000 1162 H 22 dyz Ryd( 3d) 0.00006 0.00000 1163 H 22 dyz Ryd( 4d) 0.00000 0.00000 1164 H 22 dx2y2 Ryd( 3d) 0.00014 0.00000 1165 H 22 dx2y2 Ryd( 4d) 0.00000 0.00000 1166 H 22 dz2 Ryd( 3d) 0.00003 0.00000 1167 H 22 dz2 Ryd( 4d) 0.00000 0.00000 1168 H 22 f(0) Ryd( 4f) 0.00000 0.00000 1169 H 22 f(c1) Ryd( 4f) 0.00002 0.00000 1170 H 22 f(s1) Ryd( 4f) 0.00001 0.00000 1171 H 22 f(c2) Ryd( 4f) 0.00000 0.00000 1172 H 22 f(s2) Ryd( 4f) 0.00001 0.00000 1173 H 22 f(c3) Ryd( 4f) 0.00001 0.00000 1174 H 22 f(s3) Ryd( 4f) 0.00004 0.00000 1175 H 23 s Val( 1s) 0.76096 0.00000 1176 H 23 s Ryd( 3s) 0.00030 0.00000 1177 H 23 s Ryd( 2s) 0.00012 0.00000 1178 H 23 s Ryd( 4s) 0.00000 0.00000 1179 H 23 px Ryd( 2p) 0.00047 0.00000 1180 H 23 px Ryd( 3p) 0.00004 0.00000 1181 H 23 px Ryd( 4p) 0.00001 0.00000 1182 H 23 py Ryd( 2p) 0.00044 0.00000 1183 H 23 py Ryd( 3p) 0.00001 0.00000 1184 H 23 py Ryd( 4p) 0.00001 0.00000 1185 H 23 pz Ryd( 2p) 0.00085 0.00000 1186 H 23 pz Ryd( 3p) 0.00002 0.00000 1187 H 23 pz Ryd( 4p) 0.00001 0.00000 1188 H 23 dxy Ryd( 3d) 0.00001 0.00000 1189 H 23 dxy Ryd( 4d) 0.00000 0.00000 1190 H 23 dxz Ryd( 3d) 0.00011 0.00000 1191 H 23 dxz Ryd( 4d) 0.00000 0.00000 1192 H 23 dyz Ryd( 3d) 0.00011 0.00000 1193 H 23 dyz Ryd( 4d) 0.00000 0.00000 1194 H 23 dx2y2 Ryd( 3d) 0.00003 0.00000 1195 H 23 dx2y2 Ryd( 4d) 0.00000 0.00000 1196 H 23 dz2 Ryd( 3d) 0.00009 0.00000 1197 H 23 dz2 Ryd( 4d) 0.00001 0.00000 1198 H 23 f(0) Ryd( 4f) 0.00004 0.00000 1199 H 23 f(c1) Ryd( 4f) 0.00002 0.00000 1200 H 23 f(s1) Ryd( 4f) 0.00002 0.00000 1201 H 23 f(c2) Ryd( 4f) 0.00000 0.00000 1202 H 23 f(s2) Ryd( 4f) 0.00001 0.00000 1203 H 23 f(c3) Ryd( 4f) 0.00000 0.00000 1204 H 23 f(s3) Ryd( 4f) 0.00000 0.00000 1205 H 24 s Val( 1s) 0.77208 0.00000 1206 H 24 s Ryd( 3s) 0.00030 0.00000 1207 H 24 s Ryd( 2s) 0.00012 0.00000 1208 H 24 s Ryd( 4s) 0.00001 0.00000 1209 H 24 px Ryd( 2p) 0.00039 0.00000 1210 H 24 px Ryd( 3p) 0.00004 0.00000 1211 H 24 px Ryd( 4p) 0.00001 0.00000 1212 H 24 py Ryd( 2p) 0.00071 0.00000 1213 H 24 py Ryd( 3p) 0.00002 0.00000 1214 H 24 py Ryd( 4p) 0.00001 0.00000 1215 H 24 pz Ryd( 2p) 0.00054 0.00000 1216 H 24 pz Ryd( 3p) 0.00003 0.00000 1217 H 24 pz Ryd( 4p) 0.00001 0.00000 1218 H 24 dxy Ryd( 3d) 0.00008 0.00000 1219 H 24 dxy Ryd( 4d) 0.00000 0.00000 1220 H 24 dxz Ryd( 3d) 0.00005 0.00000 1221 H 24 dxz Ryd( 4d) 0.00000 0.00000 1222 H 24 dyz Ryd( 3d) 0.00007 0.00000 1223 H 24 dyz Ryd( 4d) 0.00000 0.00000 1224 H 24 dx2y2 Ryd( 3d) 0.00009 0.00000 1225 H 24 dx2y2 Ryd( 4d) 0.00000 0.00000 1226 H 24 dz2 Ryd( 3d) 0.00007 0.00000 1227 H 24 dz2 Ryd( 4d) 0.00000 0.00000 1228 H 24 f(0) Ryd( 4f) 0.00002 0.00000 1229 H 24 f(c1) Ryd( 4f) 0.00000 0.00000 1230 H 24 f(s1) Ryd( 4f) 0.00001 0.00000 1231 H 24 f(c2) Ryd( 4f) 0.00002 0.00000 1232 H 24 f(s2) Ryd( 4f) 0.00001 0.00000 1233 H 24 f(c3) Ryd( 4f) 0.00002 0.00000 1234 H 24 f(s3) Ryd( 4f) 0.00001 0.00000 1235 H 25 s Val( 1s) 0.73777 0.00000 1236 H 25 s Ryd( 3s) 0.00073 0.00000 1237 H 25 s Ryd( 2s) 0.00034 0.00000 1238 H 25 s Ryd( 4s) 0.00001 0.00000 1239 H 25 px Ryd( 2p) 0.00071 0.00000 1240 H 25 px Ryd( 3p) 0.00015 0.00000 1241 H 25 px Ryd( 4p) 0.00001 0.00000 1242 H 25 py Ryd( 2p) 0.00025 0.00000 1243 H 25 py Ryd( 3p) 0.00017 0.00000 1244 H 25 py Ryd( 4p) 0.00001 0.00000 1245 H 25 pz Ryd( 2p) 0.00035 0.00000 1246 H 25 pz Ryd( 3p) 0.00004 0.00000 1247 H 25 pz Ryd( 4p) 0.00001 0.00000 1248 H 25 dxy Ryd( 3d) 0.00012 0.00000 1249 H 25 dxy Ryd( 4d) 0.00000 0.00000 1250 H 25 dxz Ryd( 3d) 0.00013 0.00000 1251 H 25 dxz Ryd( 4d) 0.00000 0.00000 1252 H 25 dyz Ryd( 3d) 0.00001 0.00000 1253 H 25 dyz Ryd( 4d) 0.00000 0.00000 1254 H 25 dx2y2 Ryd( 3d) 0.00011 0.00000 1255 H 25 dx2y2 Ryd( 4d) 0.00001 0.00000 1256 H 25 dz2 Ryd( 3d) 0.00006 0.00000 1257 H 25 dz2 Ryd( 4d) 0.00000 0.00000 1258 H 25 f(0) Ryd( 4f) 0.00001 0.00000 1259 H 25 f(c1) Ryd( 4f) 0.00002 0.00000 1260 H 25 f(s1) Ryd( 4f) 0.00000 0.00000 1261 H 25 f(c2) Ryd( 4f) 0.00001 0.00000 1262 H 25 f(s2) Ryd( 4f) 0.00000 0.00000 1263 H 25 f(c3) Ryd( 4f) 0.00004 0.00000 1264 H 25 f(s3) Ryd( 4f) 0.00000 0.00000 1265 H 26 s Val( 1s) 0.74628 0.00000 1266 H 26 s Ryd( 3s) 0.00064 0.00000 1267 H 26 s Ryd( 2s) 0.00040 0.00000 1268 H 26 s Ryd( 4s) 0.00001 0.00000 1269 H 26 px Ryd( 2p) 0.00038 0.00000 1270 H 26 px Ryd( 3p) 0.00006 0.00000 1271 H 26 px Ryd( 4p) 0.00001 0.00000 1272 H 26 py Ryd( 2p) 0.00018 0.00000 1273 H 26 py Ryd( 3p) 0.00010 0.00000 1274 H 26 py Ryd( 4p) 0.00001 0.00000 1275 H 26 pz Ryd( 2p) 0.00073 0.00000 1276 H 26 pz Ryd( 3p) 0.00009 0.00000 1277 H 26 pz Ryd( 4p) 0.00001 0.00000 1278 H 26 dxy Ryd( 3d) 0.00002 0.00000 1279 H 26 dxy Ryd( 4d) 0.00000 0.00000 1280 H 26 dxz Ryd( 3d) 0.00012 0.00000 1281 H 26 dxz Ryd( 4d) 0.00000 0.00000 1282 H 26 dyz Ryd( 3d) 0.00009 0.00000 1283 H 26 dyz Ryd( 4d) 0.00000 0.00000 1284 H 26 dx2y2 Ryd( 3d) 0.00003 0.00000 1285 H 26 dx2y2 Ryd( 4d) 0.00000 0.00000 1286 H 26 dz2 Ryd( 3d) 0.00016 0.00000 1287 H 26 dz2 Ryd( 4d) 0.00001 0.00000 1288 H 26 f(0) Ryd( 4f) 0.00004 0.00000 1289 H 26 f(c1) Ryd( 4f) 0.00003 0.00000 1290 H 26 f(s1) Ryd( 4f) 0.00001 0.00000 1291 H 26 f(c2) Ryd( 4f) 0.00000 0.00000 1292 H 26 f(s2) Ryd( 4f) 0.00000 0.00000 1293 H 26 f(c3) Ryd( 4f) 0.00000 0.00000 1294 H 26 f(s3) Ryd( 4f) 0.00000 0.00000 1295 H 27 s Val( 1s) 0.75702 0.00000 1296 H 27 s Ryd( 3s) 0.00074 0.00000 1297 H 27 s Ryd( 2s) 0.00033 0.00000 1298 H 27 s Ryd( 4s) 0.00001 0.00000 1299 H 27 px Ryd( 2p) 0.00065 0.00000 1300 H 27 px Ryd( 3p) 0.00007 0.00000 1301 H 27 px Ryd( 4p) 0.00001 0.00000 1302 H 27 py Ryd( 2p) 0.00013 0.00000 1303 H 27 py Ryd( 3p) 0.00019 0.00000 1304 H 27 py Ryd( 4p) 0.00001 0.00000 1305 H 27 pz Ryd( 2p) 0.00032 0.00000 1306 H 27 pz Ryd( 3p) 0.00005 0.00000 1307 H 27 pz Ryd( 4p) 0.00001 0.00000 1308 H 27 dxy Ryd( 3d) 0.00009 0.00000 1309 H 27 dxy Ryd( 4d) 0.00000 0.00000 1310 H 27 dxz Ryd( 3d) 0.00012 0.00000 1311 H 27 dxz Ryd( 4d) 0.00001 0.00000 1312 H 27 dyz Ryd( 3d) 0.00004 0.00000 1313 H 27 dyz Ryd( 4d) 0.00000 0.00000 1314 H 27 dx2y2 Ryd( 3d) 0.00010 0.00000 1315 H 27 dx2y2 Ryd( 4d) 0.00000 0.00000 1316 H 27 dz2 Ryd( 3d) 0.00009 0.00000 1317 H 27 dz2 Ryd( 4d) 0.00000 0.00000 1318 H 27 f(0) Ryd( 4f) 0.00001 0.00000 1319 H 27 f(c1) Ryd( 4f) 0.00001 0.00000 1320 H 27 f(s1) Ryd( 4f) 0.00000 0.00000 1321 H 27 f(c2) Ryd( 4f) 0.00003 0.00000 1322 H 27 f(s2) Ryd( 4f) 0.00000 0.00000 1323 H 27 f(c3) Ryd( 4f) 0.00002 0.00000 1324 H 27 f(s3) Ryd( 4f) 0.00000 0.00000 1325 H 28 s Val( 1s) 0.74636 0.00000 1326 H 28 s Ryd( 2s) 0.00070 0.00000 1327 H 28 s Ryd( 3s) 0.00039 0.00000 1328 H 28 s Ryd( 4s) 0.00001 0.00000 1329 H 28 px Ryd( 2p) 0.00043 0.00000 1330 H 28 px Ryd( 3p) 0.00007 0.00000 1331 H 28 px Ryd( 4p) 0.00001 0.00000 1332 H 28 py Ryd( 2p) 0.00018 0.00000 1333 H 28 py Ryd( 3p) 0.00010 0.00000 1334 H 28 py Ryd( 4p) 0.00001 0.00000 1335 H 28 pz Ryd( 2p) 0.00069 0.00000 1336 H 28 pz Ryd( 3p) 0.00009 0.00000 1337 H 28 pz Ryd( 4p) 0.00001 0.00000 1338 H 28 dxy Ryd( 3d) 0.00002 0.00000 1339 H 28 dxy Ryd( 4d) 0.00000 0.00000 1340 H 28 dxz Ryd( 3d) 0.00012 0.00000 1341 H 28 dxz Ryd( 4d) 0.00000 0.00000 1342 H 28 dyz Ryd( 3d) 0.00009 0.00000 1343 H 28 dyz Ryd( 4d) 0.00000 0.00000 1344 H 28 dx2y2 Ryd( 3d) 0.00004 0.00000 1345 H 28 dx2y2 Ryd( 4d) 0.00000 0.00000 1346 H 28 dz2 Ryd( 3d) 0.00014 0.00000 1347 H 28 dz2 Ryd( 4d) 0.00001 0.00000 1348 H 28 f(0) Ryd( 4f) 0.00003 0.00000 1349 H 28 f(c1) Ryd( 4f) 0.00004 0.00000 1350 H 28 f(s1) Ryd( 4f) 0.00000 0.00000 1351 H 28 f(c2) Ryd( 4f) 0.00001 0.00000 1352 H 28 f(s2) Ryd( 4f) 0.00000 0.00000 1353 H 28 f(c3) Ryd( 4f) 0.00000 0.00000 1354 H 28 f(s3) Ryd( 4f) 0.00000 0.00000 1355 H 29 s Val( 1s) 0.75277 0.00000 1356 H 29 s Ryd( 2s) 0.00061 0.00000 1357 H 29 s Ryd( 3s) 0.00030 0.00000 1358 H 29 s Ryd( 4s) 0.00001 0.00000 1359 H 29 px Ryd( 2p) 0.00056 0.00000 1360 H 29 px Ryd( 3p) 0.00006 0.00000 1361 H 29 px Ryd( 4p) 0.00001 0.00000 1362 H 29 py Ryd( 2p) 0.00013 0.00000 1363 H 29 py Ryd( 3p) 0.00016 0.00000 1364 H 29 py Ryd( 4p) 0.00001 0.00000 1365 H 29 pz Ryd( 2p) 0.00040 0.00000 1366 H 29 pz Ryd( 3p) 0.00006 0.00000 1367 H 29 pz Ryd( 4p) 0.00001 0.00000 1368 H 29 dxy Ryd( 3d) 0.00008 0.00000 1369 H 29 dxy Ryd( 4d) 0.00000 0.00000 1370 H 29 dxz Ryd( 3d) 0.00012 0.00000 1371 H 29 dxz Ryd( 4d) 0.00001 0.00000 1372 H 29 dyz Ryd( 3d) 0.00007 0.00000 1373 H 29 dyz Ryd( 4d) 0.00000 0.00000 1374 H 29 dx2y2 Ryd( 3d) 0.00009 0.00000 1375 H 29 dx2y2 Ryd( 4d) 0.00000 0.00000 1376 H 29 dz2 Ryd( 3d) 0.00011 0.00000 1377 H 29 dz2 Ryd( 4d) 0.00000 0.00000 1378 H 29 f(0) Ryd( 4f) 0.00001 0.00000 1379 H 29 f(c1) Ryd( 4f) 0.00003 0.00000 1380 H 29 f(s1) Ryd( 4f) 0.00000 0.00000 1381 H 29 f(c2) Ryd( 4f) 0.00004 0.00000 1382 H 29 f(s2) Ryd( 4f) 0.00000 0.00000 1383 H 29 f(c3) Ryd( 4f) 0.00001 0.00000 1384 H 29 f(s3) Ryd( 4f) 0.00000 0.00000 [28 electrons found in the effective core potential] Summary of Natural Population Analysis: Natural Population Natural Natural --------------------------------------------- Spin Atom No Charge Core Valence Rydberg Total Density ------------------------------------------------------------------------------- Tc 1 -0.23130 35.99938 7.15656 0.07536 43.23130 0.00000 S 2 -0.06084 9.99998 6.00903 0.05183 16.06084 0.00000 S 3 -0.03137 9.99998 5.95948 0.07191 16.03137 0.00000 S 4 -0.03203 9.99998 5.96260 0.06945 16.03203 0.00000 S 5 -0.02903 9.99998 5.95697 0.07208 16.02903 0.00000 S 6 -0.06853 9.99998 6.01614 0.05240 16.06853 0.00000 C 7 -0.94066 1.99997 4.92163 0.01906 6.94066 0.00000 C 8 -0.94114 1.99997 4.92178 0.01939 6.94114 0.00000 C 9 -0.93705 1.99997 4.91849 0.01859 6.93705 0.00000 P 10 1.25304 9.99999 3.67792 0.06905 13.74696 0.00000 C 11 -0.27903 1.99997 4.24751 0.03155 6.27903 0.00000 C 12 -0.23925 1.99997 4.21007 0.02921 6.23925 0.00000 C 13 -0.27867 1.99997 4.24841 0.03028 6.27867 0.00000 C 14 -0.28327 1.99997 4.25208 0.03121 6.28327 0.00000 C 15 -0.23423 1.99997 4.20483 0.02942 6.23423 0.00000 H 16 0.22089 0.00000 0.77574 0.00337 0.77911 0.00000 H 17 0.22983 0.00000 0.76736 0.00281 0.77017 0.00000 H 18 0.24436 0.00000 0.75272 0.00292 0.75564 0.00000 H 19 0.22031 0.00000 0.77641 0.00327 0.77969 0.00000 H 20 0.24683 0.00000 0.75021 0.00295 0.75317 0.00000 H 21 0.24095 0.00000 0.75632 0.00274 0.75905 0.00000 H 22 0.22436 0.00000 0.77228 0.00335 0.77564 0.00000 H 23 0.23629 0.00000 0.76096 0.00274 0.76371 0.00000 H 24 0.22526 0.00000 0.77208 0.00266 0.77474 0.00000 H 25 0.25895 0.00000 0.73777 0.00328 0.74105 0.00000 H 26 0.25061 0.00000 0.74628 0.00311 0.74939 0.00000 H 27 0.23990 0.00000 0.75702 0.00307 0.76010 0.00000 H 28 0.25046 0.00000 0.74636 0.00318 0.74954 0.00000 H 29 0.24434 0.00000 0.75277 0.00289 0.75566 0.00000 =============================================================================== * Total * 0.00000 111.99906 87.28779 0.71315 200.00000 0.00000 Natural Population --------------------------------------------------------- Effective Core 28.00000 Core 83.99906 ( 99.9989% of 84) Valence 87.28779 ( 99.1907% of 88) Natural Minimal Basis 199.28685 ( 99.6434% of 200) Natural Rydberg Basis 0.71315 ( 0.3566% of 200) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Tc 1 [core]5s( 0.36)4d( 6.80)4f( 0.02)5d( 0.02)6p( 0.01)5f( 0.01) S 2 [core]3s( 1.77)3p( 4.24)3d( 0.03)4p( 0.01) S 3 [core]3s( 1.79)3p( 4.17)3d( 0.05)4p( 0.01) S 4 [core]3s( 1.80)3p( 4.16)3d( 0.05)4p( 0.01) S 5 [core]3s( 1.79)3p( 4.16)3d( 0.05)4p( 0.01) S 6 [core]3s( 1.77)3p( 4.24)3d( 0.03)4p( 0.01) C 7 [core]2s( 1.21)2p( 3.72)3d( 0.01) C 8 [core]2s( 1.20)2p( 3.72)3d( 0.01) C 9 [core]2s( 1.21)2p( 3.71)3d( 0.01) P 10 [core]3s( 1.15)3p( 2.53)3d( 0.04)4p( 0.01)4d( 0.01) C 11 [core]2s( 1.01)2p( 3.24)3p( 0.01)3d( 0.01) C 12 [core]2s( 1.01)2p( 3.20)3d( 0.01)4p( 0.01) C 13 [core]2s( 1.00)2p( 3.24)3p( 0.01)3d( 0.01) C 14 [core]2s( 1.00)2p( 3.25)3p( 0.01)3d( 0.01) C 15 [core]2s( 1.01)2p( 3.19)3d( 0.01)4p( 0.01) H 16 1s( 0.78) H 17 1s( 0.77) H 18 1s( 0.75) H 19 1s( 0.78) H 20 1s( 0.75) H 21 1s( 0.76) H 22 1s( 0.77) H 23 1s( 0.76) H 24 1s( 0.77) H 25 1s( 0.74) H 26 1s( 0.75) H 27 1s( 0.76) H 28 1s( 0.75) H 29 1s( 0.75) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.9142 0.1408 0.0392 0.1380 0.9016 0.0243 0.0252 0.0241 2. S 0.9142 0.0000 1.0018 0.1000 0.0181 0.1404 0.0039 0.0056 0.0019 3. S 0.1408 1.0018 0.0000 1.0203 0.1378 0.0178 0.0009 0.0025 0.0008 4. S 0.0392 0.1000 1.0203 0.0000 1.0176 0.0977 0.0004 0.0006 0.0003 5. S 0.1380 0.0181 0.1378 1.0176 0.0000 1.0056 0.0028 0.0009 0.0011 6. S 0.9016 0.1404 0.0178 0.0977 1.0056 0.0000 0.0077 0.0015 0.0038 7. C 0.0243 0.0039 0.0009 0.0004 0.0028 0.0077 0.0000 0.0133 0.0135 8. C 0.0252 0.0056 0.0025 0.0006 0.0009 0.0015 0.0133 0.0000 0.0133 9. C 0.0241 0.0019 0.0008 0.0003 0.0011 0.0038 0.0135 0.0133 0.0000 10. P 0.7175 0.0518 0.0145 0.0020 0.0142 0.0545 0.9096 0.9205 0.9117 11. C 0.1873 0.0226 0.0092 0.0069 0.0101 0.0245 0.0009 0.0021 0.0009 12. C 0.2411 0.0512 0.0043 0.0009 0.0093 0.0552 0.0006 0.0007 0.0008 13. C 0.3430 0.0711 0.0076 0.0020 0.0059 0.0196 0.0035 0.0022 0.0010 14. C 0.3314 0.0257 0.0081 0.0022 0.0073 0.0781 0.0023 0.0004 0.0043 15. C 0.2410 0.0511 0.0078 0.0010 0.0046 0.0427 0.0007 0.0006 0.0007 16. H 0.0089 0.0002 0.0002 0.0002 0.0002 0.0021 0.9305 0.0011 0.0015 17. H 0.0013 0.0001 0.0001 0.0000 0.0000 0.0003 0.9310 0.0085 0.0009 18. H 0.0016 0.0001 0.0000 0.0001 0.0008 0.0027 0.9212 0.0012 0.0081 19. H 0.0084 0.0019 0.0002 0.0001 0.0001 0.0007 0.0017 0.9323 0.0009 20. H 0.0016 0.0003 0.0001 0.0001 0.0001 0.0006 0.0009 0.9222 0.0084 21. H 0.0012 0.0015 0.0005 0.0000 0.0000 0.0001 0.0084 0.9240 0.0014 22. H 0.0079 0.0012 0.0003 0.0000 0.0003 0.0003 0.0011 0.0016 0.9294 23. H 0.0011 0.0002 0.0000 0.0000 0.0001 0.0002 0.0086 0.0010 0.9286 24. H 0.0016 0.0001 0.0000 0.0000 0.0000 0.0001 0.0013 0.0086 0.9322 25. H 0.0066 0.0003 0.0007 0.0001 0.0008 0.0003 0.0000 0.0001 0.0001 26. H 0.0060 0.0005 0.0003 0.0003 0.0009 0.0012 0.0000 0.0000 0.0000 27. H 0.0112 0.0007 0.0009 0.0002 0.0002 0.0002 0.0003 0.0000 0.0001 28. H 0.0061 0.0011 0.0011 0.0003 0.0003 0.0004 0.0000 0.0001 0.0000 29. H 0.0100 0.0003 0.0002 0.0001 0.0009 0.0008 0.0000 0.0000 0.0005 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.7175 0.1873 0.2411 0.3430 0.3314 0.2410 0.0089 0.0013 0.0016 2. S 0.0518 0.0226 0.0512 0.0711 0.0257 0.0511 0.0002 0.0001 0.0001 3. S 0.0145 0.0092 0.0043 0.0076 0.0081 0.0078 0.0002 0.0001 0.0000 4. S 0.0020 0.0069 0.0009 0.0020 0.0022 0.0010 0.0002 0.0000 0.0001 5. S 0.0142 0.0101 0.0093 0.0059 0.0073 0.0046 0.0002 0.0000 0.0008 6. S 0.0545 0.0245 0.0552 0.0196 0.0781 0.0427 0.0021 0.0003 0.0027 7. C 0.9096 0.0009 0.0006 0.0035 0.0023 0.0007 0.9305 0.9310 0.9212 8. C 0.9205 0.0021 0.0007 0.0022 0.0004 0.0006 0.0011 0.0085 0.0012 9. C 0.9117 0.0009 0.0008 0.0010 0.0043 0.0007 0.0015 0.0009 0.0081 10. P 0.0000 0.0788 0.0166 0.0381 0.0312 0.0225 0.0031 0.0030 0.0033 11. C 0.0788 0.0000 1.3188 0.0204 0.0203 1.3296 0.0016 0.0001 0.0001 12. C 0.0166 1.3188 0.0000 1.2861 0.0286 0.0166 0.0001 0.0000 0.0000 13. C 0.0381 0.0204 1.2861 0.0000 1.2002 0.0257 0.0017 0.0004 0.0001 14. C 0.0312 0.0203 0.0286 1.2002 0.0000 1.2872 0.0001 0.0001 0.0001 15. C 0.0225 1.3296 0.0166 0.0257 1.2872 0.0000 0.0006 0.0000 0.0000 16. H 0.0031 0.0016 0.0001 0.0017 0.0001 0.0006 0.0000 0.0009 0.0009 17. H 0.0030 0.0001 0.0000 0.0004 0.0001 0.0000 0.0009 0.0000 0.0011 18. H 0.0033 0.0001 0.0000 0.0001 0.0001 0.0000 0.0009 0.0011 0.0000 19. H 0.0028 0.0016 0.0005 0.0001 0.0004 0.0004 0.0002 0.0003 0.0001 20. H 0.0037 0.0002 0.0001 0.0000 0.0001 0.0000 0.0000 0.0001 0.0001 21. H 0.0033 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0012 0.0002 22. H 0.0032 0.0015 0.0004 0.0009 0.0022 0.0001 0.0002 0.0000 0.0001 23. H 0.0030 0.0001 0.0000 0.0001 0.0002 0.0000 0.0002 0.0001 0.0012 24. H 0.0031 0.0001 0.0001 0.0005 0.0003 0.0001 0.0001 0.0001 0.0001 25. H 0.0004 0.9023 0.0027 0.0079 0.0080 0.0027 0.0000 0.0000 0.0000 26. H 0.0001 0.0030 0.9045 0.0023 0.0088 0.0089 0.0000 0.0000 0.0000 27. H 0.0003 0.0074 0.0027 0.9076 0.0025 0.0076 0.0000 0.0004 0.0000 28. H 0.0001 0.0030 0.0089 0.0087 0.0024 0.9045 0.0000 0.0000 0.0000 29. H 0.0004 0.0075 0.0076 0.0025 0.9062 0.0027 0.0000 0.0000 0.0000 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0084 0.0016 0.0012 0.0079 0.0011 0.0016 0.0066 0.0060 0.0112 2. S 0.0019 0.0003 0.0015 0.0012 0.0002 0.0001 0.0003 0.0005 0.0007 3. S 0.0002 0.0001 0.0005 0.0003 0.0000 0.0000 0.0007 0.0003 0.0009 4. S 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0003 0.0002 5. S 0.0001 0.0001 0.0000 0.0003 0.0001 0.0000 0.0008 0.0009 0.0002 6. S 0.0007 0.0006 0.0001 0.0003 0.0002 0.0001 0.0003 0.0012 0.0002 7. C 0.0017 0.0009 0.0084 0.0011 0.0086 0.0013 0.0000 0.0000 0.0003 8. C 0.9323 0.9222 0.9240 0.0016 0.0010 0.0086 0.0001 0.0000 0.0000 9. C 0.0009 0.0084 0.0014 0.9294 0.9286 0.9322 0.0001 0.0000 0.0001 10. P 0.0028 0.0037 0.0033 0.0032 0.0030 0.0031 0.0004 0.0001 0.0003 11. C 0.0016 0.0002 0.0000 0.0015 0.0001 0.0001 0.9023 0.0030 0.0074 12. C 0.0005 0.0001 0.0000 0.0004 0.0000 0.0001 0.0027 0.9045 0.0027 13. C 0.0001 0.0000 0.0001 0.0009 0.0001 0.0005 0.0079 0.0023 0.9076 14. C 0.0004 0.0001 0.0000 0.0022 0.0002 0.0003 0.0080 0.0088 0.0025 15. C 0.0004 0.0000 0.0000 0.0001 0.0000 0.0001 0.0027 0.0089 0.0076 16. H 0.0002 0.0000 0.0001 0.0002 0.0002 0.0001 0.0000 0.0000 0.0000 17. H 0.0003 0.0001 0.0012 0.0000 0.0001 0.0001 0.0000 0.0000 0.0004 18. H 0.0001 0.0001 0.0002 0.0001 0.0012 0.0001 0.0000 0.0000 0.0000 19. H 0.0000 0.0009 0.0009 0.0002 0.0000 0.0001 0.0000 0.0000 0.0000 20. H 0.0009 0.0000 0.0012 0.0002 0.0001 0.0012 0.0000 0.0000 0.0000 21. H 0.0009 0.0012 0.0000 0.0001 0.0001 0.0002 0.0000 0.0000 0.0000 22. H 0.0002 0.0002 0.0001 0.0000 0.0009 0.0008 0.0001 0.0000 0.0000 23. H 0.0000 0.0001 0.0001 0.0009 0.0000 0.0010 0.0000 0.0000 0.0000 24. H 0.0001 0.0012 0.0002 0.0008 0.0010 0.0000 0.0000 0.0000 0.0002 25. H 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0013 0.0003 26. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0013 0.0000 0.0012 27. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0003 0.0012 0.0000 28. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0013 0.0005 0.0004 29. H 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0003 0.0004 0.0011 Atom 28 29 ---- ------ ------ 1. Tc 0.0061 0.0100 2. S 0.0011 0.0003 3. S 0.0011 0.0002 4. S 0.0003 0.0001 5. S 0.0003 0.0009 6. S 0.0004 0.0008 7. C 0.0000 0.0000 8. C 0.0001 0.0000 9. C 0.0000 0.0005 10. P 0.0001 0.0004 11. C 0.0030 0.0075 12. C 0.0089 0.0076 13. C 0.0087 0.0025 14. C 0.0024 0.9062 15. C 0.9045 0.0027 16. H 0.0000 0.0000 17. H 0.0000 0.0000 18. H 0.0000 0.0000 19. H 0.0000 0.0000 20. H 0.0000 0.0000 21. H 0.0000 0.0000 22. H 0.0000 0.0000 23. H 0.0000 0.0001 24. H 0.0000 0.0001 25. H 0.0013 0.0003 26. H 0.0005 0.0004 27. H 0.0004 0.0011 28. H 0.0000 0.0013 29. H 0.0013 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. Tc 4.3421 2. S 2.4679 3. S 2.3788 4. S 2.2926 5. S 2.3781 6. S 2.4603 7. C 3.7894 8. C 3.7904 9. C 3.7903 10. P 3.8132 11. C 3.9607 12. C 3.9586 13. C 3.9592 14. C 3.9587 15. C 3.9595 16. H 0.9546 17. H 0.9499 18. H 0.9431 19. H 0.9548 20. H 0.9420 21. H 0.9445 22. H 0.9531 23. H 0.9468 24. H 0.9518 25. H 0.9364 26. H 0.9404 27. H 0.9457 28. H 0.9406 29. H 0.9433 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.9561 0.3752 0.1980 0.3715 0.9495 0.1557 0.1587 0.1553 2. S 0.9561 0.0000 1.0009 0.3162 0.1345 0.3747 0.0624 0.0749 0.0440 3. S 0.3752 1.0009 0.0000 1.0101 0.3713 0.1333 0.0296 0.0504 0.0282 4. S 0.1980 0.3162 1.0101 0.0000 1.0088 0.3126 0.0196 0.0239 0.0177 5. S 0.3715 0.1345 0.3713 1.0088 0.0000 1.0028 0.0533 0.0295 0.0329 6. S 0.9495 0.3747 0.1333 0.3126 1.0028 0.0000 0.0875 0.0393 0.0613 7. C 0.1557 0.0624 0.0296 0.0196 0.0533 0.0875 0.0000 0.1155 0.1161 8. C 0.1587 0.0749 0.0504 0.0239 0.0295 0.0393 0.1155 0.0000 0.1153 9. C 0.1553 0.0440 0.0282 0.0177 0.0329 0.0613 0.1161 0.1153 0.0000 10. P 0.8471 0.2277 0.1204 0.0446 0.1193 0.2334 0.9537 0.9594 0.9548 11. C 0.4328 0.1503 0.0959 0.0829 0.1007 0.1566 0.0295 0.0459 0.0294 12. C 0.4910 0.2263 0.0655 0.0295 0.0963 0.2349 0.0238 0.0266 0.0288 13. C 0.5857 0.2666 0.0874 0.0442 0.0769 0.1399 0.0588 0.0469 0.0313 14. C 0.5757 0.1603 0.0898 0.0470 0.0854 0.2794 0.0484 0.0208 0.0656 15. C 0.4909 0.2260 0.0881 0.0324 0.0675 0.2066 0.0273 0.0236 0.0261 16. H 0.0942 0.0124 0.0142 0.0123 0.0139 0.0456 0.9646 0.0332 0.0389 17. H 0.0362 0.0116 0.0092 0.0049 0.0062 0.0159 0.9649 0.0923 0.0305 18. H 0.0401 0.0119 0.0060 0.0080 0.0274 0.0516 0.9598 0.0347 0.0900 19. H 0.0914 0.0436 0.0147 0.0079 0.0100 0.0264 0.0411 0.9656 0.0300 20. H 0.0396 0.0172 0.0090 0.0122 0.0102 0.0250 0.0302 0.9603 0.0914 21. H 0.0344 0.0382 0.0216 0.0054 0.0058 0.0121 0.0917 0.9613 0.0374 22. H 0.0891 0.0350 0.0183 0.0037 0.0160 0.0158 0.0337 0.0401 0.9641 23. H 0.0326 0.0152 0.0053 0.0059 0.0090 0.0125 0.0927 0.0318 0.9636 24. H 0.0402 0.0083 0.0040 0.0057 0.0041 0.0079 0.0361 0.0930 0.9655 25. H 0.0812 0.0164 0.0260 0.0104 0.0288 0.0183 0.0042 0.0101 0.0103 26. H 0.0774 0.0226 0.0176 0.0160 0.0295 0.0340 0.0050 0.0059 0.0051 27. H 0.1060 0.0268 0.0302 0.0127 0.0154 0.0151 0.0168 0.0058 0.0122 28. H 0.0784 0.0336 0.0325 0.0185 0.0171 0.0196 0.0055 0.0080 0.0037 29. H 0.1000 0.0185 0.0156 0.0113 0.0307 0.0289 0.0060 0.0068 0.0218 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.8471 0.4328 0.4910 0.5857 0.5757 0.4909 0.0942 0.0362 0.0401 2. S 0.2277 0.1503 0.2263 0.2666 0.1603 0.2260 0.0124 0.0116 0.0119 3. S 0.1204 0.0959 0.0655 0.0874 0.0898 0.0881 0.0142 0.0092 0.0060 4. S 0.0446 0.0829 0.0295 0.0442 0.0470 0.0324 0.0123 0.0049 0.0080 5. S 0.1193 0.1007 0.0963 0.0769 0.0854 0.0675 0.0139 0.0062 0.0274 6. S 0.2334 0.1566 0.2349 0.1399 0.2794 0.2066 0.0456 0.0159 0.0516 7. C 0.9537 0.0295 0.0238 0.0588 0.0484 0.0273 0.9646 0.9649 0.9598 8. C 0.9594 0.0459 0.0266 0.0469 0.0208 0.0236 0.0332 0.0923 0.0347 9. C 0.9548 0.0294 0.0288 0.0313 0.0656 0.0261 0.0389 0.0305 0.0900 10. P 0.0000 0.2807 0.1289 0.1951 0.1767 0.1499 0.0553 0.0544 0.0575 11. C 0.2807 0.0000 1.1484 0.1429 0.1425 1.1531 0.0399 0.0080 0.0100 12. C 0.1289 1.1484 0.0000 1.1341 0.1692 0.1288 0.0087 0.0065 0.0039 13. C 0.1951 0.1429 1.1341 0.0000 1.0956 0.1604 0.0418 0.0190 0.0083 14. C 0.1767 0.1425 0.1692 1.0956 0.0000 1.1346 0.0082 0.0083 0.0093 15. C 0.1499 1.1531 0.1288 0.1604 1.1346 0.0000 0.0249 0.0069 0.0062 16. H 0.0553 0.0399 0.0087 0.0418 0.0082 0.0249 0.0000 0.0297 0.0301 17. H 0.0544 0.0080 0.0065 0.0190 0.0083 0.0069 0.0297 0.0000 0.0325 18. H 0.0575 0.0100 0.0039 0.0083 0.0093 0.0062 0.0301 0.0325 0.0000 19. H 0.0529 0.0399 0.0233 0.0084 0.0208 0.0196 0.0151 0.0163 0.0100 20. H 0.0607 0.0132 0.0077 0.0062 0.0079 0.0049 0.0055 0.0074 0.0073 21. H 0.0573 0.0070 0.0054 0.0101 0.0045 0.0044 0.0086 0.0345 0.0129 22. H 0.0565 0.0384 0.0203 0.0296 0.0464 0.0122 0.0153 0.0057 0.0099 23. H 0.0550 0.0071 0.0064 0.0075 0.0143 0.0052 0.0148 0.0084 0.0344 24. H 0.0555 0.0084 0.0071 0.0218 0.0187 0.0074 0.0087 0.0077 0.0118 25. H 0.0192 0.9499 0.0515 0.0890 0.0896 0.0524 0.0018 0.0012 0.0024 26. H 0.0101 0.0548 0.9511 0.0485 0.0939 0.0945 0.0012 0.0015 0.0014 27. H 0.0187 0.0858 0.0519 0.9527 0.0495 0.0869 0.0055 0.0194 0.0031 28. H 0.0112 0.0552 0.0946 0.0931 0.0486 0.9510 0.0023 0.0016 0.0009 29. H 0.0205 0.0863 0.0874 0.0496 0.9519 0.0524 0.0031 0.0022 0.0053 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0914 0.0396 0.0344 0.0891 0.0326 0.0402 0.0812 0.0774 0.1060 2. S 0.0436 0.0172 0.0382 0.0350 0.0152 0.0083 0.0164 0.0226 0.0268 3. S 0.0147 0.0090 0.0216 0.0183 0.0053 0.0040 0.0260 0.0176 0.0302 4. S 0.0079 0.0122 0.0054 0.0037 0.0059 0.0057 0.0104 0.0160 0.0127 5. S 0.0100 0.0102 0.0058 0.0160 0.0090 0.0041 0.0288 0.0295 0.0154 6. S 0.0264 0.0250 0.0121 0.0158 0.0125 0.0079 0.0183 0.0340 0.0151 7. C 0.0411 0.0302 0.0917 0.0337 0.0927 0.0361 0.0042 0.0050 0.0168 8. C 0.9656 0.9603 0.9613 0.0401 0.0318 0.0930 0.0101 0.0059 0.0058 9. C 0.0300 0.0914 0.0374 0.9641 0.9636 0.9655 0.0103 0.0051 0.0122 10. P 0.0529 0.0607 0.0573 0.0565 0.0550 0.0555 0.0192 0.0101 0.0187 11. C 0.0399 0.0132 0.0070 0.0384 0.0071 0.0084 0.9499 0.0548 0.0858 12. C 0.0233 0.0077 0.0054 0.0203 0.0064 0.0071 0.0515 0.9511 0.0519 13. C 0.0084 0.0062 0.0101 0.0296 0.0075 0.0218 0.0890 0.0485 0.9527 14. C 0.0208 0.0079 0.0045 0.0464 0.0143 0.0187 0.0896 0.0939 0.0495 15. C 0.0196 0.0049 0.0044 0.0122 0.0052 0.0074 0.0524 0.0945 0.0869 16. H 0.0151 0.0055 0.0086 0.0153 0.0148 0.0087 0.0018 0.0012 0.0055 17. H 0.0163 0.0074 0.0345 0.0057 0.0084 0.0077 0.0012 0.0015 0.0194 18. H 0.0100 0.0073 0.0129 0.0099 0.0344 0.0118 0.0024 0.0014 0.0031 19. H 0.0000 0.0301 0.0297 0.0146 0.0051 0.0085 0.0028 0.0027 0.0040 20. H 0.0301 0.0000 0.0341 0.0129 0.0082 0.0339 0.0024 0.0018 0.0033 21. H 0.0297 0.0341 0.0000 0.0088 0.0076 0.0129 0.0011 0.0008 0.0031 22. H 0.0146 0.0129 0.0088 0.0000 0.0303 0.0288 0.0077 0.0028 0.0036 23. H 0.0051 0.0082 0.0076 0.0303 0.0000 0.0311 0.0013 0.0012 0.0029 24. H 0.0085 0.0339 0.0129 0.0288 0.0311 0.0000 0.0027 0.0014 0.0145 25. H 0.0028 0.0024 0.0011 0.0077 0.0013 0.0027 0.0000 0.0362 0.0181 26. H 0.0027 0.0018 0.0008 0.0028 0.0012 0.0014 0.0362 0.0000 0.0352 27. H 0.0040 0.0033 0.0031 0.0036 0.0029 0.0145 0.0181 0.0352 0.0000 28. H 0.0040 0.0020 0.0009 0.0019 0.0011 0.0017 0.0366 0.0222 0.0193 29. H 0.0018 0.0046 0.0016 0.0047 0.0092 0.0083 0.0185 0.0204 0.0328 Atom 28 29 ---- ------ ------ 1. Tc 0.0784 0.1000 2. S 0.0336 0.0185 3. S 0.0325 0.0156 4. S 0.0185 0.0113 5. S 0.0171 0.0307 6. S 0.0196 0.0289 7. C 0.0055 0.0060 8. C 0.0080 0.0068 9. C 0.0037 0.0218 10. P 0.0112 0.0205 11. C 0.0552 0.0863 12. C 0.0946 0.0874 13. C 0.0931 0.0496 14. C 0.0486 0.9519 15. C 0.9510 0.0524 16. H 0.0023 0.0031 17. H 0.0016 0.0022 18. H 0.0009 0.0053 19. H 0.0040 0.0018 20. H 0.0020 0.0046 21. H 0.0009 0.0016 22. H 0.0019 0.0047 23. H 0.0011 0.0092 24. H 0.0017 0.0083 25. H 0.0366 0.0185 26. H 0.0222 0.0204 27. H 0.0193 0.0328 28. H 0.0000 0.0356 29. H 0.0356 0.0000 *************************************************** ******* Alpha spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 Tc 1 s Cor( 4s) 0.99997 -2.79256 2 Tc 1 s Val( 5s) 0.18007 0.97081 3 Tc 1 s Ryd( 6s) 0.00169 4.83873 4 Tc 1 s Ryd( 9s) 0.00061 14.60372 5 Tc 1 s Ryd( 8s) 0.00007 6.93492 6 Tc 1 s Ryd( 7s) 0.00002 6.76545 7 Tc 1 s Ryd(10s) 0.00000 73.50697 8 Tc 1 px Cor( 4p) 0.99991 -1.70059 9 Tc 1 px Ryd( 6p) 0.00366 4.57691 10 Tc 1 px Ryd( 8p) 0.00042 4.86797 11 Tc 1 px Ryd( 5p) 0.00005 0.82621 12 Tc 1 px Ryd( 7p) 0.00004 6.01109 13 Tc 1 py Cor( 4p) 0.99990 -1.72008 14 Tc 1 py Ryd( 6p) 0.00119 5.85589 15 Tc 1 py Ryd( 8p) 0.00048 6.54951 16 Tc 1 py Ryd( 5p) 0.00014 0.53352 17 Tc 1 py Ryd( 7p) 0.00001 5.23142 18 Tc 1 pz Cor( 4p) 0.99990 -1.72225 19 Tc 1 pz Ryd( 6p) 0.00190 2.65288 20 Tc 1 pz Ryd( 8p) 0.00059 4.55510 21 Tc 1 pz Ryd( 5p) 0.00012 0.56411 22 Tc 1 pz Ryd( 7p) 0.00002 3.75553 23 Tc 1 dxy Val( 4d) 0.54665 -0.18374 24 Tc 1 dxy Ryd( 5d) 0.00254 1.39713 25 Tc 1 dxy Ryd( 6d) 0.00020 4.50985 26 Tc 1 dxy Ryd( 7d) 0.00004 5.44204 27 Tc 1 dxz Val( 4d) 0.85884 -0.18882 28 Tc 1 dxz Ryd( 5d) 0.00247 0.75309 29 Tc 1 dxz Ryd( 6d) 0.00048 2.45768 30 Tc 1 dxz Ryd( 7d) 0.00001 3.47640 31 Tc 1 dyz Val( 4d) 0.56086 -0.20780 32 Tc 1 dyz Ryd( 5d) 0.00170 1.29502 33 Tc 1 dyz Ryd( 6d) 0.00026 2.49911 34 Tc 1 dyz Ryd( 7d) 0.00005 4.63770 35 Tc 1 dx2y2 Val( 4d) 0.90229 -0.19508 36 Tc 1 dx2y2 Ryd( 5d) 0.00226 1.01599 37 Tc 1 dx2y2 Ryd( 6d) 0.00025 3.06738 38 Tc 1 dx2y2 Ryd( 7d) 0.00003 5.40818 39 Tc 1 dz2 Val( 4d) 0.52958 -0.19919 40 Tc 1 dz2 Ryd( 5d) 0.00283 0.81344 41 Tc 1 dz2 Ryd( 6d) 0.00017 2.34325 42 Tc 1 dz2 Ryd( 7d) 0.00003 4.47487 43 Tc 1 f(0) Ryd( 4f) 0.00057 1.71743 44 Tc 1 f(0) Ryd( 5f) 0.00047 2.59688 45 Tc 1 f(0) Ryd( 6f) 0.00004 2.95968 46 Tc 1 f(0) Ryd( 7f) 0.00000 5.26366 47 Tc 1 f(c1) Ryd( 4f) 0.00201 1.21995 48 Tc 1 f(c1) Ryd( 5f) 0.00040 2.46716 49 Tc 1 f(c1) Ryd( 6f) 0.00005 2.94421 50 Tc 1 f(c1) Ryd( 7f) 0.00000 5.66211 51 Tc 1 f(s1) Ryd( 4f) 0.00153 1.99065 52 Tc 1 f(s1) Ryd( 5f) 0.00054 3.51438 53 Tc 1 f(s1) Ryd( 6f) 0.00004 3.46832 54 Tc 1 f(s1) Ryd( 7f) 0.00000 5.63517 55 Tc 1 f(c2) Ryd( 4f) 0.00149 1.79824 56 Tc 1 f(c2) Ryd( 5f) 0.00033 3.11847 57 Tc 1 f(c2) Ryd( 6f) 0.00005 3.25150 58 Tc 1 f(c2) Ryd( 7f) 0.00000 5.60996 59 Tc 1 f(s2) Ryd( 4f) 0.00151 1.94185 60 Tc 1 f(s2) Ryd( 5f) 0.00026 3.72852 61 Tc 1 f(s2) Ryd( 6f) 0.00006 3.29186 62 Tc 1 f(s2) Ryd( 7f) 0.00000 5.19345 63 Tc 1 f(c3) Ryd( 4f) 0.00115 2.11267 64 Tc 1 f(c3) Ryd( 5f) 0.00024 3.76470 65 Tc 1 f(c3) Ryd( 6f) 0.00005 3.28387 66 Tc 1 f(c3) Ryd( 7f) 0.00001 5.74620 67 Tc 1 f(s3) Ryd( 4f) 0.00128 2.50138 68 Tc 1 f(s3) Ryd( 5f) 0.00028 3.26018 69 Tc 1 f(s3) Ryd( 6f) 0.00004 3.69398 70 Tc 1 f(s3) Ryd( 7f) 0.00000 5.52676 71 Tc 1 g(0) Ryd( 5g) 0.00011 2.91462 72 Tc 1 g(0) Ryd( 6g) 0.00000 5.45270 73 Tc 1 g(c1) Ryd( 5g) 0.00006 2.67397 74 Tc 1 g(c1) Ryd( 6g) 0.00000 5.49441 75 Tc 1 g(s1) Ryd( 5g) 0.00009 3.17947 76 Tc 1 g(s1) Ryd( 6g) 0.00001 5.49162 77 Tc 1 g(c2) Ryd( 5g) 0.00012 2.94659 78 Tc 1 g(c2) Ryd( 6g) 0.00000 5.44517 79 Tc 1 g(s2) Ryd( 5g) 0.00016 3.18358 80 Tc 1 g(s2) Ryd( 6g) 0.00000 5.56600 81 Tc 1 g(c3) Ryd( 5g) 0.00017 3.18382 82 Tc 1 g(c3) Ryd( 6g) 0.00000 5.38633 83 Tc 1 g(s3) Ryd( 5g) 0.00005 3.06643 84 Tc 1 g(s3) Ryd( 6g) 0.00000 5.40835 85 Tc 1 g(c4) Ryd( 5g) 0.00009 3.31178 86 Tc 1 g(c4) Ryd( 6g) 0.00001 5.47087 87 Tc 1 g(s4) Ryd( 5g) 0.00006 3.30512 88 Tc 1 g(s4) Ryd( 6g) 0.00001 5.52734 89 S 2 s Cor( 1s) 1.00000 -87.19372 90 S 2 s Cor( 2s) 1.00000 -9.37629 91 S 2 s Val( 3s) 0.88621 -0.54527 92 S 2 s Ryd( 4s) 0.00126 3.76838 93 S 2 s Ryd( 5s) 0.00004 5.19751 94 S 2 s Ryd( 6s) 0.00000 8.53423 95 S 2 s Ryd( 7s) 0.00000 40.34939 96 S 2 s Ryd( 9s) 0.00000 428.42877 97 S 2 s Ryd( 8s) 0.00000 76.96737 98 S 2 px Cor( 2p) 1.00000 -5.87683 99 S 2 px Val( 3p) 0.50724 -0.19749 100 S 2 px Ryd( 4p) 0.00160 1.30332 101 S 2 px Ryd( 5p) 0.00009 1.47667 102 S 2 px Ryd( 6p) 0.00001 4.92517 103 S 2 px Ryd( 7p) 0.00000 28.32721 104 S 2 py Cor( 2p) 1.00000 -5.86874 105 S 2 py Val( 3p) 0.79025 -0.22479 106 S 2 py Ryd( 4p) 0.00154 0.98093 107 S 2 py Ryd( 5p) 0.00011 1.25136 108 S 2 py Ryd( 6p) 0.00000 4.18755 109 S 2 py Ryd( 7p) 0.00000 28.35372 110 S 2 pz Cor( 2p) 1.00000 -5.86772 111 S 2 pz Val( 3p) 0.82081 -0.22313 112 S 2 pz Ryd( 4p) 0.00111 1.30032 113 S 2 pz Ryd( 5p) 0.00012 1.35310 114 S 2 pz Ryd( 6p) 0.00001 5.16247 115 S 2 pz Ryd( 7p) 0.00000 28.34211 116 S 2 dxy Ryd( 3d) 0.00303 0.84995 117 S 2 dxy Ryd( 4d) 0.00024 1.55963 118 S 2 dxy Ryd( 5d) 0.00000 4.05864 119 S 2 dxy Ryd( 6d) 0.00000 8.35352 120 S 2 dxz Ryd( 3d) 0.00352 1.09137 121 S 2 dxz Ryd( 4d) 0.00046 1.68629 122 S 2 dxz Ryd( 5d) 0.00001 4.30374 123 S 2 dxz Ryd( 6d) 0.00000 8.22661 124 S 2 dyz Ryd( 3d) 0.00302 1.05496 125 S 2 dyz Ryd( 4d) 0.00033 1.66423 126 S 2 dyz Ryd( 5d) 0.00000 4.24595 127 S 2 dyz Ryd( 6d) 0.00000 8.20053 128 S 2 dx2y2 Ryd( 3d) 0.00428 1.09153 129 S 2 dx2y2 Ryd( 4d) 0.00033 1.80112 130 S 2 dx2y2 Ryd( 5d) 0.00001 4.33626 131 S 2 dx2y2 Ryd( 6d) 0.00000 8.19834 132 S 2 dz2 Ryd( 3d) 0.00308 1.37867 133 S 2 dz2 Ryd( 4d) 0.00045 1.92728 134 S 2 dz2 Ryd( 5d) 0.00000 4.37641 135 S 2 dz2 Ryd( 6d) 0.00000 8.12824 136 S 2 f(0) Ryd( 4f) 0.00005 2.10479 137 S 2 f(0) Ryd( 5f) 0.00003 3.70621 138 S 2 f(c1) Ryd( 4f) 0.00012 2.18300 139 S 2 f(c1) Ryd( 5f) 0.00003 4.08374 140 S 2 f(s1) Ryd( 4f) 0.00014 1.98460 141 S 2 f(s1) Ryd( 5f) 0.00002 3.91523 142 S 2 f(c2) Ryd( 4f) 0.00014 2.09552 143 S 2 f(c2) Ryd( 5f) 0.00004 3.72586 144 S 2 f(s2) Ryd( 4f) 0.00011 1.86106 145 S 2 f(s2) Ryd( 5f) 0.00001 3.74203 146 S 2 f(c3) Ryd( 4f) 0.00025 2.02644 147 S 2 f(c3) Ryd( 5f) 0.00002 3.95313 148 S 2 f(s3) Ryd( 4f) 0.00018 1.96497 149 S 2 f(s3) Ryd( 5f) 0.00002 3.80815 150 S 2 g(0) Ryd( 5g) 0.00001 3.79750 151 S 2 g(c1) Ryd( 5g) 0.00001 3.75499 152 S 2 g(s1) Ryd( 5g) 0.00001 3.69515 153 S 2 g(c2) Ryd( 5g) 0.00002 3.80535 154 S 2 g(s2) Ryd( 5g) 0.00001 3.63142 155 S 2 g(c3) Ryd( 5g) 0.00001 3.63896 156 S 2 g(s3) Ryd( 5g) 0.00000 3.61467 157 S 2 g(c4) Ryd( 5g) 0.00002 3.68399 158 S 2 g(s4) Ryd( 5g) 0.00001 3.65929 159 S 3 s Cor( 1s) 1.00000 -87.72951 160 S 3 s Cor( 2s) 1.00000 -8.89642 161 S 3 s Val( 3s) 0.89701 -0.57849 162 S 3 s Ryd( 4s) 0.00203 2.04338 163 S 3 s Ryd( 6s) 0.00006 8.00873 164 S 3 s Ryd( 5s) 0.00000 6.31163 165 S 3 s Ryd( 7s) 0.00000 42.11450 166 S 3 s Ryd( 9s) 0.00000 260.20477 167 S 3 s Ryd( 8s) 0.00000 239.33678 168 S 3 px Cor( 2p) 1.00000 -5.90112 169 S 3 px Val( 3p) 0.59339 -0.22247 170 S 3 px Ryd( 4p) 0.00195 0.99611 171 S 3 px Ryd( 5p) 0.00013 1.14528 172 S 3 px Ryd( 6p) 0.00001 6.53276 173 S 3 px Ryd( 7p) 0.00000 28.02901 174 S 3 py Cor( 2p) 1.00000 -5.89509 175 S 3 py Val( 3p) 0.80438 -0.24015 176 S 3 py Ryd( 4p) 0.00123 0.64370 177 S 3 py Ryd( 5p) 0.00011 1.23446 178 S 3 py Ryd( 6p) 0.00000 5.08908 179 S 3 py Ryd( 7p) 0.00000 28.27725 180 S 3 pz Cor( 2p) 1.00000 -5.89859 181 S 3 pz Val( 3p) 0.68496 -0.23249 182 S 3 pz Ryd( 4p) 0.00159 0.82110 183 S 3 pz Ryd( 5p) 0.00011 1.16719 184 S 3 pz Ryd( 6p) 0.00000 5.64618 185 S 3 pz Ryd( 7p) 0.00000 28.16099 186 S 3 dxy Ryd( 3d) 0.00409 0.63919 187 S 3 dxy Ryd( 4d) 0.00006 1.69838 188 S 3 dxy Ryd( 5d) 0.00001 3.84821 189 S 3 dxy Ryd( 6d) 0.00000 8.44653 190 S 3 dxz Ryd( 3d) 0.00526 0.66684 191 S 3 dxz Ryd( 4d) 0.00014 1.80211 192 S 3 dxz Ryd( 5d) 0.00001 3.94979 193 S 3 dxz Ryd( 6d) 0.00000 8.49234 194 S 3 dyz Ryd( 3d) 0.00496 0.71294 195 S 3 dyz Ryd( 4d) 0.00008 1.83593 196 S 3 dyz Ryd( 5d) 0.00001 3.98427 197 S 3 dyz Ryd( 6d) 0.00000 8.40184 198 S 3 dx2y2 Ryd( 3d) 0.00697 0.71923 199 S 3 dx2y2 Ryd( 4d) 0.00008 1.82403 200 S 3 dx2y2 Ryd( 5d) 0.00001 4.18798 201 S 3 dx2y2 Ryd( 6d) 0.00000 8.15496 202 S 3 dz2 Ryd( 3d) 0.00484 0.68284 203 S 3 dz2 Ryd( 4d) 0.00010 1.84882 204 S 3 dz2 Ryd( 5d) 0.00001 3.94554 205 S 3 dz2 Ryd( 6d) 0.00000 8.29287 206 S 3 f(0) Ryd( 4f) 0.00012 1.70119 207 S 3 f(0) Ryd( 5f) 0.00001 3.66558 208 S 3 f(c1) Ryd( 4f) 0.00026 1.75349 209 S 3 f(c1) Ryd( 5f) 0.00001 3.85866 210 S 3 f(s1) Ryd( 4f) 0.00039 1.68184 211 S 3 f(s1) Ryd( 5f) 0.00001 3.85008 212 S 3 f(c2) Ryd( 4f) 0.00024 1.76149 213 S 3 f(c2) Ryd( 5f) 0.00002 3.74043 214 S 3 f(s2) Ryd( 4f) 0.00025 1.68170 215 S 3 f(s2) Ryd( 5f) 0.00001 3.76594 216 S 3 f(c3) Ryd( 4f) 0.00035 1.78683 217 S 3 f(c3) Ryd( 5f) 0.00002 3.84027 218 S 3 f(s3) Ryd( 4f) 0.00024 1.71703 219 S 3 f(s3) Ryd( 5f) 0.00001 3.69908 220 S 3 g(0) Ryd( 5g) 0.00001 3.57997 221 S 3 g(c1) Ryd( 5g) 0.00002 3.59100 222 S 3 g(s1) Ryd( 5g) 0.00002 3.58438 223 S 3 g(c2) Ryd( 5g) 0.00003 3.60349 224 S 3 g(s2) Ryd( 5g) 0.00002 3.56765 225 S 3 g(c3) Ryd( 5g) 0.00002 3.58550 226 S 3 g(s3) Ryd( 5g) 0.00001 3.55853 227 S 3 g(c4) Ryd( 5g) 0.00003 3.60003 228 S 3 g(s4) Ryd( 5g) 0.00003 3.60891 229 S 4 s Cor( 1s) 1.00000 -87.99390 230 S 4 s Cor( 2s) 1.00000 -8.63143 231 S 4 s Val( 3s) 0.90102 -0.58077 232 S 4 s Ryd( 4s) 0.00211 1.93398 233 S 4 s Ryd( 5s) 0.00002 7.13709 234 S 4 s Ryd( 6s) 0.00000 9.91710 235 S 4 s Ryd( 7s) 0.00000 43.44546 236 S 4 s Ryd( 8s) 0.00000 212.47050 237 S 4 s Ryd( 9s) 0.00000 284.48781 238 S 4 px Cor( 2p) 1.00000 -5.89369 239 S 4 px Val( 3p) 0.86058 -0.24477 240 S 4 px Ryd( 4p) 0.00119 0.58628 241 S 4 px Ryd( 5p) 0.00010 1.26251 242 S 4 px Ryd( 6p) 0.00000 4.57102 243 S 4 px Ryd( 7p) 0.00000 28.32472 244 S 4 py Cor( 2p) 1.00000 -5.89681 245 S 4 py Val( 3p) 0.73448 -0.23791 246 S 4 py Ryd( 4p) 0.00066 0.54891 247 S 4 py Ryd( 5p) 0.00013 1.26886 248 S 4 py Ryd( 6p) 0.00000 5.74012 249 S 4 py Ryd( 7p) 0.00000 28.22259 250 S 4 pz Cor( 2p) 1.00000 -5.90373 251 S 4 pz Val( 3p) 0.48522 -0.21214 252 S 4 pz Ryd( 4p) 0.00259 0.72830 253 S 4 pz Ryd( 5p) 0.00010 1.38886 254 S 4 pz Ryd( 6p) 0.00000 6.48557 255 S 4 pz Ryd( 7p) 0.00000 27.86899 256 S 4 dxy Ryd( 3d) 0.00365 0.54182 257 S 4 dxy Ryd( 4d) 0.00008 1.69640 258 S 4 dxy Ryd( 5d) 0.00000 3.59598 259 S 4 dxy Ryd( 6d) 0.00000 8.61567 260 S 4 dxz Ryd( 3d) 0.00390 0.67234 261 S 4 dxz Ryd( 4d) 0.00007 1.84268 262 S 4 dxz Ryd( 5d) 0.00001 3.83393 263 S 4 dxz Ryd( 6d) 0.00000 8.39058 264 S 4 dyz Ryd( 3d) 0.00868 0.87350 265 S 4 dyz Ryd( 4d) 0.00004 2.33450 266 S 4 dyz Ryd( 5d) 0.00001 4.15202 267 S 4 dyz Ryd( 6d) 0.00000 8.14261 268 S 4 dx2y2 Ryd( 3d) 0.00246 0.55425 269 S 4 dx2y2 Ryd( 4d) 0.00002 1.67344 270 S 4 dx2y2 Ryd( 5d) 0.00001 3.57832 271 S 4 dx2y2 Ryd( 6d) 0.00000 8.63864 272 S 4 dz2 Ryd( 3d) 0.00674 0.69718 273 S 4 dz2 Ryd( 4d) 0.00004 1.89389 274 S 4 dz2 Ryd( 5d) 0.00001 4.11391 275 S 4 dz2 Ryd( 6d) 0.00000 8.50398 276 S 4 f(0) Ryd( 4f) 0.00025 1.82339 277 S 4 f(0) Ryd( 5f) 0.00001 3.69573 278 S 4 f(c1) Ryd( 4f) 0.00038 1.75901 279 S 4 f(c1) Ryd( 5f) 0.00002 3.83947 280 S 4 f(s1) Ryd( 4f) 0.00059 2.02478 281 S 4 f(s1) Ryd( 5f) 0.00002 4.15172 282 S 4 f(c2) Ryd( 4f) 0.00010 1.69837 283 S 4 f(c2) Ryd( 5f) 0.00001 3.72398 284 S 4 f(s2) Ryd( 4f) 0.00030 1.69366 285 S 4 f(s2) Ryd( 5f) 0.00001 3.81508 286 S 4 f(c3) Ryd( 4f) 0.00011 1.44476 287 S 4 f(c3) Ryd( 5f) 0.00000 3.59864 288 S 4 f(s3) Ryd( 4f) 0.00011 1.42299 289 S 4 f(s3) Ryd( 5f) 0.00000 3.54587 290 S 4 g(0) Ryd( 5g) 0.00002 3.61849 291 S 4 g(c1) Ryd( 5g) 0.00002 3.57789 292 S 4 g(s1) Ryd( 5g) 0.00004 3.74082 293 S 4 g(c2) Ryd( 5g) 0.00003 3.67683 294 S 4 g(s2) Ryd( 5g) 0.00004 3.68826 295 S 4 g(c3) Ryd( 5g) 0.00002 3.56343 296 S 4 g(s3) Ryd( 5g) 0.00001 3.54608 297 S 4 g(c4) Ryd( 5g) 0.00000 3.32067 298 S 4 g(s4) Ryd( 5g) 0.00000 3.33283 299 S 5 s Cor( 1s) 1.00000 -87.72005 300 S 5 s Cor( 2s) 1.00000 -8.90640 301 S 5 s Val( 3s) 0.89610 -0.57821 302 S 5 s Ryd( 4s) 0.00204 2.09221 303 S 5 s Ryd( 6s) 0.00005 8.04564 304 S 5 s Ryd( 5s) 0.00000 6.67243 305 S 5 s Ryd( 7s) 0.00000 41.80889 306 S 5 s Ryd( 9s) 0.00000 253.35057 307 S 5 s Ryd( 8s) 0.00000 245.97628 308 S 5 px Cor( 2p) 1.00000 -5.90163 309 S 5 px Val( 3p) 0.58360 -0.22173 310 S 5 px Ryd( 4p) 0.00201 0.97262 311 S 5 px Ryd( 5p) 0.00013 1.15866 312 S 5 px Ryd( 6p) 0.00001 6.55111 313 S 5 px Ryd( 7p) 0.00000 27.98532 314 S 5 py Cor( 2p) 1.00000 -5.89410 315 S 5 py Val( 3p) 0.84916 -0.24246 316 S 5 py Ryd( 4p) 0.00145 0.61177 317 S 5 py Ryd( 5p) 0.00011 1.23786 318 S 5 py Ryd( 6p) 0.00000 4.62039 319 S 5 py Ryd( 7p) 0.00000 28.33072 320 S 5 pz Cor( 2p) 1.00000 -5.89988 321 S 5 pz Val( 3p) 0.64962 -0.23148 322 S 5 pz Ryd( 4p) 0.00140 0.82354 323 S 5 pz Ryd( 5p) 0.00012 1.17103 324 S 5 pz Ryd( 6p) 0.00001 6.21873 325 S 5 pz Ryd( 7p) 0.00000 28.12346 326 S 5 dxy Ryd( 3d) 0.00359 0.63842 327 S 5 dxy Ryd( 4d) 0.00005 1.71071 328 S 5 dxy Ryd( 5d) 0.00001 3.85613 329 S 5 dxy Ryd( 6d) 0.00000 8.43398 330 S 5 dxz Ryd( 3d) 0.00580 0.67043 331 S 5 dxz Ryd( 4d) 0.00014 1.81225 332 S 5 dxz Ryd( 5d) 0.00001 3.96642 333 S 5 dxz Ryd( 6d) 0.00000 8.47056 334 S 5 dyz Ryd( 3d) 0.00386 0.66286 335 S 5 dyz Ryd( 4d) 0.00005 1.73849 336 S 5 dyz Ryd( 5d) 0.00001 3.86393 337 S 5 dyz Ryd( 6d) 0.00000 8.47495 338 S 5 dx2y2 Ryd( 3d) 0.00665 0.69044 339 S 5 dx2y2 Ryd( 4d) 0.00008 1.75353 340 S 5 dx2y2 Ryd( 5d) 0.00001 4.19772 341 S 5 dx2y2 Ryd( 6d) 0.00000 8.20944 342 S 5 dz2 Ryd( 3d) 0.00621 0.75114 343 S 5 dz2 Ryd( 4d) 0.00011 2.01840 344 S 5 dz2 Ryd( 5d) 0.00001 4.07752 345 S 5 dz2 Ryd( 6d) 0.00000 8.16205 346 S 5 f(0) Ryd( 4f) 0.00016 1.73711 347 S 5 f(0) Ryd( 5f) 0.00002 3.70716 348 S 5 f(c1) Ryd( 4f) 0.00032 1.84629 349 S 5 f(c1) Ryd( 5f) 0.00001 3.98059 350 S 5 f(s1) Ryd( 4f) 0.00032 1.68652 351 S 5 f(s1) Ryd( 5f) 0.00001 3.83082 352 S 5 f(c2) Ryd( 4f) 0.00019 1.69367 353 S 5 f(c2) Ryd( 5f) 0.00002 3.64939 354 S 5 f(s2) Ryd( 4f) 0.00020 1.63512 355 S 5 f(s2) Ryd( 5f) 0.00001 3.71655 356 S 5 f(c3) Ryd( 4f) 0.00037 1.77466 357 S 5 f(c3) Ryd( 5f) 0.00001 3.82147 358 S 5 f(s3) Ryd( 4f) 0.00030 1.72868 359 S 5 f(s3) Ryd( 5f) 0.00001 3.71958 360 S 5 g(0) Ryd( 5g) 0.00001 3.63983 361 S 5 g(c1) Ryd( 5g) 0.00003 3.64276 362 S 5 g(s1) Ryd( 5g) 0.00002 3.57308 363 S 5 g(c2) Ryd( 5g) 0.00002 3.61808 364 S 5 g(s2) Ryd( 5g) 0.00002 3.57614 365 S 5 g(c3) Ryd( 5g) 0.00001 3.52471 366 S 5 g(s3) Ryd( 5g) 0.00001 3.51063 367 S 5 g(c4) Ryd( 5g) 0.00003 3.60620 368 S 5 g(s4) Ryd( 5g) 0.00003 3.63045 369 S 6 s Cor( 1s) 1.00000 -87.16519 370 S 6 s Cor( 2s) 1.00000 -9.40688 371 S 6 s Val( 3s) 0.88612 -0.54624 372 S 6 s Ryd( 4s) 0.00145 3.87183 373 S 6 s Ryd( 5s) 0.00004 5.00477 374 S 6 s Ryd( 6s) 0.00000 8.57493 375 S 6 s Ryd( 7s) 0.00000 40.53198 376 S 6 s Ryd( 9s) 0.00000 428.17701 377 S 6 s Ryd( 8s) 0.00000 76.97983 378 S 6 px Cor( 2p) 1.00000 -5.87783 379 S 6 px Val( 3p) 0.50767 -0.19734 380 S 6 px Ryd( 4p) 0.00156 1.27560 381 S 6 px Ryd( 5p) 0.00008 1.64135 382 S 6 px Ryd( 6p) 0.00001 4.83041 383 S 6 px Ryd( 7p) 0.00000 28.32361 384 S 6 py Cor( 2p) 1.00000 -5.86993 385 S 6 py Val( 3p) 0.78707 -0.22671 386 S 6 py Ryd( 4p) 0.00161 1.01051 387 S 6 py Ryd( 5p) 0.00011 1.33128 388 S 6 py Ryd( 6p) 0.00000 4.46098 389 S 6 py Ryd( 7p) 0.00000 28.34294 390 S 6 pz Cor( 2p) 1.00000 -5.86863 391 S 6 pz Val( 3p) 0.82721 -0.22355 392 S 6 pz Ryd( 4p) 0.00108 1.19593 393 S 6 pz Ryd( 5p) 0.00012 1.37433 394 S 6 pz Ryd( 6p) 0.00001 4.87216 395 S 6 pz Ryd( 7p) 0.00000 28.34235 396 S 6 dxy Ryd( 3d) 0.00356 0.90337 397 S 6 dxy Ryd( 4d) 0.00020 1.60714 398 S 6 dxy Ryd( 5d) 0.00000 4.04272 399 S 6 dxy Ryd( 6d) 0.00000 8.35350 400 S 6 dxz Ryd( 3d) 0.00310 0.99464 401 S 6 dxz Ryd( 4d) 0.00045 1.68699 402 S 6 dxz Ryd( 5d) 0.00001 4.17279 403 S 6 dxz Ryd( 6d) 0.00000 8.32946 404 S 6 dyz Ryd( 3d) 0.00340 1.12768 405 S 6 dyz Ryd( 4d) 0.00038 1.71800 406 S 6 dyz Ryd( 5d) 0.00001 4.31531 407 S 6 dyz Ryd( 6d) 0.00000 8.10227 408 S 6 dx2y2 Ryd( 3d) 0.00468 1.18050 409 S 6 dx2y2 Ryd( 4d) 0.00037 2.00876 410 S 6 dx2y2 Ryd( 5d) 0.00001 4.42108 411 S 6 dx2y2 Ryd( 6d) 0.00000 8.21453 412 S 6 dz2 Ryd( 3d) 0.00232 1.24497 413 S 6 dz2 Ryd( 4d) 0.00032 1.87922 414 S 6 dz2 Ryd( 5d) 0.00000 4.22811 415 S 6 dz2 Ryd( 6d) 0.00000 8.27046 416 S 6 f(0) Ryd( 4f) 0.00007 1.99835 417 S 6 f(0) Ryd( 5f) 0.00003 3.63045 418 S 6 f(c1) Ryd( 4f) 0.00014 2.07672 419 S 6 f(c1) Ryd( 5f) 0.00003 4.04264 420 S 6 f(s1) Ryd( 4f) 0.00016 1.97165 421 S 6 f(s1) Ryd( 5f) 0.00002 3.93948 422 S 6 f(c2) Ryd( 4f) 0.00015 2.18797 423 S 6 f(c2) Ryd( 5f) 0.00004 3.73964 424 S 6 f(s2) Ryd( 4f) 0.00012 1.89328 425 S 6 f(s2) Ryd( 5f) 0.00001 3.74479 426 S 6 f(c3) Ryd( 4f) 0.00024 2.09029 427 S 6 f(c3) Ryd( 5f) 0.00002 3.97793 428 S 6 f(s3) Ryd( 4f) 0.00017 2.02539 429 S 6 f(s3) Ryd( 5f) 0.00003 3.83108 430 S 6 g(0) Ryd( 5g) 0.00001 3.69520 431 S 6 g(c1) Ryd( 5g) 0.00001 3.69872 432 S 6 g(s1) Ryd( 5g) 0.00001 3.76520 433 S 6 g(c2) Ryd( 5g) 0.00002 3.76038 434 S 6 g(s2) Ryd( 5g) 0.00001 3.65041 435 S 6 g(c3) Ryd( 5g) 0.00001 3.66853 436 S 6 g(s3) Ryd( 5g) 0.00000 3.67168 437 S 6 g(c4) Ryd( 5g) 0.00002 3.71785 438 S 6 g(s4) Ryd( 5g) 0.00002 3.68434 439 C 7 s Cor( 1s) 0.99999 -10.19389 440 C 7 s Val( 2s) 0.60302 -0.29550 441 C 7 s Ryd( 3s) 0.00112 2.99356 442 C 7 s Ryd( 4s) 0.00002 4.64144 443 C 7 s Ryd( 5s) 0.00000 10.32478 444 C 7 s Ryd( 6s) 0.00000 13.92174 445 C 7 s Ryd( 7s) 0.00000 132.98497 446 C 7 px Val( 2p) 0.61620 -0.11903 447 C 7 px Ryd( 3p) 0.00037 0.90958 448 C 7 px Ryd( 4p) 0.00007 1.04845 449 C 7 px Ryd( 5p) 0.00000 5.02640 450 C 7 py Val( 2p) 0.61936 -0.11637 451 C 7 py Ryd( 3p) 0.00034 0.87460 452 C 7 py Ryd( 4p) 0.00004 1.17838 453 C 7 py Ryd( 5p) 0.00000 4.83301 454 C 7 pz Val( 2p) 0.62224 -0.13398 455 C 7 pz Ryd( 3p) 0.00092 1.02156 456 C 7 pz Ryd( 4p) 0.00006 1.62584 457 C 7 pz Ryd( 5p) 0.00000 6.39474 458 C 7 dxy Ryd( 3d) 0.00094 1.79174 459 C 7 dxy Ryd( 4d) 0.00002 4.07417 460 C 7 dxy Ryd( 5d) 0.00000 8.02374 461 C 7 dxz Ryd( 3d) 0.00119 1.94834 462 C 7 dxz Ryd( 4d) 0.00005 3.72818 463 C 7 dxz Ryd( 5d) 0.00000 8.07349 464 C 7 dyz Ryd( 3d) 0.00066 1.79749 465 C 7 dyz Ryd( 4d) 0.00007 3.94892 466 C 7 dyz Ryd( 5d) 0.00000 8.11774 467 C 7 dx2y2 Ryd( 3d) 0.00086 1.71913 468 C 7 dx2y2 Ryd( 4d) 0.00003 3.81844 469 C 7 dx2y2 Ryd( 5d) 0.00000 7.67502 470 C 7 dz2 Ryd( 3d) 0.00123 2.15581 471 C 7 dz2 Ryd( 4d) 0.00009 3.70512 472 C 7 dz2 Ryd( 5d) 0.00000 8.11033 473 C 7 f(0) Ryd( 4f) 0.00014 2.91810 474 C 7 f(0) Ryd( 5f) 0.00001 7.55529 475 C 7 f(c1) Ryd( 4f) 0.00020 3.03244 476 C 7 f(c1) Ryd( 5f) 0.00001 7.72267 477 C 7 f(s1) Ryd( 4f) 0.00007 3.01264 478 C 7 f(s1) Ryd( 5f) 0.00001 8.24579 479 C 7 f(c2) Ryd( 4f) 0.00012 3.00392 480 C 7 f(c2) Ryd( 5f) 0.00000 7.96949 481 C 7 f(s2) Ryd( 4f) 0.00019 3.13892 482 C 7 f(s2) Ryd( 5f) 0.00000 8.18736 483 C 7 f(c3) Ryd( 4f) 0.00002 2.97056 484 C 7 f(c3) Ryd( 5f) 0.00000 8.49635 485 C 7 f(s3) Ryd( 4f) 0.00018 3.34312 486 C 7 f(s3) Ryd( 5f) 0.00000 8.20033 487 C 7 g(0) Ryd( 5g) 0.00003 5.89798 488 C 7 g(c1) Ryd( 5g) 0.00006 6.02073 489 C 7 g(s1) Ryd( 5g) 0.00004 5.96338 490 C 7 g(c2) Ryd( 5g) 0.00004 5.93546 491 C 7 g(s2) Ryd( 5g) 0.00007 5.99044 492 C 7 g(c3) Ryd( 5g) 0.00005 5.95278 493 C 7 g(s3) Ryd( 5g) 0.00008 5.98251 494 C 7 g(c4) Ryd( 5g) 0.00005 5.95780 495 C 7 g(s4) Ryd( 5g) 0.00006 6.02560 496 C 8 s Cor( 1s) 0.99999 -10.18990 497 C 8 s Val( 2s) 0.60203 -0.29146 498 C 8 s Ryd( 3s) 0.00104 3.01073 499 C 8 s Ryd( 4s) 0.00002 4.85446 500 C 8 s Ryd( 6s) 0.00000 15.06709 501 C 8 s Ryd( 5s) 0.00000 13.29133 502 C 8 s Ryd( 7s) 0.00000 127.22097 503 C 8 px Val( 2p) 0.61922 -0.10944 504 C 8 px Ryd( 3p) 0.00072 0.87821 505 C 8 px Ryd( 4p) 0.00009 1.08749 506 C 8 px Ryd( 5p) 0.00000 4.97317 507 C 8 py Val( 2p) 0.61656 -0.13101 508 C 8 py Ryd( 3p) 0.00064 0.96541 509 C 8 py Ryd( 4p) 0.00010 1.52695 510 C 8 py Ryd( 5p) 0.00000 6.65819 511 C 8 pz Val( 2p) 0.62307 -0.11706 512 C 8 pz Ryd( 3p) 0.00039 0.84042 513 C 8 pz Ryd( 4p) 0.00005 1.17147 514 C 8 pz Ryd( 5p) 0.00000 5.36187 515 C 8 dxy Ryd( 3d) 0.00043 1.72476 516 C 8 dxy Ryd( 4d) 0.00010 3.92899 517 C 8 dxy Ryd( 5d) 0.00000 8.16664 518 C 8 dxz Ryd( 3d) 0.00089 1.67737 519 C 8 dxz Ryd( 4d) 0.00004 3.74492 520 C 8 dxz Ryd( 5d) 0.00000 7.50890 521 C 8 dyz Ryd( 3d) 0.00119 2.07493 522 C 8 dyz Ryd( 4d) 0.00004 3.62688 523 C 8 dyz Ryd( 5d) 0.00000 8.08068 524 C 8 dx2y2 Ryd( 3d) 0.00160 2.15948 525 C 8 dx2y2 Ryd( 4d) 0.00003 3.81926 526 C 8 dx2y2 Ryd( 5d) 0.00000 8.29345 527 C 8 dz2 Ryd( 3d) 0.00083 1.82745 528 C 8 dz2 Ryd( 4d) 0.00004 4.11631 529 C 8 dz2 Ryd( 5d) 0.00000 8.29614 530 C 8 f(0) Ryd( 4f) 0.00031 3.34032 531 C 8 f(0) Ryd( 5f) 0.00000 8.13433 532 C 8 f(c1) Ryd( 4f) 0.00008 3.13820 533 C 8 f(c1) Ryd( 5f) 0.00000 8.41431 534 C 8 f(s1) Ryd( 4f) 0.00004 2.89592 535 C 8 f(s1) Ryd( 5f) 0.00001 8.14081 536 C 8 f(c2) Ryd( 4f) 0.00004 2.99872 537 C 8 f(c2) Ryd( 5f) 0.00001 7.75538 538 C 8 f(s2) Ryd( 4f) 0.00007 2.99403 539 C 8 f(s2) Ryd( 5f) 0.00000 7.79960 540 C 8 f(c3) Ryd( 4f) 0.00002 2.91954 541 C 8 f(c3) Ryd( 5f) 0.00001 8.38090 542 C 8 f(s3) Ryd( 4f) 0.00037 3.19869 543 C 8 f(s3) Ryd( 5f) 0.00000 7.70337 544 C 8 g(0) Ryd( 5g) 0.00010 5.99631 545 C 8 g(c1) Ryd( 5g) 0.00007 6.00271 546 C 8 g(s1) Ryd( 5g) 0.00007 5.93810 547 C 8 g(c2) Ryd( 5g) 0.00001 5.93567 548 C 8 g(s2) Ryd( 5g) 0.00003 5.94781 549 C 8 g(c3) Ryd( 5g) 0.00001 5.91068 550 C 8 g(s3) Ryd( 5g) 0.00006 6.11901 551 C 8 g(c4) Ryd( 5g) 0.00008 5.96839 552 C 8 g(s4) Ryd( 5g) 0.00006 5.94495 553 C 9 s Cor( 1s) 0.99999 -10.19906 554 C 9 s Val( 2s) 0.60254 -0.29955 555 C 9 s Ryd( 3s) 0.00105 2.98893 556 C 9 s Ryd( 4s) 0.00002 4.78104 557 C 9 s Ryd( 5s) 0.00000 9.34517 558 C 9 s Ryd( 6s) 0.00000 23.43402 559 C 9 s Ryd( 7s) 0.00000 122.15204 560 C 9 px Val( 2p) 0.61757 -0.13246 561 C 9 px Ryd( 3p) 0.00062 0.98363 562 C 9 px Ryd( 4p) 0.00008 1.44883 563 C 9 px Ryd( 5p) 0.00000 5.79890 564 C 9 py Val( 2p) 0.61882 -0.12363 565 C 9 py Ryd( 3p) 0.00057 0.95744 566 C 9 py Ryd( 4p) 0.00004 1.27824 567 C 9 py Ryd( 5p) 0.00000 5.49468 568 C 9 pz Val( 2p) 0.62031 -0.12579 569 C 9 pz Ryd( 3p) 0.00037 0.88932 570 C 9 pz Ryd( 4p) 0.00003 1.28556 571 C 9 pz Ryd( 5p) 0.00000 5.32649 572 C 9 dxy Ryd( 3d) 0.00125 2.14687 573 C 9 dxy Ryd( 4d) 0.00004 4.04202 574 C 9 dxy Ryd( 5d) 0.00000 8.51995 575 C 9 dxz Ryd( 3d) 0.00131 2.02894 576 C 9 dxz Ryd( 4d) 0.00004 3.66870 577 C 9 dxz Ryd( 5d) 0.00000 8.00050 578 C 9 dyz Ryd( 3d) 0.00097 1.86294 579 C 9 dyz Ryd( 4d) 0.00006 3.86018 580 C 9 dyz Ryd( 5d) 0.00000 7.80559 581 C 9 dx2y2 Ryd( 3d) 0.00063 1.67436 582 C 9 dx2y2 Ryd( 4d) 0.00008 3.59489 583 C 9 dx2y2 Ryd( 5d) 0.00000 7.72936 584 C 9 dz2 Ryd( 3d) 0.00067 1.79885 585 C 9 dz2 Ryd( 4d) 0.00005 4.03392 586 C 9 dz2 Ryd( 5d) 0.00000 8.08795 587 C 9 f(0) Ryd( 4f) 0.00022 3.20268 588 C 9 f(0) Ryd( 5f) 0.00000 8.20412 589 C 9 f(c1) Ryd( 4f) 0.00012 3.01152 590 C 9 f(c1) Ryd( 5f) 0.00000 7.84073 591 C 9 f(s1) Ryd( 4f) 0.00006 3.11031 592 C 9 f(s1) Ryd( 5f) 0.00000 8.45737 593 C 9 f(c2) Ryd( 4f) 0.00004 3.04959 594 C 9 f(c2) Ryd( 5f) 0.00001 7.70281 595 C 9 f(s2) Ryd( 4f) 0.00013 2.99503 596 C 9 f(s2) Ryd( 5f) 0.00000 8.11014 597 C 9 f(c3) Ryd( 4f) 0.00006 3.00032 598 C 9 f(c3) Ryd( 5f) 0.00001 8.22216 599 C 9 f(s3) Ryd( 4f) 0.00028 3.13958 600 C 9 f(s3) Ryd( 5f) 0.00000 7.87077 601 C 9 g(0) Ryd( 5g) 0.00007 5.94524 602 C 9 g(c1) Ryd( 5g) 0.00006 5.98004 603 C 9 g(s1) Ryd( 5g) 0.00006 6.03626 604 C 9 g(c2) Ryd( 5g) 0.00002 5.88296 605 C 9 g(s2) Ryd( 5g) 0.00005 5.98255 606 C 9 g(c3) Ryd( 5g) 0.00002 5.95215 607 C 9 g(s3) Ryd( 5g) 0.00006 6.04440 608 C 9 g(c4) Ryd( 5g) 0.00006 5.95381 609 C 9 g(s4) Ryd( 5g) 0.00007 5.96249 610 P 10 s Cor( 1s) 1.00000 -72.78063 611 P 10 s Cor( 2s) 1.00000 -10.68411 612 P 10 s Val( 3s) 0.57337 -0.28500 613 P 10 s Ryd( 4s) 0.00233 3.58734 614 P 10 s Ryd( 5s) 0.00005 4.92045 615 P 10 s Ryd( 6s) 0.00000 7.11611 616 P 10 s Ryd( 7s) 0.00000 19.73936 617 P 10 s Ryd( 9s) 0.00000 227.21894 618 P 10 s Ryd( 8s) 0.00000 199.70588 619 P 10 px Cor( 2p) 1.00000 -4.70738 620 P 10 px Val( 3p) 0.48942 -0.08351 621 P 10 px Ryd( 4p) 0.00193 1.82087 622 P 10 px Ryd( 5p) 0.00010 3.14595 623 P 10 px Ryd( 6p) 0.00001 6.29863 624 P 10 px Ryd( 7p) 0.00000 15.84065 625 P 10 py Cor( 2p) 1.00000 -4.70919 626 P 10 py Val( 3p) 0.41248 -0.07449 627 P 10 py Ryd( 4p) 0.00288 1.36837 628 P 10 py Ryd( 5p) 0.00004 2.16235 629 P 10 py Ryd( 6p) 0.00002 6.07836 630 P 10 py Ryd( 7p) 0.00000 15.79848 631 P 10 pz Cor( 2p) 1.00000 -4.71044 632 P 10 pz Val( 3p) 0.36370 -0.06831 633 P 10 pz Ryd( 4p) 0.00160 1.19487 634 P 10 pz Ryd( 5p) 0.00007 1.43958 635 P 10 pz Ryd( 6p) 0.00002 5.93646 636 P 10 pz Ryd( 7p) 0.00000 15.83867 637 P 10 dxy Ryd( 3d) 0.00309 1.30143 638 P 10 dxy Ryd( 4d) 0.00107 3.20007 639 P 10 dxy Ryd( 5d) 0.00003 5.25616 640 P 10 dxy Ryd( 6d) 0.00000 6.21432 641 P 10 dxz Ryd( 3d) 0.00508 1.32350 642 P 10 dxz Ryd( 4d) 0.00033 2.94260 643 P 10 dxz Ryd( 5d) 0.00003 5.12032 644 P 10 dxz Ryd( 6d) 0.00000 6.39683 645 P 10 dyz Ryd( 3d) 0.00420 1.29749 646 P 10 dyz Ryd( 4d) 0.00038 2.50375 647 P 10 dyz Ryd( 5d) 0.00002 5.04593 648 P 10 dyz Ryd( 6d) 0.00000 6.25465 649 P 10 dx2y2 Ryd( 3d) 0.00513 1.30466 650 P 10 dx2y2 Ryd( 4d) 0.00040 3.18598 651 P 10 dx2y2 Ryd( 5d) 0.00003 4.99487 652 P 10 dx2y2 Ryd( 6d) 0.00000 6.44673 653 P 10 dz2 Ryd( 3d) 0.00307 1.29547 654 P 10 dz2 Ryd( 4d) 0.00063 2.73487 655 P 10 dz2 Ryd( 5d) 0.00002 5.18274 656 P 10 dz2 Ryd( 6d) 0.00000 6.20312 657 P 10 f(0) Ryd( 4f) 0.00020 2.91035 658 P 10 f(0) Ryd( 5f) 0.00003 4.27845 659 P 10 f(c1) Ryd( 4f) 0.00025 2.86540 660 P 10 f(c1) Ryd( 5f) 0.00003 4.59019 661 P 10 f(s1) Ryd( 4f) 0.00012 2.84535 662 P 10 f(s1) Ryd( 5f) 0.00002 4.22259 663 P 10 f(c2) Ryd( 4f) 0.00023 3.01941 664 P 10 f(c2) Ryd( 5f) 0.00002 4.45709 665 P 10 f(s2) Ryd( 4f) 0.00023 2.88040 666 P 10 f(s2) Ryd( 5f) 0.00003 4.32482 667 P 10 f(c3) Ryd( 4f) 0.00020 2.90050 668 P 10 f(c3) Ryd( 5f) 0.00004 3.99597 669 P 10 f(s3) Ryd( 4f) 0.00029 2.94271 670 P 10 f(s3) Ryd( 5f) 0.00006 4.59139 671 P 10 g(0) Ryd( 5g) 0.00002 3.60060 672 P 10 g(c1) Ryd( 5g) 0.00001 3.65076 673 P 10 g(s1) Ryd( 5g) 0.00001 3.67089 674 P 10 g(c2) Ryd( 5g) 0.00001 3.65526 675 P 10 g(s2) Ryd( 5g) 0.00003 3.65686 676 P 10 g(c3) Ryd( 5g) 0.00001 3.64238 677 P 10 g(s3) Ryd( 5g) 0.00002 3.64628 678 P 10 g(c4) Ryd( 5g) 0.00003 3.64082 679 P 10 g(s4) Ryd( 5g) 0.00004 3.66459 680 C 11 s Cor( 1s) 0.99999 -10.20899 681 C 11 s Val( 2s) 0.50603 -0.17450 682 C 11 s Ryd( 3s) 0.00144 4.57146 683 C 11 s Ryd( 4s) 0.00004 5.19429 684 C 11 s Ryd( 5s) 0.00000 11.97947 685 C 11 s Ryd( 6s) 0.00000 13.00652 686 C 11 s Ryd( 7s) 0.00000 128.84312 687 C 11 px Val( 2p) 0.59905 -0.03879 688 C 11 px Ryd( 3p) 0.00236 1.59206 689 C 11 px Ryd( 4p) 0.00019 2.05436 690 C 11 px Ryd( 5p) 0.00002 4.95642 691 C 11 py Val( 2p) 0.51613 -0.12294 692 C 11 py Ryd( 3p) 0.00188 0.96271 693 C 11 py Ryd( 4p) 0.00035 1.09678 694 C 11 py Ryd( 5p) 0.00001 4.19261 695 C 11 pz Val( 2p) 0.50254 -0.03109 696 C 11 pz Ryd( 3p) 0.00311 1.36939 697 C 11 pz Ryd( 4p) 0.00010 1.01547 698 C 11 pz Ryd( 5p) 0.00003 5.11148 699 C 11 dxy Ryd( 3d) 0.00118 1.68939 700 C 11 dxy Ryd( 4d) 0.00005 3.13144 701 C 11 dxy Ryd( 5d) 0.00001 7.05683 702 C 11 dxz Ryd( 3d) 0.00061 5.44325 703 C 11 dxz Ryd( 4d) 0.00015 5.04363 704 C 11 dxz Ryd( 5d) 0.00000 7.25498 705 C 11 dyz Ryd( 3d) 0.00013 1.63064 706 C 11 dyz Ryd( 4d) 0.00023 2.72222 707 C 11 dyz Ryd( 5d) 0.00000 6.77962 708 C 11 dx2y2 Ryd( 3d) 0.00093 3.17069 709 C 11 dx2y2 Ryd( 4d) 0.00024 4.26846 710 C 11 dx2y2 Ryd( 5d) 0.00001 9.01454 711 C 11 dz2 Ryd( 3d) 0.00031 3.02470 712 C 11 dz2 Ryd( 4d) 0.00038 3.91891 713 C 11 dz2 Ryd( 5d) 0.00000 7.27774 714 C 11 f(0) Ryd( 4f) 0.00019 3.70178 715 C 11 f(0) Ryd( 5f) 0.00001 7.79298 716 C 11 f(c1) Ryd( 4f) 0.00035 4.59634 717 C 11 f(c1) Ryd( 5f) 0.00001 8.17066 718 C 11 f(s1) Ryd( 4f) 0.00007 2.82109 719 C 11 f(s1) Ryd( 5f) 0.00000 7.18913 720 C 11 f(c2) Ryd( 4f) 0.00017 3.48273 721 C 11 f(c2) Ryd( 5f) 0.00001 8.10470 722 C 11 f(s2) Ryd( 4f) 0.00005 2.93030 723 C 11 f(s2) Ryd( 5f) 0.00001 7.45373 724 C 11 f(c3) Ryd( 4f) 0.00038 3.28926 725 C 11 f(c3) Ryd( 5f) 0.00000 7.44978 726 C 11 f(s3) Ryd( 4f) 0.00043 2.87042 727 C 11 f(s3) Ryd( 5f) 0.00000 7.85652 728 C 11 g(0) Ryd( 5g) 0.00005 6.37137 729 C 11 g(c1) Ryd( 5g) 0.00009 6.32254 730 C 11 g(s1) Ryd( 5g) 0.00000 6.04755 731 C 11 g(c2) Ryd( 5g) 0.00006 6.23108 732 C 11 g(s2) Ryd( 5g) 0.00007 6.03203 733 C 11 g(c3) Ryd( 5g) 0.00001 6.14411 734 C 11 g(s3) Ryd( 5g) 0.00000 6.18522 735 C 11 g(c4) Ryd( 5g) 0.00002 5.98698 736 C 11 g(s4) Ryd( 5g) 0.00002 5.88367 737 C 12 s Cor( 1s) 0.99999 -10.21695 738 C 12 s Val( 2s) 0.50554 -0.18122 739 C 12 s Ryd( 4s) 0.00114 4.97361 740 C 12 s Ryd( 3s) 0.00003 4.88548 741 C 12 s Ryd( 5s) 0.00000 12.11415 742 C 12 s Ryd( 6s) 0.00000 12.70717 743 C 12 s Ryd( 7s) 0.00000 129.38009 744 C 12 px Val( 2p) 0.50980 -0.03618 745 C 12 px Ryd( 4p) 0.00283 1.47308 746 C 12 px Ryd( 3p) 0.00013 0.95093 747 C 12 px Ryd( 5p) 0.00003 5.21075 748 C 12 py Val( 2p) 0.49966 -0.12751 749 C 12 py Ryd( 4p) 0.00124 0.95399 750 C 12 py Ryd( 3p) 0.00023 0.95565 751 C 12 py Ryd( 5p) 0.00001 4.36538 752 C 12 pz Val( 2p) 0.59003 -0.04814 753 C 12 pz Ryd( 4p) 0.00236 1.54442 754 C 12 pz Ryd( 3p) 0.00017 1.84013 755 C 12 pz Ryd( 5p) 0.00002 5.15130 756 C 12 dxy Ryd( 3d) 0.00021 1.59366 757 C 12 dxy Ryd( 4d) 0.00026 2.72267 758 C 12 dxy Ryd( 5d) 0.00000 6.80943 759 C 12 dxz Ryd( 3d) 0.00059 4.96943 760 C 12 dxz Ryd( 4d) 0.00018 4.91576 761 C 12 dxz Ryd( 5d) 0.00001 7.36756 762 C 12 dyz Ryd( 3d) 0.00137 1.77650 763 C 12 dyz Ryd( 4d) 0.00007 3.14600 764 C 12 dyz Ryd( 5d) 0.00000 7.07994 765 C 12 dx2y2 Ryd( 3d) 0.00067 3.33688 766 C 12 dx2y2 Ryd( 4d) 0.00028 3.20289 767 C 12 dx2y2 Ryd( 5d) 0.00001 7.38486 768 C 12 dz2 Ryd( 3d) 0.00058 3.27661 769 C 12 dz2 Ryd( 4d) 0.00028 5.03111 770 C 12 dz2 Ryd( 5d) 0.00001 8.61803 771 C 12 f(0) Ryd( 4f) 0.00033 3.97841 772 C 12 f(0) Ryd( 5f) 0.00001 7.87239 773 C 12 f(c1) Ryd( 4f) 0.00027 4.34160 774 C 12 f(c1) Ryd( 5f) 0.00001 8.22830 775 C 12 f(s1) Ryd( 4f) 0.00032 2.97679 776 C 12 f(s1) Ryd( 5f) 0.00000 7.76571 777 C 12 f(c2) Ryd( 4f) 0.00022 3.69359 778 C 12 f(c2) Ryd( 5f) 0.00001 7.78787 779 C 12 f(s2) Ryd( 4f) 0.00007 2.96829 780 C 12 f(s2) Ryd( 5f) 0.00000 7.46214 781 C 12 f(c3) Ryd( 4f) 0.00017 3.15464 782 C 12 f(c3) Ryd( 5f) 0.00001 7.45134 783 C 12 f(s3) Ryd( 4f) 0.00016 2.78404 784 C 12 f(s3) Ryd( 5f) 0.00001 7.19462 785 C 12 g(0) Ryd( 5g) 0.00006 6.21413 786 C 12 g(c1) Ryd( 5g) 0.00009 6.49078 787 C 12 g(s1) Ryd( 5g) 0.00003 5.99139 788 C 12 g(c2) Ryd( 5g) 0.00005 6.18384 789 C 12 g(s2) Ryd( 5g) 0.00003 6.19704 790 C 12 g(c3) Ryd( 5g) 0.00002 6.11782 791 C 12 g(s3) Ryd( 5g) 0.00002 6.08830 792 C 12 g(c4) Ryd( 5g) 0.00001 6.03075 793 C 12 g(s4) Ryd( 5g) 0.00001 5.84812 794 C 13 s Cor( 1s) 0.99999 -10.21799 795 C 13 s Val( 2s) 0.50174 -0.18589 796 C 13 s Ryd( 3s) 0.00150 4.79342 797 C 13 s Ryd( 4s) 0.00004 5.19536 798 C 13 s Ryd( 5s) 0.00000 9.88414 799 C 13 s Ryd( 6s) 0.00000 13.65897 800 C 13 s Ryd( 7s) 0.00000 129.81115 801 C 13 px Val( 2p) 0.57150 -0.04975 802 C 13 px Ryd( 3p) 0.00243 1.62980 803 C 13 px Ryd( 4p) 0.00017 1.87701 804 C 13 px Ryd( 5p) 0.00002 4.94982 805 C 13 py Val( 2p) 0.52777 -0.13080 806 C 13 py Ryd( 3p) 0.00160 0.93810 807 C 13 py Ryd( 4p) 0.00020 1.01756 808 C 13 py Ryd( 5p) 0.00001 4.29723 809 C 13 pz Val( 2p) 0.52320 -0.04478 810 C 13 pz Ryd( 3p) 0.00254 1.53431 811 C 13 pz Ryd( 4p) 0.00010 1.36700 812 C 13 pz Ryd( 5p) 0.00003 4.98328 813 C 13 dxy Ryd( 3d) 0.00109 1.70885 814 C 13 dxy Ryd( 4d) 0.00011 3.08525 815 C 13 dxy Ryd( 5d) 0.00001 6.99424 816 C 13 dxz Ryd( 3d) 0.00034 3.41549 817 C 13 dxz Ryd( 4d) 0.00036 4.97999 818 C 13 dxz Ryd( 5d) 0.00000 7.98373 819 C 13 dyz Ryd( 3d) 0.00048 1.64161 820 C 13 dyz Ryd( 4d) 0.00020 2.80203 821 C 13 dyz Ryd( 5d) 0.00000 6.88417 822 C 13 dx2y2 Ryd( 3d) 0.00094 3.72629 823 C 13 dx2y2 Ryd( 4d) 0.00017 4.12536 824 C 13 dx2y2 Ryd( 5d) 0.00001 8.27551 825 C 13 dz2 Ryd( 3d) 0.00072 4.60023 826 C 13 dz2 Ryd( 4d) 0.00019 4.35405 827 C 13 dz2 Ryd( 5d) 0.00001 7.16066 828 C 13 f(0) Ryd( 4f) 0.00025 4.12035 829 C 13 f(0) Ryd( 5f) 0.00001 7.91499 830 C 13 f(c1) Ryd( 4f) 0.00019 4.17650 831 C 13 f(c1) Ryd( 5f) 0.00001 8.19176 832 C 13 f(s1) Ryd( 4f) 0.00011 2.87128 833 C 13 f(s1) Ryd( 5f) 0.00001 7.27412 834 C 13 f(c2) Ryd( 4f) 0.00030 3.73107 835 C 13 f(c2) Ryd( 5f) 0.00001 7.63692 836 C 13 f(s2) Ryd( 4f) 0.00012 3.00682 837 C 13 f(s2) Ryd( 5f) 0.00000 7.49530 838 C 13 f(c3) Ryd( 4f) 0.00023 3.25979 839 C 13 f(c3) Ryd( 5f) 0.00000 7.64429 840 C 13 f(s3) Ryd( 4f) 0.00033 2.88448 841 C 13 f(s3) Ryd( 5f) 0.00000 7.66259 842 C 13 g(0) Ryd( 5g) 0.00006 6.23691 843 C 13 g(c1) Ryd( 5g) 0.00007 6.51807 844 C 13 g(s1) Ryd( 5g) 0.00003 5.94289 845 C 13 g(c2) Ryd( 5g) 0.00003 6.24312 846 C 13 g(s2) Ryd( 5g) 0.00000 6.32982 847 C 13 g(c3) Ryd( 5g) 0.00003 5.99668 848 C 13 g(s3) Ryd( 5g) 0.00005 5.92180 849 C 13 g(c4) Ryd( 5g) 0.00001 6.08053 850 C 13 g(s4) Ryd( 5g) 0.00000 5.94024 851 C 14 s Cor( 1s) 0.99999 -10.21502 852 C 14 s Val( 2s) 0.50191 -0.18424 853 C 14 s Ryd( 3s) 0.00157 4.77787 854 C 14 s Ryd( 4s) 0.00004 5.00095 855 C 14 s Ryd( 5s) 0.00000 11.19388 856 C 14 s Ryd( 6s) 0.00000 13.04607 857 C 14 s Ryd( 7s) 0.00000 129.50009 858 C 14 px Val( 2p) 0.55976 -0.04639 859 C 14 px Ryd( 3p) 0.00256 1.60139 860 C 14 px Ryd( 4p) 0.00016 1.69397 861 C 14 px Ryd( 5p) 0.00002 5.14603 862 C 14 py Val( 2p) 0.52580 -0.12998 863 C 14 py Ryd( 3p) 0.00176 0.93957 864 C 14 py Ryd( 4p) 0.00023 1.01998 865 C 14 py Ryd( 5p) 0.00001 4.33273 866 C 14 pz Val( 2p) 0.53858 -0.04308 867 C 14 pz Ryd( 3p) 0.00252 1.59091 868 C 14 pz Ryd( 4p) 0.00010 1.49450 869 C 14 pz Ryd( 5p) 0.00003 5.13711 870 C 14 dxy Ryd( 3d) 0.00095 1.67304 871 C 14 dxy Ryd( 4d) 0.00014 3.01716 872 C 14 dxy Ryd( 5d) 0.00000 6.96662 873 C 14 dxz Ryd( 3d) 0.00025 2.97149 874 C 14 dxz Ryd( 4d) 0.00040 5.06011 875 C 14 dxz Ryd( 5d) 0.00000 8.21478 876 C 14 dyz Ryd( 3d) 0.00064 1.65621 877 C 14 dyz Ryd( 4d) 0.00018 2.88617 878 C 14 dyz Ryd( 5d) 0.00000 6.89258 879 C 14 dx2y2 Ryd( 3d) 0.00101 3.84783 880 C 14 dx2y2 Ryd( 4d) 0.00017 3.94082 881 C 14 dx2y2 Ryd( 5d) 0.00001 8.08729 882 C 14 dz2 Ryd( 3d) 0.00077 4.95069 883 C 14 dz2 Ryd( 4d) 0.00017 4.48427 884 C 14 dz2 Ryd( 5d) 0.00001 7.31656 885 C 14 f(0) Ryd( 4f) 0.00024 4.04212 886 C 14 f(0) Ryd( 5f) 0.00001 8.03173 887 C 14 f(c1) Ryd( 4f) 0.00026 4.32408 888 C 14 f(c1) Ryd( 5f) 0.00001 8.09746 889 C 14 f(s1) Ryd( 4f) 0.00014 2.88288 890 C 14 f(s1) Ryd( 5f) 0.00001 7.36878 891 C 14 f(c2) Ryd( 4f) 0.00032 3.67269 892 C 14 f(c2) Ryd( 5f) 0.00001 7.58653 893 C 14 f(s2) Ryd( 4f) 0.00012 3.04413 894 C 14 f(s2) Ryd( 5f) 0.00000 7.53633 895 C 14 f(c3) Ryd( 4f) 0.00020 3.24051 896 C 14 f(c3) Ryd( 5f) 0.00001 7.67294 897 C 14 f(s3) Ryd( 4f) 0.00025 2.87626 898 C 14 f(s3) Ryd( 5f) 0.00000 7.55739 899 C 14 g(0) Ryd( 5g) 0.00006 6.34405 900 C 14 g(c1) Ryd( 5g) 0.00007 6.35189 901 C 14 g(s1) Ryd( 5g) 0.00002 5.99829 902 C 14 g(c2) Ryd( 5g) 0.00004 6.32231 903 C 14 g(s2) Ryd( 5g) 0.00003 6.23517 904 C 14 g(c3) Ryd( 5g) 0.00002 5.97831 905 C 14 g(s3) Ryd( 5g) 0.00004 5.96752 906 C 14 g(c4) Ryd( 5g) 0.00001 6.09141 907 C 14 g(s4) Ryd( 5g) 0.00000 5.93549 908 C 15 s Cor( 1s) 0.99999 -10.21614 909 C 15 s Val( 2s) 0.50562 -0.17963 910 C 15 s Ryd( 4s) 0.00117 4.99512 911 C 15 s Ryd( 3s) 0.00004 4.86142 912 C 15 s Ryd( 5s) 0.00000 12.18626 913 C 15 s Ryd( 6s) 0.00000 12.66627 914 C 15 s Ryd( 7s) 0.00000 129.30109 915 C 15 px Val( 2p) 0.51691 -0.03504 916 C 15 px Ryd( 4p) 0.00284 1.46878 917 C 15 px Ryd( 3p) 0.00014 1.03867 918 C 15 px Ryd( 5p) 0.00003 5.26541 919 C 15 py Val( 2p) 0.49409 -0.12858 920 C 15 py Ryd( 4p) 0.00125 0.94927 921 C 15 py Ryd( 3p) 0.00024 1.02441 922 C 15 py Ryd( 5p) 0.00001 4.32066 923 C 15 pz Val( 2p) 0.58580 -0.04418 924 C 15 pz Ryd( 4p) 0.00243 1.55161 925 C 15 pz Ryd( 3p) 0.00014 1.74178 926 C 15 pz Ryd( 5p) 0.00002 5.15409 927 C 15 dxy Ryd( 3d) 0.00036 1.59097 928 C 15 dxy Ryd( 4d) 0.00024 2.75921 929 C 15 dxy Ryd( 5d) 0.00000 6.82333 930 C 15 dxz Ryd( 3d) 0.00042 4.23804 931 C 15 dxz Ryd( 4d) 0.00027 4.93040 932 C 15 dxz Ryd( 5d) 0.00001 7.59614 933 C 15 dyz Ryd( 3d) 0.00117 1.58643 934 C 15 dyz Ryd( 4d) 0.00009 3.05390 935 C 15 dyz Ryd( 5d) 0.00001 6.99108 936 C 15 dx2y2 Ryd( 3d) 0.00078 3.55552 937 C 15 dx2y2 Ryd( 4d) 0.00026 3.28878 938 C 15 dx2y2 Ryd( 5d) 0.00001 7.47668 939 C 15 dz2 Ryd( 3d) 0.00064 4.00031 940 C 15 dz2 Ryd( 4d) 0.00023 5.02148 941 C 15 dz2 Ryd( 5d) 0.00001 8.35425 942 C 15 f(0) Ryd( 4f) 0.00028 3.84824 943 C 15 f(0) Ryd( 5f) 0.00001 8.03747 944 C 15 f(c1) Ryd( 4f) 0.00037 4.63343 945 C 15 f(c1) Ryd( 5f) 0.00001 8.12944 946 C 15 f(s1) Ryd( 4f) 0.00023 2.93287 947 C 15 f(s1) Ryd( 5f) 0.00000 7.73479 948 C 15 f(c2) Ryd( 4f) 0.00026 3.61502 949 C 15 f(c2) Ryd( 5f) 0.00001 7.70594 950 C 15 f(s2) Ryd( 4f) 0.00008 2.97717 951 C 15 f(s2) Ryd( 5f) 0.00000 7.47425 952 C 15 f(c3) Ryd( 4f) 0.00017 3.16887 953 C 15 f(c3) Ryd( 5f) 0.00001 7.50949 954 C 15 f(s3) Ryd( 4f) 0.00015 2.76524 955 C 15 f(s3) Ryd( 5f) 0.00001 7.26336 956 C 15 g(0) Ryd( 5g) 0.00005 6.22271 957 C 15 g(c1) Ryd( 5g) 0.00011 6.53268 958 C 15 g(s1) Ryd( 5g) 0.00001 6.07439 959 C 15 g(c2) Ryd( 5g) 0.00005 6.15610 960 C 15 g(s2) Ryd( 5g) 0.00006 6.02624 961 C 15 g(c3) Ryd( 5g) 0.00001 6.11346 962 C 15 g(s3) Ryd( 5g) 0.00000 6.13945 963 C 15 g(c4) Ryd( 5g) 0.00001 6.04345 964 C 15 g(s4) Ryd( 5g) 0.00001 5.85095 965 H 16 s Val( 1s) 0.38787 0.02408 966 H 16 s Ryd( 3s) 0.00037 1.43653 967 H 16 s Ryd( 2s) 0.00009 0.91155 968 H 16 s Ryd( 4s) 0.00000 6.31859 969 H 16 px Ryd( 2p) 0.00044 3.29237 970 H 16 px Ryd( 3p) 0.00001 5.06998 971 H 16 px Ryd( 4p) 0.00001 8.66823 972 H 16 py Ryd( 2p) 0.00030 2.19986 973 H 16 py Ryd( 3p) 0.00001 3.83164 974 H 16 py Ryd( 4p) 0.00001 8.03347 975 H 16 pz Ryd( 2p) 0.00019 1.91234 976 H 16 pz Ryd( 3p) 0.00002 3.34787 977 H 16 pz Ryd( 4p) 0.00001 7.92270 978 H 16 dxy Ryd( 3d) 0.00005 4.44721 979 H 16 dxy Ryd( 4d) 0.00000 10.32712 980 H 16 dxz Ryd( 3d) 0.00005 4.20003 981 H 16 dxz Ryd( 4d) 0.00000 9.63441 982 H 16 dyz Ryd( 3d) 0.00002 3.44550 983 H 16 dyz Ryd( 4d) 0.00000 9.12416 984 H 16 dx2y2 Ryd( 3d) 0.00006 4.44135 985 H 16 dx2y2 Ryd( 4d) 0.00000 9.97540 986 H 16 dz2 Ryd( 3d) 0.00002 3.69289 987 H 16 dz2 Ryd( 4d) 0.00000 9.52682 988 H 16 f(0) Ryd( 4f) 0.00000 7.14194 989 H 16 f(c1) Ryd( 4f) 0.00001 7.57063 990 H 16 f(s1) Ryd( 4f) 0.00000 7.10542 991 H 16 f(c2) Ryd( 4f) 0.00000 7.72289 992 H 16 f(s2) Ryd( 4f) 0.00000 7.50597 993 H 16 f(c3) Ryd( 4f) 0.00000 7.46622 994 H 16 f(s3) Ryd( 4f) 0.00002 7.73146 995 H 17 s Val( 1s) 0.38368 0.02662 996 H 17 s Ryd( 3s) 0.00017 1.55329 997 H 17 s Ryd( 2s) 0.00006 1.40392 998 H 17 s Ryd( 4s) 0.00000 5.59018 999 H 17 px Ryd( 2p) 0.00027 1.91385 1000 H 17 px Ryd( 3p) 0.00001 3.44043 1001 H 17 px Ryd( 4p) 0.00001 7.96370 1002 H 17 py Ryd( 2p) 0.00043 3.26204 1003 H 17 py Ryd( 3p) 0.00001 4.95202 1004 H 17 py Ryd( 4p) 0.00000 8.61970 1005 H 17 pz Ryd( 2p) 0.00019 2.33578 1006 H 17 pz Ryd( 3p) 0.00002 4.07136 1007 H 17 pz Ryd( 4p) 0.00001 8.22690 1008 H 17 dxy Ryd( 3d) 0.00005 4.14236 1009 H 17 dxy Ryd( 4d) 0.00000 9.56807 1010 H 17 dxz Ryd( 3d) 0.00002 3.60771 1011 H 17 dxz Ryd( 4d) 0.00000 9.14031 1012 H 17 dyz Ryd( 3d) 0.00004 4.51868 1013 H 17 dyz Ryd( 4d) 0.00000 10.41227 1014 H 17 dx2y2 Ryd( 3d) 0.00004 4.00434 1015 H 17 dx2y2 Ryd( 4d) 0.00000 10.00876 1016 H 17 dz2 Ryd( 3d) 0.00003 4.01455 1017 H 17 dz2 Ryd( 4d) 0.00000 9.44703 1018 H 17 f(0) Ryd( 4f) 0.00001 7.61002 1019 H 17 f(c1) Ryd( 4f) 0.00000 7.33849 1020 H 17 f(s1) Ryd( 4f) 0.00001 7.40602 1021 H 17 f(c2) Ryd( 4f) 0.00002 7.32838 1022 H 17 f(s2) Ryd( 4f) 0.00001 7.40306 1023 H 17 f(c3) Ryd( 4f) 0.00000 7.55320 1024 H 17 f(s3) Ryd( 4f) 0.00001 7.63251 1025 H 18 s Val( 1s) 0.37636 0.03751 1026 H 18 s Ryd( 3s) 0.00026 1.61003 1027 H 18 s Ryd( 2s) 0.00005 1.12093 1028 H 18 s Ryd( 4s) 0.00000 5.85104 1029 H 18 px Ryd( 2p) 0.00029 2.69600 1030 H 18 px Ryd( 3p) 0.00001 4.16442 1031 H 18 px Ryd( 4p) 0.00000 8.30516 1032 H 18 py Ryd( 2p) 0.00036 2.55726 1033 H 18 py Ryd( 3p) 0.00001 4.27069 1034 H 18 py Ryd( 4p) 0.00000 8.20244 1035 H 18 pz Ryd( 2p) 0.00020 2.35619 1036 H 18 pz Ryd( 3p) 0.00002 4.09934 1037 H 18 pz Ryd( 4p) 0.00001 8.18174 1038 H 18 dxy Ryd( 3d) 0.00003 4.05861 1039 H 18 dxy Ryd( 4d) 0.00000 10.03937 1040 H 18 dxz Ryd( 3d) 0.00003 4.05286 1041 H 18 dxz Ryd( 4d) 0.00000 9.86295 1042 H 18 dyz Ryd( 3d) 0.00003 4.07926 1043 H 18 dyz Ryd( 4d) 0.00000 9.70613 1044 H 18 dx2y2 Ryd( 3d) 0.00005 4.09677 1045 H 18 dx2y2 Ryd( 4d) 0.00000 9.46916 1046 H 18 dz2 Ryd( 3d) 0.00003 4.03459 1047 H 18 dz2 Ryd( 4d) 0.00000 9.44238 1048 H 18 f(0) Ryd( 4f) 0.00001 7.62125 1049 H 18 f(c1) Ryd( 4f) 0.00000 7.37592 1050 H 18 f(s1) Ryd( 4f) 0.00000 7.36909 1051 H 18 f(c2) Ryd( 4f) 0.00000 7.38539 1052 H 18 f(s2) Ryd( 4f) 0.00002 7.32445 1053 H 18 f(c3) Ryd( 4f) 0.00000 7.57763 1054 H 18 f(s3) Ryd( 4f) 0.00001 7.59099 1055 H 19 s Val( 1s) 0.38821 0.02647 1056 H 19 s Ryd( 3s) 0.00036 1.36379 1057 H 19 s Ryd( 2s) 0.00009 0.96113 1058 H 19 s Ryd( 4s) 0.00000 6.30911 1059 H 19 px Ryd( 2p) 0.00048 3.26784 1060 H 19 px Ryd( 3p) 0.00000 5.19975 1061 H 19 px Ryd( 4p) 0.00001 8.75837 1062 H 19 py Ryd( 2p) 0.00017 2.26964 1063 H 19 py Ryd( 3p) 0.00002 3.96135 1064 H 19 py Ryd( 4p) 0.00001 8.20472 1065 H 19 pz Ryd( 2p) 0.00023 1.81586 1066 H 19 pz Ryd( 3p) 0.00001 3.37002 1067 H 19 pz Ryd( 4p) 0.00001 7.85692 1068 H 19 dxy Ryd( 3d) 0.00005 4.48158 1069 H 19 dxy Ryd( 4d) 0.00000 10.29379 1070 H 19 dxz Ryd( 3d) 0.00006 4.05437 1071 H 19 dxz Ryd( 4d) 0.00000 9.56018 1072 H 19 dyz Ryd( 3d) 0.00003 3.54604 1073 H 19 dyz Ryd( 4d) 0.00000 9.14733 1074 H 19 dx2y2 Ryd( 3d) 0.00005 4.45062 1075 H 19 dx2y2 Ryd( 4d) 0.00000 10.06284 1076 H 19 dz2 Ryd( 3d) 0.00001 3.64345 1077 H 19 dz2 Ryd( 4d) 0.00000 9.46886 1078 H 19 f(0) Ryd( 4f) 0.00000 7.14935 1079 H 19 f(c1) Ryd( 4f) 0.00001 7.60066 1080 H 19 f(s1) Ryd( 4f) 0.00000 7.11460 1081 H 19 f(c2) Ryd( 4f) 0.00000 7.68607 1082 H 19 f(s2) Ryd( 4f) 0.00000 7.40653 1083 H 19 f(c3) Ryd( 4f) 0.00001 7.45766 1084 H 19 f(s3) Ryd( 4f) 0.00002 7.79059 1085 H 20 s Val( 1s) 0.37511 0.04228 1086 H 20 s Ryd( 3s) 0.00017 1.81388 1087 H 20 s Ryd( 2s) 0.00010 1.24439 1088 H 20 s Ryd( 4s) 0.00000 5.45398 1089 H 20 px Ryd( 2p) 0.00032 2.79512 1090 H 20 px Ryd( 3p) 0.00001 4.72630 1091 H 20 px Ryd( 4p) 0.00000 8.52457 1092 H 20 py Ryd( 2p) 0.00026 2.36678 1093 H 20 py Ryd( 3p) 0.00002 4.18802 1094 H 20 py Ryd( 4p) 0.00000 8.32877 1095 H 20 pz Ryd( 2p) 0.00034 2.12812 1096 H 20 pz Ryd( 3p) 0.00001 3.77353 1097 H 20 pz Ryd( 4p) 0.00000 8.14651 1098 H 20 dxy Ryd( 3d) 0.00003 4.31715 1099 H 20 dxy Ryd( 4d) 0.00000 10.05052 1100 H 20 dxz Ryd( 3d) 0.00003 3.98734 1101 H 20 dxz Ryd( 4d) 0.00000 9.87706 1102 H 20 dyz Ryd( 3d) 0.00003 3.83638 1103 H 20 dyz Ryd( 4d) 0.00000 9.49849 1104 H 20 dx2y2 Ryd( 3d) 0.00005 4.31075 1105 H 20 dx2y2 Ryd( 4d) 0.00000 9.68008 1106 H 20 dz2 Ryd( 3d) 0.00003 3.88486 1107 H 20 dz2 Ryd( 4d) 0.00000 9.38505 1108 H 20 f(0) Ryd( 4f) 0.00001 7.56279 1109 H 20 f(c1) Ryd( 4f) 0.00000 7.40514 1110 H 20 f(s1) Ryd( 4f) 0.00000 7.33306 1111 H 20 f(c2) Ryd( 4f) 0.00000 7.47616 1112 H 20 f(s2) Ryd( 4f) 0.00001 7.32034 1113 H 20 f(c3) Ryd( 4f) 0.00000 7.49718 1114 H 20 f(s3) Ryd( 4f) 0.00001 7.67451 1115 H 21 s Val( 1s) 0.37816 0.03816 1116 H 21 s Ryd( 3s) 0.00017 1.67720 1117 H 21 s Ryd( 2s) 0.00005 1.08169 1118 H 21 s Ryd( 4s) 0.00000 5.73830 1119 H 21 px Ryd( 2p) 0.00026 1.90630 1120 H 21 px Ryd( 3p) 0.00001 3.53872 1121 H 21 px Ryd( 4p) 0.00000 7.86890 1122 H 21 py Ryd( 2p) 0.00013 1.87720 1123 H 21 py Ryd( 3p) 0.00002 3.44311 1124 H 21 py Ryd( 4p) 0.00001 7.90381 1125 H 21 pz Ryd( 2p) 0.00046 3.65126 1126 H 21 pz Ryd( 3p) 0.00001 5.71561 1127 H 21 pz Ryd( 4p) 0.00000 9.09905 1128 H 21 dxy Ryd( 3d) 0.00000 3.22271 1129 H 21 dxy Ryd( 4d) 0.00000 8.96800 1130 H 21 dxz Ryd( 3d) 0.00007 4.43254 1131 H 21 dxz Ryd( 4d) 0.00000 9.86905 1132 H 21 dyz Ryd( 3d) 0.00006 4.40219 1133 H 21 dyz Ryd( 4d) 0.00000 9.75616 1134 H 21 dx2y2 Ryd( 3d) 0.00001 3.23251 1135 H 21 dx2y2 Ryd( 4d) 0.00000 8.96000 1136 H 21 dz2 Ryd( 3d) 0.00004 4.87799 1137 H 21 dz2 Ryd( 4d) 0.00000 11.04238 1138 H 21 f(0) Ryd( 4f) 0.00003 7.64016 1139 H 21 f(c1) Ryd( 4f) 0.00001 7.56671 1140 H 21 f(s1) Ryd( 4f) 0.00001 7.57280 1141 H 21 f(c2) Ryd( 4f) 0.00000 7.75721 1142 H 21 f(s2) Ryd( 4f) 0.00000 7.82204 1143 H 21 f(c3) Ryd( 4f) 0.00000 6.92677 1144 H 21 f(s3) Ryd( 4f) 0.00000 6.92693 1145 H 22 s Val( 1s) 0.38614 0.02262 1146 H 22 s Ryd( 3s) 0.00037 1.44943 1147 H 22 s Ryd( 2s) 0.00008 0.87824 1148 H 22 s Ryd( 4s) 0.00000 6.30173 1149 H 22 px Ryd( 2p) 0.00032 2.95466 1150 H 22 px Ryd( 3p) 0.00001 5.08995 1151 H 22 px Ryd( 4p) 0.00001 8.73402 1152 H 22 py Ryd( 2p) 0.00036 2.51237 1153 H 22 py Ryd( 3p) 0.00001 4.23942 1154 H 22 py Ryd( 4p) 0.00001 8.35594 1155 H 22 pz Ryd( 2p) 0.00025 1.78876 1156 H 22 pz Ryd( 3p) 0.00001 3.34963 1157 H 22 pz Ryd( 4p) 0.00000 7.80948 1158 H 22 dxy Ryd( 3d) 0.00003 4.53113 1159 H 22 dxy Ryd( 4d) 0.00000 10.74250 1160 H 22 dxz Ryd( 3d) 0.00005 4.08048 1161 H 22 dxz Ryd( 4d) 0.00000 9.43992 1162 H 22 dyz Ryd( 3d) 0.00003 3.61692 1163 H 22 dyz Ryd( 4d) 0.00000 9.21071 1164 H 22 dx2y2 Ryd( 3d) 0.00007 4.47389 1165 H 22 dx2y2 Ryd( 4d) 0.00000 9.73090 1166 H 22 dz2 Ryd( 3d) 0.00001 3.59270 1167 H 22 dz2 Ryd( 4d) 0.00000 9.50059 1168 H 22 f(0) Ryd( 4f) 0.00000 7.08897 1169 H 22 f(c1) Ryd( 4f) 0.00001 7.47941 1170 H 22 f(s1) Ryd( 4f) 0.00000 7.24634 1171 H 22 f(c2) Ryd( 4f) 0.00000 7.83293 1172 H 22 f(s2) Ryd( 4f) 0.00000 7.30132 1173 H 22 f(c3) Ryd( 4f) 0.00001 7.53701 1174 H 22 f(s3) Ryd( 4f) 0.00002 7.73998 1175 H 23 s Val( 1s) 0.38048 0.02756 1176 H 23 s Ryd( 3s) 0.00015 1.49457 1177 H 23 s Ryd( 2s) 0.00006 1.28372 1178 H 23 s Ryd( 4s) 0.00000 5.80299 1179 H 23 px Ryd( 2p) 0.00023 2.04659 1180 H 23 px Ryd( 3p) 0.00002 3.50179 1181 H 23 px Ryd( 4p) 0.00001 8.05459 1182 H 23 py Ryd( 2p) 0.00022 1.86771 1183 H 23 py Ryd( 3p) 0.00001 3.47407 1184 H 23 py Ryd( 4p) 0.00001 7.96361 1185 H 23 pz Ryd( 2p) 0.00043 3.49433 1186 H 23 pz Ryd( 3p) 0.00001 5.80353 1187 H 23 pz Ryd( 4p) 0.00000 9.01425 1188 H 23 dxy Ryd( 3d) 0.00001 3.36338 1189 H 23 dxy Ryd( 4d) 0.00000 9.07539 1190 H 23 dxz Ryd( 3d) 0.00005 4.38337 1191 H 23 dxz Ryd( 4d) 0.00000 10.01989 1192 H 23 dyz Ryd( 3d) 0.00006 4.43218 1193 H 23 dyz Ryd( 4d) 0.00000 9.81725 1194 H 23 dx2y2 Ryd( 3d) 0.00001 3.25248 1195 H 23 dx2y2 Ryd( 4d) 0.00000 8.97412 1196 H 23 dz2 Ryd( 3d) 0.00004 4.85457 1197 H 23 dz2 Ryd( 4d) 0.00000 10.88810 1198 H 23 f(0) Ryd( 4f) 0.00002 7.59640 1199 H 23 f(c1) Ryd( 4f) 0.00001 7.70675 1200 H 23 f(s1) Ryd( 4f) 0.00001 7.58254 1201 H 23 f(c2) Ryd( 4f) 0.00000 7.64645 1202 H 23 f(s2) Ryd( 4f) 0.00000 7.68830 1203 H 23 f(c3) Ryd( 4f) 0.00000 7.01249 1204 H 23 f(s3) Ryd( 4f) 0.00000 7.00972 1205 H 24 s Val( 1s) 0.38604 0.01727 1206 H 24 s Ryd( 3s) 0.00015 1.57714 1207 H 24 s Ryd( 2s) 0.00006 1.11055 1208 H 24 s Ryd( 4s) 0.00000 5.82985 1209 H 24 px Ryd( 2p) 0.00020 2.08854 1210 H 24 px Ryd( 3p) 0.00002 3.55806 1211 H 24 px Ryd( 4p) 0.00001 8.10998 1212 H 24 py Ryd( 2p) 0.00036 3.27666 1213 H 24 py Ryd( 3p) 0.00001 5.33169 1214 H 24 py Ryd( 4p) 0.00001 8.76309 1215 H 24 pz Ryd( 2p) 0.00027 2.31572 1216 H 24 pz Ryd( 3p) 0.00001 3.84173 1217 H 24 pz Ryd( 4p) 0.00001 8.13619 1218 H 24 dxy Ryd( 3d) 0.00004 4.35836 1219 H 24 dxy Ryd( 4d) 0.00000 9.61847 1220 H 24 dxz Ryd( 3d) 0.00002 3.54217 1221 H 24 dxz Ryd( 4d) 0.00000 9.16225 1222 H 24 dyz Ryd( 3d) 0.00004 4.32055 1223 H 24 dyz Ryd( 4d) 0.00000 10.31693 1224 H 24 dx2y2 Ryd( 3d) 0.00005 4.21771 1225 H 24 dx2y2 Ryd( 4d) 0.00000 9.96445 1226 H 24 dz2 Ryd( 3d) 0.00004 3.88650 1227 H 24 dz2 Ryd( 4d) 0.00000 9.36880 1228 H 24 f(0) Ryd( 4f) 0.00001 7.58052 1229 H 24 f(c1) Ryd( 4f) 0.00000 7.31121 1230 H 24 f(s1) Ryd( 4f) 0.00000 7.45043 1231 H 24 f(c2) Ryd( 4f) 0.00001 7.35301 1232 H 24 f(s2) Ryd( 4f) 0.00001 7.42572 1233 H 24 f(c3) Ryd( 4f) 0.00001 7.53886 1234 H 24 f(s3) Ryd( 4f) 0.00001 7.58518 1235 H 25 s Val( 1s) 0.36888 0.07078 1236 H 25 s Ryd( 3s) 0.00036 1.56719 1237 H 25 s Ryd( 2s) 0.00017 1.08384 1238 H 25 s Ryd( 4s) 0.00000 6.53759 1239 H 25 px Ryd( 2p) 0.00035 4.65177 1240 H 25 px Ryd( 3p) 0.00008 6.77673 1241 H 25 px Ryd( 4p) 0.00001 9.38288 1242 H 25 py Ryd( 2p) 0.00012 1.98560 1243 H 25 py Ryd( 3p) 0.00009 3.37158 1244 H 25 py Ryd( 4p) 0.00001 8.20838 1245 H 25 pz Ryd( 2p) 0.00017 2.18810 1246 H 25 pz Ryd( 3p) 0.00002 3.71926 1247 H 25 pz Ryd( 4p) 0.00001 7.99049 1248 H 25 dxy Ryd( 3d) 0.00006 3.93507 1249 H 25 dxy Ryd( 4d) 0.00000 9.92930 1250 H 25 dxz Ryd( 3d) 0.00007 4.15557 1251 H 25 dxz Ryd( 4d) 0.00000 10.68733 1252 H 25 dyz Ryd( 3d) 0.00001 2.95748 1253 H 25 dyz Ryd( 4d) 0.00000 9.00636 1254 H 25 dx2y2 Ryd( 3d) 0.00005 4.39060 1255 H 25 dx2y2 Ryd( 4d) 0.00000 11.93557 1256 H 25 dz2 Ryd( 3d) 0.00003 3.40240 1257 H 25 dz2 Ryd( 4d) 0.00000 10.07982 1258 H 25 f(0) Ryd( 4f) 0.00000 7.13449 1259 H 25 f(c1) Ryd( 4f) 0.00001 7.79666 1260 H 25 f(s1) Ryd( 4f) 0.00000 6.81216 1261 H 25 f(c2) Ryd( 4f) 0.00001 7.47652 1262 H 25 f(s2) Ryd( 4f) 0.00000 7.81116 1263 H 25 f(c3) Ryd( 4f) 0.00002 7.83698 1264 H 25 f(s3) Ryd( 4f) 0.00000 7.43852 1265 H 26 s Val( 1s) 0.37314 0.05773 1266 H 26 s Ryd( 3s) 0.00032 1.51534 1267 H 26 s Ryd( 2s) 0.00020 1.35350 1268 H 26 s Ryd( 4s) 0.00000 6.28931 1269 H 26 px Ryd( 2p) 0.00019 2.69885 1270 H 26 px Ryd( 3p) 0.00003 3.54749 1271 H 26 px Ryd( 4p) 0.00000 8.00914 1272 H 26 py Ryd( 2p) 0.00009 2.40546 1273 H 26 py Ryd( 3p) 0.00005 3.01561 1274 H 26 py Ryd( 4p) 0.00000 8.14092 1275 H 26 pz Ryd( 2p) 0.00036 4.47760 1276 H 26 pz Ryd( 3p) 0.00005 6.84523 1277 H 26 pz Ryd( 4p) 0.00000 9.39257 1278 H 26 dxy Ryd( 3d) 0.00001 2.98552 1279 H 26 dxy Ryd( 4d) 0.00000 9.08582 1280 H 26 dxz Ryd( 3d) 0.00006 4.07964 1281 H 26 dxz Ryd( 4d) 0.00000 10.86160 1282 H 26 dyz Ryd( 3d) 0.00005 3.78944 1283 H 26 dyz Ryd( 4d) 0.00000 9.95620 1284 H 26 dx2y2 Ryd( 3d) 0.00001 3.19269 1285 H 26 dx2y2 Ryd( 4d) 0.00000 9.25799 1286 H 26 dz2 Ryd( 3d) 0.00008 4.57621 1287 H 26 dz2 Ryd( 4d) 0.00000 12.23806 1288 H 26 f(0) Ryd( 4f) 0.00002 7.79606 1289 H 26 f(c1) Ryd( 4f) 0.00001 7.80193 1290 H 26 f(s1) Ryd( 4f) 0.00000 7.54124 1291 H 26 f(c2) Ryd( 4f) 0.00000 7.73485 1292 H 26 f(s2) Ryd( 4f) 0.00000 7.64644 1293 H 26 f(c3) Ryd( 4f) 0.00000 6.90235 1294 H 26 f(s3) Ryd( 4f) 0.00000 6.87701 1295 H 27 s Val( 1s) 0.37851 0.04441 1296 H 27 s Ryd( 3s) 0.00037 1.38777 1297 H 27 s Ryd( 2s) 0.00017 1.38743 1298 H 27 s Ryd( 4s) 0.00000 6.39300 1299 H 27 px Ryd( 2p) 0.00032 4.18321 1300 H 27 px Ryd( 3p) 0.00003 5.87298 1301 H 27 px Ryd( 4p) 0.00001 9.19199 1302 H 27 py Ryd( 2p) 0.00007 2.48112 1303 H 27 py Ryd( 3p) 0.00009 2.99232 1304 H 27 py Ryd( 4p) 0.00001 8.18042 1305 H 27 pz Ryd( 2p) 0.00016 3.22876 1306 H 27 pz Ryd( 3p) 0.00003 4.36756 1307 H 27 pz Ryd( 4p) 0.00001 8.42212 1308 H 27 dxy Ryd( 3d) 0.00005 3.63082 1309 H 27 dxy Ryd( 4d) 0.00000 9.64451 1310 H 27 dxz Ryd( 3d) 0.00006 4.21183 1311 H 27 dxz Ryd( 4d) 0.00000 11.35884 1312 H 27 dyz Ryd( 3d) 0.00002 3.25382 1313 H 27 dyz Ryd( 4d) 0.00000 9.25072 1314 H 27 dx2y2 Ryd( 3d) 0.00005 4.06176 1315 H 27 dx2y2 Ryd( 4d) 0.00000 10.67720 1316 H 27 dz2 Ryd( 3d) 0.00004 3.72368 1317 H 27 dz2 Ryd( 4d) 0.00000 10.00115 1318 H 27 f(0) Ryd( 4f) 0.00001 7.56946 1319 H 27 f(c1) Ryd( 4f) 0.00001 7.63002 1320 H 27 f(s1) Ryd( 4f) 0.00000 7.28929 1321 H 27 f(c2) Ryd( 4f) 0.00002 7.32883 1322 H 27 f(s2) Ryd( 4f) 0.00000 7.29539 1323 H 27 f(c3) Ryd( 4f) 0.00001 7.67024 1324 H 27 f(s3) Ryd( 4f) 0.00000 7.42901 1325 H 28 s Val( 1s) 0.37318 0.05856 1326 H 28 s Ryd( 2s) 0.00035 1.42336 1327 H 28 s Ryd( 3s) 0.00019 1.46553 1328 H 28 s Ryd( 4s) 0.00000 6.23671 1329 H 28 px Ryd( 2p) 0.00022 2.84466 1330 H 28 px Ryd( 3p) 0.00003 3.86609 1331 H 28 px Ryd( 4p) 0.00000 8.13287 1332 H 28 py Ryd( 2p) 0.00009 2.33957 1333 H 28 py Ryd( 3p) 0.00005 3.16602 1334 H 28 py Ryd( 4p) 0.00000 8.12866 1335 H 28 pz Ryd( 2p) 0.00034 4.32635 1336 H 28 pz Ryd( 3p) 0.00005 6.36624 1337 H 28 pz Ryd( 4p) 0.00000 9.27324 1338 H 28 dxy Ryd( 3d) 0.00001 3.06940 1339 H 28 dxy Ryd( 4d) 0.00000 9.14474 1340 H 28 dxz Ryd( 3d) 0.00006 4.10773 1341 H 28 dxz Ryd( 4d) 0.00000 11.22416 1342 H 28 dyz Ryd( 3d) 0.00005 3.73620 1343 H 28 dyz Ryd( 4d) 0.00000 9.79303 1344 H 28 dx2y2 Ryd( 3d) 0.00002 3.29504 1345 H 28 dx2y2 Ryd( 4d) 0.00000 9.39889 1346 H 28 dz2 Ryd( 3d) 0.00007 4.42480 1347 H 28 dz2 Ryd( 4d) 0.00000 11.89669 1348 H 28 f(0) Ryd( 4f) 0.00002 7.83417 1349 H 28 f(c1) Ryd( 4f) 0.00002 7.77299 1350 H 28 f(s1) Ryd( 4f) 0.00000 7.56305 1351 H 28 f(c2) Ryd( 4f) 0.00000 7.62785 1352 H 28 f(s2) Ryd( 4f) 0.00000 7.49538 1353 H 28 f(c3) Ryd( 4f) 0.00000 7.02156 1354 H 28 f(s3) Ryd( 4f) 0.00000 6.98603 1355 H 29 s Val( 1s) 0.37638 0.04994 1356 H 29 s Ryd( 2s) 0.00030 1.38467 1357 H 29 s Ryd( 3s) 0.00015 1.70720 1358 H 29 s Ryd( 4s) 0.00000 5.93702 1359 H 29 px Ryd( 2p) 0.00028 3.88510 1360 H 29 px Ryd( 3p) 0.00003 5.39533 1361 H 29 px Ryd( 4p) 0.00000 8.93497 1362 H 29 py Ryd( 2p) 0.00007 2.51520 1363 H 29 py Ryd( 3p) 0.00008 3.05144 1364 H 29 py Ryd( 4p) 0.00001 8.14771 1365 H 29 pz Ryd( 2p) 0.00020 3.53958 1366 H 29 pz Ryd( 3p) 0.00003 4.79217 1367 H 29 pz Ryd( 4p) 0.00000 8.64824 1368 H 29 dxy Ryd( 3d) 0.00004 3.49346 1369 H 29 dxy Ryd( 4d) 0.00000 9.50022 1370 H 29 dxz Ryd( 3d) 0.00006 4.20592 1371 H 29 dxz Ryd( 4d) 0.00000 11.27595 1372 H 29 dyz Ryd( 3d) 0.00003 3.39647 1373 H 29 dyz Ryd( 4d) 0.00000 9.33245 1374 H 29 dx2y2 Ryd( 3d) 0.00004 3.88175 1375 H 29 dx2y2 Ryd( 4d) 0.00000 10.20449 1376 H 29 dz2 Ryd( 3d) 0.00005 3.87596 1377 H 29 dz2 Ryd( 4d) 0.00000 10.18474 1378 H 29 f(0) Ryd( 4f) 0.00001 7.70627 1379 H 29 f(c1) Ryd( 4f) 0.00001 7.61470 1380 H 29 f(s1) Ryd( 4f) 0.00000 7.46678 1381 H 29 f(c2) Ryd( 4f) 0.00002 7.32883 1382 H 29 f(s2) Ryd( 4f) 0.00000 7.17893 1383 H 29 f(c3) Ryd( 4f) 0.00001 7.55297 1384 H 29 f(s3) Ryd( 4f) 0.00000 7.36958 [14 electrons found in the effective core potential] Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- Tc 1 -0.11565 17.99969 3.57828 0.03768 21.61565 S 2 -0.03042 4.99999 3.00451 0.02592 8.03042 S 3 -0.01569 4.99999 2.97974 0.03596 8.01569 S 4 -0.01601 4.99999 2.98130 0.03472 8.01601 S 5 -0.01452 4.99999 2.97849 0.03604 8.01452 S 6 -0.03426 4.99999 3.00807 0.02620 8.03426 C 7 -0.47033 0.99999 2.46081 0.00953 3.47033 C 8 -0.47057 0.99999 2.46089 0.00970 3.47057 C 9 -0.46853 0.99999 2.45924 0.00930 3.46853 P 10 0.62652 4.99999 1.83896 0.03453 6.87348 C 11 -0.13951 0.99999 2.12375 0.01577 3.13951 C 12 -0.11962 0.99999 2.10503 0.01460 3.11962 C 13 -0.13933 0.99999 2.12421 0.01514 3.13933 C 14 -0.14163 0.99999 2.12604 0.01561 3.14163 C 15 -0.11711 0.99999 2.10242 0.01471 3.11711 H 16 0.11045 0.00000 0.38787 0.00169 0.38955 H 17 0.11492 0.00000 0.38368 0.00140 0.38508 H 18 0.12218 0.00000 0.37636 0.00146 0.37782 H 19 0.11016 0.00000 0.38821 0.00164 0.38984 H 20 0.12342 0.00000 0.37511 0.00148 0.37658 H 21 0.12047 0.00000 0.37816 0.00137 0.37953 H 22 0.11218 0.00000 0.38614 0.00168 0.38782 H 23 0.11815 0.00000 0.38048 0.00137 0.38185 H 24 0.11263 0.00000 0.38604 0.00133 0.38737 H 25 0.12947 0.00000 0.36888 0.00164 0.37053 H 26 0.12530 0.00000 0.37314 0.00156 0.37470 H 27 0.11995 0.00000 0.37851 0.00154 0.38005 H 28 0.12523 0.00000 0.37318 0.00159 0.37477 H 29 0.12217 0.00000 0.37638 0.00145 0.37783 ==================================================================== * Total * 0.00000 55.99953 43.64390 0.35658 100.00000 Natural Population --------------------------------------------------------- Effective Core 14.00000 Core 41.99953 ( 99.9989% of 42) Valence 43.64390 ( 99.1907% of 44) Natural Minimal Basis 99.64342 ( 99.6434% of 100) Natural Rydberg Basis 0.35658 ( 0.3566% of 100) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Tc 1 [core]5s( 0.18)4d( 3.40)4f( 0.01)5d( 0.01)6p( 0.01) S 2 [core]3s( 0.89)3p( 2.12)3d( 0.02) S 3 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 4 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 5 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 6 [core]3s( 0.89)3p( 2.12)3d( 0.02) C 7 [core]2s( 0.60)2p( 1.86) C 8 [core]2s( 0.60)2p( 1.86) C 9 [core]2s( 0.60)2p( 1.86) P 10 [core]3s( 0.57)3p( 1.27)3d( 0.02)4p( 0.01) C 11 [core]2s( 0.51)2p( 1.62)3p( 0.01) C 12 [core]2s( 0.51)2p( 1.60)4p( 0.01) C 13 [core]2s( 0.50)2p( 1.62)3p( 0.01) C 14 [core]2s( 0.50)2p( 1.62)3p( 0.01) C 15 [core]2s( 0.51)2p( 1.60)4p( 0.01) H 16 1s( 0.39) H 17 1s( 0.38) H 18 1s( 0.38) H 19 1s( 0.39) H 20 1s( 0.38) H 21 1s( 0.38) H 22 1s( 0.39) H 23 1s( 0.38) H 24 1s( 0.39) H 25 1s( 0.37) H 26 1s( 0.37) H 27 1s( 0.38) H 28 1s( 0.37) H 29 1s( 0.38) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.4571 0.0704 0.0196 0.0690 0.4508 0.0121 0.0126 0.0121 2. S 0.4571 0.0000 0.5009 0.0500 0.0090 0.0702 0.0019 0.0028 0.0010 3. S 0.0704 0.5009 0.0000 0.5101 0.0689 0.0089 0.0004 0.0013 0.0004 4. S 0.0196 0.0500 0.5101 0.0000 0.5088 0.0489 0.0002 0.0003 0.0002 5. S 0.0690 0.0090 0.0689 0.5088 0.0000 0.5028 0.0014 0.0004 0.0005 6. S 0.4508 0.0702 0.0089 0.0489 0.5028 0.0000 0.0038 0.0008 0.0019 7. C 0.0121 0.0019 0.0004 0.0002 0.0014 0.0038 0.0000 0.0067 0.0067 8. C 0.0126 0.0028 0.0013 0.0003 0.0004 0.0008 0.0067 0.0000 0.0066 9. C 0.0121 0.0010 0.0004 0.0002 0.0005 0.0019 0.0067 0.0066 0.0000 10. P 0.3588 0.0259 0.0072 0.0010 0.0071 0.0272 0.4548 0.4602 0.4559 11. C 0.0937 0.0113 0.0046 0.0034 0.0051 0.0123 0.0004 0.0011 0.0004 12. C 0.1206 0.0256 0.0021 0.0004 0.0046 0.0276 0.0003 0.0004 0.0004 13. C 0.1715 0.0355 0.0038 0.0010 0.0030 0.0098 0.0017 0.0011 0.0005 14. C 0.1657 0.0128 0.0040 0.0011 0.0036 0.0390 0.0012 0.0002 0.0021 15. C 0.1205 0.0255 0.0039 0.0005 0.0023 0.0213 0.0004 0.0003 0.0003 16. H 0.0044 0.0001 0.0001 0.0001 0.0001 0.0010 0.4652 0.0006 0.0008 17. H 0.0007 0.0001 0.0000 0.0000 0.0000 0.0001 0.4655 0.0043 0.0005 18. H 0.0008 0.0001 0.0000 0.0000 0.0004 0.0013 0.4606 0.0006 0.0040 19. H 0.0042 0.0010 0.0001 0.0000 0.0001 0.0003 0.0008 0.4662 0.0005 20. H 0.0008 0.0001 0.0000 0.0001 0.0001 0.0003 0.0005 0.4611 0.0042 21. H 0.0006 0.0007 0.0002 0.0000 0.0000 0.0001 0.0042 0.4620 0.0007 22. H 0.0040 0.0006 0.0002 0.0000 0.0001 0.0001 0.0006 0.0008 0.4647 23. H 0.0005 0.0001 0.0000 0.0000 0.0000 0.0001 0.0043 0.0005 0.4643 24. H 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0043 0.4661 25. H 0.0033 0.0001 0.0003 0.0001 0.0004 0.0002 0.0000 0.0001 0.0001 26. H 0.0030 0.0003 0.0002 0.0001 0.0004 0.0006 0.0000 0.0000 0.0000 27. H 0.0056 0.0004 0.0005 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 28. H 0.0031 0.0006 0.0005 0.0002 0.0001 0.0002 0.0000 0.0000 0.0000 29. H 0.0050 0.0002 0.0001 0.0001 0.0005 0.0004 0.0000 0.0000 0.0002 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.3588 0.0937 0.1206 0.1715 0.1657 0.1205 0.0044 0.0007 0.0008 2. S 0.0259 0.0113 0.0256 0.0355 0.0128 0.0255 0.0001 0.0001 0.0001 3. S 0.0072 0.0046 0.0021 0.0038 0.0040 0.0039 0.0001 0.0000 0.0000 4. S 0.0010 0.0034 0.0004 0.0010 0.0011 0.0005 0.0001 0.0000 0.0000 5. S 0.0071 0.0051 0.0046 0.0030 0.0036 0.0023 0.0001 0.0000 0.0004 6. S 0.0272 0.0123 0.0276 0.0098 0.0390 0.0213 0.0010 0.0001 0.0013 7. C 0.4548 0.0004 0.0003 0.0017 0.0012 0.0004 0.4652 0.4655 0.4606 8. C 0.4602 0.0011 0.0004 0.0011 0.0002 0.0003 0.0006 0.0043 0.0006 9. C 0.4559 0.0004 0.0004 0.0005 0.0021 0.0003 0.0008 0.0005 0.0040 10. P 0.0000 0.0394 0.0083 0.0190 0.0156 0.0112 0.0015 0.0015 0.0017 11. C 0.0394 0.0000 0.6594 0.0102 0.0102 0.6648 0.0008 0.0000 0.0001 12. C 0.0083 0.6594 0.0000 0.6431 0.0143 0.0083 0.0000 0.0000 0.0000 13. C 0.0190 0.0102 0.6431 0.0000 0.6001 0.0129 0.0009 0.0002 0.0000 14. C 0.0156 0.0102 0.0143 0.6001 0.0000 0.6436 0.0000 0.0000 0.0000 15. C 0.0112 0.6648 0.0083 0.0129 0.6436 0.0000 0.0003 0.0000 0.0000 16. H 0.0015 0.0008 0.0000 0.0009 0.0000 0.0003 0.0000 0.0004 0.0005 17. H 0.0015 0.0000 0.0000 0.0002 0.0000 0.0000 0.0004 0.0000 0.0005 18. H 0.0017 0.0001 0.0000 0.0000 0.0000 0.0000 0.0005 0.0005 0.0000 19. H 0.0014 0.0008 0.0003 0.0000 0.0002 0.0002 0.0001 0.0001 0.0001 20. H 0.0018 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H 0.0016 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0006 0.0001 22. H 0.0016 0.0007 0.0002 0.0004 0.0011 0.0001 0.0001 0.0000 0.0000 23. H 0.0015 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.0006 24. H 0.0015 0.0000 0.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0001 25. H 0.0002 0.4511 0.0013 0.0040 0.0040 0.0014 0.0000 0.0000 0.0000 26. H 0.0001 0.0015 0.4523 0.0012 0.0044 0.0045 0.0000 0.0000 0.0000 27. H 0.0002 0.0037 0.0013 0.4538 0.0012 0.0038 0.0000 0.0002 0.0000 28. H 0.0001 0.0015 0.0045 0.0043 0.0012 0.4522 0.0000 0.0000 0.0000 29. H 0.0002 0.0037 0.0038 0.0012 0.4531 0.0014 0.0000 0.0000 0.0000 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0042 0.0008 0.0006 0.0040 0.0005 0.0008 0.0033 0.0030 0.0056 2. S 0.0010 0.0001 0.0007 0.0006 0.0001 0.0000 0.0001 0.0003 0.0004 3. S 0.0001 0.0000 0.0002 0.0002 0.0000 0.0000 0.0003 0.0002 0.0005 4. S 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 5. S 0.0001 0.0001 0.0000 0.0001 0.0000 0.0000 0.0004 0.0004 0.0001 6. S 0.0003 0.0003 0.0001 0.0001 0.0001 0.0000 0.0002 0.0006 0.0001 7. C 0.0008 0.0005 0.0042 0.0006 0.0043 0.0007 0.0000 0.0000 0.0001 8. C 0.4662 0.4611 0.4620 0.0008 0.0005 0.0043 0.0001 0.0000 0.0000 9. C 0.0005 0.0042 0.0007 0.4647 0.4643 0.4661 0.0001 0.0000 0.0001 10. P 0.0014 0.0018 0.0016 0.0016 0.0015 0.0015 0.0002 0.0001 0.0002 11. C 0.0008 0.0001 0.0000 0.0007 0.0000 0.0000 0.4511 0.0015 0.0037 12. C 0.0003 0.0000 0.0000 0.0002 0.0000 0.0000 0.0013 0.4523 0.0013 13. C 0.0000 0.0000 0.0001 0.0004 0.0000 0.0002 0.0040 0.0012 0.4538 14. C 0.0002 0.0000 0.0000 0.0011 0.0001 0.0002 0.0040 0.0044 0.0012 15. C 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0014 0.0045 0.0038 16. H 0.0001 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 17. H 0.0001 0.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 18. H 0.0001 0.0000 0.0001 0.0000 0.0006 0.0001 0.0000 0.0000 0.0000 19. H 0.0000 0.0005 0.0004 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 20. H 0.0005 0.0000 0.0006 0.0001 0.0000 0.0006 0.0000 0.0000 0.0000 21. H 0.0004 0.0006 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 22. H 0.0001 0.0001 0.0000 0.0000 0.0005 0.0004 0.0000 0.0000 0.0000 23. H 0.0000 0.0000 0.0000 0.0005 0.0000 0.0005 0.0000 0.0000 0.0000 24. H 0.0000 0.0006 0.0001 0.0004 0.0005 0.0000 0.0000 0.0000 0.0001 25. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 26. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0006 27. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0002 0.0006 0.0000 28. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 0.0002 29. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0002 0.0005 Atom 28 29 ---- ------ ------ 1. Tc 0.0031 0.0050 2. S 0.0006 0.0002 3. S 0.0005 0.0001 4. S 0.0002 0.0001 5. S 0.0001 0.0005 6. S 0.0002 0.0004 7. C 0.0000 0.0000 8. C 0.0000 0.0000 9. C 0.0000 0.0002 10. P 0.0001 0.0002 11. C 0.0015 0.0037 12. C 0.0045 0.0038 13. C 0.0043 0.0012 14. C 0.0012 0.4531 15. C 0.4522 0.0014 16. H 0.0000 0.0000 17. H 0.0000 0.0000 18. H 0.0000 0.0000 19. H 0.0000 0.0000 20. H 0.0000 0.0000 21. H 0.0000 0.0000 22. H 0.0000 0.0000 23. H 0.0000 0.0000 24. H 0.0000 0.0000 25. H 0.0007 0.0002 26. H 0.0002 0.0002 27. H 0.0002 0.0005 28. H 0.0000 0.0006 29. H 0.0006 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. Tc 2.1711 2. S 1.2340 3. S 1.1894 4. S 1.1463 5. S 1.1890 6. S 1.2302 7. C 1.8947 8. C 1.8952 9. C 1.8951 10. P 1.9066 11. C 1.9804 12. C 1.9793 13. C 1.9796 14. C 1.9793 15. C 1.9797 16. H 0.4773 17. H 0.4749 18. H 0.4716 19. H 0.4774 20. H 0.4710 21. H 0.4722 22. H 0.4765 23. H 0.4734 24. H 0.4759 25. H 0.4682 26. H 0.4702 27. H 0.4728 28. H 0.4703 29. H 0.4716 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.4781 0.1876 0.0990 0.1858 0.4748 0.0779 0.0793 0.0776 2. S 0.4781 0.0000 0.5005 0.1581 0.0672 0.1873 0.0312 0.0374 0.0220 3. S 0.1876 0.5005 0.0000 0.5050 0.1856 0.0667 0.0148 0.0252 0.0141 4. S 0.0990 0.1581 0.5050 0.0000 0.5044 0.1563 0.0098 0.0120 0.0088 5. S 0.1858 0.0672 0.1856 0.5044 0.0000 0.5014 0.0267 0.0147 0.0165 6. S 0.4748 0.1873 0.0667 0.1563 0.5014 0.0000 0.0437 0.0197 0.0306 7. C 0.0779 0.0312 0.0148 0.0098 0.0267 0.0437 0.0000 0.0577 0.0581 8. C 0.0793 0.0374 0.0252 0.0120 0.0147 0.0197 0.0577 0.0000 0.0576 9. C 0.0776 0.0220 0.0141 0.0088 0.0165 0.0306 0.0581 0.0576 0.0000 10. P 0.4235 0.1138 0.0602 0.0223 0.0597 0.1167 0.4769 0.4797 0.4774 11. C 0.2164 0.0752 0.0480 0.0414 0.0503 0.0783 0.0147 0.0229 0.0147 12. C 0.2455 0.1132 0.0327 0.0147 0.0481 0.1174 0.0119 0.0133 0.0144 13. C 0.2928 0.1333 0.0437 0.0221 0.0384 0.0700 0.0294 0.0234 0.0156 14. C 0.2878 0.0801 0.0449 0.0235 0.0427 0.1397 0.0242 0.0104 0.0328 15. C 0.2454 0.1130 0.0440 0.0162 0.0338 0.1033 0.0137 0.0118 0.0131 16. H 0.0471 0.0062 0.0071 0.0061 0.0069 0.0228 0.4823 0.0166 0.0195 17. H 0.0181 0.0058 0.0046 0.0025 0.0031 0.0079 0.4824 0.0462 0.0152 18. H 0.0201 0.0060 0.0030 0.0040 0.0137 0.0258 0.4799 0.0174 0.0450 19. H 0.0457 0.0218 0.0073 0.0040 0.0050 0.0132 0.0205 0.4828 0.0150 20. H 0.0198 0.0086 0.0045 0.0061 0.0051 0.0125 0.0151 0.4802 0.0457 21. H 0.0172 0.0191 0.0108 0.0027 0.0029 0.0061 0.0458 0.4806 0.0187 22. H 0.0445 0.0175 0.0091 0.0018 0.0080 0.0079 0.0168 0.0200 0.4820 23. H 0.0163 0.0076 0.0027 0.0030 0.0045 0.0063 0.0463 0.0159 0.4818 24. H 0.0201 0.0041 0.0020 0.0028 0.0021 0.0040 0.0180 0.0465 0.4828 25. H 0.0406 0.0082 0.0130 0.0052 0.0144 0.0091 0.0021 0.0050 0.0052 26. H 0.0387 0.0113 0.0088 0.0080 0.0148 0.0170 0.0025 0.0030 0.0026 27. H 0.0530 0.0134 0.0151 0.0064 0.0077 0.0076 0.0084 0.0029 0.0061 28. H 0.0392 0.0168 0.0162 0.0092 0.0085 0.0098 0.0028 0.0040 0.0019 29. H 0.0500 0.0093 0.0078 0.0057 0.0153 0.0144 0.0030 0.0034 0.0109 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.4235 0.2164 0.2455 0.2928 0.2878 0.2454 0.0471 0.0181 0.0201 2. S 0.1138 0.0752 0.1132 0.1333 0.0801 0.1130 0.0062 0.0058 0.0060 3. S 0.0602 0.0480 0.0327 0.0437 0.0449 0.0440 0.0071 0.0046 0.0030 4. S 0.0223 0.0414 0.0147 0.0221 0.0235 0.0162 0.0061 0.0025 0.0040 5. S 0.0597 0.0503 0.0481 0.0384 0.0427 0.0338 0.0069 0.0031 0.0137 6. S 0.1167 0.0783 0.1174 0.0700 0.1397 0.1033 0.0228 0.0079 0.0258 7. C 0.4769 0.0147 0.0119 0.0294 0.0242 0.0137 0.4823 0.4824 0.4799 8. C 0.4797 0.0229 0.0133 0.0234 0.0104 0.0118 0.0166 0.0462 0.0174 9. C 0.4774 0.0147 0.0144 0.0156 0.0328 0.0131 0.0195 0.0152 0.0450 10. P 0.0000 0.1403 0.0644 0.0975 0.0883 0.0749 0.0277 0.0272 0.0287 11. C 0.1403 0.0000 0.5742 0.0714 0.0713 0.5765 0.0199 0.0040 0.0050 12. C 0.0644 0.5742 0.0000 0.5670 0.0846 0.0644 0.0044 0.0032 0.0019 13. C 0.0975 0.0714 0.5670 0.0000 0.5478 0.0802 0.0209 0.0095 0.0041 14. C 0.0883 0.0713 0.0846 0.5478 0.0000 0.5673 0.0041 0.0042 0.0047 15. C 0.0749 0.5765 0.0644 0.0802 0.5673 0.0000 0.0125 0.0034 0.0031 16. H 0.0277 0.0199 0.0044 0.0209 0.0041 0.0125 0.0000 0.0148 0.0151 17. H 0.0272 0.0040 0.0032 0.0095 0.0042 0.0034 0.0148 0.0000 0.0162 18. H 0.0287 0.0050 0.0019 0.0041 0.0047 0.0031 0.0151 0.0162 0.0000 19. H 0.0265 0.0199 0.0116 0.0042 0.0104 0.0098 0.0076 0.0082 0.0050 20. H 0.0304 0.0066 0.0039 0.0031 0.0040 0.0025 0.0027 0.0037 0.0036 21. H 0.0286 0.0035 0.0027 0.0051 0.0023 0.0022 0.0043 0.0173 0.0065 22. H 0.0283 0.0192 0.0101 0.0148 0.0232 0.0061 0.0076 0.0029 0.0050 23. H 0.0275 0.0036 0.0032 0.0038 0.0071 0.0026 0.0074 0.0042 0.0172 24. H 0.0277 0.0042 0.0035 0.0109 0.0093 0.0037 0.0043 0.0038 0.0059 25. H 0.0096 0.4749 0.0257 0.0445 0.0448 0.0262 0.0009 0.0006 0.0012 26. H 0.0050 0.0274 0.4755 0.0242 0.0469 0.0472 0.0006 0.0008 0.0007 27. H 0.0093 0.0429 0.0259 0.4763 0.0248 0.0435 0.0027 0.0097 0.0015 28. H 0.0056 0.0276 0.0473 0.0466 0.0243 0.4755 0.0012 0.0008 0.0005 29. H 0.0102 0.0432 0.0437 0.0248 0.4760 0.0262 0.0015 0.0011 0.0026 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0457 0.0198 0.0172 0.0445 0.0163 0.0201 0.0406 0.0387 0.0530 2. S 0.0218 0.0086 0.0191 0.0175 0.0076 0.0041 0.0082 0.0113 0.0134 3. S 0.0073 0.0045 0.0108 0.0091 0.0027 0.0020 0.0130 0.0088 0.0151 4. S 0.0040 0.0061 0.0027 0.0018 0.0030 0.0028 0.0052 0.0080 0.0064 5. S 0.0050 0.0051 0.0029 0.0080 0.0045 0.0021 0.0144 0.0148 0.0077 6. S 0.0132 0.0125 0.0061 0.0079 0.0063 0.0040 0.0091 0.0170 0.0076 7. C 0.0205 0.0151 0.0458 0.0168 0.0463 0.0180 0.0021 0.0025 0.0084 8. C 0.4828 0.4802 0.4806 0.0200 0.0159 0.0465 0.0050 0.0030 0.0029 9. C 0.0150 0.0457 0.0187 0.4820 0.4818 0.4828 0.0052 0.0026 0.0061 10. P 0.0265 0.0304 0.0286 0.0283 0.0275 0.0277 0.0096 0.0050 0.0093 11. C 0.0199 0.0066 0.0035 0.0192 0.0036 0.0042 0.4749 0.0274 0.0429 12. C 0.0116 0.0039 0.0027 0.0101 0.0032 0.0035 0.0257 0.4755 0.0259 13. C 0.0042 0.0031 0.0051 0.0148 0.0038 0.0109 0.0445 0.0242 0.4763 14. C 0.0104 0.0040 0.0023 0.0232 0.0071 0.0093 0.0448 0.0469 0.0248 15. C 0.0098 0.0025 0.0022 0.0061 0.0026 0.0037 0.0262 0.0472 0.0435 16. H 0.0076 0.0027 0.0043 0.0076 0.0074 0.0043 0.0009 0.0006 0.0027 17. H 0.0082 0.0037 0.0173 0.0029 0.0042 0.0038 0.0006 0.0008 0.0097 18. H 0.0050 0.0036 0.0065 0.0050 0.0172 0.0059 0.0012 0.0007 0.0015 19. H 0.0000 0.0151 0.0149 0.0073 0.0025 0.0042 0.0014 0.0014 0.0020 20. H 0.0151 0.0000 0.0171 0.0065 0.0041 0.0170 0.0012 0.0009 0.0017 21. H 0.0149 0.0171 0.0000 0.0044 0.0038 0.0065 0.0005 0.0004 0.0015 22. H 0.0073 0.0065 0.0044 0.0000 0.0152 0.0144 0.0038 0.0014 0.0018 23. H 0.0025 0.0041 0.0038 0.0152 0.0000 0.0156 0.0006 0.0006 0.0015 24. H 0.0042 0.0170 0.0065 0.0144 0.0156 0.0000 0.0014 0.0007 0.0073 25. H 0.0014 0.0012 0.0005 0.0038 0.0006 0.0014 0.0000 0.0181 0.0090 26. H 0.0014 0.0009 0.0004 0.0014 0.0006 0.0007 0.0181 0.0000 0.0176 27. H 0.0020 0.0017 0.0015 0.0018 0.0015 0.0073 0.0090 0.0176 0.0000 28. H 0.0020 0.0010 0.0005 0.0010 0.0006 0.0009 0.0183 0.0111 0.0096 29. H 0.0009 0.0023 0.0008 0.0024 0.0046 0.0042 0.0093 0.0102 0.0164 Atom 28 29 ---- ------ ------ 1. Tc 0.0392 0.0500 2. S 0.0168 0.0093 3. S 0.0162 0.0078 4. S 0.0092 0.0057 5. S 0.0085 0.0153 6. S 0.0098 0.0144 7. C 0.0028 0.0030 8. C 0.0040 0.0034 9. C 0.0019 0.0109 10. P 0.0056 0.0102 11. C 0.0276 0.0432 12. C 0.0473 0.0437 13. C 0.0466 0.0248 14. C 0.0243 0.4760 15. C 0.4755 0.0262 16. H 0.0012 0.0015 17. H 0.0008 0.0011 18. H 0.0005 0.0026 19. H 0.0020 0.0009 20. H 0.0010 0.0023 21. H 0.0005 0.0008 22. H 0.0010 0.0024 23. H 0.0006 0.0046 24. H 0.0009 0.0042 25. H 0.0183 0.0093 26. H 0.0111 0.0102 27. H 0.0096 0.0164 28. H 0.0000 0.0178 29. H 0.0178 0.0000 NATURAL BOND ORBITAL ANALYSIS, alpha spin orbitals: User-requested molecular units: 1. 2. Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 0.95 96.91412 3.08588 42 31 2 11 9 7 2 3 0.94 96.73986 3.26014 42 31 0 13 10 7 3 3 0.93 97.19649 2.80351 42 32 1 11 7 6 4 3 0.92 97.33653 2.66347 42 32 1 11 6 6 5 3 0.91 97.35050 2.64950 42 28 1 15 6 6 6 3 0.89 97.35050 2.64950 42 28 1 15 6 6 7 3 0.88 97.69291 2.30709 42 27 2 15 5 6 8 3 0.87 97.69291 2.30709 42 27 2 15 5 6 9 3 0.83 97.70265 2.29735 42 27 2 15 3 6 10 3 0.79 97.59682 2.40318 42 28 1 15 3 6 11 3 0.78 97.46561 2.53439 42 29 0 15 3 6 12 3 0.76 97.43223 2.56777 42 29 0 15 3 6 13 3 0.75 97.67261 2.32739 42 30 0 14 2 6 14 3 0.83 97.70265 2.29735 42 27 2 15 3 6 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Effective core 14.00000 Core 41.99953 ( 99.999% of 42) Valence Lewis 41.70312 ( 94.780% of 44) ================== ============================= Total Lewis 97.70265 ( 97.703% of 100) ----------------------------------------------------- Valence non-Lewis 2.09923 ( 2.099% of 100) Rydberg non-Lewis 0.19812 ( 0.198% of 100) ================== ============================= Total non-Lewis 2.29735 ( 2.297% of 100) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (0.99997) CR ( 1)Tc 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. (0.99991) CR ( 2)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. (0.99990) CR ( 3)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (0.99990) CR ( 4)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (1.00000) CR ( 1) S 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (1.00000) CR ( 2) S 2 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.00000) CR ( 3) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (1.00000) CR ( 4) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (1.00000) CR ( 5) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.00000) CR ( 1) S 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. (1.00000) CR ( 2) S 3 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.00000) CR ( 3) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.00000) CR ( 4) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (1.00000) CR ( 5) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.00000) CR ( 1) S 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. (1.00000) CR ( 2) S 4 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.00000) CR ( 3) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.00000) CR ( 4) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. (1.00000) CR ( 5) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.00000) CR ( 1) S 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.00000) CR ( 2) S 5 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.00000) CR ( 3) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.00000) CR ( 4) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (1.00000) CR ( 5) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.00000) CR ( 1) S 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.00000) CR ( 2) S 6 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.00000) CR ( 3) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.00000) CR ( 4) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (1.00000) CR ( 5) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (0.99999) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (0.99999) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (0.99999) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (1.00000) CR ( 1) P 10 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (1.00000) CR ( 2) P 10 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.00000) CR ( 3) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.00000) CR ( 4) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.00000) CR ( 5) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (0.99999) CR ( 1) C 11 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (0.99999) CR ( 1) C 12 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (0.99999) CR ( 1) C 13 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (0.99999) CR ( 1) C 14 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (0.99999) CR ( 1) C 15 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (0.92996) LP ( 1)Tc 1 s( 0.35%)p 0.11( 0.04%)d99.99( 99.48%) f 0.35( 0.12%)g 0.02( 0.01%) 0.0000 0.0590 0.0015 0.0003 0.0016 0.0016 -0.0002 0.0000 -0.0055 0.0015 -0.0017 -0.0013 0.0000 -0.0163 0.0007 -0.0086 0.0000 0.0000 -0.0007 0.0007 -0.0008 -0.0002 0.2243 0.0212 -0.0013 0.0012 -0.0222 0.0060 0.0001 -0.0001 -0.0717 0.0017 -0.0003 -0.0003 0.9685 -0.0031 -0.0049 0.0030 0.0104 0.0145 0.0001 0.0011 0.0029 0.0017 -0.0008 -0.0001 -0.0176 -0.0097 0.0045 -0.0002 0.0094 0.0067 -0.0026 -0.0005 0.0072 0.0012 0.0007 -0.0001 0.0035 0.0012 -0.0002 0.0000 0.0179 0.0062 -0.0009 0.0002 0.0138 0.0029 0.0012 -0.0002 0.0012 -0.0007 0.0001 -0.0001 -0.0015 0.0002 0.0043 -0.0001 0.0021 -0.0001 0.0009 0.0001 -0.0005 0.0002 -0.0040 -0.0017 -0.0059 0.0012 44. (0.88444) LP ( 2)Tc 1 s( 0.00%)p 1.00( 0.02%)d99.99( 99.89%) f 5.17( 0.08%)g 0.89( 0.01%) 0.0000 -0.0001 0.0019 0.0004 -0.0004 0.0001 0.0000 0.0000 0.0001 0.0001 -0.0006 0.0000 0.0000 0.0001 -0.0002 0.0002 0.0001 0.0000 0.0097 -0.0050 -0.0058 0.0014 -0.0632 0.0025 -0.0013 0.0000 0.9635 -0.0227 -0.0103 0.0014 -0.2486 -0.0059 0.0013 -0.0017 0.0190 -0.0012 -0.0004 0.0001 -0.0616 -0.0017 0.0017 -0.0001 -0.0044 -0.0053 0.0014 0.0000 -0.0085 -0.0015 -0.0003 0.0000 0.0030 0.0010 -0.0003 0.0000 0.0066 -0.0029 0.0029 0.0001 -0.0217 -0.0105 0.0048 0.0002 -0.0013 -0.0009 0.0009 -0.0001 0.0024 -0.0002 0.0007 0.0000 0.0001 -0.0003 0.0000 0.0014 0.0023 -0.0007 0.0018 0.0000 0.0011 -0.0003 -0.0100 0.0003 0.0050 0.0005 0.0003 0.0000 0.0012 0.0000 45. (0.98943) LP ( 1) S 2 s( 68.34%)p 0.46( 31.62%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8266 0.0018 0.0022 -0.0003 0.0000 0.0000 0.0000 0.0000 0.1492 -0.0025 0.0018 0.0008 0.0000 0.0000 -0.2867 0.0043 -0.0020 -0.0009 0.0000 0.0000 -0.4601 0.0054 -0.0037 -0.0012 0.0000 0.0031 -0.0009 -0.0002 0.0000 0.0053 -0.0040 -0.0010 -0.0002 -0.0163 0.0054 -0.0005 -0.0002 -0.0053 -0.0049 -0.0010 -0.0003 -0.0043 0.0047 -0.0001 -0.0001 0.0020 0.0004 0.0022 -0.0010 -0.0026 0.0007 -0.0008 -0.0004 0.0038 -0.0004 -0.0019 0.0008 -0.0011 -0.0003 0.0001 -0.0005 -0.0006 0.0003 -0.0002 0.0003 -0.0002 0.0001 0.0000 46. (0.83523) LP ( 2) S 2 s( 1.69%)p58.00( 98.04%)d 0.14( 0.24%) f 0.02( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1298 -0.0070 -0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0416 0.0051 -0.0036 -0.0001 0.0000 0.0000 -0.7263 0.0079 -0.0053 0.0008 0.0001 0.0000 0.6715 -0.0054 0.0010 -0.0010 0.0000 0.0168 -0.0058 -0.0005 -0.0001 -0.0175 0.0036 0.0000 0.0004 0.0039 -0.0028 -0.0003 0.0001 0.0150 -0.0077 -0.0004 0.0000 0.0373 -0.0079 -0.0012 0.0000 0.0036 -0.0001 0.0023 -0.0009 0.0061 -0.0005 0.0115 -0.0016 -0.0039 0.0000 -0.0040 0.0007 -0.0083 0.0001 0.0017 0.0028 0.0018 0.0014 -0.0003 -0.0001 0.0006 0.0013 0.0015 47. (0.70030) LP ( 3) S 2 s( 17.63%)p 4.64( 81.80%)d 0.03( 0.54%) f 0.00( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.4193 -0.0215 -0.0026 0.0005 0.0000 0.0000 0.0000 0.0000 0.4510 0.0127 -0.0028 0.0001 0.0000 0.0000 0.5587 -0.0064 -0.0019 -0.0009 0.0000 0.0000 0.5497 -0.0071 -0.0051 -0.0010 0.0001 0.0159 0.0005 -0.0001 0.0002 0.0293 -0.0058 -0.0001 0.0004 0.0480 -0.0149 -0.0010 0.0004 -0.0257 0.0035 0.0003 0.0001 0.0316 -0.0072 -0.0006 0.0004 -0.0027 0.0000 0.0052 -0.0015 0.0114 -0.0018 -0.0002 0.0002 0.0074 -0.0002 0.0044 -0.0002 0.0045 -0.0003 -0.0018 0.0017 0.0023 0.0000 0.0039 -0.0019 0.0013 -0.0016 -0.0004 48. (0.99563) LP ( 1) S 3 s( 76.15%)p 0.31( 23.81%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8725 -0.0129 0.0011 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.2528 0.0020 -0.0028 -0.0017 0.0000 0.0000 0.3653 -0.0043 0.0010 0.0009 0.0000 0.0000 -0.2018 0.0031 -0.0025 -0.0014 0.0000 0.0108 -0.0020 -0.0009 0.0001 -0.0001 0.0032 0.0014 0.0000 0.0139 0.0005 0.0006 0.0001 -0.0057 -0.0015 -0.0016 -0.0002 0.0018 0.0001 -0.0001 0.0000 0.0030 -0.0007 -0.0014 0.0013 0.0002 0.0009 0.0006 0.0006 0.0035 -0.0011 0.0030 -0.0014 0.0018 0.0002 0.0001 0.0002 -0.0001 0.0004 0.0000 0.0001 0.0000 0.0002 0.0005 49. (0.91419) LP ( 2) S 3 s( 0.68%)p99.99( 99.08%)d 0.28( 0.19%) f 0.06( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0825 0.0056 0.0014 0.0003 -0.0002 0.0000 0.0000 0.0000 -0.2808 0.0090 0.0007 -0.0003 0.0000 0.0000 -0.7307 0.0187 -0.0027 0.0007 0.0000 0.0000 -0.6143 0.0143 -0.0028 0.0001 0.0000 -0.0043 -0.0008 0.0011 -0.0001 -0.0156 0.0015 0.0014 -0.0002 0.0039 -0.0028 0.0007 -0.0002 -0.0239 0.0043 0.0012 0.0000 -0.0319 0.0041 0.0007 0.0001 -0.0060 0.0002 0.0051 -0.0004 0.0066 -0.0005 -0.0101 0.0020 0.0099 -0.0012 -0.0036 0.0009 -0.0078 0.0013 -0.0017 0.0023 0.0014 0.0007 0.0003 0.0006 0.0016 -0.0024 -0.0022 50. (0.99599) LP ( 1) S 4 s( 75.09%)p 0.33( 24.88%)d 0.00( 0.03%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8664 -0.0125 0.0005 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0621 -0.0005 -0.0017 -0.0013 0.0000 0.0000 -0.4931 0.0077 -0.0033 -0.0013 -0.0001 0.0000 -0.0407 0.0007 -0.0003 -0.0001 0.0000 -0.0099 0.0003 -0.0006 -0.0001 -0.0011 0.0000 -0.0001 0.0000 -0.0006 0.0006 0.0005 0.0000 0.0135 -0.0007 -0.0007 0.0001 -0.0023 -0.0033 -0.0026 0.0000 0.0002 -0.0003 0.0045 -0.0017 0.0017 -0.0018 0.0005 -0.0003 -0.0010 0.0002 0.0034 0.0002 0.0017 -0.0003 0.0003 0.0000 -0.0002 0.0008 0.0001 0.0001 -0.0002 0.0001 0.0004 51. (0.93924) LP ( 2) S 4 s( 3.10%)p31.21( 96.67%)d 0.06( 0.19%) f 0.01( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1760 0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.0000 -0.8889 0.0227 -0.0015 0.0005 0.0000 0.0000 0.4165 -0.0130 0.0033 -0.0010 0.0000 0.0000 0.0499 -0.0016 0.0003 -0.0001 0.0000 -0.0317 0.0056 0.0003 0.0000 -0.0024 0.0005 0.0000 0.0000 0.0029 -0.0004 -0.0001 0.0000 -0.0285 0.0020 0.0022 -0.0001 -0.0008 0.0004 -0.0005 0.0000 0.0026 -0.0003 -0.0133 0.0010 0.0095 -0.0013 0.0000 0.0000 0.0022 -0.0002 0.0009 0.0003 -0.0095 0.0012 0.0002 -0.0003 0.0008 -0.0037 -0.0025 -0.0006 0.0005 0.0007 -0.0002 52. (0.99547) LP ( 1) S 5 s( 76.04%)p 0.31( 23.92%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8719 -0.0132 0.0010 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.2473 0.0016 -0.0025 -0.0017 -0.0001 0.0000 0.3233 -0.0038 0.0005 0.0007 0.0000 0.0000 0.2711 -0.0042 0.0028 0.0017 0.0000 0.0103 -0.0016 -0.0006 0.0000 0.0025 -0.0034 -0.0015 0.0000 -0.0129 -0.0003 -0.0002 -0.0001 -0.0082 -0.0018 -0.0016 -0.0002 -0.0023 0.0002 -0.0002 0.0000 -0.0025 0.0009 -0.0027 0.0018 0.0016 0.0006 -0.0001 -0.0001 -0.0035 0.0010 0.0022 -0.0012 0.0019 0.0003 0.0001 -0.0002 -0.0001 0.0003 0.0001 0.0001 -0.0002 0.0002 0.0005 53. (0.91496) LP ( 2) S 5 s( 0.72%)p99.99( 99.05%)d 0.26( 0.19%) f 0.06( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0845 0.0051 0.0013 0.0003 -0.0002 0.0000 0.0000 0.0000 -0.2552 0.0086 0.0008 -0.0003 0.0000 0.0000 -0.8301 0.0215 -0.0032 0.0006 0.0000 0.0000 0.4855 -0.0109 0.0021 0.0000 0.0000 -0.0073 -0.0004 0.0012 -0.0002 0.0131 -0.0013 -0.0012 0.0002 0.0099 0.0009 -0.0012 0.0002 -0.0227 0.0046 0.0010 0.0000 -0.0316 0.0047 0.0005 0.0001 0.0075 -0.0003 0.0023 0.0001 0.0014 0.0001 0.0098 -0.0018 -0.0093 0.0010 -0.0052 0.0010 -0.0106 0.0018 -0.0019 -0.0022 -0.0005 -0.0002 0.0014 -0.0007 -0.0009 -0.0027 -0.0022 54. (0.98952) LP ( 1) S 6 s( 68.11%)p 0.47( 31.84%)d 0.00( 0.05%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8253 0.0019 0.0021 -0.0003 0.0000 0.0000 0.0000 0.0000 0.1688 -0.0036 0.0019 0.0008 0.0000 0.0000 -0.3629 0.0056 -0.0030 -0.0010 0.0000 0.0000 0.3977 -0.0041 0.0030 0.0009 0.0000 0.0045 -0.0016 -0.0004 -0.0001 -0.0047 0.0045 0.0010 0.0002 0.0174 -0.0059 0.0008 0.0003 -0.0029 -0.0053 -0.0010 -0.0001 0.0010 0.0028 0.0000 -0.0001 -0.0029 0.0000 0.0009 -0.0009 -0.0014 0.0006 0.0002 0.0004 -0.0035 0.0004 -0.0029 0.0009 -0.0015 -0.0004 0.0003 0.0004 0.0003 0.0006 -0.0002 -0.0004 0.0000 0.0001 0.0001 55. (0.83649) LP ( 2) S 6 s( 1.40%)p70.29( 98.35%)d 0.16( 0.22%) f 0.02( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1180 -0.0077 -0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0746 0.0031 -0.0022 0.0000 0.0000 0.0000 -0.6155 0.0087 -0.0056 0.0006 0.0001 0.0000 -0.7739 0.0059 -0.0016 0.0011 0.0000 0.0107 -0.0032 -0.0009 0.0000 0.0216 -0.0041 -0.0003 -0.0004 -0.0156 0.0053 0.0007 -0.0001 0.0140 -0.0070 -0.0004 -0.0001 0.0320 -0.0062 -0.0011 0.0001 -0.0004 -0.0001 0.0038 -0.0009 0.0097 -0.0008 -0.0114 0.0014 0.0050 0.0002 -0.0041 0.0009 -0.0067 -0.0001 0.0007 -0.0026 -0.0027 0.0001 0.0005 0.0003 -0.0011 0.0010 0.0014 56. (0.70231) LP ( 3) S 6 s( 18.00%)p 4.52( 81.43%)d 0.03( 0.55%) f 0.00( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.4236 -0.0231 -0.0025 0.0005 0.0000 0.0000 0.0000 0.0000 0.4268 0.0138 -0.0032 0.0001 0.0000 0.0000 0.6339 -0.0078 -0.0028 -0.0009 0.0000 0.0000 -0.4795 0.0046 0.0052 0.0008 -0.0001 0.0195 -0.0010 0.0001 0.0002 -0.0231 0.0059 0.0000 -0.0003 -0.0513 0.0162 0.0011 -0.0005 -0.0346 0.0055 0.0004 0.0000 0.0195 -0.0029 -0.0003 0.0003 0.0073 -0.0007 0.0035 -0.0014 0.0095 -0.0014 0.0032 -0.0006 -0.0087 0.0004 0.0030 -0.0001 0.0044 -0.0004 -0.0026 -0.0006 -0.0011 -0.0010 0.0034 0.0030 -0.0004 -0.0016 -0.0010 57. (0.51352) LP ( 1) C 11 s( 2.64%)p36.71( 97.05%)d 0.07( 0.19%) f 0.04( 0.10%)g 0.01( 0.02%) 0.0000 0.1610 -0.0227 -0.0023 -0.0004 0.0001 0.0000 0.0128 0.0294 -0.0009 0.0022 -0.9811 -0.0238 0.0116 -0.0006 -0.0793 -0.0042 0.0008 -0.0001 -0.0391 -0.0018 0.0010 -0.0032 -0.0001 0.0001 0.0058 -0.0001 0.0000 -0.0156 0.0018 -0.0004 -0.0094 0.0015 -0.0001 -0.0021 -0.0006 0.0031 0.0013 -0.0075 -0.0017 -0.0019 -0.0002 0.0024 -0.0004 -0.0144 0.0011 -0.0261 -0.0006 0.0002 -0.0021 0.0016 0.0010 -0.0111 -0.0011 -0.0023 0.0011 0.0051 58. (0.97834) BD ( 1)Tc 1- P 10 ( 41.36%) 0.6431*Tc 1 s( 9.70%)p 0.01( 0.07%)d 9.29( 90.04%) f 0.02( 0.17%)g 0.00( 0.03%) 0.0000 0.3113 -0.0036 0.0021 0.0034 0.0017 0.0001 0.0000 0.0158 0.0176 0.0022 -0.0003 0.0000 -0.0044 -0.0122 0.0012 0.0009 0.0000 -0.0018 -0.0007 0.0005 0.0001 -0.7844 -0.0339 -0.0120 0.0024 -0.0707 -0.0023 -0.0001 0.0002 0.0606 0.0000 -0.0002 0.0001 0.1717 -0.0167 0.0026 -0.0025 -0.4953 -0.0009 -0.0068 0.0013 0.0033 0.0015 0.0002 0.0000 0.0185 -0.0027 -0.0025 -0.0001 0.0089 0.0129 -0.0005 -0.0001 -0.0017 0.0003 -0.0003 0.0000 -0.0057 0.0002 0.0004 -0.0001 0.0160 0.0016 -0.0025 0.0007 -0.0200 -0.0191 -0.0007 -0.0002 0.0088 -0.0008 0.0008 -0.0003 -0.0017 0.0002 -0.0015 0.0008 0.0048 -0.0012 0.0003 -0.0001 0.0014 -0.0004 -0.0119 0.0015 -0.0015 0.0009 ( 58.64%) 0.7658* P 10 s( 35.78%)p 1.79( 63.88%)d 0.01( 0.26%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.0000 0.5971 -0.0347 0.0037 0.0002 0.0000 0.0000 0.0000 0.0000 -0.6814 -0.0324 0.0005 0.0022 0.0001 0.0000 0.4147 0.0349 0.0008 -0.0007 0.0001 0.0000 0.0150 0.0023 -0.0001 0.0000 0.0001 0.0219 -0.0355 0.0033 -0.0007 0.0002 0.0034 0.0003 -0.0001 -0.0002 0.0003 0.0000 -0.0001 -0.0133 -0.0118 -0.0015 0.0002 0.0158 -0.0174 0.0023 -0.0004 0.0055 0.0005 0.0106 0.0045 -0.0072 -0.0033 0.0027 0.0006 -0.0064 -0.0012 0.0055 0.0016 0.0168 0.0074 0.0038 0.0013 -0.0007 -0.0022 0.0055 0.0001 -0.0001 -0.0053 -0.0059 59. (0.99055) BD ( 1) S 2- S 3 ( 46.59%) 0.6826* S 2 s( 12.43%)p 6.95( 86.43%)d 0.08( 1.05%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3510 0.0335 -0.0041 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8692 -0.0453 0.0051 -0.0019 0.0000 0.0000 0.2742 -0.0109 -0.0030 0.0005 0.0000 0.0000 0.1757 -0.0230 -0.0034 0.0005 0.0000 -0.0430 0.0050 0.0001 0.0001 -0.0402 0.0159 -0.0004 0.0001 0.0138 -0.0086 -0.0004 0.0000 0.0699 0.0148 0.0001 0.0000 -0.0348 -0.0138 0.0003 -0.0002 -0.0029 -0.0013 0.0108 0.0029 -0.0008 -0.0012 0.0031 0.0022 -0.0072 0.0010 -0.0198 -0.0015 0.0126 0.0014 0.0033 0.0013 0.0002 -0.0048 0.0004 -0.0018 0.0000 0.0043 -0.0046 ( 53.41%) 0.7308* S 3 s( 11.76%)p 7.38( 86.81%)d 0.11( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3420 0.0245 -0.0048 0.0002 0.0003 0.0000 0.0000 0.0000 0.8963 0.0237 -0.0057 -0.0019 0.0000 0.0000 -0.2379 -0.0028 -0.0007 0.0010 0.0000 0.0000 -0.0813 -0.0312 -0.0059 0.0004 -0.0001 -0.0428 -0.0024 0.0027 -0.0001 0.0024 -0.0099 0.0012 0.0000 0.0005 0.0047 -0.0002 0.0001 0.0888 -0.0037 -0.0015 0.0003 -0.0566 -0.0001 0.0017 -0.0001 0.0047 0.0003 -0.0150 -0.0007 0.0036 0.0005 -0.0087 0.0003 -0.0015 0.0000 0.0229 -0.0009 -0.0141 -0.0002 0.0033 0.0030 -0.0004 -0.0047 0.0011 -0.0025 0.0019 0.0053 -0.0054 60. (0.99313) BD ( 1) S 3- S 4 ( 49.97%) 0.7069* S 3 s( 11.52%)p 7.56( 87.13%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3371 0.0402 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1911 -0.0409 -0.0038 0.0000 -0.0001 0.0000 -0.5204 -0.0191 0.0011 -0.0006 0.0001 0.0000 0.7491 0.0271 -0.0021 0.0011 -0.0001 0.0150 0.0072 -0.0001 0.0001 -0.0209 -0.0094 -0.0004 0.0001 -0.0842 -0.0027 0.0011 -0.0002 -0.0250 -0.0041 0.0010 -0.0001 0.0617 -0.0007 0.0005 0.0000 -0.0010 0.0014 -0.0100 -0.0002 -0.0252 0.0001 -0.0064 -0.0009 0.0139 -0.0004 0.0018 0.0000 -0.0032 0.0013 -0.0024 -0.0034 -0.0045 -0.0035 0.0056 0.0046 -0.0003 -0.0019 -0.0013 ( 50.03%) 0.7073* S 4 s( 11.02%)p 7.94( 87.55%)d 0.12( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3302 0.0350 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3056 -0.0033 -0.0042 0.0005 -0.0001 0.0000 0.5936 0.0085 -0.0034 0.0000 -0.0001 0.0000 -0.6538 -0.0479 -0.0015 -0.0001 0.0000 0.0475 -0.0056 -0.0003 0.0001 -0.0507 -0.0012 0.0000 0.0000 -0.0850 -0.0040 0.0015 -0.0003 -0.0224 -0.0012 0.0013 -0.0001 0.0211 0.0034 0.0004 0.0000 -0.0045 0.0008 0.0091 0.0004 0.0219 -0.0010 0.0100 0.0000 -0.0174 -0.0004 -0.0097 0.0004 0.0018 -0.0005 -0.0039 -0.0029 -0.0050 -0.0041 0.0055 0.0041 0.0002 -0.0009 -0.0011 61. (0.99312) BD ( 1) S 4- S 5 ( 49.99%) 0.7070* S 4 s( 10.92%)p 8.03( 87.66%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3286 0.0347 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3269 -0.0019 -0.0042 0.0005 -0.0001 0.0000 0.4733 0.0002 -0.0037 0.0000 -0.0001 0.0000 0.7371 0.0488 0.0009 0.0002 0.0000 0.0401 -0.0055 -0.0003 0.0001 0.0606 0.0005 -0.0001 0.0001 0.0763 0.0032 -0.0017 0.0003 -0.0065 -0.0006 0.0010 -0.0001 0.0424 0.0046 -0.0001 0.0001 0.0125 -0.0012 0.0148 0.0004 0.0190 -0.0005 -0.0026 -0.0004 0.0167 0.0002 -0.0062 0.0005 0.0038 -0.0005 -0.0008 0.0049 0.0070 -0.0011 0.0055 -0.0025 0.0013 -0.0009 -0.0002 ( 50.01%) 0.7072* S 5 s( 11.44%)p 7.62( 87.22%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3359 0.0397 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2199 -0.0418 -0.0040 -0.0001 -0.0001 0.0000 -0.3810 -0.0141 0.0007 -0.0003 0.0001 0.0000 -0.8221 -0.0283 0.0023 -0.0012 0.0001 0.0128 0.0056 -0.0002 0.0002 0.0283 0.0104 0.0004 -0.0001 0.0647 0.0033 -0.0014 0.0002 -0.0112 -0.0032 0.0009 -0.0001 0.0831 -0.0003 0.0001 0.0001 -0.0086 -0.0013 -0.0138 -0.0003 -0.0233 0.0003 -0.0019 0.0012 -0.0117 0.0004 -0.0010 0.0001 -0.0043 0.0011 0.0000 0.0056 0.0056 -0.0006 0.0054 -0.0030 0.0018 -0.0018 -0.0003 62. (0.99034) BD ( 1) S 5- S 6 ( 53.27%) 0.7298* S 5 s( 11.93%)p 7.26( 86.63%)d 0.11( 1.32%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3444 0.0258 -0.0043 0.0002 0.0003 0.0000 0.0000 0.0000 0.8984 0.0261 -0.0051 -0.0019 0.0001 0.0000 -0.2397 -0.0075 -0.0016 0.0010 0.0000 0.0000 0.0030 0.0296 0.0062 -0.0001 0.0001 -0.0407 -0.0039 0.0029 -0.0001 -0.0177 0.0092 -0.0005 -0.0001 0.0031 -0.0036 -0.0002 -0.0001 0.0894 -0.0038 -0.0016 0.0003 -0.0556 -0.0023 0.0017 -0.0001 -0.0017 0.0001 -0.0152 -0.0007 0.0030 0.0007 0.0041 -0.0002 0.0019 0.0004 0.0239 -0.0009 -0.0152 -0.0001 0.0037 -0.0016 0.0002 -0.0054 0.0015 0.0009 -0.0010 0.0052 -0.0058 ( 46.73%) 0.6836* S 6 s( 12.61%)p 6.84( 86.27%)d 0.08( 1.04%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3532 0.0360 -0.0042 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8756 -0.0441 0.0044 -0.0021 0.0000 0.0000 0.2909 -0.0145 -0.0032 0.0006 0.0000 0.0000 -0.0936 0.0221 0.0033 -0.0003 0.0000 -0.0476 0.0072 0.0002 0.0000 0.0267 -0.0167 0.0006 -0.0001 -0.0125 0.0093 0.0002 0.0000 0.0696 0.0155 0.0001 0.0000 -0.0406 -0.0106 0.0005 -0.0002 0.0007 0.0006 0.0134 0.0028 -0.0018 -0.0009 0.0013 -0.0020 0.0066 -0.0013 -0.0189 -0.0020 0.0130 0.0019 0.0033 -0.0004 -0.0002 -0.0049 0.0003 0.0001 0.0008 0.0045 -0.0047 63. (0.98964) BD ( 1) C 7- P 10 ( 62.16%) 0.7884* C 7 s( 27.01%)p 2.69( 72.63%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5194 -0.0191 -0.0032 -0.0002 0.0000 0.0001 -0.3502 -0.0085 -0.0037 0.0000 0.1813 0.0054 0.0024 -0.0001 -0.7552 -0.0142 -0.0071 -0.0005 -0.0076 -0.0007 0.0005 0.0344 0.0003 -0.0006 -0.0185 0.0002 0.0002 0.0054 0.0002 -0.0002 0.0360 0.0000 -0.0004 -0.0082 0.0009 -0.0118 0.0024 0.0063 -0.0013 -0.0079 0.0000 0.0111 0.0002 0.0008 0.0003 -0.0106 -0.0020 0.0021 0.0084 -0.0043 0.0046 -0.0064 0.0003 -0.0009 0.0004 0.0009 ( 37.84%) 0.6151* P 10 s( 21.40%)p 3.64( 77.80%)d 0.04( 0.78%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4619 0.0245 -0.0013 -0.0001 0.0002 0.0000 0.0000 0.0000 0.3201 -0.0029 -0.0010 0.0002 0.0002 0.0000 -0.1648 -0.0030 -0.0002 0.0002 -0.0001 0.0000 0.8047 -0.0285 0.0002 0.0025 -0.0001 0.0164 0.0049 -0.0010 -0.0001 -0.0585 -0.0006 0.0042 0.0001 0.0306 0.0005 -0.0021 -0.0002 -0.0109 0.0011 0.0004 0.0001 -0.0539 0.0072 0.0041 0.0003 -0.0002 0.0026 -0.0047 0.0041 0.0031 -0.0021 0.0026 0.0021 -0.0054 -0.0028 0.0004 -0.0004 0.0084 0.0010 0.0019 0.0040 -0.0023 0.0019 -0.0029 0.0003 0.0009 0.0015 0.0022 64. (0.99396) BD ( 1) C 7- H 16 ( 61.22%) 0.7825* C 7 s( 24.61%)p 3.06( 75.21%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4960 0.0086 0.0006 0.0003 0.0001 0.0000 0.7621 -0.0063 -0.0020 0.0002 -0.3992 0.0031 0.0010 -0.0001 -0.1087 -0.0108 -0.0018 -0.0001 -0.0236 -0.0030 -0.0003 -0.0178 0.0024 0.0000 0.0099 -0.0019 0.0001 0.0161 0.0022 0.0002 -0.0065 -0.0064 -0.0006 -0.0114 0.0007 -0.0040 -0.0008 0.0016 0.0004 -0.0051 -0.0014 0.0073 0.0020 0.0009 -0.0001 -0.0063 0.0002 0.0039 0.0012 -0.0007 -0.0041 0.0058 -0.0007 0.0055 -0.0036 -0.0094 ( 38.78%) 0.6227* H 16 s( 99.85%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0026 0.0000 0.0000 0.0303 -0.0027 0.0025 -0.0158 0.0018 -0.0014 -0.0105 -0.0033 -0.0006 -0.0065 -0.0023 -0.0008 -0.0004 0.0004 0.0002 0.0044 0.0016 -0.0035 -0.0017 -0.0006 0.0051 -0.0027 0.0013 -0.0019 -0.0009 0.0073 65. (0.99300) BD ( 1) C 7- H 17 ( 61.47%) 0.7840* C 7 s( 23.94%)p 3.17( 75.87%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4892 0.0086 0.0011 -0.0001 -0.0001 0.0000 0.1301 -0.0047 0.0003 0.0002 0.7333 0.0004 -0.0021 -0.0001 0.4515 -0.0127 -0.0018 -0.0001 0.0018 0.0026 0.0004 0.0023 0.0009 -0.0005 0.0160 0.0072 0.0005 -0.0303 0.0005 -0.0001 -0.0122 0.0027 -0.0004 -0.0022 -0.0013 -0.0079 -0.0017 0.0048 -0.0011 -0.0001 -0.0006 0.0100 -0.0004 0.0034 0.0003 -0.0076 -0.0009 -0.0041 -0.0037 -0.0043 -0.0045 0.0025 -0.0051 -0.0073 0.0057 -0.0025 ( 38.53%) 0.6208* H 17 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0009 0.0002 0.0000 0.0071 0.0005 0.0008 0.0309 -0.0016 0.0026 0.0133 -0.0037 0.0013 0.0023 0.0009 0.0012 0.0005 0.0061 0.0027 -0.0054 -0.0019 0.0006 -0.0003 0.0041 0.0002 -0.0022 0.0064 -0.0028 0.0019 0.0040 66. (0.99178) BD ( 1) C 7- H 18 ( 62.19%) 0.7886* C 7 s( 24.29%)p 3.11( 75.52%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4928 0.0089 0.0012 0.0000 0.0000 0.0000 -0.5265 -0.0035 0.0014 0.0001 -0.5176 0.0037 0.0017 0.0001 0.4582 -0.0111 -0.0032 -0.0003 0.0284 0.0005 0.0002 -0.0125 -0.0056 -0.0004 -0.0122 -0.0043 0.0000 0.0095 -0.0031 -0.0002 -0.0114 0.0024 -0.0003 -0.0025 -0.0014 -0.0085 0.0000 0.0038 0.0019 -0.0097 0.0006 0.0045 0.0004 -0.0018 0.0001 -0.0085 -0.0010 -0.0044 0.0014 0.0053 -0.0007 0.0053 0.0067 -0.0061 -0.0058 0.0020 ( 37.81%) 0.6149* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0015 0.0001 0.0001 -0.0210 0.0009 -0.0013 -0.0228 0.0012 -0.0021 0.0141 -0.0040 0.0011 0.0056 0.0019 -0.0039 -0.0019 -0.0047 -0.0019 0.0001 -0.0001 0.0007 -0.0002 0.0041 0.0022 0.0012 0.0004 -0.0071 -0.0029 0.0034 67. (0.99002) BD ( 1) C 8- P 10 ( 61.74%) 0.7857* C 8 s( 26.93%)p 2.70( 72.70%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5186 -0.0180 -0.0032 -0.0002 0.0001 0.0000 0.0412 -0.0010 0.0010 0.0003 0.7722 0.0149 0.0086 0.0002 0.3588 0.0062 0.0038 0.0001 0.0044 -0.0006 0.0003 0.0022 -0.0005 0.0001 0.0353 0.0008 -0.0007 -0.0390 -0.0001 0.0005 -0.0122 -0.0006 0.0004 -0.0143 0.0001 -0.0066 -0.0010 0.0033 0.0009 -0.0047 0.0031 0.0039 0.0003 0.0008 0.0007 -0.0156 0.0010 -0.0032 -0.0014 -0.0067 -0.0012 -0.0007 -0.0018 -0.0068 0.0072 -0.0010 ( 38.26%) 0.6185* P 10 s( 21.55%)p 3.60( 77.65%)d 0.04( 0.77%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4635 0.0257 -0.0004 -0.0003 -0.0001 0.0000 0.0000 0.0000 -0.0822 0.0109 -0.0014 -0.0011 0.0002 0.0000 -0.7855 0.0183 -0.0007 -0.0028 0.0000 0.0000 -0.3901 0.0129 0.0000 -0.0012 0.0001 0.0013 0.0056 0.0006 0.0001 0.0004 -0.0008 0.0001 0.0001 -0.0573 -0.0020 0.0045 0.0006 0.0630 -0.0004 -0.0044 -0.0005 0.0197 0.0022 -0.0017 -0.0001 0.0035 0.0034 0.0060 0.0008 -0.0019 -0.0003 -0.0052 0.0031 -0.0036 -0.0005 -0.0052 -0.0004 0.0016 0.0041 -0.0025 -0.0011 -0.0020 -0.0005 -0.0012 -0.0028 -0.0031 0.0040 -0.0009 68. (0.99405) BD ( 1) C 8- H 19 ( 61.16%) 0.7820* C 8 s( 24.65%)p 3.05( 75.17%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4964 0.0074 0.0007 0.0002 0.0000 0.0000 0.7507 -0.0003 -0.0010 0.0003 -0.4210 0.0129 0.0033 -0.0003 0.1034 0.0047 0.0014 0.0001 -0.0145 -0.0070 -0.0005 0.0158 -0.0024 -0.0003 0.0000 -0.0023 -0.0003 0.0242 -0.0003 0.0003 -0.0169 -0.0013 -0.0003 -0.0120 -0.0015 -0.0033 0.0000 0.0024 -0.0007 -0.0020 -0.0003 0.0077 -0.0006 -0.0020 0.0019 -0.0060 -0.0012 0.0045 -0.0046 0.0034 -0.0035 0.0060 0.0011 -0.0010 -0.0051 -0.0086 ( 38.84%) 0.6232* H 19 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0023 -0.0001 0.0000 0.0321 -0.0011 0.0028 -0.0112 0.0044 -0.0013 0.0064 0.0014 0.0002 -0.0064 -0.0025 0.0014 0.0004 -0.0001 -0.0004 0.0028 0.0012 -0.0045 -0.0015 0.0022 0.0046 -0.0027 -0.0005 0.0013 0.0004 0.0076 69. (0.99241) BD ( 1) C 8- H 20 ( 62.31%) 0.7894* C 8 s( 24.06%)p 3.15( 75.75%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4905 0.0078 0.0013 0.0000 0.0000 0.0000 -0.6362 0.0017 0.0031 0.0003 -0.4659 0.0105 0.0016 0.0001 0.3681 0.0056 -0.0002 0.0001 0.0150 0.0058 0.0002 -0.0296 0.0014 0.0002 -0.0089 -0.0031 -0.0006 0.0138 -0.0005 0.0004 0.0003 -0.0037 0.0001 -0.0096 -0.0009 -0.0073 -0.0010 0.0054 -0.0011 -0.0042 0.0001 -0.0024 0.0005 0.0020 -0.0019 -0.0081 -0.0011 -0.0034 0.0055 0.0061 0.0020 0.0013 0.0024 -0.0063 -0.0066 0.0050 ( 37.69%) 0.6139* H 20 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0011 0.0000 0.0000 -0.0229 0.0037 -0.0018 -0.0159 0.0021 -0.0014 0.0186 0.0006 0.0013 0.0062 0.0024 -0.0039 -0.0016 -0.0023 -0.0015 0.0008 0.0006 -0.0016 -0.0008 0.0046 -0.0004 -0.0006 -0.0013 -0.0057 -0.0018 0.0056 70. (0.99185) BD ( 1) C 8- H 21 ( 61.98%) 0.7873* C 8 s( 24.20%)p 3.12( 75.61%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4919 0.0092 0.0009 0.0001 0.0000 0.0000 -0.1667 0.0029 0.0009 -0.0001 0.0740 0.0106 0.0017 0.0002 -0.8501 0.0067 0.0038 0.0001 -0.0047 0.0014 0.0000 0.0108 0.0021 -0.0001 -0.0198 0.0037 -0.0002 -0.0070 0.0038 0.0003 0.0276 0.0056 0.0005 -0.0068 -0.0004 -0.0031 -0.0001 -0.0009 0.0022 0.0003 -0.0010 0.0031 0.0010 0.0016 -0.0003 -0.0145 -0.0008 0.0107 0.0076 -0.0030 0.0009 -0.0025 -0.0002 0.0030 -0.0007 0.0010 ( 38.02%) 0.6166* H 21 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0011 0.0001 0.0000 -0.0029 0.0022 0.0000 0.0079 0.0029 0.0004 -0.0337 0.0035 -0.0030 0.0004 -0.0001 0.0027 0.0010 -0.0005 -0.0003 -0.0013 0.0002 0.0073 0.0031 0.0083 0.0044 -0.0014 0.0009 -0.0007 0.0001 0.0007 71. (0.98986) BD ( 1) C 9- P 10 ( 62.50%) 0.7906* C 9 s( 27.22%)p 2.66( 72.42%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5214 -0.0190 -0.0029 -0.0004 -0.0001 0.0000 -0.6542 -0.0149 -0.0066 -0.0001 -0.3675 -0.0053 -0.0029 -0.0005 0.4009 0.0088 0.0041 0.0002 0.0305 -0.0003 -0.0003 -0.0346 0.0001 0.0006 -0.0175 -0.0006 0.0003 0.0192 0.0003 -0.0005 -0.0077 -0.0005 0.0003 -0.0122 0.0005 -0.0082 -0.0009 0.0057 0.0010 -0.0006 -0.0022 0.0094 -0.0019 -0.0051 -0.0008 -0.0134 0.0011 -0.0040 0.0042 0.0042 0.0020 0.0020 0.0006 -0.0076 -0.0022 0.0060 ( 37.50%) 0.6124* P 10 s( 21.41%)p 3.63( 77.78%)d 0.04( 0.79%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4620 0.0265 -0.0006 0.0001 -0.0001 0.0000 0.0000 0.0000 0.6456 -0.0113 -0.0008 0.0016 0.0001 0.0000 0.4158 -0.0227 -0.0005 0.0019 -0.0002 0.0000 -0.4326 0.0167 -0.0009 -0.0014 0.0001 -0.0467 0.0093 0.0037 0.0001 0.0570 -0.0004 -0.0043 -0.0002 0.0275 0.0020 -0.0025 -0.0002 -0.0361 0.0034 0.0025 0.0002 0.0152 0.0009 -0.0010 -0.0002 0.0039 0.0032 0.0048 0.0012 -0.0040 -0.0004 0.0064 -0.0015 0.0039 -0.0035 0.0036 0.0011 -0.0008 0.0032 -0.0029 0.0007 0.0019 0.0015 0.0001 0.0020 -0.0036 -0.0014 0.0034 72. (0.99403) BD ( 1) C 9- H 22 ( 61.39%) 0.7835* C 9 s( 24.72%)p 3.04( 75.10%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4971 0.0085 0.0007 0.0002 0.0002 0.0000 0.6917 -0.0095 -0.0037 -0.0002 -0.5219 -0.0049 0.0007 0.0000 0.0048 0.0068 0.0005 -0.0002 -0.0283 -0.0041 -0.0005 0.0034 -0.0002 0.0000 -0.0094 0.0038 0.0002 -0.0040 0.0049 0.0004 -0.0190 -0.0013 -0.0002 -0.0106 -0.0015 -0.0047 0.0000 0.0026 0.0006 -0.0049 0.0009 0.0084 0.0001 -0.0004 -0.0019 -0.0053 -0.0006 0.0058 -0.0019 0.0007 -0.0022 0.0072 -0.0003 0.0024 -0.0082 -0.0054 ( 38.61%) 0.6213* H 22 s( 99.86%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0026 0.0000 0.0000 0.0247 -0.0039 0.0022 -0.0247 -0.0006 -0.0019 0.0037 0.0018 0.0003 -0.0064 -0.0026 -0.0007 -0.0001 -0.0004 0.0001 0.0027 0.0010 -0.0045 -0.0015 0.0006 0.0047 -0.0034 0.0002 -0.0008 0.0022 0.0072 73. (0.99320) BD ( 1) C 9- H 23 ( 61.79%) 0.7861* C 9 s( 24.15%)p 3.13( 75.67%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4914 0.0087 0.0013 -0.0001 -0.0001 0.0000 -0.2138 -0.0083 0.0014 0.0003 0.1772 -0.0040 -0.0019 -0.0006 -0.8242 0.0077 0.0023 -0.0001 -0.0001 -0.0022 -0.0001 0.0259 -0.0018 0.0002 -0.0071 -0.0033 0.0002 0.0075 -0.0027 -0.0003 0.0225 0.0059 0.0004 -0.0056 -0.0001 -0.0011 -0.0019 0.0041 -0.0010 -0.0021 -0.0005 0.0045 0.0015 -0.0059 -0.0001 -0.0125 -0.0006 0.0073 0.0075 -0.0070 0.0017 -0.0051 0.0008 0.0020 0.0012 -0.0005 ( 38.21%) 0.6181* H 23 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0008 0.0002 0.0000 -0.0102 -0.0002 -0.0005 0.0053 -0.0012 0.0005 -0.0318 0.0034 -0.0028 0.0005 -0.0004 0.0030 0.0012 -0.0031 -0.0011 -0.0003 -0.0001 0.0067 0.0029 0.0068 0.0046 -0.0042 0.0002 -0.0022 0.0001 0.0004 74. (0.99268) BD ( 1) C 9- H 24 ( 61.23%) 0.7825* C 9 s( 23.76%)p 3.20( 76.06%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4873 0.0086 0.0007 0.0001 0.0000 0.0000 0.2109 -0.0107 -0.0001 0.0001 0.7474 -0.0084 -0.0023 -0.0001 0.3965 0.0034 0.0001 0.0004 0.0035 0.0037 0.0002 -0.0021 0.0045 0.0004 0.0303 0.0009 0.0001 -0.0190 -0.0038 -0.0003 0.0033 -0.0046 0.0002 -0.0069 -0.0008 -0.0099 0.0005 0.0051 0.0014 0.0036 -0.0004 0.0040 0.0007 -0.0038 0.0013 -0.0071 -0.0014 -0.0037 -0.0039 -0.0062 -0.0036 -0.0001 -0.0062 -0.0045 0.0045 -0.0063 ( 38.77%) 0.6227* H 24 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0010 0.0002 0.0000 0.0053 -0.0026 0.0009 0.0271 -0.0030 0.0025 0.0190 0.0000 0.0017 0.0043 0.0013 0.0009 0.0008 0.0049 0.0021 -0.0050 -0.0019 -0.0013 -0.0007 0.0045 0.0004 0.0000 0.0050 -0.0036 0.0038 0.0038 75. (0.98715) BD ( 1) C 11- C 12 ( 49.66%) 0.7047* C 11 s( 32.31%)p 2.09( 67.48%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5685 0.0002 0.0010 0.0001 0.0002 0.0000 0.4543 0.0184 0.0064 0.0015 0.0451 -0.0107 -0.0084 0.0004 0.6815 -0.0364 -0.0007 0.0023 -0.0153 0.0036 0.0003 0.0215 0.0117 0.0008 -0.0092 -0.0007 0.0005 0.0209 0.0050 -0.0023 -0.0013 0.0084 0.0006 0.0022 -0.0007 0.0145 0.0016 0.0015 -0.0004 0.0112 0.0017 -0.0081 0.0001 0.0058 0.0003 -0.0015 0.0003 -0.0059 0.0071 -0.0005 0.0076 -0.0005 -0.0012 -0.0012 0.0011 -0.0007 ( 50.34%) 0.7095* C 12 s( 32.67%)p 2.05( 67.12%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5716 0.0009 0.0009 0.0000 -0.0002 0.0000 -0.5797 0.0349 0.0016 -0.0020 0.2396 -0.0122 -0.0073 0.0012 -0.5255 -0.0138 -0.0049 -0.0023 0.0026 -0.0032 -0.0004 0.0186 0.0111 0.0013 0.0040 -0.0065 0.0000 0.0106 0.0057 -0.0006 0.0276 0.0007 -0.0017 0.0006 0.0003 -0.0125 -0.0021 0.0023 0.0008 -0.0127 -0.0005 0.0017 0.0010 -0.0032 -0.0004 0.0085 -0.0001 -0.0064 0.0003 0.0011 0.0090 -0.0022 0.0004 -0.0036 0.0003 0.0004 76. (0.98668) BD ( 1) C 11- C 15 ( 49.73%) 0.7052* C 11 s( 32.49%)p 2.07( 67.30%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5700 0.0000 0.0010 0.0001 0.0003 0.0000 0.3545 0.0232 0.0063 0.0012 0.1575 -0.0164 -0.0084 0.0009 -0.7216 0.0314 -0.0016 -0.0026 -0.0103 0.0050 0.0004 -0.0259 -0.0092 -0.0003 0.0070 -0.0032 -0.0003 0.0187 0.0033 -0.0024 0.0069 0.0106 0.0005 -0.0065 0.0000 0.0167 0.0020 0.0045 -0.0001 -0.0078 -0.0014 0.0036 -0.0008 0.0052 0.0000 0.0015 0.0005 -0.0015 -0.0105 0.0001 0.0046 0.0021 0.0026 -0.0006 0.0016 -0.0011 ( 50.27%) 0.7090* C 15 s( 32.75%)p 2.05( 67.05%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5723 0.0008 0.0010 0.0000 -0.0002 0.0000 -0.4977 0.0364 0.0023 -0.0017 0.1415 -0.0145 -0.0080 0.0008 0.6333 0.0068 0.0035 0.0028 0.0037 -0.0004 -0.0001 -0.0123 -0.0116 -0.0016 -0.0141 0.0051 0.0005 0.0065 0.0053 -0.0008 0.0288 0.0054 -0.0012 0.0044 0.0008 -0.0147 -0.0023 -0.0017 0.0007 0.0116 0.0003 0.0012 -0.0001 -0.0011 -0.0004 0.0060 -0.0003 -0.0053 -0.0066 -0.0004 0.0083 -0.0018 0.0013 0.0001 0.0007 0.0006 77. (0.99093) BD ( 1) C 11- H 25 ( 63.17%) 0.7948* C 11 s( 32.30%)p 2.09( 67.60%)d 0.00( 0.03%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5683 0.0054 -0.0012 -0.0001 -0.0003 -0.0001 -0.8159 -0.0099 -0.0073 0.0047 0.0768 -0.0029 -0.0019 -0.0002 0.0648 0.0003 0.0004 -0.0003 0.0042 -0.0014 0.0000 -0.0003 -0.0019 -0.0001 -0.0011 0.0000 0.0003 0.0104 0.0122 -0.0014 -0.0001 -0.0068 -0.0014 -0.0022 -0.0003 0.0116 0.0016 -0.0004 0.0001 0.0038 0.0003 -0.0004 -0.0001 -0.0186 -0.0014 0.0085 0.0000 0.0065 0.0025 -0.0009 -0.0055 0.0007 -0.0011 0.0005 0.0044 -0.0008 ( 36.83%) 0.6069* H 25 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0023 0.0002 0.0002 -0.0295 0.0092 -0.0007 0.0022 -0.0005 0.0000 0.0021 -0.0007 0.0000 -0.0025 -0.0006 -0.0018 -0.0004 0.0005 0.0000 0.0097 0.0026 -0.0073 -0.0013 0.0009 -0.0048 0.0002 -0.0012 0.0000 0.0070 -0.0009 78. (0.98667) BD ( 1) C 12- C 13 ( 49.90%) 0.7064* C 12 s( 31.51%)p 2.17( 68.28%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5613 0.0042 0.0010 -0.0001 -0.0003 0.0000 0.7872 -0.0265 -0.0012 0.0024 0.1698 -0.0035 -0.0093 0.0010 -0.1810 -0.0265 -0.0059 -0.0008 -0.0109 0.0033 0.0007 -0.0252 -0.0052 0.0004 0.0035 -0.0035 0.0004 0.0209 0.0112 -0.0002 0.0075 -0.0069 -0.0020 0.0072 0.0016 -0.0033 -0.0002 0.0048 0.0000 -0.0103 -0.0014 0.0057 -0.0008 0.0146 0.0013 0.0016 0.0003 0.0038 0.0087 -0.0009 -0.0017 -0.0029 -0.0054 -0.0003 0.0030 0.0003 ( 50.10%) 0.7078* C 13 s( 30.93%)p 2.23( 68.86%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5561 0.0045 0.0012 0.0002 -0.0001 0.0000 -0.6881 0.0002 -0.0040 -0.0022 0.2138 -0.0052 -0.0080 0.0014 0.4097 -0.0378 -0.0040 0.0018 0.0065 -0.0061 -0.0002 -0.0035 -0.0112 -0.0014 -0.0042 0.0011 0.0006 0.0333 0.0068 -0.0014 -0.0117 -0.0020 -0.0003 -0.0065 -0.0007 0.0023 0.0010 0.0083 -0.0006 0.0117 0.0016 0.0009 -0.0003 -0.0126 -0.0011 0.0027 0.0010 -0.0026 0.0091 -0.0025 0.0032 -0.0015 -0.0039 0.0019 0.0025 -0.0004 79. (0.99073) BD ( 1) C 12- H 26 ( 62.78%) 0.7923* C 12 s( 30.95%)p 2.23( 68.95%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5563 0.0035 -0.0012 0.0002 0.0003 0.0000 -0.2010 -0.0029 -0.0017 0.0012 -0.0501 -0.0056 -0.0037 0.0006 0.8040 0.0093 0.0079 -0.0041 0.0020 0.0003 0.0003 -0.0026 -0.0060 -0.0002 -0.0108 -0.0017 0.0004 0.0039 0.0010 -0.0018 0.0058 0.0139 -0.0006 0.0192 0.0017 -0.0111 -0.0013 -0.0008 -0.0007 0.0056 -0.0002 -0.0003 0.0004 -0.0011 0.0002 0.0016 0.0001 0.0058 -0.0079 -0.0014 -0.0014 0.0016 0.0020 -0.0006 0.0014 -0.0005 ( 37.22%) 0.6101* H 26 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0024 0.0002 0.0001 -0.0087 0.0010 -0.0005 -0.0031 0.0006 -0.0002 0.0298 -0.0047 0.0008 0.0005 0.0000 -0.0054 -0.0011 -0.0007 -0.0003 -0.0004 0.0003 0.0119 0.0026 -0.0068 0.0047 0.0023 -0.0012 -0.0009 0.0001 0.0001 80. (0.98276) BD ( 1) C 13- C 14 ( 50.03%) 0.7073* C 13 s( 28.96%)p 2.45( 70.82%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5381 0.0064 0.0015 0.0001 -0.0001 0.0000 0.0669 -0.0324 -0.0055 0.0003 0.3098 -0.0058 -0.0083 0.0016 -0.7786 0.0181 -0.0029 -0.0025 -0.0033 -0.0013 0.0005 0.0180 -0.0027 -0.0013 0.0037 -0.0070 -0.0005 0.0136 -0.0032 -0.0013 0.0302 0.0109 0.0003 -0.0174 -0.0020 -0.0031 -0.0007 0.0030 0.0014 -0.0018 0.0003 -0.0026 0.0006 -0.0004 0.0006 0.0088 -0.0001 0.0090 -0.0005 -0.0034 -0.0053 0.0012 0.0012 0.0027 0.0027 -0.0012 ( 49.97%) 0.7069* C 14 s( 29.00%)p 2.44( 70.78%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5384 0.0067 0.0017 0.0000 -0.0001 0.0000 0.1810 -0.0347 -0.0057 0.0005 0.1803 -0.0036 -0.0089 0.0010 0.8007 -0.0145 0.0018 0.0028 -0.0020 -0.0013 0.0004 -0.0124 0.0055 0.0016 -0.0147 0.0041 0.0006 0.0099 -0.0015 -0.0009 0.0311 0.0122 0.0002 0.0172 0.0025 0.0031 0.0001 -0.0053 0.0006 0.0034 -0.0003 0.0007 -0.0004 0.0004 0.0005 0.0085 -0.0001 0.0082 0.0065 -0.0003 -0.0036 0.0016 -0.0027 -0.0011 0.0019 -0.0012 81. (0.99109) BD ( 1) C 13- H 27 ( 62.32%) 0.7894* C 13 s( 31.11%)p 2.21( 68.79%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0046 -0.0015 -0.0002 -0.0001 0.0000 0.7043 0.0090 0.0060 -0.0038 -0.0223 -0.0081 -0.0034 0.0006 0.4371 0.0023 0.0047 -0.0024 -0.0073 -0.0009 0.0003 0.0031 0.0123 0.0003 -0.0048 -0.0004 0.0003 0.0070 0.0093 -0.0013 0.0005 -0.0010 -0.0011 -0.0076 -0.0011 0.0050 0.0005 0.0022 -0.0001 0.0167 0.0017 -0.0007 -0.0004 0.0130 0.0008 0.0019 -0.0003 -0.0037 -0.0061 0.0000 0.0046 -0.0001 0.0042 -0.0009 0.0018 -0.0008 ( 37.68%) 0.6138* H 27 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0030 0.0000 0.0002 0.0267 -0.0034 0.0014 -0.0031 -0.0013 -0.0003 0.0140 -0.0036 0.0003 -0.0001 0.0000 0.0100 0.0023 0.0000 0.0000 0.0073 0.0020 -0.0015 0.0000 0.0034 -0.0016 0.0001 -0.0063 0.0013 -0.0044 0.0011 82. (0.98663) BD ( 1) C 14- C 15 ( 50.09%) 0.7078* C 14 s( 31.17%)p 2.20( 68.63%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5582 0.0040 0.0012 0.0002 -0.0002 0.0000 -0.7382 0.0058 -0.0033 -0.0028 0.2618 -0.0113 -0.0088 0.0015 -0.2669 0.0364 0.0033 -0.0013 0.0074 -0.0075 -0.0005 -0.0032 0.0081 0.0014 0.0009 -0.0003 -0.0001 0.0334 0.0088 -0.0012 -0.0111 -0.0049 -0.0007 0.0080 0.0001 0.0070 0.0015 0.0072 -0.0004 -0.0055 -0.0011 0.0020 -0.0002 -0.0140 -0.0013 0.0044 0.0012 0.0030 -0.0094 0.0018 -0.0007 0.0020 0.0036 -0.0025 0.0028 -0.0018 ( 49.91%) 0.7065* C 15 s( 31.62%)p 2.16( 68.17%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5623 0.0034 0.0011 0.0000 -0.0003 0.0000 0.8069 -0.0221 -0.0002 0.0026 0.1417 -0.0084 -0.0099 0.0008 0.0948 0.0292 0.0044 0.0006 -0.0151 0.0030 0.0007 0.0210 0.0025 -0.0007 -0.0063 0.0031 0.0001 0.0229 0.0125 -0.0003 0.0002 -0.0067 -0.0019 -0.0029 -0.0014 -0.0087 -0.0008 0.0056 0.0001 0.0077 0.0011 -0.0058 0.0006 0.0150 0.0016 -0.0012 0.0001 0.0075 -0.0059 -0.0002 -0.0050 -0.0014 0.0031 0.0000 0.0039 -0.0007 83. (0.99072) BD ( 1) C 14- H 29 ( 62.49%) 0.7905* C 14 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5595 0.0041 -0.0015 -0.0002 0.0000 0.0000 0.6334 0.0083 0.0065 -0.0032 0.0510 -0.0070 -0.0033 0.0000 -0.5309 -0.0046 -0.0073 0.0030 -0.0061 0.0008 0.0004 -0.0049 -0.0133 -0.0002 0.0045 -0.0009 0.0002 0.0061 0.0081 -0.0015 0.0025 0.0025 -0.0011 0.0059 0.0008 0.0108 0.0013 0.0040 -0.0002 -0.0157 -0.0016 -0.0036 0.0002 0.0099 0.0006 0.0047 0.0000 -0.0055 0.0020 0.0005 0.0070 -0.0004 -0.0031 -0.0011 0.0010 0.0001 ( 37.51%) 0.6124* H 29 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0025 -0.0001 0.0002 0.0235 -0.0022 0.0012 0.0007 -0.0007 -0.0001 -0.0183 0.0031 -0.0006 0.0015 0.0002 -0.0114 -0.0026 -0.0008 -0.0003 0.0062 0.0018 0.0011 0.0006 -0.0023 -0.0044 -0.0002 0.0065 0.0001 -0.0034 -0.0001 84. (0.99086) BD ( 1) C 15- H 28 ( 62.79%) 0.7924* C 15 s( 31.01%)p 2.22( 68.88%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5569 0.0037 -0.0013 0.0001 0.0003 -0.0001 -0.3116 -0.0044 -0.0028 0.0018 0.0769 -0.0042 -0.0026 -0.0001 -0.7652 -0.0100 -0.0081 0.0040 0.0026 -0.0009 0.0002 0.0039 0.0090 0.0003 0.0076 -0.0022 0.0000 0.0056 0.0023 -0.0018 0.0075 0.0121 -0.0007 -0.0133 -0.0013 -0.0149 -0.0019 0.0069 0.0000 -0.0069 -0.0003 0.0042 -0.0001 -0.0017 0.0001 0.0032 0.0001 0.0017 0.0098 -0.0008 0.0021 -0.0010 -0.0021 0.0003 0.0011 0.0001 ( 37.21%) 0.6100* H 28 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0025 0.0001 0.0001 -0.0127 0.0018 -0.0006 0.0012 -0.0005 0.0000 -0.0282 0.0050 -0.0008 -0.0006 -0.0002 0.0080 0.0016 -0.0023 -0.0005 0.0003 0.0005 0.0098 0.0023 0.0052 0.0065 -0.0007 0.0026 -0.0004 0.0006 -0.0002 85. (0.91554) 3C ( 1)Tc 1- C 12- C 13 ( 24.41%) 0.4940*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 0.3991 0.0093 -0.0125 0.0035 -0.0017 -0.0002 0.0000 -0.0011 0.0053 -0.0020 0.0034 0.0000 0.0103 0.0237 -0.0042 0.0005 0.0000 0.0121 -0.0007 -0.0057 0.0034 0.4065 -0.0103 -0.0056 -0.0052 0.1896 -0.0003 0.0001 -0.0006 0.7138 0.0107 0.0037 -0.0059 -0.0565 -0.0124 -0.0084 0.0065 -0.3505 0.0172 -0.0026 0.0072 -0.0040 -0.0094 -0.0032 -0.0006 0.0149 -0.0050 0.0026 -0.0008 -0.0211 0.0004 0.0038 -0.0016 -0.0093 -0.0089 -0.0029 -0.0003 -0.0037 -0.0035 0.0033 -0.0002 -0.0069 -0.0104 -0.0031 0.0010 -0.0233 -0.0070 0.0031 -0.0012 0.0011 -0.0015 0.0012 -0.0008 0.0007 -0.0011 0.0007 -0.0004 0.0036 -0.0012 -0.0055 0.0002 -0.0024 -0.0010 -0.0016 -0.0006 -0.0053 -0.0009 ( 31.80%) 0.5639* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2139 -0.0259 0.0001 -0.0008 0.0000 0.0000 0.0048 0.0059 0.0044 0.0027 -0.9519 -0.0162 0.0063 -0.0001 -0.2052 -0.0309 0.0029 -0.0021 -0.0150 -0.0129 -0.0002 -0.0040 0.0000 -0.0012 0.0479 -0.0022 0.0001 -0.0132 0.0029 -0.0007 0.0008 0.0032 -0.0012 0.0056 -0.0004 -0.0068 -0.0004 -0.0231 0.0003 -0.0015 -0.0019 0.0094 0.0009 -0.0023 -0.0002 -0.0132 -0.0026 -0.0030 0.0038 -0.0068 0.0011 0.0064 0.0024 0.0051 0.0022 -0.0027 ( 43.79%) 0.6618* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 86. (0.91473) 3C ( 1)Tc 1- C 14- C 15 ( 24.63%) 0.4963*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 0.3891 0.0113 -0.0114 0.0030 -0.0012 -0.0002 0.0000 -0.0020 0.0051 -0.0018 0.0027 0.0000 0.0108 0.0230 -0.0051 0.0010 0.0000 -0.0121 0.0044 0.0056 -0.0028 0.3871 -0.0106 -0.0052 -0.0049 -0.1674 -0.0023 -0.0033 0.0004 -0.6438 -0.0086 -0.0017 0.0033 -0.1588 -0.0146 -0.0075 0.0073 -0.4765 0.0131 -0.0034 0.0081 -0.0048 0.0092 0.0035 0.0003 0.0151 -0.0030 0.0024 -0.0007 -0.0221 -0.0063 0.0017 -0.0017 0.0012 0.0079 0.0052 -0.0005 0.0037 0.0085 -0.0037 -0.0001 -0.0065 -0.0074 -0.0037 0.0010 -0.0250 -0.0080 0.0021 -0.0011 0.0003 -0.0009 -0.0005 -0.0002 -0.0020 0.0018 0.0005 0.0005 0.0012 -0.0011 0.0063 -0.0008 0.0033 0.0012 -0.0007 -0.0004 -0.0061 -0.0006 ( 43.95%) 0.6629* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2868 -0.0231 -0.0018 0.0005 0.0007 0.0000 -0.1348 -0.0330 0.0011 -0.0022 -0.9439 -0.0088 0.0080 0.0014 0.0495 0.0239 -0.0032 0.0001 0.0409 0.0070 -0.0001 -0.0039 0.0009 0.0007 -0.0274 0.0075 0.0011 -0.0075 0.0019 -0.0001 -0.0110 0.0030 -0.0011 0.0004 0.0017 0.0079 0.0005 -0.0111 0.0002 -0.0133 -0.0001 0.0133 -0.0011 0.0049 -0.0015 -0.0192 -0.0016 0.0021 -0.0014 -0.0060 -0.0008 -0.0064 0.0021 0.0075 0.0031 -0.0006 ( 31.42%) 0.5605* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2079 -0.0251 -0.0003 -0.0007 0.0000 0.0000 0.0201 0.0096 0.0040 0.0029 -0.9739 -0.0219 0.0069 -0.0003 0.0443 0.0266 -0.0024 0.0016 -0.0213 -0.0129 -0.0004 0.0017 -0.0018 0.0010 -0.0414 0.0027 0.0003 -0.0199 0.0031 -0.0004 -0.0123 0.0040 -0.0015 -0.0104 0.0006 -0.0110 -0.0007 -0.0172 -0.0002 -0.0080 0.0012 -0.0084 -0.0002 -0.0045 0.0000 -0.0141 -0.0031 0.0013 -0.0014 0.0040 0.0014 0.0108 -0.0004 -0.0029 0.0008 -0.0032 ---------------- non-Lewis ---------------------------------------------------- 87. (0.32601) LV ( 1)Tc 1 s( 58.30%)p 0.00( 0.03%)d 0.71( 41.42%) f 0.00( 0.21%)g 0.00( 0.04%) 0.0000 0.7630 0.0273 -0.0069 0.0002 -0.0024 -0.0001 0.0000 -0.0148 -0.0005 0.0040 0.0057 0.0000 0.0031 -0.0017 -0.0043 0.0026 0.0000 0.0007 -0.0006 -0.0001 0.0001 -0.1087 -0.0003 -0.0029 -0.0029 0.0171 0.0008 0.0015 0.0000 -0.0646 0.0014 -0.0007 -0.0010 -0.0320 0.0007 -0.0070 0.0036 0.6296 -0.0177 0.0019 0.0047 -0.0026 -0.0046 0.0010 -0.0002 -0.0092 -0.0250 0.0020 -0.0007 -0.0229 -0.0213 0.0027 -0.0015 -0.0044 -0.0037 0.0005 -0.0004 0.0008 0.0016 0.0007 -0.0001 -0.0046 -0.0016 -0.0020 0.0005 -0.0154 -0.0083 0.0004 -0.0015 0.0028 -0.0003 0.0032 -0.0003 0.0014 0.0000 -0.0124 0.0006 0.0149 -0.0012 0.0013 -0.0002 0.0022 0.0000 -0.0039 -0.0004 -0.0031 0.0000 88. (0.22062) BD*( 1)Tc 1- P 10 ( 58.64%) 0.7658*Tc 1 s( 9.70%)p 0.01( 0.07%)d 9.29( 90.04%) f 0.02( 0.17%)g 0.00( 0.03%) 0.0000 -0.3113 0.0036 -0.0021 -0.0034 -0.0017 -0.0001 0.0000 -0.0158 -0.0176 -0.0022 0.0003 0.0000 0.0044 0.0122 -0.0012 -0.0009 0.0000 0.0018 0.0007 -0.0005 -0.0001 0.7844 0.0339 0.0120 -0.0024 0.0707 0.0023 0.0001 -0.0002 -0.0606 0.0000 0.0002 -0.0001 -0.1717 0.0167 -0.0026 0.0025 0.4953 0.0009 0.0068 -0.0013 -0.0033 -0.0015 -0.0002 0.0000 -0.0185 0.0027 0.0025 0.0001 -0.0089 -0.0129 0.0005 0.0001 0.0017 -0.0003 0.0003 0.0000 0.0057 -0.0002 -0.0004 0.0001 -0.0160 -0.0016 0.0025 -0.0007 0.0200 0.0191 0.0007 0.0002 -0.0088 0.0008 -0.0008 0.0003 0.0017 -0.0002 0.0015 -0.0008 -0.0048 0.0012 -0.0003 0.0001 -0.0014 0.0004 0.0119 -0.0015 0.0015 -0.0009 ( 41.36%) -0.6431* P 10 s( 35.78%)p 1.79( 63.88%)d 0.01( 0.26%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.0000 -0.5971 0.0347 -0.0037 -0.0002 0.0000 0.0000 0.0000 0.0000 0.6814 0.0324 -0.0005 -0.0022 -0.0001 0.0000 -0.4147 -0.0349 -0.0008 0.0007 -0.0001 0.0000 -0.0150 -0.0023 0.0001 0.0000 -0.0001 -0.0219 0.0355 -0.0033 0.0007 -0.0002 -0.0034 -0.0003 0.0001 0.0002 -0.0003 0.0000 0.0001 0.0133 0.0118 0.0015 -0.0002 -0.0158 0.0174 -0.0023 0.0004 -0.0055 -0.0005 -0.0106 -0.0045 0.0072 0.0033 -0.0027 -0.0006 0.0064 0.0012 -0.0055 -0.0016 -0.0168 -0.0074 -0.0038 -0.0013 0.0007 0.0022 -0.0055 -0.0001 0.0001 0.0053 0.0059 89. (0.05860) BD*( 1) S 2- S 3 ( 53.41%) 0.7308* S 2 s( 12.43%)p 6.95( 86.43%)d 0.08( 1.05%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3510 0.0335 -0.0041 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8692 -0.0453 0.0051 -0.0019 0.0000 0.0000 0.2742 -0.0109 -0.0030 0.0005 0.0000 0.0000 0.1757 -0.0230 -0.0034 0.0005 0.0000 -0.0430 0.0050 0.0001 0.0001 -0.0402 0.0159 -0.0004 0.0001 0.0138 -0.0086 -0.0004 0.0000 0.0699 0.0148 0.0001 0.0000 -0.0348 -0.0138 0.0003 -0.0002 -0.0029 -0.0013 0.0108 0.0029 -0.0008 -0.0012 0.0031 0.0022 -0.0072 0.0010 -0.0198 -0.0015 0.0126 0.0014 0.0033 0.0013 0.0002 -0.0048 0.0004 -0.0018 0.0000 0.0043 -0.0046 ( 46.59%) -0.6826* S 3 s( 11.76%)p 7.38( 86.81%)d 0.11( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3420 0.0245 -0.0048 0.0002 0.0003 0.0000 0.0000 0.0000 0.8963 0.0237 -0.0057 -0.0019 0.0000 0.0000 -0.2379 -0.0028 -0.0007 0.0010 0.0000 0.0000 -0.0813 -0.0312 -0.0059 0.0004 -0.0001 -0.0428 -0.0024 0.0027 -0.0001 0.0024 -0.0099 0.0012 0.0000 0.0005 0.0047 -0.0002 0.0001 0.0888 -0.0037 -0.0015 0.0003 -0.0566 -0.0001 0.0017 -0.0001 0.0047 0.0003 -0.0150 -0.0007 0.0036 0.0005 -0.0087 0.0003 -0.0015 0.0000 0.0229 -0.0009 -0.0141 -0.0002 0.0033 0.0030 -0.0004 -0.0047 0.0011 -0.0025 0.0019 0.0053 -0.0054 90. (0.06933) BD*( 1) S 3- S 4 ( 50.03%) 0.7073* S 3 s( 11.52%)p 7.56( 87.13%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3371 0.0402 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1911 -0.0409 -0.0038 0.0000 -0.0001 0.0000 -0.5204 -0.0191 0.0011 -0.0006 0.0001 0.0000 0.7491 0.0271 -0.0021 0.0011 -0.0001 0.0150 0.0072 -0.0001 0.0001 -0.0209 -0.0094 -0.0004 0.0001 -0.0842 -0.0027 0.0011 -0.0002 -0.0250 -0.0041 0.0010 -0.0001 0.0617 -0.0007 0.0005 0.0000 -0.0010 0.0014 -0.0100 -0.0002 -0.0252 0.0001 -0.0064 -0.0009 0.0139 -0.0004 0.0018 0.0000 -0.0032 0.0013 -0.0024 -0.0034 -0.0045 -0.0035 0.0056 0.0046 -0.0003 -0.0019 -0.0013 ( 49.97%) -0.7069* S 4 s( 11.02%)p 7.94( 87.55%)d 0.12( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3302 0.0350 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3056 -0.0033 -0.0042 0.0005 -0.0001 0.0000 0.5936 0.0085 -0.0034 0.0000 -0.0001 0.0000 -0.6538 -0.0479 -0.0015 -0.0001 0.0000 0.0475 -0.0056 -0.0003 0.0001 -0.0507 -0.0012 0.0000 0.0000 -0.0850 -0.0040 0.0015 -0.0003 -0.0224 -0.0012 0.0013 -0.0001 0.0211 0.0034 0.0004 0.0000 -0.0045 0.0008 0.0091 0.0004 0.0219 -0.0010 0.0100 0.0000 -0.0174 -0.0004 -0.0097 0.0004 0.0018 -0.0005 -0.0039 -0.0029 -0.0050 -0.0041 0.0055 0.0041 0.0002 -0.0009 -0.0011 91. (0.06966) BD*( 1) S 4- S 5 ( 50.01%) 0.7072* S 4 s( 10.92%)p 8.03( 87.66%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3286 -0.0347 0.0005 -0.0002 -0.0001 0.0000 0.0000 0.0000 -0.3269 0.0019 0.0042 -0.0005 0.0001 0.0000 -0.4733 -0.0002 0.0037 0.0000 0.0001 0.0000 -0.7371 -0.0488 -0.0009 -0.0002 0.0000 -0.0401 0.0055 0.0003 -0.0001 -0.0606 -0.0005 0.0001 -0.0001 -0.0763 -0.0032 0.0017 -0.0003 0.0065 0.0006 -0.0010 0.0001 -0.0424 -0.0046 0.0001 -0.0001 -0.0125 0.0012 -0.0148 -0.0004 -0.0190 0.0005 0.0026 0.0004 -0.0167 -0.0002 0.0062 -0.0005 -0.0038 0.0005 0.0008 -0.0049 -0.0070 0.0011 -0.0055 0.0025 -0.0013 0.0009 0.0002 ( 49.99%) -0.7070* S 5 s( 11.44%)p 7.62( 87.22%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3359 -0.0397 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.2199 0.0418 0.0040 0.0001 0.0001 0.0000 0.3810 0.0141 -0.0007 0.0003 -0.0001 0.0000 0.8221 0.0283 -0.0023 0.0012 -0.0001 -0.0128 -0.0056 0.0002 -0.0002 -0.0283 -0.0104 -0.0004 0.0001 -0.0647 -0.0033 0.0014 -0.0002 0.0112 0.0032 -0.0009 0.0001 -0.0831 0.0003 -0.0001 -0.0001 0.0086 0.0013 0.0138 0.0003 0.0233 -0.0003 0.0019 -0.0012 0.0117 -0.0004 0.0010 -0.0001 0.0043 -0.0011 0.0000 -0.0056 -0.0056 0.0006 -0.0054 0.0030 -0.0018 0.0018 0.0003 92. (0.05684) BD*( 1) S 5- S 6 ( 46.73%) 0.6836* S 5 s( 11.93%)p 7.26( 86.63%)d 0.11( 1.32%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3444 -0.0258 0.0043 -0.0002 -0.0003 0.0000 0.0000 0.0000 -0.8984 -0.0261 0.0051 0.0019 -0.0001 0.0000 0.2397 0.0075 0.0016 -0.0010 0.0000 0.0000 -0.0030 -0.0296 -0.0062 0.0001 -0.0001 0.0407 0.0039 -0.0029 0.0001 0.0177 -0.0092 0.0005 0.0001 -0.0031 0.0036 0.0002 0.0001 -0.0894 0.0038 0.0016 -0.0003 0.0556 0.0023 -0.0017 0.0001 0.0017 -0.0001 0.0152 0.0007 -0.0030 -0.0007 -0.0041 0.0002 -0.0019 -0.0004 -0.0239 0.0009 0.0152 0.0001 -0.0037 0.0016 -0.0002 0.0054 -0.0015 -0.0009 0.0010 -0.0052 0.0058 ( 53.27%) -0.7298* S 6 s( 12.61%)p 6.84( 86.27%)d 0.08( 1.04%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 -0.3532 -0.0360 0.0042 -0.0007 0.0000 0.0000 0.0000 0.0000 0.8756 0.0441 -0.0044 0.0021 0.0000 0.0000 -0.2909 0.0145 0.0032 -0.0006 0.0000 0.0000 0.0936 -0.0221 -0.0033 0.0003 0.0000 0.0476 -0.0072 -0.0002 0.0000 -0.0267 0.0167 -0.0006 0.0001 0.0125 -0.0093 -0.0002 0.0000 -0.0696 -0.0155 -0.0001 0.0000 0.0406 0.0106 -0.0005 0.0002 -0.0007 -0.0006 -0.0134 -0.0028 0.0018 0.0009 -0.0013 0.0020 -0.0066 0.0013 0.0189 0.0020 -0.0130 -0.0019 -0.0033 0.0004 0.0002 0.0049 -0.0003 -0.0001 -0.0008 -0.0045 0.0047 93. (0.03391) BD*( 1) C 7- P 10 ( 37.84%) 0.6151* C 7 s( 27.01%)p 2.69( 72.63%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5194 0.0191 0.0032 0.0002 0.0000 -0.0001 0.3502 0.0085 0.0037 0.0000 -0.1813 -0.0054 -0.0024 0.0001 0.7552 0.0142 0.0071 0.0005 0.0076 0.0007 -0.0005 -0.0344 -0.0003 0.0006 0.0185 -0.0002 -0.0002 -0.0054 -0.0002 0.0002 -0.0360 0.0000 0.0004 0.0082 -0.0009 0.0118 -0.0024 -0.0063 0.0013 0.0079 0.0000 -0.0111 -0.0002 -0.0008 -0.0003 0.0106 0.0020 -0.0021 -0.0084 0.0043 -0.0046 0.0064 -0.0003 0.0009 -0.0004 -0.0009 ( 62.16%) -0.7884* P 10 s( 21.40%)p 3.64( 77.80%)d 0.04( 0.78%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4619 -0.0245 0.0013 0.0001 -0.0002 0.0000 0.0000 0.0000 -0.3201 0.0029 0.0010 -0.0002 -0.0002 0.0000 0.1648 0.0030 0.0002 -0.0002 0.0001 0.0000 -0.8047 0.0285 -0.0002 -0.0025 0.0001 -0.0164 -0.0049 0.0010 0.0001 0.0585 0.0006 -0.0042 -0.0001 -0.0306 -0.0005 0.0021 0.0002 0.0109 -0.0011 -0.0004 -0.0001 0.0539 -0.0072 -0.0041 -0.0003 0.0002 -0.0026 0.0047 -0.0041 -0.0031 0.0021 -0.0026 -0.0021 0.0054 0.0028 -0.0004 0.0004 -0.0084 -0.0010 -0.0019 -0.0040 0.0023 -0.0019 0.0029 -0.0003 -0.0009 -0.0015 -0.0022 94. (0.00497) BD*( 1) C 7- H 16 ( 38.78%) 0.6227* C 7 s( 24.61%)p 3.06( 75.21%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4960 -0.0086 -0.0006 -0.0003 -0.0001 0.0000 -0.7621 0.0063 0.0020 -0.0002 0.3992 -0.0031 -0.0010 0.0001 0.1087 0.0108 0.0018 0.0001 0.0236 0.0030 0.0003 0.0178 -0.0024 0.0000 -0.0099 0.0019 -0.0001 -0.0161 -0.0022 -0.0002 0.0065 0.0064 0.0006 0.0114 -0.0007 0.0040 0.0008 -0.0016 -0.0004 0.0051 0.0014 -0.0073 -0.0020 -0.0009 0.0001 0.0063 -0.0002 -0.0039 -0.0012 0.0007 0.0041 -0.0058 0.0007 -0.0055 0.0036 0.0094 ( 61.22%) -0.7825* H 16 s( 99.85%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0026 0.0000 0.0000 -0.0303 0.0027 -0.0025 0.0158 -0.0018 0.0014 0.0105 0.0033 0.0006 0.0065 0.0023 0.0008 0.0004 -0.0004 -0.0002 -0.0044 -0.0016 0.0035 0.0017 0.0006 -0.0051 0.0027 -0.0013 0.0019 0.0009 -0.0073 95. (0.00254) BD*( 1) C 7- H 17 ( 38.53%) 0.6208* C 7 s( 23.94%)p 3.17( 75.87%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4892 -0.0086 -0.0011 0.0001 0.0001 0.0000 -0.1301 0.0047 -0.0003 -0.0002 -0.7333 -0.0004 0.0021 0.0001 -0.4515 0.0127 0.0018 0.0001 -0.0018 -0.0026 -0.0004 -0.0023 -0.0009 0.0005 -0.0160 -0.0072 -0.0005 0.0303 -0.0005 0.0001 0.0122 -0.0027 0.0004 0.0022 0.0013 0.0079 0.0017 -0.0048 0.0011 0.0001 0.0006 -0.0100 0.0004 -0.0034 -0.0003 0.0076 0.0009 0.0041 0.0037 0.0043 0.0045 -0.0025 0.0051 0.0073 -0.0057 0.0025 ( 61.47%) -0.7840* H 17 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0009 -0.0002 0.0000 -0.0071 -0.0005 -0.0008 -0.0309 0.0016 -0.0026 -0.0133 0.0037 -0.0013 -0.0023 -0.0009 -0.0012 -0.0005 -0.0061 -0.0027 0.0054 0.0019 -0.0006 0.0003 -0.0041 -0.0002 0.0022 -0.0064 0.0028 -0.0019 -0.0040 96. (0.00300) BD*( 1) C 7- H 18 ( 37.81%) 0.6149* C 7 s( 24.29%)p 3.11( 75.52%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4928 -0.0089 -0.0012 0.0000 0.0000 0.0000 0.5265 0.0035 -0.0014 -0.0001 0.5176 -0.0037 -0.0017 -0.0001 -0.4582 0.0111 0.0032 0.0003 -0.0284 -0.0005 -0.0002 0.0125 0.0056 0.0004 0.0122 0.0043 0.0000 -0.0095 0.0031 0.0002 0.0114 -0.0024 0.0003 0.0025 0.0014 0.0085 0.0000 -0.0038 -0.0019 0.0097 -0.0006 -0.0045 -0.0004 0.0018 -0.0001 0.0085 0.0010 0.0044 -0.0014 -0.0053 0.0007 -0.0053 -0.0067 0.0061 0.0058 -0.0020 ( 62.19%) -0.7886* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0015 -0.0001 -0.0001 0.0210 -0.0009 0.0013 0.0228 -0.0012 0.0021 -0.0141 0.0040 -0.0011 -0.0056 -0.0019 0.0039 0.0019 0.0047 0.0019 -0.0001 0.0001 -0.0007 0.0002 -0.0041 -0.0022 -0.0012 -0.0004 0.0071 0.0029 -0.0034 97. (0.03095) BD*( 1) C 8- P 10 ( 38.26%) 0.6185* C 8 s( 26.93%)p 2.70( 72.70%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5186 0.0180 0.0032 0.0002 -0.0001 0.0000 -0.0412 0.0010 -0.0010 -0.0003 -0.7722 -0.0149 -0.0086 -0.0002 -0.3588 -0.0062 -0.0038 -0.0001 -0.0044 0.0006 -0.0003 -0.0022 0.0005 -0.0001 -0.0353 -0.0008 0.0007 0.0390 0.0001 -0.0005 0.0122 0.0006 -0.0004 0.0143 -0.0001 0.0066 0.0010 -0.0033 -0.0009 0.0047 -0.0031 -0.0039 -0.0003 -0.0008 -0.0007 0.0156 -0.0010 0.0032 0.0014 0.0067 0.0012 0.0007 0.0018 0.0068 -0.0072 0.0010 ( 61.74%) -0.7857* P 10 s( 21.55%)p 3.60( 77.65%)d 0.04( 0.77%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4635 -0.0257 0.0004 0.0003 0.0001 0.0000 0.0000 0.0000 0.0822 -0.0109 0.0014 0.0011 -0.0002 0.0000 0.7855 -0.0183 0.0007 0.0028 0.0000 0.0000 0.3901 -0.0129 0.0000 0.0012 -0.0001 -0.0013 -0.0056 -0.0006 -0.0001 -0.0004 0.0008 -0.0001 -0.0001 0.0573 0.0020 -0.0045 -0.0006 -0.0630 0.0004 0.0044 0.0005 -0.0197 -0.0022 0.0017 0.0001 -0.0035 -0.0034 -0.0060 -0.0008 0.0019 0.0003 0.0052 -0.0031 0.0036 0.0005 0.0052 0.0004 -0.0016 -0.0041 0.0025 0.0011 0.0020 0.0005 0.0012 0.0028 0.0031 -0.0040 0.0009 98. (0.00434) BD*( 1) C 8- H 19 ( 38.84%) 0.6232* C 8 s( 24.65%)p 3.05( 75.17%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4964 -0.0074 -0.0007 -0.0002 0.0000 0.0000 -0.7507 0.0003 0.0010 -0.0003 0.4210 -0.0129 -0.0033 0.0003 -0.1034 -0.0047 -0.0014 -0.0001 0.0145 0.0070 0.0005 -0.0158 0.0024 0.0003 0.0000 0.0023 0.0003 -0.0242 0.0003 -0.0003 0.0169 0.0013 0.0003 0.0120 0.0015 0.0033 0.0000 -0.0024 0.0007 0.0020 0.0003 -0.0077 0.0006 0.0020 -0.0019 0.0060 0.0012 -0.0045 0.0046 -0.0034 0.0035 -0.0060 -0.0011 0.0010 0.0051 0.0086 ( 61.16%) -0.7820* H 19 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0023 0.0001 0.0000 -0.0321 0.0011 -0.0028 0.0112 -0.0044 0.0013 -0.0064 -0.0014 -0.0002 0.0064 0.0025 -0.0014 -0.0004 0.0001 0.0004 -0.0028 -0.0012 0.0045 0.0015 -0.0022 -0.0046 0.0027 0.0005 -0.0013 -0.0004 -0.0076 99. (0.00250) BD*( 1) C 8- H 20 ( 37.69%) 0.6139* C 8 s( 24.06%)p 3.15( 75.75%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4905 -0.0078 -0.0013 0.0000 0.0000 0.0000 0.6362 -0.0017 -0.0031 -0.0003 0.4659 -0.0105 -0.0016 -0.0001 -0.3681 -0.0056 0.0002 -0.0001 -0.0150 -0.0058 -0.0002 0.0296 -0.0014 -0.0002 0.0089 0.0031 0.0006 -0.0138 0.0005 -0.0004 -0.0003 0.0037 -0.0001 0.0096 0.0009 0.0073 0.0010 -0.0054 0.0011 0.0042 -0.0001 0.0024 -0.0005 -0.0020 0.0019 0.0081 0.0011 0.0034 -0.0055 -0.0061 -0.0020 -0.0013 -0.0024 0.0063 0.0066 -0.0050 ( 62.31%) -0.7894* H 20 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0011 0.0000 0.0000 0.0229 -0.0037 0.0018 0.0159 -0.0021 0.0014 -0.0186 -0.0006 -0.0013 -0.0062 -0.0024 0.0039 0.0016 0.0023 0.0015 -0.0008 -0.0006 0.0016 0.0008 -0.0046 0.0004 0.0006 0.0013 0.0057 0.0018 -0.0056 100. (0.00258) BD*( 1) C 8- H 21 ( 38.02%) 0.6166* C 8 s( 24.20%)p 3.12( 75.61%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4919 -0.0092 -0.0009 -0.0001 0.0000 0.0000 0.1667 -0.0029 -0.0009 0.0001 -0.0740 -0.0106 -0.0017 -0.0002 0.8501 -0.0067 -0.0038 -0.0001 0.0047 -0.0014 0.0000 -0.0108 -0.0021 0.0001 0.0198 -0.0037 0.0002 0.0070 -0.0038 -0.0003 -0.0276 -0.0056 -0.0005 0.0068 0.0004 0.0031 0.0001 0.0009 -0.0022 -0.0003 0.0010 -0.0031 -0.0010 -0.0016 0.0003 0.0145 0.0008 -0.0107 -0.0076 0.0030 -0.0009 0.0025 0.0002 -0.0030 0.0007 -0.0010 ( 61.98%) -0.7873* H 21 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0011 -0.0001 0.0000 0.0029 -0.0022 0.0000 -0.0079 -0.0029 -0.0004 0.0337 -0.0035 0.0030 -0.0004 0.0001 -0.0027 -0.0010 0.0005 0.0003 0.0013 -0.0002 -0.0073 -0.0031 -0.0083 -0.0044 0.0014 -0.0009 0.0007 -0.0001 -0.0007 101. (0.03134) BD*( 1) C 9- P 10 ( 37.50%) 0.6124* C 9 s( 27.22%)p 2.66( 72.42%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5214 0.0190 0.0029 0.0004 0.0001 0.0000 0.6542 0.0149 0.0066 0.0001 0.3675 0.0053 0.0029 0.0005 -0.4009 -0.0088 -0.0041 -0.0002 -0.0305 0.0003 0.0003 0.0346 -0.0001 -0.0006 0.0175 0.0006 -0.0003 -0.0192 -0.0003 0.0005 0.0077 0.0005 -0.0003 0.0122 -0.0005 0.0082 0.0009 -0.0057 -0.0010 0.0006 0.0022 -0.0094 0.0019 0.0051 0.0008 0.0134 -0.0011 0.0040 -0.0042 -0.0042 -0.0020 -0.0020 -0.0006 0.0076 0.0022 -0.0060 ( 62.50%) -0.7906* P 10 s( 21.41%)p 3.63( 77.78%)d 0.04( 0.79%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4620 -0.0265 0.0006 -0.0001 0.0001 0.0000 0.0000 0.0000 -0.6456 0.0113 0.0008 -0.0016 -0.0001 0.0000 -0.4158 0.0227 0.0005 -0.0019 0.0002 0.0000 0.4326 -0.0167 0.0009 0.0014 -0.0001 0.0467 -0.0093 -0.0037 -0.0001 -0.0570 0.0004 0.0043 0.0002 -0.0275 -0.0020 0.0025 0.0002 0.0361 -0.0034 -0.0025 -0.0002 -0.0152 -0.0009 0.0010 0.0002 -0.0039 -0.0032 -0.0048 -0.0012 0.0040 0.0004 -0.0064 0.0015 -0.0039 0.0035 -0.0036 -0.0011 0.0008 -0.0032 0.0029 -0.0007 -0.0019 -0.0015 -0.0001 -0.0020 0.0036 0.0014 -0.0034 102. (0.00481) BD*( 1) C 9- H 22 ( 38.61%) 0.6213* C 9 s( 24.72%)p 3.04( 75.10%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4971 -0.0085 -0.0007 -0.0002 -0.0002 0.0000 -0.6917 0.0095 0.0037 0.0002 0.5219 0.0049 -0.0007 0.0000 -0.0048 -0.0068 -0.0005 0.0002 0.0283 0.0041 0.0005 -0.0034 0.0002 0.0000 0.0094 -0.0038 -0.0002 0.0040 -0.0049 -0.0004 0.0190 0.0013 0.0002 0.0106 0.0015 0.0047 0.0000 -0.0026 -0.0006 0.0049 -0.0009 -0.0084 -0.0001 0.0004 0.0019 0.0053 0.0006 -0.0058 0.0019 -0.0007 0.0022 -0.0072 0.0003 -0.0024 0.0082 0.0054 ( 61.39%) -0.7835* H 22 s( 99.86%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0026 0.0000 0.0000 -0.0247 0.0039 -0.0022 0.0247 0.0006 0.0019 -0.0037 -0.0018 -0.0003 0.0064 0.0026 0.0007 0.0001 0.0004 -0.0001 -0.0027 -0.0010 0.0045 0.0015 -0.0006 -0.0047 0.0034 -0.0002 0.0008 -0.0022 -0.0072 103. (0.00244) BD*( 1) C 9- H 23 ( 38.21%) 0.6181* C 9 s( 24.15%)p 3.13( 75.67%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4914 -0.0087 -0.0013 0.0001 0.0001 0.0000 0.2138 0.0083 -0.0014 -0.0003 -0.1772 0.0040 0.0019 0.0006 0.8242 -0.0077 -0.0023 0.0001 0.0001 0.0022 0.0001 -0.0259 0.0018 -0.0002 0.0071 0.0033 -0.0002 -0.0075 0.0027 0.0003 -0.0225 -0.0059 -0.0004 0.0056 0.0001 0.0011 0.0019 -0.0041 0.0010 0.0021 0.0005 -0.0045 -0.0015 0.0059 0.0001 0.0125 0.0006 -0.0073 -0.0075 0.0070 -0.0017 0.0051 -0.0008 -0.0020 -0.0012 0.0005 ( 61.79%) -0.7861* H 23 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0008 -0.0002 0.0000 0.0102 0.0002 0.0005 -0.0053 0.0012 -0.0005 0.0318 -0.0034 0.0028 -0.0005 0.0004 -0.0030 -0.0012 0.0031 0.0011 0.0003 0.0001 -0.0067 -0.0029 -0.0068 -0.0046 0.0042 -0.0002 0.0022 -0.0001 -0.0004 104. (0.00268) BD*( 1) C 9- H 24 ( 38.77%) 0.6227* C 9 s( 23.76%)p 3.20( 76.06%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4873 -0.0086 -0.0007 -0.0001 0.0000 0.0000 -0.2109 0.0107 0.0001 -0.0001 -0.7474 0.0084 0.0023 0.0001 -0.3965 -0.0034 -0.0001 -0.0004 -0.0035 -0.0037 -0.0002 0.0021 -0.0045 -0.0004 -0.0303 -0.0009 -0.0001 0.0190 0.0038 0.0003 -0.0033 0.0046 -0.0002 0.0069 0.0008 0.0099 -0.0005 -0.0051 -0.0014 -0.0036 0.0004 -0.0040 -0.0007 0.0038 -0.0013 0.0071 0.0014 0.0037 0.0039 0.0062 0.0036 0.0001 0.0062 0.0045 -0.0045 0.0063 ( 61.23%) -0.7825* H 24 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0010 -0.0002 0.0000 -0.0053 0.0026 -0.0009 -0.0271 0.0030 -0.0025 -0.0190 0.0000 -0.0017 -0.0043 -0.0013 -0.0009 -0.0008 -0.0049 -0.0021 0.0050 0.0019 0.0013 0.0007 -0.0045 -0.0004 0.0000 -0.0050 0.0036 -0.0038 -0.0038 105. (0.00794) BD*( 1) C 11- C 12 ( 50.34%) 0.7095* C 11 s( 32.31%)p 2.09( 67.48%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5685 0.0002 0.0010 0.0001 0.0002 0.0000 0.4543 0.0184 0.0064 0.0015 0.0451 -0.0107 -0.0084 0.0004 0.6815 -0.0364 -0.0007 0.0023 -0.0153 0.0036 0.0003 0.0215 0.0117 0.0008 -0.0092 -0.0007 0.0005 0.0209 0.0050 -0.0023 -0.0013 0.0084 0.0006 0.0022 -0.0007 0.0145 0.0016 0.0015 -0.0004 0.0112 0.0017 -0.0081 0.0001 0.0058 0.0003 -0.0015 0.0003 -0.0059 0.0071 -0.0005 0.0076 -0.0005 -0.0012 -0.0012 0.0011 -0.0007 ( 49.66%) -0.7047* C 12 s( 32.67%)p 2.05( 67.12%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5716 0.0009 0.0009 0.0000 -0.0002 0.0000 -0.5797 0.0349 0.0016 -0.0020 0.2396 -0.0122 -0.0073 0.0012 -0.5255 -0.0138 -0.0049 -0.0023 0.0026 -0.0032 -0.0004 0.0186 0.0111 0.0013 0.0040 -0.0065 0.0000 0.0106 0.0057 -0.0006 0.0276 0.0007 -0.0017 0.0006 0.0003 -0.0125 -0.0021 0.0023 0.0008 -0.0127 -0.0005 0.0017 0.0010 -0.0032 -0.0004 0.0085 -0.0001 -0.0064 0.0003 0.0011 0.0090 -0.0022 0.0004 -0.0036 0.0003 0.0004 106. (0.00788) BD*( 1) C 11- C 15 ( 50.27%) 0.7090* C 11 s( 32.49%)p 2.07( 67.30%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5700 0.0000 0.0010 0.0001 0.0003 0.0000 0.3545 0.0232 0.0063 0.0012 0.1575 -0.0164 -0.0084 0.0009 -0.7216 0.0314 -0.0016 -0.0026 -0.0103 0.0050 0.0004 -0.0259 -0.0092 -0.0003 0.0070 -0.0032 -0.0003 0.0187 0.0033 -0.0024 0.0069 0.0106 0.0005 -0.0065 0.0000 0.0167 0.0020 0.0045 -0.0001 -0.0078 -0.0014 0.0036 -0.0008 0.0052 0.0000 0.0015 0.0005 -0.0015 -0.0105 0.0001 0.0046 0.0021 0.0026 -0.0006 0.0016 -0.0011 ( 49.73%) -0.7052* C 15 s( 32.75%)p 2.05( 67.05%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5723 0.0008 0.0010 0.0000 -0.0002 0.0000 -0.4977 0.0364 0.0023 -0.0017 0.1415 -0.0145 -0.0080 0.0008 0.6333 0.0068 0.0035 0.0028 0.0037 -0.0004 -0.0001 -0.0123 -0.0116 -0.0016 -0.0141 0.0051 0.0005 0.0065 0.0053 -0.0008 0.0288 0.0054 -0.0012 0.0044 0.0008 -0.0147 -0.0023 -0.0017 0.0007 0.0116 0.0003 0.0012 -0.0001 -0.0011 -0.0004 0.0060 -0.0003 -0.0053 -0.0066 -0.0004 0.0083 -0.0018 0.0013 0.0001 0.0007 0.0006 107. (0.00699) BD*( 1) C 11- H 25 ( 36.83%) 0.6069* C 11 s( 32.30%)p 2.09( 67.60%)d 0.00( 0.03%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5683 -0.0054 0.0012 0.0001 0.0003 0.0001 0.8159 0.0099 0.0073 -0.0047 -0.0768 0.0029 0.0019 0.0002 -0.0648 -0.0003 -0.0004 0.0003 -0.0042 0.0014 0.0000 0.0003 0.0019 0.0001 0.0011 0.0000 -0.0003 -0.0104 -0.0122 0.0014 0.0001 0.0068 0.0014 0.0022 0.0003 -0.0116 -0.0016 0.0004 -0.0001 -0.0038 -0.0003 0.0004 0.0001 0.0186 0.0014 -0.0085 0.0000 -0.0065 -0.0025 0.0009 0.0055 -0.0007 0.0011 -0.0005 -0.0044 0.0008 ( 63.17%) -0.7948* H 25 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0023 -0.0002 -0.0002 0.0295 -0.0092 0.0007 -0.0022 0.0005 0.0000 -0.0021 0.0007 0.0000 0.0025 0.0006 0.0018 0.0004 -0.0005 0.0000 -0.0097 -0.0026 0.0073 0.0013 -0.0009 0.0048 -0.0002 0.0012 0.0000 -0.0070 0.0009 108. (0.01097) BD*( 1) C 12- C 13 ( 50.10%) 0.7078* C 12 s( 31.51%)p 2.17( 68.28%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5613 0.0042 0.0010 -0.0001 -0.0003 0.0000 0.7872 -0.0265 -0.0012 0.0024 0.1698 -0.0035 -0.0093 0.0010 -0.1810 -0.0265 -0.0059 -0.0008 -0.0109 0.0033 0.0007 -0.0252 -0.0052 0.0004 0.0035 -0.0035 0.0004 0.0209 0.0112 -0.0002 0.0075 -0.0069 -0.0020 0.0072 0.0016 -0.0033 -0.0002 0.0048 0.0000 -0.0103 -0.0014 0.0057 -0.0008 0.0146 0.0013 0.0016 0.0003 0.0038 0.0087 -0.0009 -0.0017 -0.0029 -0.0054 -0.0003 0.0030 0.0003 ( 49.90%) -0.7064* C 13 s( 30.93%)p 2.23( 68.86%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5561 0.0045 0.0012 0.0002 -0.0001 0.0000 -0.6881 0.0002 -0.0040 -0.0022 0.2138 -0.0052 -0.0080 0.0014 0.4097 -0.0378 -0.0040 0.0018 0.0065 -0.0061 -0.0002 -0.0035 -0.0112 -0.0014 -0.0042 0.0011 0.0006 0.0333 0.0068 -0.0014 -0.0117 -0.0020 -0.0003 -0.0065 -0.0007 0.0023 0.0010 0.0083 -0.0006 0.0117 0.0016 0.0009 -0.0003 -0.0126 -0.0011 0.0027 0.0010 -0.0026 0.0091 -0.0025 0.0032 -0.0015 -0.0039 0.0019 0.0025 -0.0004 109. (0.00772) BD*( 1) C 12- H 26 ( 37.22%) 0.6101* C 12 s( 30.95%)p 2.23( 68.95%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5563 -0.0035 0.0012 -0.0002 -0.0003 0.0000 0.2010 0.0029 0.0017 -0.0012 0.0501 0.0056 0.0037 -0.0006 -0.8040 -0.0093 -0.0079 0.0041 -0.0020 -0.0003 -0.0003 0.0026 0.0060 0.0002 0.0108 0.0017 -0.0004 -0.0039 -0.0010 0.0018 -0.0058 -0.0139 0.0006 -0.0192 -0.0017 0.0111 0.0013 0.0008 0.0007 -0.0056 0.0002 0.0003 -0.0004 0.0011 -0.0002 -0.0016 -0.0001 -0.0058 0.0079 0.0014 0.0014 -0.0016 -0.0020 0.0006 -0.0014 0.0005 ( 62.78%) -0.7923* H 26 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0024 -0.0002 -0.0001 0.0087 -0.0010 0.0005 0.0031 -0.0006 0.0002 -0.0298 0.0047 -0.0008 -0.0005 0.0000 0.0054 0.0011 0.0007 0.0003 0.0004 -0.0003 -0.0119 -0.0026 0.0068 -0.0047 -0.0023 0.0012 0.0009 -0.0001 -0.0001 110. (0.01647) BD*( 1) C 13- C 14 ( 49.97%) 0.7069* C 13 s( 28.96%)p 2.45( 70.82%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5381 -0.0064 -0.0015 -0.0001 0.0001 0.0000 -0.0669 0.0324 0.0055 -0.0003 -0.3098 0.0058 0.0083 -0.0016 0.7786 -0.0181 0.0029 0.0025 0.0033 0.0013 -0.0005 -0.0180 0.0027 0.0013 -0.0037 0.0070 0.0005 -0.0136 0.0032 0.0013 -0.0302 -0.0109 -0.0003 0.0174 0.0020 0.0031 0.0007 -0.0030 -0.0014 0.0018 -0.0003 0.0026 -0.0006 0.0004 -0.0006 -0.0088 0.0001 -0.0090 0.0005 0.0034 0.0053 -0.0012 -0.0012 -0.0027 -0.0027 0.0012 ( 50.03%) -0.7073* C 14 s( 29.00%)p 2.44( 70.78%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5384 -0.0067 -0.0017 0.0000 0.0001 0.0000 -0.1810 0.0347 0.0057 -0.0005 -0.1803 0.0036 0.0089 -0.0010 -0.8007 0.0145 -0.0018 -0.0028 0.0020 0.0013 -0.0004 0.0124 -0.0055 -0.0016 0.0147 -0.0041 -0.0006 -0.0099 0.0015 0.0009 -0.0311 -0.0122 -0.0002 -0.0172 -0.0025 -0.0031 -0.0001 0.0053 -0.0006 -0.0034 0.0003 -0.0007 0.0004 -0.0004 -0.0005 -0.0085 0.0001 -0.0082 -0.0065 0.0003 0.0036 -0.0016 0.0027 0.0011 -0.0019 0.0012 111. (0.00889) BD*( 1) C 13- H 27 ( 37.68%) 0.6138* C 13 s( 31.11%)p 2.21( 68.79%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5578 -0.0046 0.0015 0.0002 0.0001 0.0000 -0.7043 -0.0090 -0.0060 0.0038 0.0223 0.0081 0.0034 -0.0006 -0.4371 -0.0023 -0.0047 0.0024 0.0073 0.0009 -0.0003 -0.0031 -0.0123 -0.0003 0.0048 0.0004 -0.0003 -0.0070 -0.0093 0.0013 -0.0005 0.0010 0.0011 0.0076 0.0011 -0.0050 -0.0005 -0.0022 0.0001 -0.0167 -0.0017 0.0007 0.0004 -0.0130 -0.0008 -0.0019 0.0003 0.0037 0.0061 0.0000 -0.0046 0.0001 -0.0042 0.0009 -0.0018 0.0008 ( 62.32%) -0.7894* H 27 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0030 0.0000 -0.0002 -0.0267 0.0034 -0.0014 0.0031 0.0013 0.0003 -0.0140 0.0036 -0.0003 0.0001 0.0000 -0.0100 -0.0023 0.0000 0.0000 -0.0073 -0.0020 0.0015 0.0000 -0.0034 0.0016 -0.0001 0.0063 -0.0013 0.0044 -0.0011 112. (0.01059) BD*( 1) C 14- C 15 ( 49.91%) 0.7065* C 14 s( 31.17%)p 2.20( 68.63%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5582 -0.0040 -0.0012 -0.0002 0.0002 0.0000 0.7382 -0.0058 0.0033 0.0028 -0.2618 0.0113 0.0088 -0.0015 0.2669 -0.0364 -0.0033 0.0013 -0.0074 0.0075 0.0005 0.0032 -0.0081 -0.0014 -0.0009 0.0003 0.0001 -0.0334 -0.0088 0.0012 0.0111 0.0049 0.0007 -0.0080 -0.0001 -0.0070 -0.0015 -0.0072 0.0004 0.0055 0.0011 -0.0020 0.0002 0.0140 0.0013 -0.0044 -0.0012 -0.0030 0.0094 -0.0018 0.0007 -0.0020 -0.0036 0.0025 -0.0028 0.0018 ( 50.09%) -0.7078* C 15 s( 31.62%)p 2.16( 68.17%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5623 -0.0034 -0.0011 0.0000 0.0003 0.0000 -0.8069 0.0221 0.0002 -0.0026 -0.1417 0.0084 0.0099 -0.0008 -0.0948 -0.0292 -0.0044 -0.0006 0.0151 -0.0030 -0.0007 -0.0210 -0.0025 0.0007 0.0063 -0.0031 -0.0001 -0.0229 -0.0125 0.0003 -0.0002 0.0067 0.0019 0.0029 0.0014 0.0087 0.0008 -0.0056 -0.0001 -0.0077 -0.0011 0.0058 -0.0006 -0.0150 -0.0016 0.0012 -0.0001 -0.0075 0.0059 0.0002 0.0050 0.0014 -0.0031 0.0000 -0.0039 0.0007 113. (0.00842) BD*( 1) C 14- H 29 ( 37.51%) 0.6124* C 14 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5595 -0.0041 0.0015 0.0002 0.0000 0.0000 -0.6334 -0.0083 -0.0065 0.0032 -0.0510 0.0070 0.0033 0.0000 0.5309 0.0046 0.0073 -0.0030 0.0061 -0.0008 -0.0004 0.0049 0.0133 0.0002 -0.0045 0.0009 -0.0002 -0.0061 -0.0081 0.0015 -0.0025 -0.0025 0.0011 -0.0059 -0.0008 -0.0108 -0.0013 -0.0040 0.0002 0.0157 0.0016 0.0036 -0.0002 -0.0099 -0.0006 -0.0047 0.0000 0.0055 -0.0020 -0.0005 -0.0070 0.0004 0.0031 0.0011 -0.0010 -0.0001 ( 62.49%) -0.7905* H 29 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0025 0.0001 -0.0002 -0.0235 0.0022 -0.0012 -0.0007 0.0007 0.0001 0.0183 -0.0031 0.0006 -0.0015 -0.0002 0.0114 0.0026 0.0008 0.0003 -0.0062 -0.0018 -0.0011 -0.0006 0.0023 0.0044 0.0002 -0.0065 -0.0001 0.0034 0.0001 114. (0.00783) BD*( 1) C 15- H 28 ( 37.21%) 0.6100* C 15 s( 31.01%)p 2.22( 68.88%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5569 -0.0037 0.0013 -0.0001 -0.0003 0.0001 0.3116 0.0044 0.0028 -0.0018 -0.0769 0.0042 0.0026 0.0001 0.7652 0.0100 0.0081 -0.0040 -0.0026 0.0009 -0.0002 -0.0039 -0.0090 -0.0003 -0.0076 0.0022 0.0000 -0.0056 -0.0023 0.0018 -0.0075 -0.0121 0.0007 0.0133 0.0013 0.0149 0.0019 -0.0069 0.0000 0.0069 0.0003 -0.0042 0.0001 0.0017 -0.0001 -0.0032 -0.0001 -0.0017 -0.0098 0.0008 -0.0021 0.0010 0.0021 -0.0003 -0.0011 -0.0001 ( 62.79%) -0.7924* H 28 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0025 -0.0001 -0.0001 0.0127 -0.0018 0.0006 -0.0012 0.0005 0.0000 0.0282 -0.0050 0.0008 0.0006 0.0002 -0.0080 -0.0016 0.0023 0.0005 -0.0003 -0.0005 -0.0098 -0.0023 -0.0052 -0.0065 0.0007 -0.0026 0.0004 -0.0006 0.0002 115. (0.33936) 3Cn( 1)Tc 1- C 12- C 13 ( 55.55%) 0.7454*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 0.3991 0.0093 -0.0125 0.0035 -0.0017 -0.0002 0.0000 -0.0011 0.0053 -0.0020 0.0034 0.0000 0.0103 0.0237 -0.0042 0.0005 0.0000 0.0121 -0.0007 -0.0057 0.0034 0.4065 -0.0103 -0.0056 -0.0052 0.1896 -0.0003 0.0001 -0.0006 0.7138 0.0107 0.0037 -0.0059 -0.0565 -0.0124 -0.0084 0.0065 -0.3505 0.0172 -0.0026 0.0072 -0.0040 -0.0094 -0.0032 -0.0006 0.0149 -0.0050 0.0026 -0.0008 -0.0211 0.0004 0.0038 -0.0016 -0.0093 -0.0089 -0.0029 -0.0003 -0.0037 -0.0035 0.0033 -0.0002 -0.0069 -0.0104 -0.0031 0.0010 -0.0233 -0.0070 0.0031 -0.0012 0.0011 -0.0015 0.0012 -0.0008 0.0007 -0.0011 0.0007 -0.0004 0.0036 -0.0012 -0.0055 0.0002 -0.0024 -0.0010 -0.0016 -0.0006 -0.0053 -0.0009 ( 44.43%) 0.6666* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2139 0.0259 -0.0001 0.0008 0.0000 0.0000 -0.0048 -0.0059 -0.0044 -0.0027 0.9519 0.0162 -0.0063 0.0001 0.2052 0.0309 -0.0029 0.0021 0.0150 0.0129 0.0002 0.0040 0.0000 0.0012 -0.0479 0.0022 -0.0001 0.0132 -0.0029 0.0007 -0.0008 -0.0032 0.0012 -0.0056 0.0004 0.0068 0.0004 0.0231 -0.0003 0.0015 0.0019 -0.0094 -0.0009 0.0023 0.0002 0.0132 0.0026 0.0030 -0.0038 0.0068 -0.0011 -0.0064 -0.0024 -0.0051 -0.0022 0.0027 ( 0.01%) 0.0116* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 116. (0.34635) 3Cn( 1)Tc 1- C 14- C 15 ( 57.00%) 0.7550*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 0.3891 0.0113 -0.0114 0.0030 -0.0012 -0.0002 0.0000 -0.0020 0.0051 -0.0018 0.0027 0.0000 0.0108 0.0230 -0.0051 0.0010 0.0000 -0.0121 0.0044 0.0056 -0.0028 0.3871 -0.0106 -0.0052 -0.0049 -0.1674 -0.0023 -0.0033 0.0004 -0.6438 -0.0086 -0.0017 0.0033 -0.1588 -0.0146 -0.0075 0.0073 -0.4765 0.0131 -0.0034 0.0081 -0.0048 0.0092 0.0035 0.0003 0.0151 -0.0030 0.0024 -0.0007 -0.0221 -0.0063 0.0017 -0.0017 0.0012 0.0079 0.0052 -0.0005 0.0037 0.0085 -0.0037 -0.0001 -0.0065 -0.0074 -0.0037 0.0010 -0.0250 -0.0080 0.0021 -0.0011 0.0003 -0.0009 -0.0005 -0.0002 -0.0020 0.0018 0.0005 0.0005 0.0012 -0.0011 0.0063 -0.0008 0.0033 0.0012 -0.0007 -0.0004 -0.0061 -0.0006 ( 0.01%) 0.0109* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2868 0.0231 0.0018 -0.0005 -0.0007 0.0000 0.1348 0.0330 -0.0011 0.0022 0.9439 0.0088 -0.0080 -0.0014 -0.0495 -0.0239 0.0032 -0.0001 -0.0409 -0.0070 0.0001 0.0039 -0.0009 -0.0007 0.0274 -0.0075 -0.0011 0.0075 -0.0019 0.0001 0.0110 -0.0030 0.0011 -0.0004 -0.0017 -0.0079 -0.0005 0.0111 -0.0002 0.0133 0.0001 -0.0133 0.0011 -0.0049 0.0015 0.0192 0.0016 -0.0021 0.0014 0.0060 0.0008 0.0064 -0.0021 -0.0075 -0.0031 0.0006 ( 42.99%) 0.6557* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2079 0.0251 0.0003 0.0007 0.0000 0.0000 -0.0201 -0.0096 -0.0040 -0.0029 0.9739 0.0219 -0.0069 0.0003 -0.0443 -0.0266 0.0024 -0.0016 0.0213 0.0129 0.0004 -0.0017 0.0018 -0.0010 0.0414 -0.0027 -0.0003 0.0199 -0.0031 0.0004 0.0123 -0.0040 0.0015 0.0104 -0.0006 0.0110 0.0007 0.0172 0.0002 0.0080 -0.0012 0.0084 0.0002 0.0045 0.0000 0.0141 0.0031 -0.0013 0.0014 -0.0040 -0.0014 -0.0108 0.0004 0.0029 -0.0008 0.0032 117. (0.19577) 3C*( 1)Tc 1- C 12- C 13 ( 20.04%) 0.4477*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 -0.3991 -0.0093 0.0125 -0.0035 0.0017 0.0002 0.0000 0.0011 -0.0053 0.0020 -0.0034 0.0000 -0.0103 -0.0237 0.0042 -0.0005 0.0000 -0.0121 0.0007 0.0057 -0.0034 -0.4065 0.0103 0.0056 0.0052 -0.1896 0.0003 -0.0001 0.0006 -0.7138 -0.0107 -0.0037 0.0059 0.0565 0.0124 0.0084 -0.0065 0.3505 -0.0172 0.0026 -0.0072 0.0040 0.0094 0.0032 0.0006 -0.0149 0.0050 -0.0026 0.0008 0.0211 -0.0004 -0.0038 0.0016 0.0093 0.0089 0.0029 0.0003 0.0037 0.0035 -0.0033 0.0002 0.0069 0.0104 0.0031 -0.0010 0.0233 0.0070 -0.0031 0.0012 -0.0011 0.0015 -0.0012 0.0008 -0.0007 0.0011 -0.0007 0.0004 -0.0036 0.0012 0.0055 -0.0002 0.0024 0.0010 0.0016 0.0006 0.0053 0.0009 ( 23.77%) -0.4875* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2139 -0.0259 0.0001 -0.0008 0.0000 0.0000 0.0048 0.0059 0.0044 0.0027 -0.9519 -0.0162 0.0063 -0.0001 -0.2052 -0.0309 0.0029 -0.0021 -0.0150 -0.0129 -0.0002 -0.0040 0.0000 -0.0012 0.0479 -0.0022 0.0001 -0.0132 0.0029 -0.0007 0.0008 0.0032 -0.0012 0.0056 -0.0004 -0.0068 -0.0004 -0.0231 0.0003 -0.0015 -0.0019 0.0094 0.0009 -0.0023 -0.0002 -0.0132 -0.0026 -0.0030 0.0038 -0.0068 0.0011 0.0064 0.0024 0.0051 0.0022 -0.0027 ( 56.19%) 0.7496* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 118. (0.19693) 3C*( 1)Tc 1- C 14- C 15 ( 18.37%) 0.4286*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 -0.3891 -0.0113 0.0114 -0.0030 0.0012 0.0002 0.0000 0.0020 -0.0051 0.0018 -0.0027 0.0000 -0.0108 -0.0230 0.0051 -0.0010 0.0000 0.0121 -0.0044 -0.0056 0.0028 -0.3871 0.0106 0.0052 0.0049 0.1674 0.0023 0.0033 -0.0004 0.6438 0.0086 0.0017 -0.0033 0.1588 0.0146 0.0075 -0.0073 0.4765 -0.0131 0.0034 -0.0081 0.0048 -0.0092 -0.0035 -0.0003 -0.0151 0.0030 -0.0024 0.0007 0.0221 0.0063 -0.0017 0.0017 -0.0012 -0.0079 -0.0052 0.0005 -0.0037 -0.0085 0.0037 0.0001 0.0065 0.0074 0.0037 -0.0010 0.0250 0.0080 -0.0021 0.0011 -0.0003 0.0009 0.0005 0.0002 0.0020 -0.0018 -0.0005 -0.0005 -0.0012 0.0011 -0.0063 0.0008 -0.0033 -0.0012 0.0007 0.0004 0.0061 0.0006 ( 56.04%) -0.7486* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2868 0.0231 0.0018 -0.0005 -0.0007 0.0000 0.1348 0.0330 -0.0011 0.0022 0.9439 0.0088 -0.0080 -0.0014 -0.0495 -0.0239 0.0032 -0.0001 -0.0409 -0.0070 0.0001 0.0039 -0.0009 -0.0007 0.0274 -0.0075 -0.0011 0.0075 -0.0019 0.0001 0.0110 -0.0030 0.0011 -0.0004 -0.0017 -0.0079 -0.0005 0.0111 -0.0002 0.0133 0.0001 -0.0133 0.0011 -0.0049 0.0015 0.0192 0.0016 -0.0021 0.0014 0.0060 0.0008 0.0064 -0.0021 -0.0075 -0.0031 0.0006 ( 25.59%) 0.5059* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2079 0.0251 0.0003 0.0007 0.0000 0.0000 -0.0201 -0.0096 -0.0040 -0.0029 0.9739 0.0219 -0.0069 0.0003 -0.0443 -0.0266 0.0024 -0.0016 0.0213 0.0129 0.0004 -0.0017 0.0018 -0.0010 0.0414 -0.0027 -0.0003 0.0199 -0.0031 0.0004 0.0123 -0.0040 0.0015 0.0104 -0.0006 0.0110 0.0007 0.0172 0.0002 0.0080 -0.0012 0.0084 0.0002 0.0045 0.0000 0.0141 0.0031 -0.0013 0.0014 -0.0040 -0.0014 -0.0108 0.0004 0.0029 -0.0008 0.0032 119. (0.00790) RY ( 1)Tc 1 s( 9.87%)p 4.35( 42.99%)d 3.51( 34.65%) f 1.22( 12.01%)g 0.05( 0.48%) 0.0000 -0.0259 0.3023 0.0800 0.0145 -0.0082 0.0009 0.0000 0.6080 -0.0128 0.0048 0.0349 0.0000 0.2199 0.0955 0.0273 0.0149 0.0000 -0.0155 0.0084 0.0009 0.0006 0.0040 -0.4086 0.0429 -0.0159 0.0035 -0.0277 -0.0075 -0.0009 -0.0061 -0.0099 0.0061 -0.0044 0.0166 -0.1724 0.0716 0.0181 0.0407 0.3711 -0.0322 0.0234 -0.0323 0.0121 0.0015 -0.0007 0.2428 -0.0160 -0.0118 0.0006 -0.2099 0.0678 -0.0038 -0.0048 -0.0299 0.0071 0.0005 -0.0013 -0.0401 0.0113 0.0021 -0.0013 0.0292 -0.0423 -0.0433 0.0101 -0.0274 -0.0531 -0.0045 -0.0003 0.0595 -0.0047 -0.0017 -0.0020 -0.0123 -0.0002 -0.0044 0.0092 -0.0280 -0.0025 -0.0043 -0.0009 0.0009 -0.0012 -0.0113 -0.0054 0.0008 -0.0066 120. (0.00367) RY ( 2)Tc 1 s( 20.28%)p 0.32( 6.39%)d 1.99( 40.43%) f 1.57( 31.75%)g 0.06( 1.15%) 0.0000 -0.0345 0.4047 -0.1939 0.0098 0.0143 -0.0030 0.0000 -0.0436 -0.0968 0.0294 -0.0027 0.0000 0.1794 0.0371 0.0142 -0.0047 0.0000 -0.1290 -0.0308 0.0195 0.0016 -0.0083 -0.1261 0.0022 0.0218 -0.0008 0.0322 -0.0565 -0.0037 0.0029 0.0485 0.0375 0.0089 0.0252 0.3969 0.0272 0.0019 -0.0211 -0.4688 -0.0252 0.0003 -0.0826 -0.0023 0.0071 0.0018 -0.1610 -0.0580 -0.0152 0.0034 -0.4306 0.0355 -0.0302 0.0057 -0.1822 0.0453 -0.0009 -0.0030 -0.0534 0.0080 -0.0108 0.0001 -0.1561 0.0141 -0.0032 -0.0033 -0.1703 -0.0316 -0.0221 -0.0068 -0.0434 -0.0076 0.0250 0.0003 0.0237 0.0069 -0.0222 -0.0008 0.0837 0.0016 -0.0007 -0.0006 0.0162 -0.0018 -0.0224 0.0036 -0.0020 0.0014 121. (0.00355) RY ( 3)Tc 1 s( 1.01%)p43.39( 43.73%)d10.46( 10.54%) f43.18( 43.51%)g 1.20( 1.21%) 0.0000 -0.0060 0.0856 -0.0520 -0.0021 -0.0010 -0.0010 0.0000 0.0292 -0.0224 0.0116 0.0008 0.0000 0.0164 -0.0083 0.0103 -0.0011 0.0000 0.6352 0.1657 -0.0661 -0.0076 -0.0053 0.0027 -0.0188 0.0016 -0.0050 -0.1656 0.1722 0.0228 -0.0046 -0.0531 -0.1293 -0.0466 0.0019 0.1417 -0.0066 -0.0013 -0.0062 -0.0661 -0.0337 -0.0070 0.0063 0.0481 -0.0572 -0.0059 -0.0028 0.0017 -0.0056 0.0008 -0.1887 0.0274 0.0054 0.0006 0.4862 -0.2092 -0.0030 0.0139 0.3239 0.0179 0.0455 -0.0017 0.0168 -0.0047 -0.0022 0.0002 -0.0695 0.0158 -0.0014 -0.0035 -0.0247 -0.0056 -0.0520 -0.0018 -0.0580 -0.0189 -0.0235 -0.0027 0.0177 -0.0009 0.0627 0.0033 -0.0098 0.0045 -0.0056 0.0011 -0.0086 0.0011 122. (0.00227) RY ( 4)Tc 1 s( 0.52%)p20.40( 10.55%)d99.99( 79.85%) f15.55( 8.04%)g 2.01( 1.04%) 0.0000 0.0147 -0.0033 0.0692 -0.0110 0.0054 0.0017 0.0000 0.1779 -0.0583 -0.0064 -0.0107 0.0000 0.0034 -0.1464 0.0294 -0.0007 0.0000 0.1633 0.1361 -0.0533 -0.0019 0.0040 0.0926 0.0211 0.0152 0.0113 0.8599 -0.1909 -0.0092 -0.0051 0.0192 -0.0257 -0.0111 -0.0110 0.0932 0.0117 -0.0253 -0.0122 -0.0360 -0.0041 -0.0298 0.1066 0.0483 -0.0221 -0.0039 -0.0479 -0.0101 -0.0107 -0.0002 -0.0247 0.0039 -0.0195 0.0062 0.1026 -0.0543 0.0027 0.0065 -0.1563 0.0214 0.0436 -0.0106 0.0638 -0.0037 0.0190 -0.0049 0.1320 -0.0166 0.0104 0.0002 -0.0279 -0.0001 -0.0409 -0.0011 -0.0706 -0.0105 -0.0236 -0.0007 0.0249 0.0048 0.0237 0.0090 0.0272 -0.0074 -0.0089 0.0031 0.0107 -0.0005 123. (0.00199) RY ( 5)Tc 1 s( 1.54%)p 3.33( 5.15%)d44.47( 68.70%) f15.71( 24.28%)g 0.22( 0.33%) 0.0000 0.0038 0.0996 0.0735 0.0067 0.0079 0.0003 0.0000 0.1060 -0.0804 -0.0017 -0.0014 0.0000 -0.0650 -0.1183 -0.0034 0.0004 0.0000 -0.0879 0.0723 -0.0329 0.0389 0.0088 0.0755 0.0704 0.0269 -0.0137 -0.1363 -0.0824 -0.0085 0.0109 -0.6902 -0.1336 -0.0583 -0.0018 -0.3147 0.0210 -0.0193 -0.0090 -0.2212 -0.0475 -0.0306 0.0456 -0.1807 -0.0745 -0.0003 -0.1725 0.0020 -0.0181 0.0023 -0.0535 0.0559 0.0026 0.0004 0.0666 -0.2217 -0.0788 0.0024 -0.2681 0.0999 0.0376 0.0029 -0.0881 0.0838 0.0072 -0.0031 0.0910 0.0050 0.0129 -0.0004 -0.0145 -0.0075 0.0086 0.0043 0.0198 -0.0203 -0.0107 -0.0065 0.0382 0.0023 0.0190 0.0063 -0.0039 -0.0084 0.0008 0.0027 -0.0068 0.0027 124. (0.00183) RY ( 6)Tc 1 s( 8.75%)p 3.27( 28.63%)d 5.74( 50.22%) f 1.31( 11.45%)g 0.11( 0.94%) 0.0000 -0.0396 0.2335 -0.1716 0.0445 -0.0007 -0.0024 0.0000 -0.3499 0.0862 0.0305 0.0522 0.0000 -0.0712 0.3327 -0.0834 0.0369 0.0000 0.1420 0.0848 -0.0375 0.0002 -0.0181 -0.2365 -0.0128 -0.0250 0.0028 0.2328 -0.0346 -0.0017 -0.0038 0.1057 0.0179 -0.0126 0.0048 -0.5962 -0.1048 0.0744 0.0128 -0.0079 -0.0343 0.0681 0.0294 0.0420 0.0085 -0.0065 -0.1666 -0.0003 0.0467 -0.0082 -0.0180 -0.0761 0.0554 -0.0217 -0.0274 -0.0108 0.0052 -0.0019 0.0321 -0.0158 0.0097 -0.0062 -0.1595 0.0939 -0.0089 0.0102 -0.1812 0.0359 0.0349 -0.0049 0.0283 -0.0059 -0.0312 -0.0057 -0.0495 0.0006 0.0244 -0.0131 -0.0402 -0.0238 0.0015 -0.0027 -0.0059 0.0006 0.0387 -0.0112 -0.0216 0.0058 125. (0.00174) RY ( 7)Tc 1 s( 10.83%)p 1.95( 21.09%)d 4.88( 52.84%) f 1.35( 14.61%)g 0.06( 0.63%) 0.0000 0.0104 0.1167 0.3056 0.0147 0.0317 -0.0003 0.0000 0.2283 -0.2689 -0.0040 -0.0425 0.0000 -0.2481 -0.1074 0.0239 0.0056 0.0000 0.0616 -0.0718 0.0406 -0.0177 0.0014 0.3673 0.1321 0.0572 0.0017 -0.0715 0.0852 0.0059 0.0002 0.3522 0.0771 0.0448 -0.0044 -0.3743 0.0878 0.0003 -0.0152 -0.2739 -0.0316 -0.0655 -0.0888 0.1071 0.0288 -0.0005 0.0886 -0.0016 -0.0056 0.0050 -0.1783 0.0142 -0.0925 0.0069 -0.0578 0.1027 0.0185 -0.0011 0.1075 -0.0574 -0.0467 0.0039 -0.1119 0.1640 0.0491 -0.0149 0.0542 -0.0084 -0.0337 -0.0009 -0.0435 -0.0082 0.0054 0.0036 0.0041 0.0141 0.0432 -0.0009 0.0249 0.0171 -0.0005 -0.0015 -0.0035 0.0060 0.0186 0.0064 0.0243 0.0157 126. (0.00147) RY ( 8)Tc 1 s( 9.27%)p 2.68( 24.87%)d 1.22( 11.33%) f 5.62( 52.07%)g 0.26( 2.45%) 0.0000 0.0087 0.2967 -0.0057 -0.0675 0.0049 0.0034 0.0000 0.0171 0.0087 0.0326 0.0345 0.0000 0.2869 -0.3855 -0.0492 0.0020 0.0000 0.0561 -0.0896 0.0375 -0.0122 0.0021 0.0502 0.0719 0.0418 -0.0050 -0.0696 0.0477 0.0042 0.0047 0.0823 0.0686 0.0409 -0.0166 -0.0752 -0.0158 -0.0610 -0.0254 0.2527 -0.0876 -0.0381 -0.0321 0.0315 0.0298 0.0010 -0.6280 0.0034 -0.0514 0.0017 0.1740 -0.1610 -0.0040 0.0030 -0.0332 0.0675 0.0210 -0.0002 0.1354 -0.0481 -0.0145 0.0023 0.1083 0.0375 0.0233 0.0016 0.1521 -0.0092 0.0258 0.0032 -0.0564 0.0121 0.0239 0.0016 0.0462 0.0047 -0.0926 0.0031 0.0849 0.0045 -0.0056 -0.0037 0.0151 0.0046 -0.0477 0.0040 -0.0054 -0.0069 127. (0.00106) RY ( 9)Tc 1 s( 4.50%)p 3.55( 15.98%)d10.18( 45.79%) f 7.14( 32.10%)g 0.36( 1.63%) 0.0000 0.0074 -0.1151 0.1557 0.0835 -0.0217 0.0002 0.0000 -0.0884 0.2281 -0.0317 0.0429 0.0000 -0.1539 -0.2327 0.0355 0.0179 0.0000 0.1290 -0.0072 0.0306 -0.0004 0.0332 -0.5629 -0.0364 -0.0057 -0.0003 -0.0532 0.0164 0.0039 -0.0019 0.0815 0.0068 0.0314 0.0016 -0.0677 0.0641 -0.0597 -0.0004 -0.3381 0.0133 0.0319 -0.0832 0.0955 0.0246 0.0014 0.0137 -0.0067 -0.0796 0.0015 0.0073 0.0284 0.0161 0.0107 -0.0516 0.0418 0.0055 0.0053 -0.0075 -0.0118 0.0070 -0.0025 -0.0095 -0.1012 -0.0579 0.0093 0.4980 -0.1735 -0.0064 0.0014 0.0382 0.0014 0.0053 -0.0040 -0.0214 -0.0015 -0.0785 0.0078 0.0664 -0.0018 -0.0144 -0.0064 0.0196 0.0021 -0.0128 0.0135 -0.0399 -0.0338 128. (0.00096) RY (10)Tc 1 s( 0.34%)p64.32( 21.74%)d26.93( 9.10%) f99.99( 68.04%)g 2.33( 0.79%) 0.0000 0.0015 -0.0160 0.0435 -0.0349 -0.0035 0.0008 0.0000 -0.0449 -0.0612 -0.0141 -0.0082 0.0000 0.0910 0.0189 0.0059 -0.0220 0.0000 0.4315 0.0674 0.1069 0.0079 -0.0037 0.0561 -0.0100 0.0060 -0.0121 -0.0314 -0.0693 0.0230 0.0019 -0.2277 0.0730 0.1014 0.0095 0.0627 0.0591 0.0052 0.0027 0.0682 0.0354 -0.0178 -0.5522 0.3371 0.0378 0.0005 0.0800 -0.0278 0.0056 0.0015 0.1742 -0.0779 -0.0230 -0.0011 -0.2612 0.1081 0.0168 0.0089 -0.3126 -0.0302 -0.0203 0.0035 -0.1443 0.0107 0.0027 -0.0050 -0.1089 0.0621 -0.0120 0.0036 -0.0179 0.0019 -0.0322 -0.0021 -0.0339 -0.0071 -0.0035 0.0030 -0.0031 0.0089 -0.0634 -0.0111 -0.0131 0.0109 0.0033 -0.0021 0.0268 0.0052 129. (0.00087) RY (11)Tc 1 s( 4.51%)p 6.18( 27.86%)d 2.30( 10.38%) f11.88( 53.57%)g 0.82( 3.69%) 0.0000 -0.0088 -0.0480 0.2053 -0.0217 -0.0078 0.0042 0.0000 -0.2183 0.0193 -0.0055 -0.0089 0.0000 0.1245 -0.4456 0.0704 -0.0378 0.0000 -0.0679 0.0543 -0.0496 0.0064 0.0097 -0.1705 0.0305 0.0586 0.0069 0.0539 -0.0115 -0.0022 -0.0036 0.0127 -0.0780 -0.0086 0.0179 -0.0230 0.0764 -0.1283 -0.0012 0.1432 0.0518 -0.1202 0.1427 -0.0594 -0.0458 0.0004 0.2483 -0.1557 -0.0300 0.0045 0.0024 -0.1073 -0.0620 0.0153 -0.0219 -0.0792 -0.0513 0.0049 0.1145 -0.0252 0.0287 -0.0037 -0.4981 0.1059 -0.0001 -0.0124 -0.3002 0.1535 -0.0997 0.0132 -0.1031 0.0140 -0.0156 0.0035 0.0252 -0.0145 -0.1121 0.0112 0.0737 0.0200 0.0187 0.0087 0.0178 -0.0099 -0.0714 0.0080 0.0093 -0.0181 130. (0.00065) RY (12)Tc 1 s( 4.40%)p 8.94( 39.37%)d 2.65( 11.69%) f 8.63( 38.01%)g 1.48( 6.53%) 0.0000 0.0122 0.0138 0.1942 -0.0772 0.0011 -0.0038 0.0000 -0.0932 -0.1014 -0.0126 0.0048 0.0000 0.1769 0.0708 -0.0330 -0.0152 0.0000 -0.1878 0.5387 -0.0546 0.0923 -0.0066 0.0074 0.0976 -0.0008 0.0118 -0.0507 -0.2714 0.0245 0.0071 -0.1341 -0.0841 0.0112 0.0019 0.0019 -0.0071 0.0443 -0.0009 -0.0526 0.0159 -0.0006 -0.0161 0.1760 -0.0549 -0.0192 0.0313 0.1430 -0.0012 -0.0021 -0.0094 0.0513 0.0251 0.0008 -0.1879 0.1257 -0.0765 0.0176 0.4440 -0.1468 0.0949 -0.0227 0.1371 -0.0171 0.0490 -0.0046 0.1109 0.0267 0.0263 -0.0037 -0.0366 -0.0175 -0.1606 -0.0139 -0.1601 -0.0429 0.0258 -0.0241 -0.0624 0.0009 -0.0405 0.0078 -0.0304 -0.0203 0.0379 -0.0060 0.0220 0.0064 131. (0.00057) RY (13)Tc 1 s( 10.08%)p 3.90( 39.34%)d 1.13( 11.40%) f 3.25( 32.73%)g 0.64( 6.45%) 0.0000 0.0239 -0.0690 0.2767 -0.1357 -0.0191 -0.0102 0.0000 -0.1728 -0.2140 -0.0211 0.0080 0.0000 0.2978 0.2572 -0.0625 -0.0096 0.0000 0.0267 -0.3957 -0.0176 -0.0268 -0.0145 -0.1021 0.1413 0.0233 0.0001 0.1884 0.1142 -0.0118 -0.0034 -0.1236 0.0330 -0.0342 0.0076 0.0535 0.1002 0.0469 -0.0074 0.0118 0.0207 -0.0292 -0.2012 -0.2336 -0.0097 0.0139 -0.0203 0.1703 -0.0157 0.0035 0.0011 0.1666 0.0009 -0.0019 0.0942 -0.0258 0.0228 -0.0113 0.2017 -0.0501 -0.0184 0.0016 -0.1992 0.0456 0.0556 0.0044 0.2465 0.1178 0.0368 -0.0014 0.0116 -0.0007 0.0983 0.0190 0.0829 0.0324 0.1048 -0.0095 -0.1530 -0.0012 -0.0082 0.0132 0.0312 0.0100 0.0992 -0.0022 0.0259 0.0104 132. (0.00045) RY (14)Tc 1 s( 13.76%)p 0.95( 13.09%)d 0.74( 10.17%) f 4.51( 62.11%)g 0.06( 0.87%) 0.0000 0.0044 -0.0307 0.3444 -0.1193 0.0616 -0.0010 0.0000 -0.2635 -0.0299 0.0022 0.0004 0.0000 0.1994 -0.0782 -0.0661 0.0068 0.0000 0.0315 0.0836 -0.0290 -0.0383 0.0085 -0.0994 0.1172 -0.0140 -0.0058 -0.1090 0.0866 -0.0105 -0.0027 0.2275 -0.0519 -0.0287 -0.0017 -0.0385 0.0121 -0.0155 0.0075 -0.0076 0.0064 -0.0305 0.1223 0.1096 -0.0378 -0.0015 -0.0458 0.2347 -0.0172 -0.0023 -0.1609 0.2545 -0.0034 -0.0057 0.0602 -0.0580 -0.0082 -0.0022 -0.4602 0.1485 0.0061 0.0141 0.3699 0.0388 -0.0092 -0.0262 -0.1911 0.1642 0.0289 0.0019 0.0156 -0.0159 -0.0265 -0.0107 -0.0064 0.0059 -0.0124 -0.0191 -0.0346 0.0035 0.0307 -0.0158 -0.0552 0.0012 -0.0344 -0.0096 0.0013 0.0075 133. (0.00040) RY (15)Tc 1 s( 3.00%)p 4.01( 12.02%)d 4.83( 14.45%) f22.60( 67.68%)g 0.95( 2.85%) 0.0000 -0.0169 0.0605 0.1383 0.0817 0.0143 0.0009 0.0000 -0.0434 0.0917 0.0653 0.0520 0.0000 -0.0689 -0.1573 0.0689 0.0152 0.0000 0.0748 -0.2507 0.0026 0.0054 0.0208 -0.0471 -0.0651 -0.0534 0.0072 0.1604 0.0010 0.0083 -0.0026 -0.2426 0.0784 0.0184 -0.0057 -0.1067 0.0257 -0.0485 0.0084 -0.1686 -0.0245 -0.0062 -0.1332 -0.1495 0.0390 0.0073 0.0945 -0.1521 -0.0396 -0.0090 0.0563 0.1286 -0.0171 -0.0093 -0.1317 0.0753 0.0074 0.0028 0.2959 -0.1403 -0.0028 -0.0045 0.5157 -0.0461 -0.1328 -0.0367 -0.4006 0.0478 -0.0324 0.0061 0.0675 0.0048 0.0717 0.0157 0.0344 0.0123 -0.0328 0.0151 -0.0067 -0.0057 -0.0157 0.0196 0.0844 0.0058 -0.0770 -0.0146 0.0406 -0.0142 134. (0.00037) RY (16)Tc 1 s( 4.36%)p 5.28( 23.04%)d 0.93( 4.07%) f15.61( 68.08%)g 0.10( 0.45%) 0.0000 -0.0073 0.1146 0.1435 0.0988 -0.0081 0.0027 0.0000 -0.0879 0.0787 0.0694 0.0626 0.0000 -0.0207 -0.0104 0.0595 0.0445 0.0000 -0.4450 -0.0040 0.0604 0.0018 -0.0016 0.0093 -0.0986 -0.0259 0.0053 0.0577 -0.0571 0.0014 0.0161 -0.0055 0.1386 -0.0391 -0.0026 -0.0090 -0.0201 -0.0094 0.0002 0.0090 -0.0429 0.0092 -0.4288 0.2903 -0.0700 -0.0237 0.0131 -0.0600 -0.0105 -0.0021 -0.0077 -0.1243 0.0141 0.0037 0.6118 -0.0328 0.0076 -0.0264 -0.0029 0.0711 0.0151 0.0056 0.0140 -0.0031 -0.0578 0.0047 -0.0401 -0.0044 -0.0283 0.0027 0.0345 0.0037 -0.0367 -0.0033 -0.0060 -0.0149 0.0097 0.0056 0.0243 -0.0032 -0.0175 -0.0170 0.0016 -0.0122 -0.0037 -0.0123 0.0034 -0.0059 135. (0.00029) RY (17)Tc 1 s( 2.45%)p 6.71( 16.46%)d16.58( 40.64%) f14.65( 35.91%)g 1.85( 4.53%) 0.0000 0.0046 0.1392 -0.0210 -0.0457 -0.0505 -0.0064 0.0000 -0.0750 -0.3403 0.0305 0.0331 0.0000 -0.0058 0.0694 0.1387 0.0129 0.0000 -0.0446 0.0599 0.1010 -0.0331 0.0091 -0.0995 0.1307 -0.1051 0.0038 0.0042 0.1325 -0.0026 0.0009 0.0485 -0.1207 -0.0033 0.0057 0.0347 0.4531 0.0515 -0.0032 -0.1200 -0.3318 -0.0118 0.1663 0.0734 -0.0016 -0.0008 0.0429 -0.0923 -0.0822 -0.0057 0.3766 -0.1840 -0.0712 0.0029 0.0220 -0.1405 -0.0103 -0.0052 -0.0488 0.0180 -0.0292 0.0046 0.0398 -0.2510 -0.0783 -0.0368 -0.0826 -0.1574 0.0183 0.0157 0.0610 0.0347 -0.0110 -0.0031 -0.0268 -0.0088 0.0783 0.0262 -0.1375 -0.0007 -0.0059 -0.0049 -0.0262 -0.0045 0.0257 0.0042 0.1078 -0.0256 136. (0.00025) RY (18)Tc 1 s( 0.52%)p47.21( 24.50%)d77.07( 39.99%) f60.89( 31.60%)g 6.55( 3.40%) 0.0000 -0.0002 0.0534 0.0291 0.0305 -0.0238 0.0001 0.0000 -0.0502 -0.0948 0.0285 0.0458 0.0000 -0.0676 -0.0154 0.0784 0.0156 0.0000 0.1519 0.0264 -0.4259 0.1193 0.0002 -0.0070 0.0556 -0.0268 -0.0167 -0.1414 -0.4270 -0.0378 -0.0109 0.1779 0.3660 -0.0951 -0.0012 0.0403 0.0947 0.0078 -0.0026 0.0391 -0.0705 -0.0051 -0.1327 -0.3922 -0.1331 0.0039 0.0021 -0.0620 -0.0077 -0.0024 0.0897 -0.0067 0.0043 -0.0055 0.0505 0.0969 -0.1029 0.0341 -0.0715 0.1904 0.2071 0.0003 -0.0020 -0.0527 -0.0237 -0.0104 0.0020 -0.0574 -0.0059 0.0009 0.0502 0.0017 -0.0674 0.0034 0.0387 -0.0409 0.0085 0.0019 -0.0007 -0.0073 0.0178 0.0003 -0.1482 -0.0186 0.0173 -0.0060 0.0234 -0.0094 137. (0.00022) RY (19)Tc 1 s( 14.52%)p 1.35( 19.61%)d 1.60( 23.26%) f 2.80( 40.60%)g 0.14( 2.01%) 0.0000 -0.0181 0.3008 0.1253 0.1895 -0.0525 -0.0020 0.0000 -0.2445 0.0657 0.1570 0.0748 0.0000 0.2597 -0.0480 -0.1501 0.0336 0.0000 0.0816 -0.0295 0.0268 -0.0103 -0.0066 0.2318 0.0059 -0.0263 -0.0010 -0.0118 0.0269 0.0046 -0.0008 -0.0389 -0.0102 0.0106 0.0000 0.0445 -0.3318 0.0854 -0.0038 0.0146 -0.2341 0.0340 0.1094 -0.0772 0.0320 0.0074 0.4177 -0.0605 0.0579 -0.0074 0.0211 -0.1333 -0.0050 -0.0060 -0.0599 -0.0519 0.0273 0.0015 -0.0888 -0.0210 -0.0109 0.0053 0.0579 0.1205 -0.0780 -0.0047 0.2455 -0.2827 -0.0861 -0.0068 0.1202 -0.0079 0.0402 -0.0022 -0.0227 0.0097 0.0147 0.0167 0.0163 -0.0209 0.0115 -0.0001 -0.0051 0.0051 0.0042 0.0045 -0.0436 0.0022 138. (0.00017) RY (20)Tc 1 s( 26.11%)p 0.59( 15.52%)d 0.90( 23.41%) f 1.23( 32.10%)g 0.11( 2.86%) 0.0000 -0.0032 0.1153 0.4661 0.1624 -0.0639 -0.0100 0.0000 -0.0073 0.0149 0.1408 0.1217 0.0000 -0.2029 0.1607 0.1876 0.0785 0.0000 0.0404 0.0575 0.0803 -0.0240 -0.0119 0.0741 -0.3031 -0.0803 -0.0052 -0.0250 -0.0324 -0.0014 -0.0039 0.0797 -0.2319 -0.0300 -0.0060 0.1415 -0.1142 0.0359 -0.0103 0.1656 0.0566 0.0479 -0.0039 -0.0933 -0.0210 0.0159 -0.2808 -0.1773 -0.0344 0.0021 -0.0712 0.0306 0.0256 -0.0119 -0.1896 -0.1670 -0.0033 0.0038 -0.0079 0.0197 0.0002 -0.0036 -0.1178 -0.2581 -0.1294 0.0272 0.0262 0.1415 -0.1014 -0.0084 0.0110 0.0214 0.0398 -0.0056 -0.0225 -0.0066 0.1032 0.0081 -0.0373 -0.0057 -0.0267 0.0043 -0.0349 -0.0072 0.0764 -0.0352 -0.0659 -0.0165 139. (0.00013) RY (21)Tc 1 s( 2.78%)p 3.27( 9.08%)d12.62( 35.07%) f17.78( 49.39%)g 1.32( 3.67%) 0.0000 -0.0066 0.0573 0.1561 -0.0072 -0.0051 0.0011 0.0000 -0.0879 -0.1814 -0.1166 -0.0935 0.0000 0.1080 0.0914 0.0379 -0.0364 0.0000 0.0588 -0.0302 -0.0076 0.0257 -0.0074 0.0011 -0.1856 -0.0922 0.0054 -0.0182 0.0804 -0.0242 0.0128 -0.2330 0.2975 0.1310 0.0001 -0.0397 0.0533 0.0549 -0.0062 -0.0128 0.3639 0.0113 0.3722 0.1658 0.0736 -0.0210 -0.0094 -0.2265 -0.0165 -0.0079 -0.0645 -0.1437 -0.0690 -0.0115 0.1093 0.3799 0.1372 0.0010 0.0069 0.2105 0.0296 0.0197 0.0172 -0.1039 -0.0647 -0.0154 0.0593 -0.0177 0.0217 0.0068 -0.0027 0.0158 -0.0091 -0.0009 0.0297 0.0239 0.0347 0.0286 0.0458 -0.0044 0.1373 -0.0190 -0.0603 0.0577 0.0000 0.0093 -0.0672 -0.0020 140. (0.00012) RY (22)Tc 1 s( 0.41%)p64.19( 26.27%)d45.98( 18.81%) f99.99( 50.94%)g 8.73( 3.57%) 0.0000 -0.0044 0.0283 -0.0194 0.0426 0.0328 0.0029 0.0000 -0.1670 -0.2689 -0.1808 -0.1308 0.0000 -0.3084 -0.0132 -0.1260 -0.0245 0.0000 -0.0268 0.0016 -0.0075 -0.0101 -0.0114 -0.2127 0.2529 -0.0177 -0.0021 -0.0045 -0.0005 0.0209 0.0015 -0.0355 -0.0661 -0.0148 -0.0090 0.1200 -0.0580 0.0548 -0.0159 0.2208 0.0301 -0.0378 -0.1076 -0.0693 0.0045 0.0000 0.0308 -0.3077 0.0949 -0.0036 -0.2338 -0.3404 -0.0777 -0.0224 -0.0364 -0.1107 -0.0245 -0.0012 -0.0448 -0.1007 -0.0647 -0.0095 0.2967 0.1639 0.0943 0.0107 0.1531 0.1824 0.0063 0.0044 -0.1210 0.0066 0.0054 0.0049 0.0118 -0.0036 0.0728 0.0220 0.0504 -0.0170 -0.0089 0.0136 0.0186 -0.0076 0.0920 -0.0250 0.0340 0.0362 141. (0.00010) RY (23)Tc 1 s( 1.62%)p 8.17( 13.20%)d31.38( 50.69%) f19.24( 31.08%)g 2.12( 3.42%) 0.0000 0.0081 -0.0454 0.0805 0.0320 0.0799 -0.0121 0.0000 -0.0135 0.0849 0.1326 0.1027 0.0000 -0.2762 -0.0479 -0.0335 0.1058 0.0000 0.0164 -0.0372 -0.0567 0.0262 -0.0024 -0.0518 0.1094 0.0778 0.0046 0.0092 0.0166 0.0312 0.0068 -0.2061 0.2139 0.1196 -0.0013 0.1405 -0.0303 0.0152 0.0035 0.1225 -0.5884 0.0112 0.1792 0.1540 0.1068 -0.0005 -0.0500 0.1268 0.1118 0.0168 -0.1734 0.0501 -0.0263 0.0031 0.0066 0.2453 0.1458 0.0034 0.0213 -0.0115 -0.0014 0.0069 -0.1372 -0.0935 0.1128 0.0056 -0.0230 0.2250 0.0718 -0.0122 0.0879 0.0054 -0.0355 0.0023 0.0232 0.0330 -0.0497 -0.0063 -0.1100 -0.0183 0.0319 -0.0018 -0.0108 0.0561 0.0458 -0.0386 -0.0232 0.0131 142. (0.00008) RY (24)Tc 1 s( 3.69%)p 3.53( 13.04%)d10.48( 38.71%) f10.01( 37.00%)g 2.05( 7.56%) 143. (0.00006) RY (25)Tc 1 s( 2.59%)p 4.50( 11.64%)d 9.07( 23.45%) f21.46( 55.52%)g 2.63( 6.80%) 144. (0.00005) RY (26)Tc 1 s( 1.09%)p 8.00( 8.73%)d23.92( 26.12%) f47.17( 51.50%)g11.49( 12.55%) 145. (0.00004) RY (27)Tc 1 s( 4.92%)p 3.38( 16.65%)d 2.95( 14.51%) f10.32( 50.77%)g 2.67( 13.15%) 146. (0.00003) RY (28)Tc 1 s( 11.02%)p 1.16( 12.79%)d 1.25( 13.76%) f 4.44( 48.89%)g 1.23( 13.55%) 147. (0.00003) RY (29)Tc 1 s( 5.58%)p 3.22( 17.96%)d 4.44( 24.76%) f 6.37( 35.55%)g 2.89( 16.14%) 148. (0.00002) RY (30)Tc 1 s( 1.98%)p 2.71( 5.37%)d10.79( 21.39%) f25.02( 49.60%)g10.92( 21.66%) 149. (0.00002) RY (31)Tc 1 s( 1.88%)p 7.97( 14.99%)d 8.40( 15.80%) f30.76( 57.86%)g 5.04( 9.47%) 150. (0.00001) RY (32)Tc 1 s( 2.55%)p 4.05( 10.31%)d 8.71( 22.17%) f13.88( 35.34%)g11.64( 29.62%) 151. (0.00001) RY (33)Tc 1 s( 1.57%)p11.20( 17.55%)d 9.99( 15.65%) f24.92( 39.06%)g16.70( 26.17%) 152. (0.00001) RY (34)Tc 1 s( 4.62%)p 6.50( 30.07%)d 0.69( 3.18%) f 8.32( 38.45%)g 5.12( 23.67%) 153. (0.00000) RY (35)Tc 1 s( 9.67%)p 1.63( 15.79%)d 2.21( 21.35%) f 3.84( 37.12%)g 1.66( 16.07%) 154. (0.00000) RY (36)Tc 1 s( 1.92%)p11.67( 22.45%)d 8.28( 15.92%) f15.22( 29.28%)g15.82( 30.42%) 155. (0.00001) RY (37)Tc 1 s( 10.40%)p 1.65( 17.12%)d 2.19( 22.76%) f 2.96( 30.80%)g 1.82( 18.92%) 156. (0.00001) RY (38)Tc 1 s( 2.72%)p 5.81( 15.80%)d 7.04( 19.14%) f18.89( 51.37%)g 4.03( 10.97%) 157. (0.00000) RY (39)Tc 1 s( 5.33%)p 1.63( 8.69%)d 4.01( 21.37%) f 8.76( 46.69%)g 3.36( 17.92%) 158. (0.00000) RY (40)Tc 1 s( 4.36%)p 1.13( 4.90%)d 7.39( 32.19%) f 9.64( 41.98%)g 3.80( 16.58%) 159. (0.00000) RY (41)Tc 1 s( 2.07%)p14.12( 29.22%)d 9.02( 18.66%) f18.14( 37.54%)g 6.04( 12.51%) 160. (0.00000) RY (42)Tc 1 s( 13.99%)p 2.31( 32.30%)d 1.08( 15.08%) f 2.02( 28.29%)g 0.74( 10.34%) 161. (0.00000) RY (43)Tc 1 s( 1.49%)p 8.99( 13.41%)d11.96( 17.85%) f26.79( 39.99%)g18.26( 27.25%) 162. (0.00000) RY (44)Tc 1 s( 4.11%)p 1.64( 6.76%)d12.99( 53.40%) f 4.84( 19.89%)g 3.85( 15.84%) 163. (0.00000) RY (45)Tc 1 s( 1.36%)p 1.44( 1.97%)d 3.64( 4.95%) f11.87( 16.16%)g55.52( 75.56%) 164. (0.00000) RY (46)Tc 1 s( 10.51%)p 0.20( 2.08%)d 0.36( 3.83%) f 2.76( 28.98%)g 5.20( 54.60%) 165. (0.00000) RY (47)Tc 1 s( 9.99%)p 0.25( 2.49%)d 0.25( 2.50%) f 1.19( 11.90%)g 7.32( 73.11%) 166. (0.00000) RY (48)Tc 1 s( 5.04%)p 0.41( 2.04%)d 0.10( 0.51%) f 2.55( 12.86%)g15.79( 79.56%) 167. (0.00000) RY (49)Tc 1 s( 5.55%)p 0.41( 2.28%)d 0.44( 2.42%) f 5.95( 33.03%)g10.23( 56.73%) 168. (0.00000) RY (50)Tc 1 s( 7.50%)p 0.10( 0.77%)d 0.66( 4.96%) f 3.21( 24.07%)g 8.36( 62.69%) 169. (0.00000) RY (51)Tc 1 s( 24.62%)p 0.28( 6.91%)d 0.15( 3.67%) f 0.90( 22.07%)g 1.74( 42.74%) 170. (0.00000) RY (52)Tc 1 s( 13.26%)p 0.37( 4.85%)d 0.48( 6.34%) f 2.58( 34.19%)g 3.12( 41.36%) 171. (0.00000) RY (53)Tc 1 s( 6.32%)p 1.23( 7.79%)d 0.67( 4.25%) f 4.77( 30.16%)g 8.15( 51.49%) 172. (0.00000) RY (54)Tc 1 s( 1.26%)p 1.03( 1.30%)d 2.14( 2.70%) f47.01( 59.42%)g27.94( 35.31%) 173. (0.00000) RY (55)Tc 1 s( 2.09%)p 2.36( 4.92%)d 3.03( 6.33%) f20.79( 43.41%)g20.72( 43.25%) 174. (0.00000) RY (56)Tc 1 s( 4.60%)p 0.76( 3.48%)d 2.03( 9.32%) f 7.20( 33.08%)g10.78( 49.53%) 175. (0.00000) RY (57)Tc 1 s( 16.22%)p 0.35( 5.70%)d 0.65( 10.62%) f 2.23( 36.09%)g 1.93( 31.38%) 176. (0.00000) RY (58)Tc 1 s( 3.70%)p 1.54( 5.72%)d 4.70( 17.40%) f 7.39( 27.36%)g12.37( 45.81%) 177. (0.00000) RY (59)Tc 1 s( 0.50%)p12.17( 6.12%)d18.49( 9.30%) f49.03( 24.67%)g99.99( 59.40%) 178. (0.00000) RY (60)Tc 1 s( 0.67%)p 4.99( 3.36%)d 7.42( 4.99%) f48.05( 32.30%)g87.29( 58.68%) 179. (0.00000) RY (61)Tc 1 s( 4.86%)p 3.56( 17.30%)d 2.99( 14.53%) f 6.65( 32.31%)g 6.38( 30.99%) 180. (0.00000) RY (62)Tc 1 s( 7.30%)p 2.41( 17.62%)d 1.52( 11.08%) f 2.45( 17.92%)g 6.31( 46.07%) 181. (0.00000) RY (63)Tc 1 s( 1.45%)p 6.26( 9.09%)d16.92( 24.57%) f24.97( 36.27%)g19.71( 28.62%) 182. (0.00000) RY (64)Tc 1 s( 5.68%)p 2.44( 13.84%)d 1.42( 8.07%) f 5.25( 29.79%)g 7.51( 42.62%) 183. (0.00000) RY (65)Tc 1 s( 4.68%)p 2.56( 11.95%)d 2.20( 10.29%) f 6.60( 30.88%)g 9.02( 42.19%) 184. (0.00000) RY (66)Tc 1 s( 6.67%)p 3.15( 21.05%)d 1.81( 12.06%) f 3.99( 26.60%)g 5.04( 33.62%) 185. (0.00000) RY (67)Tc 1 s( 1.95%)p 5.07( 9.88%)d 7.53( 14.67%) f14.79( 28.82%)g22.92( 44.67%) 186. (0.00000) RY (68)Tc 1 s( 4.22%)p 1.96( 8.27%)d 5.18( 21.88%) f 6.47( 27.33%)g 9.07( 38.29%) 187. (0.00000) RY (69)Tc 1 s( 12.45%)p 0.62( 7.73%)d 0.65( 8.14%) f 3.46( 43.11%)g 2.29( 28.57%) 188. (0.00000) RY (70)Tc 1 s( 5.90%)p 1.26( 7.46%)d 1.59( 9.38%) f 7.85( 46.37%)g 5.23( 30.89%) 189. (0.00000) RY (71)Tc 1 s( 3.17%)p 7.29( 23.15%)d 6.12( 19.44%) f10.54( 33.46%)g 6.54( 20.78%) 190. (0.00000) RY (72)Tc 1 s( 8.74%)p 2.12( 18.50%)d 1.91( 16.72%) f 4.83( 42.21%)g 1.58( 13.82%) 191. (0.00000) RY (73)Tc 1 s( 6.79%)p 5.18( 35.17%)d 1.72( 11.67%) f 4.18( 28.39%)g 2.65( 17.98%) 192. (0.00000) RY (74)Tc 1 s( 23.47%)p 1.11( 25.95%)d 0.53( 12.42%) f 1.11( 26.17%)g 0.51( 12.00%) 193. (0.00000) RY (75)Tc 1 s( 5.43%)p11.16( 60.58%)d 2.47( 13.42%) f 2.00( 10.84%)g 1.79( 9.74%) 194. (0.00000) RY (76)Tc 1 s( 4.95%)p 1.45( 7.19%)d 1.96( 9.69%) f 9.40( 46.52%)g 6.39( 31.64%) 195. (0.00000) RY (77)Tc 1 s( 26.29%)p 0.42( 11.04%)d 0.39( 10.38%) f 0.98( 25.86%)g 1.01( 26.43%) 196. (0.00000) RY (78)Tc 1 s( 0.33%)p18.26( 6.07%)d71.21( 23.67%) f99.99( 42.29%)g83.20( 27.65%) 197. (0.00540) RY ( 1) S 2 s( 2.97%)p 6.39( 18.94%)d25.93( 76.90%) f 0.37( 1.10%)g 0.03( 0.08%) 0.0000 0.0000 -0.0049 0.1721 0.0016 0.0021 0.0005 -0.0001 0.0000 0.0000 0.0414 0.0839 0.0220 -0.0060 0.0002 0.0000 -0.0066 -0.3823 0.0327 0.0067 -0.0002 0.0000 0.0122 -0.1787 0.0273 0.0047 -0.0003 0.1737 0.0214 -0.0017 -0.0011 0.4518 0.1299 0.0011 0.0000 -0.2908 -0.0717 -0.0032 0.0013 0.5787 0.1222 0.0131 -0.0013 -0.2741 -0.0501 -0.0018 0.0006 0.0015 -0.0003 0.0320 0.0517 -0.0138 -0.0366 0.0106 0.0392 0.0298 0.0204 -0.0468 -0.0221 -0.0018 0.0136 0.0128 -0.0049 -0.0073 0.0051 0.0081 0.0058 0.0035 0.0210 0.0005 198. (0.00234) RY ( 2) S 2 s( 1.14%)p11.60( 13.20%)d71.41( 81.26%) f 3.66( 4.17%)g 0.20( 0.23%) 0.0000 0.0000 0.0037 0.1066 -0.0002 -0.0031 0.0004 0.0003 0.0001 0.0000 -0.0839 0.2574 0.0074 0.0099 0.0004 0.0000 0.0006 0.2323 0.0505 -0.0056 0.0002 0.0000 -0.0195 -0.0332 0.0208 0.0100 0.0005 0.6750 0.1324 0.0018 -0.0018 0.4083 0.0131 0.0057 -0.0016 0.3204 0.0707 0.0145 -0.0049 -0.2087 -0.0323 -0.0202 0.0014 0.1393 -0.0030 0.0135 -0.0008 0.0607 0.0089 0.0627 -0.0134 0.0510 0.0581 -0.0733 -0.0743 0.0476 0.0418 -0.0469 -0.0365 -0.0697 -0.0675 -0.0107 -0.0089 0.0182 -0.0187 0.0124 -0.0051 -0.0142 0.0186 0.0265 199. (0.00170) RY ( 3) S 2 s( 3.47%)p14.70( 51.00%)d12.57( 43.60%) f 0.54( 1.87%)g 0.02( 0.05%) 0.0000 0.0000 0.0064 0.1860 -0.0030 -0.0052 -0.0013 0.0001 0.0002 0.0000 -0.0458 0.0986 0.0195 0.0223 0.0002 0.0000 0.0004 -0.4219 -0.0040 0.0124 0.0002 0.0000 0.0042 0.5499 0.1295 -0.0021 -0.0001 -0.2055 -0.0281 0.0050 0.0023 0.3233 -0.0463 0.0347 -0.0011 -0.0592 -0.0234 0.0095 0.0012 -0.1588 -0.0558 -0.0072 -0.0008 0.4240 0.2693 0.0164 -0.0025 -0.0018 0.0781 -0.0278 0.0508 0.0327 0.0167 -0.0290 0.0060 0.0552 -0.0290 -0.0063 0.0253 0.0412 -0.0282 0.0012 0.0169 0.0105 0.0026 0.0049 -0.0060 -0.0052 -0.0035 -0.0060 200. (0.00132) RY ( 4) S 2 s( 2.80%)p14.48( 40.57%)d19.60( 54.91%) f 0.57( 1.59%)g 0.05( 0.13%) 0.0000 0.0000 -0.0054 0.1672 0.0065 0.0001 0.0004 -0.0001 0.0000 0.0000 0.0258 -0.4975 -0.0358 0.0202 0.0000 0.0000 0.0065 -0.3193 0.0790 -0.0004 0.0009 0.0000 -0.0064 0.2081 -0.0648 0.0028 -0.0007 0.4926 0.1927 -0.0207 -0.0007 -0.3858 -0.2749 0.0237 -0.0021 0.0079 0.0122 0.0027 -0.0003 0.1068 0.1191 -0.0128 -0.0008 0.1090 -0.0760 0.0169 0.0000 -0.0268 -0.0436 -0.0420 -0.0234 0.0036 0.0215 0.0083 0.0632 -0.0080 0.0038 -0.0198 -0.0487 -0.0367 -0.0471 -0.0041 0.0024 -0.0040 -0.0028 -0.0180 -0.0186 0.0034 0.0184 0.0143 201. (0.00053) RY ( 5) S 2 s( 32.11%)p 0.66( 21.21%)d 1.36( 43.83%) f 0.08( 2.49%)g 0.01( 0.35%) 0.0000 0.0000 -0.0067 0.5613 0.0769 0.0077 0.0002 0.0003 0.0004 0.0000 0.0624 0.1281 0.2148 0.0130 0.0003 0.0000 -0.0041 0.2556 0.1278 0.0001 -0.0005 0.0000 -0.0033 0.2335 0.0849 0.0457 -0.0001 -0.1856 0.1689 -0.0107 0.0000 -0.2152 0.1891 0.0135 0.0026 0.3454 0.1279 0.0032 -0.0051 0.3834 -0.0816 0.0378 -0.0018 -0.0467 -0.0038 0.0006 0.0014 0.0081 -0.0523 0.0473 0.0314 0.0815 0.0427 0.0270 0.0203 -0.0258 0.0666 -0.0173 -0.0276 0.0344 0.0442 -0.0144 0.0283 0.0117 -0.0177 0.0240 -0.0225 0.0191 -0.0131 -0.0205 202. (0.00033) RY ( 6) S 2 s( 1.30%)p 9.04( 11.73%)d62.55( 81.11%) f 4.27( 5.53%)g 0.26( 0.33%) 0.0000 0.0000 0.0107 -0.0565 0.0973 0.0139 -0.0003 0.0008 -0.0001 0.0000 -0.0022 0.2196 -0.0968 -0.0213 0.0005 0.0000 0.0211 -0.0772 -0.0827 0.0110 0.0001 0.0000 0.0103 0.0887 0.1941 0.0139 -0.0004 0.3356 -0.2017 0.0361 0.0027 -0.4043 0.4371 -0.0353 0.0028 -0.1611 -0.0108 0.0071 -0.0001 -0.0158 -0.0604 0.0252 -0.0126 -0.1519 0.4966 -0.0124 0.0088 -0.1528 0.1394 -0.0058 0.0081 0.0387 0.0080 0.0097 -0.0247 0.0756 0.0013 -0.0196 0.0332 -0.0529 0.0129 0.0001 -0.0201 0.0187 0.0250 0.0037 0.0257 -0.0160 -0.0261 0.0190 203. (0.00028) RY ( 7) S 2 s( 0.05%)p99.99( 35.40%)d99.99( 59.97%) f87.75( 4.40%)g 3.69( 0.19%) 0.0000 0.0000 0.0103 0.0143 0.0122 -0.0058 0.0028 -0.0004 0.0000 0.0000 -0.0214 0.5078 0.1783 -0.0015 0.0003 0.0000 0.0213 -0.1141 0.1624 -0.0117 0.0005 0.0000 -0.0008 -0.1041 -0.1138 0.0133 -0.0012 0.0357 0.3321 -0.0347 0.0047 -0.2811 0.1061 0.0022 0.0042 -0.4226 0.0642 -0.0238 0.0090 -0.1279 0.1012 0.0147 0.0001 0.3142 -0.2959 -0.0001 -0.0005 0.0686 -0.0982 -0.0165 0.0229 -0.0001 -0.0538 -0.0050 0.0873 -0.0247 0.0508 0.1128 -0.0476 -0.0103 0.0004 -0.0098 0.0128 -0.0176 0.0179 0.0101 -0.0246 0.0011 -0.0115 0.0109 204. (0.00020) RY ( 8) S 2 s( 8.01%)p 2.09( 16.74%)d 8.50( 68.11%) f 0.87( 6.97%)g 0.02( 0.17%) 0.0000 0.0000 0.0133 0.2818 -0.0221 -0.0082 0.0020 -0.0008 0.0003 0.0000 -0.0054 -0.1080 -0.1149 0.0011 0.0018 0.0000 0.0135 0.2405 0.1828 -0.0064 -0.0008 0.0000 0.0514 0.2157 0.0411 -0.0137 0.0010 0.0135 0.0901 -0.0211 -0.0006 0.1310 -0.1572 -0.0096 0.0074 -0.4830 0.3068 -0.0600 0.0138 -0.3010 -0.1320 -0.0067 0.0027 -0.4296 0.0523 -0.0586 0.0179 -0.0145 -0.0509 0.0707 0.0003 -0.0266 -0.0567 0.1497 -0.0749 0.0336 0.0056 0.1310 -0.0979 -0.0161 -0.0427 0.0086 0.0257 0.0071 0.0142 0.0196 -0.0052 -0.0008 -0.0141 -0.0085 205. (0.00019) RY ( 9) S 2 s( 2.03%)p14.90( 30.30%)d31.12( 63.30%) f 1.96( 3.99%)g 0.18( 0.37%) 0.0000 0.0000 0.0033 0.1298 -0.0545 -0.0225 -0.0019 -0.0004 0.0001 0.0000 -0.0044 0.2930 0.1423 0.0160 -0.0014 0.0000 -0.0264 -0.3639 -0.2099 0.0404 -0.0017 0.0000 0.0094 -0.0207 0.1242 -0.0431 0.0011 -0.0515 0.1424 -0.0250 -0.0060 -0.0985 -0.2321 0.0814 -0.0017 0.3060 -0.2104 0.0155 -0.0044 -0.3314 0.1149 -0.0246 0.0134 -0.5263 -0.0139 -0.0116 -0.0009 -0.0194 -0.0742 -0.0768 -0.0031 -0.0027 -0.0357 -0.0462 0.0847 -0.0630 0.0036 0.0831 -0.0507 -0.0571 0.0284 0.0066 0.0326 -0.0118 0.0172 0.0051 -0.0179 0.0342 0.0253 -0.0036 206. (0.00013) RY (10) S 2 s( 3.64%)p 5.50( 20.02%)d17.46( 63.51%) f 3.41( 12.42%)g 0.12( 0.42%) 0.0000 0.0000 0.0034 0.0862 0.1600 0.0576 -0.0034 -0.0017 -0.0005 0.0000 -0.0071 -0.0027 0.1510 -0.0499 0.0030 0.0000 0.0017 0.1918 -0.2015 0.0152 -0.0012 0.0000 0.0061 0.2889 -0.1141 0.0249 -0.0032 0.0861 -0.4531 0.0214 -0.0136 0.0444 0.0775 0.0000 -0.0079 -0.0629 0.0216 0.0439 0.0005 -0.0460 0.5939 0.0177 0.0205 -0.0209 -0.2232 0.0361 -0.0139 0.0260 -0.0384 -0.1381 0.1423 -0.0198 -0.0055 -0.0646 0.0703 0.0638 -0.0117 0.2124 -0.0871 -0.0632 0.1107 0.0081 -0.0275 -0.0129 -0.0074 -0.0015 0.0441 -0.0002 -0.0053 -0.0342 207. (0.00008) RY (11) S 2 s( 7.22%)p 2.80( 20.20%)d 8.55( 61.77%) f 1.43( 10.33%)g 0.07( 0.49%) 208. (0.00003) RY (12) S 2 s( 6.29%)p 3.37( 21.22%)d 7.98( 50.19%) f 3.42( 21.52%)g 0.12( 0.77%) 209. (0.00003) RY (13) S 2 s( 15.07%)p 2.37( 35.64%)d 2.90( 43.75%) f 0.33( 5.00%)g 0.04( 0.54%) 210. (0.00002) RY (14) S 2 s( 10.17%)p 5.30( 53.89%)d 1.71( 17.42%) f 1.70( 17.25%)g 0.13( 1.27%) 211. (0.00002) RY (15) S 2 s( 8.50%)p 3.60( 30.59%)d 1.32( 11.22%) f 5.51( 46.83%)g 0.34( 2.86%) 212. (0.00001) RY (16) S 2 s( 6.35%)p 6.88( 43.73%)d 2.74( 17.40%) f 4.62( 29.32%)g 0.50( 3.20%) 213. (0.00001) RY (17) S 2 s( 1.57%)p 7.86( 12.35%)d12.37( 19.43%) f38.92( 61.11%)g 3.53( 5.55%) 214. (0.00001) RY (18) S 2 s( 17.96%)p 0.83( 14.90%)d 1.63( 29.34%) f 1.98( 35.53%)g 0.13( 2.27%) 215. (0.00000) RY (19) S 2 s( 0.42%)p32.63( 13.76%)d42.41( 17.88%) f99.99( 61.83%)g14.51( 6.12%) 216. (0.00000) RY (20) S 2 s( 0.54%)p20.75( 11.15%)d31.44( 16.90%) f99.99( 63.94%)g13.91( 7.48%) 217. (0.00000) RY (21) S 2 s( 17.48%)p 0.59( 10.28%)d 1.09( 19.10%) f 1.34( 23.36%)g 1.70( 29.79%) 218. (0.00000) RY (22) S 2 s( 3.30%)p 2.15( 7.09%)d11.49( 37.91%) f 5.09( 16.78%)g10.59( 34.92%) 219. (0.00000) RY (23) S 2 s( 3.58%)p 2.73( 9.79%)d13.18( 47.26%) f 5.57( 19.96%)g 5.42( 19.42%) 220. (0.00000) RY (24) S 2 s( 12.14%)p 0.28( 3.37%)d 1.38( 16.76%) f 2.24( 27.20%)g 3.34( 40.53%) 221. (0.00000) RY (25) S 2 s( 2.60%)p 2.70( 7.00%)d 6.08( 15.78%) f11.31( 29.35%)g17.44( 45.27%) 222. (0.00000) RY (26) S 2 s( 1.06%)p 3.14( 3.33%)d40.64( 43.07%) f25.02( 26.51%)g24.58( 26.04%) 223. (0.00000) RY (27) S 2 s( 6.70%)p 2.45( 16.40%)d 3.79( 25.37%) f 5.51( 36.87%)g 2.19( 14.66%) 224. (0.00000) RY (28) S 2 s( 1.24%)p12.18( 15.08%)d20.64( 25.55%) f25.22( 31.21%)g21.74( 26.91%) 225. (0.00000) RY (29) S 2 s( 5.87%)p 3.09( 18.13%)d 2.94( 17.28%) f 6.92( 40.59%)g 3.09( 18.13%) 226. (0.00000) RY (30) S 2 s( 3.38%)p 5.07( 17.16%)d12.07( 40.82%) f 7.16( 24.21%)g 4.27( 14.43%) 227. (0.00000) RY (31) S 2 s( 4.88%)p 4.19( 20.43%)d 3.94( 19.22%) f 5.24( 25.55%)g 6.13( 29.91%) 228. (0.00000) RY (32) S 2 s( 5.61%)p 4.80( 26.90%)d 1.65( 9.27%) f 6.68( 37.45%)g 3.70( 20.77%) 229. (0.00000) RY (33) S 2 s( 6.60%)p 2.40( 15.82%)d 1.40( 9.22%) f 4.34( 28.64%)g 6.02( 39.72%) 230. (0.00000) RY (34) S 2 s( 3.33%)p 3.26( 10.87%)d13.23( 44.06%) f 8.66( 28.83%)g 3.88( 12.91%) 231. (0.00000) RY (35) S 2 s( 6.39%)p 2.05( 13.11%)d 5.64( 36.04%) f 4.68( 29.93%)g 2.27( 14.52%) 232. (0.00000) RY (36) S 2 s( 7.46%)p 4.20( 31.37%)d 3.83( 28.55%) f 3.47( 25.89%)g 0.90( 6.72%) 233. (0.00000) RY (37) S 2 s( 5.78%)p 2.60( 15.02%)d 6.65( 38.44%) f 6.64( 38.35%)g 0.42( 2.41%) 234. (0.00000) RY (38) S 2 s( 0.91%)p 8.29( 7.55%)d45.95( 41.88%) f50.56( 46.08%)g 3.92( 3.57%) 235. (0.00000) RY (39) S 2 s( 6.86%)p 2.90( 19.86%)d 4.71( 32.31%) f 5.03( 34.48%)g 0.95( 6.49%) 236. (0.00000) RY (40) S 2 s( 1.25%)p 5.87( 7.36%)d39.13( 49.07%) f29.89( 37.48%)g 3.86( 4.84%) 237. (0.00000) RY (41) S 2 s( 20.52%)p 0.58( 11.90%)d 1.64( 33.68%) f 1.44( 29.44%)g 0.22( 4.46%) 238. (0.00000) RY (42) S 2 s( 2.24%)p10.06( 22.55%)d17.99( 40.32%) f13.21( 29.62%)g 2.35( 5.27%) 239. (0.00000) RY (43) S 2 s( 3.35%)p 1.77( 5.94%)d 5.98( 20.04%) f19.88( 66.66%)g 1.19( 4.01%) 240. (0.00000) RY (44) S 2 s( 0.66%)p36.27( 23.87%)d30.85( 20.30%) f69.13( 45.49%)g14.70( 9.67%) 241. (0.00000) RY (45) S 2 s( 25.07%)p 0.79( 19.77%)d 0.72( 18.05%) f 1.41( 35.30%)g 0.07( 1.80%) 242. (0.00000) RY (46) S 2 s( 98.65%)p 0.01( 1.12%)d 0.00( 0.11%) f 0.00( 0.04%)g 0.00( 0.08%) 243. (0.00000) RY (47) S 2 s( 95.29%)p 0.03( 2.94%)d 0.01( 1.32%) f 0.00( 0.17%)g 0.00( 0.27%) 244. (0.00000) RY (48) S 2 s( 1.98%)p47.18( 93.41%)d 1.88( 3.71%) f 0.15( 0.29%)g 0.31( 0.60%) 245. (0.00000) RY (49) S 2 s( 22.30%)p 1.61( 35.87%)d 1.51( 33.70%) f 0.10( 2.30%)g 0.26( 5.82%) 246. (0.00000) RY (50) S 2 s( 1.50%)p17.22( 25.82%)d10.86( 16.29%) f 4.42( 6.62%)g33.20( 49.77%) 247. (0.00000) RY (51) S 2 s( 2.55%)p26.01( 66.32%)d 5.88( 15.01%) f 0.94( 2.39%)g 5.39( 13.74%) 248. (0.00000) RY (52) S 2 s( 16.71%)p 1.42( 23.72%)d 1.20( 19.97%) f 0.64( 10.76%)g 1.73( 28.84%) 249. (0.00000) RY (53) S 2 s( 10.76%)p 1.36( 14.64%)d 4.99( 53.66%) f 0.33( 3.55%)g 1.62( 17.39%) 250. (0.00000) RY (54) S 2 s( 22.32%)p 0.27( 5.96%)d 0.53( 11.83%) f 0.63( 13.95%)g 2.06( 45.94%) 251. (0.00000) RY (55) S 2 s( 4.97%)p 0.16( 0.81%)d 9.40( 46.70%) f 2.21( 10.98%)g 7.36( 36.55%) 252. (0.00000) RY (56) S 2 s( 0.24%)p50.59( 12.27%)d92.05( 22.33%) f98.64( 23.93%)g99.99( 41.23%) 253. (0.00000) RY (57) S 2 s( 8.64%)p 0.93( 8.03%)d 4.82( 41.62%) f 0.53( 4.56%)g 4.30( 37.16%) 254. (0.00000) RY (58) S 2 s( 1.59%)p 5.96( 9.49%)d13.07( 20.79%) f22.25( 35.41%)g20.56( 32.72%) 255. (0.00000) RY (59) S 2 s( 14.02%)p 0.29( 4.14%)d 0.46( 6.46%) f 3.02( 42.38%)g 2.35( 33.00%) 256. (0.00000) RY (60) S 2 s( 8.26%)p 0.89( 7.36%)d 4.01( 33.10%) f 2.40( 19.86%)g 3.81( 31.43%) 257. (0.00000) RY (61) S 2 s( 0.26%)p52.36( 13.76%)d77.50( 20.37%) f38.93( 10.23%)g99.99( 55.38%) 258. (0.00811) RY ( 1) S 3 s( 8.59%)p 0.23( 1.98%)d10.17( 87.35%) f 0.23( 1.94%)g 0.02( 0.15%) 0.0000 0.0000 -0.0181 0.2918 0.0204 -0.0019 -0.0005 0.0001 0.0000 0.0000 -0.0185 -0.0930 0.0055 -0.0011 -0.0004 0.0000 0.0228 0.0048 -0.0320 -0.0074 0.0003 0.0000 -0.0272 -0.0819 0.0404 0.0065 -0.0003 0.3544 0.0112 0.0052 -0.0009 -0.7442 -0.0254 -0.0136 0.0010 -0.0340 -0.0085 -0.0067 -0.0006 0.4281 -0.0143 0.0039 -0.0003 0.0913 -0.0023 0.0030 -0.0008 0.0545 0.0116 -0.0579 -0.0146 -0.0298 -0.0053 -0.0279 -0.0043 0.0744 0.0149 0.0710 0.0108 0.0078 -0.0035 -0.0097 0.0138 -0.0082 0.0132 0.0189 -0.0100 -0.0091 0.0175 0.0094 259. (0.00501) RY ( 2) S 3 s( 0.37%)p72.87( 27.23%)d99.99( 68.73%) f 9.46( 3.54%)g 0.37( 0.14%) 0.0000 0.0000 0.0030 0.0599 0.0117 0.0027 0.0002 0.0000 0.0000 0.0000 -0.1058 0.4359 0.0584 -0.0014 -0.0003 0.0000 -0.0280 0.1937 0.0173 0.0065 -0.0002 0.0000 0.0919 -0.1390 -0.0345 0.0004 -0.0002 -0.1503 -0.0405 -0.0012 0.0008 0.1471 -0.0065 0.0108 0.0000 0.4379 0.0194 0.0185 -0.0020 0.5383 0.0380 0.0196 -0.0036 -0.3959 0.0036 -0.0174 0.0026 -0.0513 -0.0044 -0.0710 -0.0189 0.0616 0.0315 0.1056 0.0419 0.0090 0.0098 0.0200 0.0046 -0.0903 -0.0293 0.0204 -0.0091 0.0087 0.0120 0.0071 -0.0001 -0.0195 -0.0022 -0.0157 260. (0.00271) RY ( 3) S 3 s( 0.73%)p28.96( 21.06%)d99.99( 75.88%) f 2.83( 2.06%)g 0.38( 0.28%) 0.0000 0.0000 0.0031 0.0728 0.0443 0.0007 -0.0007 0.0000 -0.0001 0.0000 0.0300 0.0656 0.0825 0.0063 -0.0012 0.0000 -0.0011 0.3529 -0.0732 0.0005 -0.0002 0.0000 -0.0067 0.2609 -0.0237 0.0060 -0.0005 0.7531 -0.0007 0.0185 -0.0012 0.3848 0.0185 0.0111 -0.0019 -0.1515 -0.0787 0.0077 0.0011 0.0558 0.0230 0.0075 -0.0049 -0.0987 -0.0030 -0.0027 0.0035 -0.0349 -0.0294 0.0230 -0.0065 -0.0353 -0.0106 -0.0055 0.0085 -0.0010 -0.0192 0.0470 0.0442 0.0995 0.0449 -0.0043 -0.0050 0.0110 -0.0171 -0.0173 0.0153 -0.0173 0.0264 0.0281 261. (0.00133) RY ( 4) S 3 s( 3.19%)p 9.50( 30.27%)d20.16( 64.28%) f 0.65( 2.08%)g 0.06( 0.18%) 0.0000 0.0000 0.0029 0.1776 0.0180 -0.0021 -0.0027 0.0003 0.0000 0.0000 0.0231 -0.0548 -0.0333 0.0024 -0.0015 0.0000 -0.0056 0.2610 -0.1056 0.0099 -0.0012 0.0000 -0.0219 0.4649 0.0451 -0.0018 -0.0005 -0.2049 -0.0499 0.0096 0.0024 0.0993 -0.0218 0.0114 0.0002 0.3608 -0.0606 0.0215 -0.0015 0.1678 0.0239 0.0036 -0.0033 0.6436 0.1021 0.0069 -0.0051 0.1039 0.0675 0.0227 -0.0178 -0.0142 -0.0345 0.0106 0.0207 0.0013 -0.0290 -0.0235 -0.0200 -0.0285 0.0068 0.0176 -0.0155 -0.0313 0.0099 -0.0062 -0.0104 -0.0040 -0.0013 0.0009 262. (0.00049) RY ( 5) S 3 s( 23.10%)p 1.52( 35.16%)d 1.72( 39.62%) f 0.09( 2.03%)g 0.00( 0.09%) 0.0000 0.0000 -0.0157 0.4751 0.0705 -0.0041 -0.0020 0.0003 0.0001 0.0000 -0.0228 0.4256 0.1353 -0.0030 -0.0016 0.0000 0.0378 -0.2047 0.2125 -0.0182 0.0007 0.0000 -0.0424 0.2467 0.0030 -0.0098 0.0019 -0.2215 -0.0172 -0.0067 0.0019 0.0927 0.0626 -0.0087 -0.0051 -0.5437 0.1058 -0.0433 -0.0009 0.1280 -0.0710 0.0318 -0.0053 0.0528 -0.0135 -0.0064 0.0036 -0.0083 0.0007 0.0318 -0.0169 -0.0782 -0.0135 0.0137 -0.0288 -0.1007 0.0203 0.0254 0.0116 -0.0176 0.0053 -0.0102 0.0036 -0.0145 -0.0164 -0.0040 -0.0025 0.0120 -0.0061 -0.0087 263. (0.00030) RY ( 6) S 3 s( 5.24%)p 6.25( 32.77%)d11.13( 58.38%) f 0.56( 2.95%)g 0.12( 0.65%) 0.0000 0.0000 0.0110 0.1977 -0.1146 -0.0101 -0.0019 0.0006 0.0002 0.0000 0.0316 0.1637 0.1301 0.0112 -0.0022 0.0000 0.0157 0.4048 0.2201 -0.0068 -0.0017 0.0000 0.0335 0.1538 0.2095 -0.0395 0.0041 -0.0636 -0.0699 -0.0046 0.0017 -0.3150 0.0274 0.0011 -0.0046 0.1378 0.0280 0.0301 -0.0118 -0.4872 0.0884 -0.0185 0.0014 -0.2802 0.3478 -0.0956 0.0004 0.0184 0.0816 0.0176 0.0497 -0.0105 -0.0237 -0.1044 -0.0494 0.0120 0.0032 -0.0492 -0.0359 0.0360 0.0231 0.0054 0.0029 -0.0674 -0.0123 0.0044 -0.0191 0.0358 -0.0116 0.0009 264. (0.00024) RY ( 7) S 3 s( 5.29%)p 9.59( 50.69%)d 6.69( 35.40%) f 1.47( 7.76%)g 0.16( 0.86%) 0.0000 0.0000 0.0054 0.1336 0.1863 0.0083 0.0151 -0.0005 -0.0003 0.0000 0.0220 0.5494 -0.1372 0.0394 -0.0023 0.0000 -0.0178 -0.2436 -0.1409 -0.0137 -0.0011 0.0000 0.0071 -0.2698 -0.1714 0.0470 -0.0034 0.2441 -0.0502 0.0115 0.0044 -0.0159 -0.1472 0.0047 0.0059 0.2707 -0.1240 -0.0141 -0.0004 -0.3195 -0.0487 0.0222 0.0004 0.2755 0.0103 0.0021 0.0021 0.0829 0.0236 -0.0332 0.0965 0.0375 -0.0379 -0.1522 -0.0959 -0.0640 0.1106 0.0254 -0.0121 0.0860 -0.0019 -0.0398 0.0539 0.0167 0.0204 -0.0256 -0.0196 0.0394 -0.0247 0.0150 265. (0.00014) RY ( 8) S 3 s( 5.03%)p11.45( 57.63%)d 4.64( 23.33%) f 2.75( 13.84%)g 0.03( 0.17%) 0.0000 0.0000 -0.0014 -0.1139 0.1903 -0.0191 0.0276 0.0002 0.0006 0.0000 0.0039 -0.0436 -0.3626 0.0248 0.0011 0.0000 0.0030 -0.1985 0.2342 -0.0546 -0.0037 0.0000 0.0166 0.4359 -0.3929 0.0196 0.0018 0.0072 -0.0042 -0.0096 -0.0028 -0.1380 -0.0463 -0.0241 -0.0065 0.0614 -0.3312 -0.0408 -0.0098 0.0559 0.0232 0.0057 0.0053 -0.2521 0.1690 -0.0153 -0.0023 -0.0105 0.0116 0.1728 -0.1575 0.1721 -0.1370 0.0343 -0.0481 -0.0634 0.0862 -0.0812 0.0917 0.0470 -0.0539 -0.0228 0.0035 0.0030 -0.0204 0.0200 0.0090 -0.0109 0.0056 -0.0108 266. (0.00010) RY ( 9) S 3 s( 9.54%)p 3.05( 29.12%)d 5.60( 53.41%) f 0.77( 7.37%)g 0.06( 0.56%) 267. (0.00005) RY (10) S 3 s( 10.99%)p 2.98( 32.78%)d 3.11( 34.21%) f 1.95( 21.47%)g 0.05( 0.55%) 268. (0.00003) RY (11) S 3 s( 13.22%)p 4.42( 58.38%)d 1.51( 19.95%) f 0.62( 8.15%)g 0.02( 0.31%) 269. (0.00002) RY (12) S 3 s( 7.86%)p 2.14( 16.80%)d 6.77( 53.22%) f 2.61( 20.52%)g 0.20( 1.61%) 270. (0.00002) RY (13) S 3 s( 3.24%)p11.63( 37.68%)d10.17( 32.94%) f 7.64( 24.77%)g 0.42( 1.37%) 271. (0.00002) RY (14) S 3 s( 13.54%)p 0.64( 8.67%)d 2.33( 31.59%) f 3.29( 44.49%)g 0.13( 1.71%) 272. (0.00001) RY (15) S 3 s( 15.84%)p 1.35( 21.31%)d 2.70( 42.72%) f 1.23( 19.51%)g 0.04( 0.62%) 273. (0.00001) RY (16) S 3 s( 1.66%)p 2.29( 3.80%)d28.21( 46.76%) f27.11( 44.93%)g 1.73( 2.86%) 274. (0.00000) RY (17) S 3 s( 1.40%)p 2.84( 3.98%)d28.68( 40.14%) f17.84( 24.97%)g21.08( 29.50%) 275. (0.00000) RY (18) S 3 s( 6.51%)p 0.45( 2.95%)d 3.22( 20.95%) f 5.77( 37.59%)g 4.92( 32.00%) 276. (0.00000) RY (19) S 3 s( 2.22%)p 2.44( 5.43%)d18.51( 41.09%) f17.38( 38.57%)g 5.72( 12.69%) 277. (0.00000) RY (20) S 3 s( 1.97%)p 4.05( 7.97%)d 8.53( 16.78%) f19.00( 37.39%)g18.23( 35.89%) 278. (0.00000) RY (21) S 3 s( 3.63%)p 0.50( 1.82%)d 8.20( 29.75%) f 9.09( 32.95%)g 8.78( 31.85%) 279. (0.00000) RY (22) S 3 s( 0.80%)p 4.31( 3.44%)d13.58( 10.83%) f45.93( 36.62%)g60.60( 48.32%) 280. (0.00000) RY (23) S 3 s( 2.08%)p 4.94( 10.27%)d 8.79( 18.30%) f13.92( 28.97%)g19.40( 40.38%) 281. (0.00000) RY (24) S 3 s( 5.29%)p 1.84( 9.73%)d10.89( 57.58%) f 1.43( 7.54%)g 3.76( 19.86%) 282. (0.00000) RY (25) S 3 s( 10.25%)p 1.29( 13.19%)d 1.06( 10.88%) f 1.66( 17.02%)g 4.75( 48.66%) 283. (0.00000) RY (26) S 3 s( 0.20%)p24.46( 4.81%)d81.00( 15.94%) f99.99( 56.92%)g99.99( 22.12%) 284. (0.00000) RY (27) S 3 s( 4.68%)p 3.36( 15.70%)d 2.60( 12.15%) f 4.78( 22.36%)g 9.64( 45.11%) 285. (0.00000) RY (28) S 3 s( 19.39%)p 0.60( 11.56%)d 1.05( 20.35%) f 2.12( 41.06%)g 0.39( 7.64%) 286. (0.00000) RY (29) S 3 s( 2.93%)p 7.10( 20.78%)d 5.32( 15.57%) f 9.86( 28.85%)g10.89( 31.88%) 287. (0.00000) RY (30) S 3 s( 0.66%)p54.74( 36.35%)d35.69( 23.70%) f40.58( 26.94%)g18.60( 12.35%) 288. (0.00000) RY (31) S 3 s( 12.76%)p 0.25( 3.15%)d 2.00( 25.48%) f 3.50( 44.69%)g 1.09( 13.92%) 289. (0.00000) RY (32) S 3 s( 2.55%)p14.31( 36.43%)d14.77( 37.60%) f 8.15( 20.74%)g 1.06( 2.69%) 290. (0.00000) RY (33) S 3 s( 3.13%)p 5.77( 18.03%)d 5.26( 16.45%) f12.71( 39.73%)g 7.25( 22.66%) 291. (0.00000) RY (34) S 3 s( 5.11%)p 2.52( 12.90%)d 6.92( 35.37%) f 6.03( 30.82%)g 3.09( 15.79%) 292. (0.00000) RY (35) S 3 s( 18.85%)p 1.71( 32.15%)d 0.69( 12.95%) f 1.05( 19.81%)g 0.86( 16.25%) 293. (0.00000) RY (36) S 3 s( 8.46%)p 1.76( 14.84%)d 1.57( 13.31%) f 5.75( 48.65%)g 1.74( 14.73%) 294. (0.00000) RY (37) S 3 s( 2.98%)p 3.50( 10.42%)d15.77( 46.94%) f 4.97( 14.78%)g 8.36( 24.88%) 295. (0.00000) RY (38) S 3 s( 4.91%)p 2.61( 12.82%)d11.48( 56.30%) f 4.43( 21.71%)g 0.87( 4.26%) 296. (0.00000) RY (39) S 3 s( 0.51%)p21.32( 10.98%)d45.34( 23.35%) f89.04( 45.85%)g37.50( 19.31%) 297. (0.00000) RY (40) S 3 s( 3.54%)p 4.40( 15.54%)d11.59( 40.96%) f10.17( 35.95%)g 1.14( 4.01%) 298. (0.00000) RY (41) S 3 s( 7.41%)p 2.93( 21.72%)d 5.74( 42.54%) f 3.43( 25.39%)g 0.40( 2.94%) 299. (0.00000) RY (42) S 3 s( 1.73%)p14.46( 25.04%)d18.72( 32.42%) f22.95( 39.76%)g 0.60( 1.05%) 300. (0.00000) RY (43) S 3 s( 3.75%)p 2.78( 10.43%)d 7.80( 29.27%) f13.33( 50.00%)g 1.75( 6.55%) 301. (0.00000) RY (44) S 3 s( 5.67%)p 0.77( 4.37%)d12.44( 70.45%) f 3.19( 18.08%)g 0.25( 1.44%) 302. (0.00000) RY (45) S 3 s( 0.80%)p 7.17( 5.75%)d90.32( 72.43%) f24.37( 19.54%)g 1.84( 1.47%) 303. (0.00000) RY (46) S 3 s( 16.93%)p 1.47( 24.97%)d 1.00( 16.98%) f 2.34( 39.59%)g 0.09( 1.53%) 304. (0.00000) RY (47) S 3 s( 7.37%)p 4.83( 35.64%)d 3.18( 23.47%) f 4.38( 32.33%)g 0.16( 1.18%) 305. (0.00000) RY (48) S 3 s( 98.15%)p 0.01( 0.89%)d 0.01( 0.79%) f 0.00( 0.14%)g 0.00( 0.04%) 306. (0.00000) RY (49) S 3 s( 93.71%)p 0.02( 1.72%)d 0.03( 2.66%) f 0.00( 0.46%)g 0.02( 1.45%) 307. (0.00000) RY (50) S 3 s( 26.12%)p 2.44( 63.79%)d 0.32( 8.28%) f 0.04( 0.93%)g 0.03( 0.87%) 308. (0.00000) RY (51) S 3 s( 28.91%)p 0.61( 17.66%)d 1.63( 47.01%) f 0.11( 3.23%)g 0.11( 3.19%) 309. (0.00000) RY (52) S 3 s( 22.18%)p 1.24( 27.60%)d 1.80( 39.83%) f 0.26( 5.76%)g 0.21( 4.63%) 310. (0.00000) RY (53) S 3 s( 9.46%)p 7.98( 75.50%)d 1.05( 9.92%) f 0.18( 1.68%)g 0.36( 3.44%) 311. (0.00000) RY (54) S 3 s( 6.38%)p10.10( 64.39%)d 2.09( 13.31%) f 0.37( 2.37%)g 2.13( 13.56%) 312. (0.00000) RY (55) S 3 s( 1.04%)p 9.07( 9.43%)d22.33( 23.20%) f11.92( 12.39%)g51.90( 53.94%) 313. (0.00000) RY (56) S 3 s( 1.96%)p 4.85( 9.49%)d10.99( 21.51%) f23.85( 46.70%)g10.39( 20.34%) 314. (0.00000) RY (57) S 3 s( 1.72%)p 4.17( 7.17%)d14.38( 24.69%) f14.16( 24.31%)g24.53( 42.12%) 315. (0.00000) RY (58) S 3 s( 0.18%)p11.40( 2.04%)d99.99( 22.51%) f99.99( 34.91%)g99.99( 40.36%) 316. (0.00000) RY (59) S 3 s( 4.47%)p 0.32( 1.43%)d 7.97( 35.63%) f 4.13( 18.49%)g 8.94( 39.98%) 317. (0.00000) RY (60) S 3 s( 7.39%)p 1.39( 10.25%)d 4.44( 32.82%) f 3.28( 24.24%)g 3.42( 25.30%) 318. (0.00000) RY (61) S 3 s( 2.37%)p 1.40( 3.30%)d 7.19( 17.00%) f 4.90( 11.58%)g27.80( 65.75%) 319. (0.00800) RY ( 1) S 4 s( 11.61%)p 0.05( 0.54%)d 7.41( 86.06%) f 0.14( 1.60%)g 0.02( 0.19%) 0.0000 0.0000 -0.0208 0.3398 0.0153 -0.0033 -0.0004 0.0001 0.0000 0.0000 -0.0247 -0.0023 -0.0056 0.0084 -0.0006 0.0000 -0.0373 -0.0263 0.0486 0.0125 -0.0006 0.0000 -0.0040 0.0008 0.0049 0.0012 0.0000 -0.1254 -0.0041 0.0051 0.0008 0.0165 0.0005 0.0011 0.0000 -0.1455 0.0012 -0.0033 0.0006 0.2066 -0.0276 0.0082 -0.0013 0.8828 0.0161 0.0160 -0.0031 0.0171 0.0022 0.0661 0.0187 0.0974 0.0156 0.0161 0.0023 -0.0086 -0.0024 0.0271 0.0067 0.0129 -0.0002 0.0382 0.0045 -0.0113 -0.0015 0.0131 0.0028 0.0000 0.0037 0.0089 320. (0.00546) RY ( 2) S 4 s( 0.00%)p 1.00( 20.83%)d 3.61( 75.10%) f 0.19( 3.90%)g 0.01( 0.17%) 0.0000 0.0000 -0.0004 0.0037 0.0003 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0021 -0.0050 0.0004 -0.0001 0.0000 0.0000 -0.0139 0.0383 0.0059 0.0000 0.0001 0.0000 0.1531 -0.4242 -0.0561 -0.0027 -0.0006 0.0268 -0.0016 0.0012 0.0000 -0.4214 0.0067 -0.0175 0.0006 -0.7465 -0.0325 -0.0165 0.0008 -0.0699 -0.0026 -0.0016 0.0000 -0.0943 -0.0052 -0.0016 0.0001 0.1357 0.0437 -0.0103 -0.0034 -0.0352 -0.0119 0.0616 0.0233 -0.1067 -0.0352 -0.0110 -0.0030 -0.0085 -0.0031 0.0011 0.0073 0.0040 0.0007 -0.0077 0.0389 0.0033 0.0011 -0.0046 321. (0.00184) RY ( 3) S 4 s( 0.01%)p99.99( 6.45%)d99.99( 91.10%) f99.99( 2.21%)g15.44( 0.22%) 0.0000 0.0000 0.0002 0.0120 -0.0012 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0212 0.0045 -0.0004 -0.0001 0.0000 0.0012 -0.0335 -0.0061 0.0001 0.0000 0.0000 -0.0119 0.2140 0.1300 -0.0017 -0.0005 -0.0740 -0.0071 -0.0002 0.0005 0.7679 0.0697 0.0112 -0.0078 -0.5448 -0.0099 0.0068 -0.0008 -0.0201 0.0000 0.0020 -0.0004 -0.1159 -0.0045 0.0007 -0.0001 0.0139 -0.0049 0.0005 0.0046 -0.0216 -0.0103 0.1211 0.0646 0.0335 0.0339 0.0079 0.0048 -0.0098 -0.0060 -0.0058 0.0270 -0.0144 0.0043 -0.0079 0.0075 0.0333 0.0042 0.0000 322. (0.00165) RY ( 4) S 4 s( 7.05%)p 6.82( 48.11%)d 6.15( 43.38%) f 0.19( 1.33%)g 0.02( 0.13%) 0.0000 0.0000 0.0036 0.2653 0.0077 0.0021 -0.0044 0.0004 0.0001 0.0000 0.0021 0.6142 0.0212 -0.0132 -0.0019 0.0000 0.0085 -0.2970 0.1158 0.0024 -0.0009 0.0000 0.0011 -0.0380 0.0082 0.0002 0.0000 0.1183 0.0356 0.0033 -0.0047 -0.0323 -0.0007 0.0006 -0.0002 -0.0007 0.0032 -0.0026 0.0006 0.6009 0.0001 0.0238 -0.0047 -0.2359 -0.0097 0.0007 -0.0021 -0.0051 -0.0087 -0.0373 0.0600 -0.0202 -0.0315 0.0004 -0.0037 -0.0007 -0.0113 0.0246 0.0037 0.0747 0.0218 -0.0016 -0.0015 -0.0048 0.0291 0.0046 0.0031 -0.0048 -0.0157 0.0114 323. (0.00040) RY ( 5) S 4 s( 4.30%)p16.94( 72.77%)d 4.74( 20.37%) f 0.51( 2.20%)g 0.08( 0.36%) 0.0000 0.0000 -0.0152 0.1480 0.1442 0.0030 0.0044 -0.0001 0.0001 0.0000 -0.0379 0.1681 -0.2766 0.0318 -0.0027 0.0000 -0.0185 0.7759 -0.1094 0.0027 -0.0008 0.0000 -0.0013 0.0782 0.0053 0.0000 0.0002 0.4200 -0.0586 0.0483 -0.0011 0.0330 0.0031 0.0039 -0.0001 -0.0201 0.0114 -0.0056 -0.0005 0.1066 -0.0819 -0.0069 0.0103 -0.0012 -0.0200 0.0353 0.0014 -0.0019 0.0152 -0.0482 -0.0311 -0.0115 0.0681 0.0066 0.0076 0.0175 0.0063 -0.0941 0.0108 0.0608 -0.0245 0.0274 -0.0020 0.0024 -0.0419 -0.0302 -0.0076 0.0055 0.0032 -0.0086 324. (0.00020) RY ( 6) S 4 s( 9.75%)p 4.45( 43.38%)d 4.46( 43.51%) f 0.26( 2.50%)g 0.09( 0.86%) 0.0000 0.0000 -0.0087 0.2919 -0.1076 -0.0242 -0.0005 0.0007 0.0001 0.0000 -0.0022 0.4207 0.4573 -0.0267 0.0034 0.0000 -0.0455 -0.0331 -0.2080 -0.0212 0.0034 0.0000 -0.0037 -0.0029 -0.0091 -0.0009 -0.0002 0.2381 0.0521 -0.0220 -0.0006 0.0250 0.0104 -0.0015 -0.0001 0.0324 0.0160 0.0055 -0.0020 -0.5780 0.1388 -0.0383 -0.0067 0.0958 -0.0931 -0.0164 0.0103 -0.0091 -0.0037 -0.1007 0.0807 -0.0322 0.0071 -0.0061 0.0054 0.0188 -0.0057 -0.0731 -0.0203 0.0188 0.0251 -0.0372 0.0108 0.0050 0.0142 0.0758 0.0122 0.0028 -0.0316 -0.0014 325. (0.00011) RY ( 7) S 4 s( 1.11%)p31.20( 34.76%)d49.47( 55.12%) f 7.74( 8.63%)g 0.34( 0.38%) 0.0000 0.0000 0.0084 0.0792 0.0618 -0.0163 0.0267 -0.0004 0.0003 0.0000 0.0440 0.2844 -0.2877 -0.0335 0.0043 0.0000 0.0183 0.1158 -0.3941 0.0257 0.0051 0.0000 0.0016 0.1035 -0.0143 -0.0114 0.0024 -0.5898 0.2744 -0.0257 0.0069 -0.1147 0.1661 -0.0351 0.0003 -0.0002 -0.0625 -0.0012 0.0029 -0.0966 0.0061 -0.0384 -0.0040 -0.0544 0.2588 -0.0216 0.0138 -0.0183 0.0065 -0.1319 0.1049 -0.0722 0.1428 -0.0372 0.0517 0.0209 0.0184 0.0939 -0.0156 -0.1323 0.0225 0.0222 0.0145 0.0005 -0.0458 0.0021 -0.0124 0.0248 0.0092 -0.0119 326. (0.00011) RY ( 8) S 4 s( 0.03%)p99.99( 30.17%)d99.99( 62.70%) f99.99( 6.03%)g31.82( 1.06%) 0.0000 0.0000 0.0013 0.0151 0.0075 -0.0035 0.0060 -0.0001 0.0000 0.0000 0.0079 0.0625 -0.0634 -0.0043 0.0005 0.0000 0.0028 0.0716 -0.0641 0.0001 0.0017 0.0000 -0.0039 -0.4829 -0.2161 0.0666 -0.0087 -0.1259 0.1079 -0.0164 0.0007 0.3258 -0.6640 0.1556 0.0066 0.1221 0.0650 0.0400 -0.0195 -0.0130 -0.0118 0.0000 -0.0027 0.0033 0.0810 -0.0034 -0.0004 0.0409 0.1250 -0.0477 0.0118 -0.0285 0.0266 0.0256 -0.1189 -0.0605 -0.1377 0.0157 -0.0237 -0.0260 0.0139 0.0118 -0.0442 0.0152 -0.0250 0.0054 0.0445 -0.0745 -0.0057 -0.0094 327. (0.00007) RY ( 9) S 4 s( 0.05%)p99.99( 61.16%)d99.99( 28.13%) f99.99( 9.78%)g16.16( 0.88%) 328. (0.00003) RY (10) S 4 s( 2.00%)p17.93( 35.83%)d19.40( 38.78%) f10.23( 20.45%)g 1.47( 2.95%) 329. (0.00003) RY (11) S 4 s( 2.02%)p17.32( 34.94%)d19.24( 38.81%) f10.43( 21.03%)g 1.59( 3.20%) 330. (0.00002) RY (12) S 4 s( 0.01%)p 1.00( 51.44%)d 0.59( 30.30%) f 0.34( 17.70%)g 0.01( 0.56%) 331. (0.00001) RY (13) S 4 s( 27.80%)p 0.41( 11.28%)d 1.17( 32.55%) f 0.97( 27.08%)g 0.05( 1.29%) 332. (0.00001) RY (14) S 4 s( 19.64%)p 1.19( 23.40%)d 2.31( 45.43%) f 0.52( 10.11%)g 0.07( 1.41%) 333. (0.00001) RY (15) S 4 s( 0.36%)p45.24( 16.12%)d51.63( 18.40%) f99.99( 64.75%)g 1.04( 0.37%) 334. (0.00000) RY (16) S 4 s( 6.17%)p 4.62( 28.54%)d 9.46( 58.40%) f 0.85( 5.24%)g 0.27( 1.66%) 335. (0.00000) RY (17) S 4 s( 2.26%)p 1.75( 3.95%)d 8.96( 20.24%) f14.49( 32.72%)g18.08( 40.84%) 336. (0.00000) RY (18) S 4 s( 6.43%)p 1.87( 11.99%)d 3.38( 21.73%) f 3.25( 20.91%)g 6.06( 38.94%) 337. (0.00000) RY (19) S 4 s( 4.01%)p 0.72( 2.87%)d 8.51( 34.11%) f 7.71( 30.93%)g 7.00( 28.08%) 338. (0.00000) RY (20) S 4 s( 1.24%)p 2.65( 3.28%)d37.83( 46.83%) f24.18( 29.93%)g15.12( 18.72%) 339. (0.00000) RY (21) S 4 s( 0.82%)p20.92( 17.22%)d32.77( 26.97%) f62.42( 51.37%)g 4.40( 3.62%) 340. (0.00000) RY (22) S 4 s( 6.83%)p 0.43( 2.91%)d 3.96( 27.05%) f 6.20( 42.37%)g 3.05( 20.84%) 341. (0.00000) RY (23) S 4 s( 1.96%)p 4.99( 9.78%)d 9.24( 18.09%) f11.33( 22.19%)g24.50( 47.98%) 342. (0.00000) RY (24) S 4 s( 1.79%)p 1.96( 3.51%)d 5.02( 8.97%) f 2.56( 4.58%)g45.38( 81.15%) 343. (0.00000) RY (25) S 4 s( 7.13%)p 0.50( 3.54%)d 4.93( 35.14%) f 4.81( 34.29%)g 2.79( 19.90%) 344. (0.00000) RY (26) S 4 s( 4.54%)p 4.88( 22.14%)d 3.31( 15.03%) f 5.82( 26.42%)g 7.02( 31.87%) 345. (0.00000) RY (27) S 4 s( 0.39%)p 4.26( 1.66%)d56.62( 22.00%) f38.49( 14.96%)g99.99( 60.99%) 346. (0.00000) RY (28) S 4 s( 2.92%)p 1.58( 4.60%)d12.08( 35.22%) f 6.08( 17.73%)g13.56( 39.54%) 347. (0.00000) RY (29) S 4 s( 10.35%)p 0.97( 10.03%)d 1.55( 16.07%) f 3.96( 40.98%)g 2.18( 22.57%) 348. (0.00000) RY (30) S 4 s( 1.20%)p10.74( 12.88%)d 7.61( 9.12%) f43.51( 52.18%)g20.53( 24.62%) 349. (0.00000) RY (31) S 4 s( 8.91%)p 1.01( 8.99%)d 1.75( 15.55%) f 5.72( 50.93%)g 1.75( 15.62%) 350. (0.00000) RY (32) S 4 s( 21.28%)p 0.25( 5.26%)d 0.38( 8.13%) f 2.41( 51.21%)g 0.66( 14.12%) 351. (0.00000) RY (33) S 4 s( 1.45%)p19.33( 28.00%)d 8.19( 11.86%) f25.14( 36.42%)g15.38( 22.28%) 352. (0.00000) RY (34) S 4 s( 17.63%)p 1.13( 19.99%)d 1.01( 17.83%) f 1.71( 30.16%)g 0.82( 14.39%) 353. (0.00000) RY (35) S 4 s( 11.70%)p 1.66( 19.43%)d 3.39( 39.70%) f 1.92( 22.50%)g 0.57( 6.66%) 354. (0.00000) RY (36) S 4 s( 1.39%)p10.96( 15.21%)d20.81( 28.87%) f33.31( 46.20%)g 6.01( 8.34%) 355. (0.00000) RY (37) S 4 s( 12.85%)p 2.51( 32.24%)d 1.51( 19.41%) f 1.22( 15.71%)g 1.54( 19.79%) 356. (0.00000) RY (38) S 4 s( 17.33%)p 1.37( 23.77%)d 1.30( 22.62%) f 1.62( 28.00%)g 0.48( 8.28%) 357. (0.00000) RY (39) S 4 s( 21.82%)p 0.24( 5.16%)d 1.24( 27.08%) f 1.05( 22.99%)g 1.05( 22.96%) 358. (0.00000) RY (40) S 4 s( 5.01%)p 1.00( 5.00%)d 6.80( 34.05%) f 4.90( 24.52%)g 6.28( 31.43%) 359. (0.00000) RY (41) S 4 s( 3.95%)p 3.98( 15.71%)d 5.32( 21.01%) f13.11( 51.71%)g 1.93( 7.62%) 360. (0.00000) RY (42) S 4 s( 5.81%)p 3.51( 20.40%)d 8.16( 47.41%) f 3.97( 23.05%)g 0.57( 3.33%) 361. (0.00000) RY (43) S 4 s( 0.36%)p28.96( 10.31%)d99.99( 45.79%) f96.57( 34.38%)g25.74( 9.16%) 362. (0.00000) RY (44) S 4 s( 14.77%)p 0.95( 14.10%)d 3.88( 57.31%) f 0.52( 7.63%)g 0.42( 6.19%) 363. (0.00000) RY (45) S 4 s( 0.30%)p39.54( 11.81%)d94.24( 28.15%) f99.99( 55.93%)g12.76( 3.81%) 364. (0.00000) RY (46) S 4 s( 6.16%)p 3.31( 20.42%)d10.38( 63.95%) f 1.09( 6.72%)g 0.45( 2.75%) 365. (0.00000) RY (47) S 4 s( 6.61%)p 1.97( 13.04%)d 6.62( 43.77%) f 5.36( 35.42%)g 0.18( 1.16%) 366. (0.00000) RY (48) S 4 s( 7.45%)p 1.69( 12.62%)d 9.29( 69.26%) f 1.24( 9.26%)g 0.19( 1.41%) 367. (0.00000) RY (49) S 4 s( 5.50%)p 1.04( 5.71%)d 8.80( 48.46%) f 6.91( 38.01%)g 0.42( 2.32%) 368. (0.00000) RY (50) S 4 s( 98.34%)p 0.01( 1.28%)d 0.00( 0.28%) f 0.00( 0.04%)g 0.00( 0.05%) 369. (0.00000) RY (51) S 4 s( 90.80%)p 0.07( 6.43%)d 0.01( 0.68%) f 0.01( 0.96%)g 0.01( 1.14%) 370. (0.00000) RY (52) S 4 s( 6.12%)p13.57( 82.98%)d 0.64( 3.93%) f 0.52( 3.16%)g 0.62( 3.82%) 371. (0.00000) RY (53) S 4 s( 28.38%)p 1.04( 29.46%)d 0.59( 16.63%) f 0.54( 15.19%)g 0.36( 10.33%) 372. (0.00000) RY (54) S 4 s( 0.58%)p81.07( 46.81%)d61.92( 35.75%) f15.30( 8.83%)g13.91( 8.03%) 373. (0.00000) RY (55) S 4 s( 6.10%)p 2.02( 12.31%)d 5.39( 32.86%) f 1.31( 8.01%)g 6.68( 40.73%) 374. (0.00000) RY (56) S 4 s( 6.78%)p 5.94( 40.22%)d 4.06( 27.50%) f 1.36( 9.25%)g 2.40( 16.25%) 375. (0.00000) RY (57) S 4 s( 20.54%)p 0.38( 7.74%)d 0.98( 20.11%) f 1.40( 28.76%)g 1.11( 22.85%) 376. (0.00000) RY (58) S 4 s( 12.92%)p 1.69( 21.78%)d 3.46( 44.75%) f 0.39( 5.01%)g 1.20( 15.54%) 377. (0.00000) RY (59) S 4 s( 1.59%)p12.37( 19.60%)d14.18( 22.48%) f31.31( 49.64%)g 4.22( 6.69%) 378. (0.00000) RY (60) S 4 s( 3.43%)p 2.96( 10.16%)d 6.91( 23.70%) f 8.52( 29.23%)g 9.75( 33.47%) 379. (0.00000) RY (61) S 4 s( 10.24%)p 0.71( 7.26%)d 1.33( 13.58%) f 2.42( 24.79%)g 4.31( 44.12%) 380. (0.00802) RY ( 1) S 5 s( 8.44%)p 0.25( 2.10%)d10.35( 87.35%) f 0.23( 1.97%)g 0.02( 0.15%) 0.0000 0.0000 -0.0177 0.2892 0.0198 -0.0018 -0.0006 0.0001 0.0000 0.0000 -0.0168 -0.0879 0.0024 -0.0028 -0.0003 0.0000 0.0166 -0.0054 -0.0238 -0.0065 0.0002 0.0000 0.0307 0.0935 -0.0484 -0.0077 0.0003 0.2194 0.0077 0.0026 -0.0007 0.7873 0.0257 0.0151 -0.0012 -0.0740 0.0118 0.0043 0.0009 0.4443 -0.0105 0.0053 -0.0003 0.0360 0.0016 0.0037 -0.0004 -0.0574 -0.0115 -0.0856 -0.0193 -0.0074 -0.0004 0.0181 0.0013 -0.0697 -0.0120 0.0553 0.0075 0.0007 -0.0043 -0.0040 -0.0088 0.0052 0.0152 0.0188 0.0184 0.0004 0.0191 0.0062 381. (0.00508) RY ( 2) S 5 s( 0.39%)p70.07( 27.65%)d99.99( 68.34%) f 8.80( 3.47%)g 0.35( 0.14%) 0.0000 0.0000 0.0026 0.0612 0.0137 0.0024 0.0003 0.0000 0.0000 0.0000 -0.1098 0.4430 0.0633 -0.0005 -0.0003 0.0000 -0.0117 0.1788 0.0098 0.0058 -0.0003 0.0000 -0.0908 0.1497 0.0356 0.0012 0.0002 -0.1224 -0.0408 0.0004 0.0005 -0.2226 -0.0038 -0.0124 0.0005 -0.3830 -0.0238 -0.0155 0.0017 0.4645 0.0295 0.0171 -0.0030 -0.5021 -0.0043 -0.0221 0.0029 0.0833 0.0213 -0.0568 -0.0166 0.0615 0.0371 -0.1107 -0.0377 0.0119 -0.0026 0.0171 0.0022 -0.0644 -0.0201 0.0099 0.0116 -0.0228 0.0129 0.0005 -0.0024 0.0162 0.0034 -0.0140 382. (0.00274) RY ( 3) S 5 s( 0.63%)p34.83( 21.98%)d99.99( 74.97%) f 3.37( 2.13%)g 0.46( 0.29%) 0.0000 0.0000 0.0031 0.0646 0.0461 0.0019 -0.0010 0.0000 0.0000 0.0000 0.0315 0.0456 0.0828 0.0040 -0.0014 0.0000 -0.0022 0.4046 -0.0767 0.0018 -0.0003 0.0000 0.0064 -0.2004 0.0061 -0.0053 0.0005 0.8130 0.0051 0.0206 -0.0017 -0.2463 -0.0154 -0.0075 0.0022 0.1279 0.0691 -0.0083 -0.0012 0.0617 0.0357 0.0040 -0.0054 -0.0192 0.0250 -0.0050 0.0033 0.0115 0.0221 0.0214 0.0006 -0.0505 -0.0208 0.0120 -0.0043 -0.0245 0.0075 0.0455 0.0454 0.1002 0.0471 -0.0079 -0.0004 0.0000 -0.0121 -0.0149 -0.0164 0.0116 0.0293 0.0345 383. (0.00134) RY ( 4) S 5 s( 3.20%)p 9.25( 29.64%)d20.25( 64.89%) f 0.65( 2.09%)g 0.06( 0.18%) 0.0000 0.0000 0.0025 0.1780 0.0187 -0.0021 -0.0027 0.0003 0.0000 0.0000 0.0240 -0.0762 -0.0389 0.0017 -0.0015 0.0000 -0.0084 0.3296 -0.0975 0.0099 -0.0012 0.0000 0.0211 -0.4073 -0.0617 0.0022 0.0004 -0.2158 -0.0476 0.0093 0.0029 -0.0989 0.0182 -0.0092 0.0000 -0.5462 0.0258 -0.0232 0.0032 0.0880 0.0275 0.0007 -0.0034 0.5204 0.1042 0.0030 -0.0044 -0.1010 -0.0724 0.0155 -0.0149 0.0343 0.0009 -0.0143 -0.0239 -0.0001 0.0363 -0.0251 -0.0140 -0.0273 0.0119 0.0287 0.0139 0.0128 0.0198 -0.0128 0.0081 -0.0011 -0.0011 -0.0018 384. (0.00045) RY ( 5) S 5 s( 22.94%)p 1.55( 35.46%)d 1.72( 39.49%) f 0.09( 2.00%)g 0.00( 0.10%) 0.0000 0.0000 -0.0160 0.4753 0.0571 -0.0068 -0.0024 0.0003 0.0001 0.0000 -0.0226 0.4011 0.1522 -0.0037 -0.0014 0.0000 0.0298 -0.1551 0.2274 -0.0213 0.0013 0.0000 0.0494 -0.3003 0.0159 0.0075 -0.0018 -0.1721 -0.0141 -0.0059 0.0005 -0.1230 -0.0739 0.0093 0.0060 0.4841 -0.0808 0.0392 0.0007 0.2198 -0.0957 0.0366 -0.0036 0.2061 -0.0236 0.0044 0.0029 -0.0284 -0.0034 0.0582 -0.0170 -0.0744 -0.0173 -0.0335 0.0209 0.0774 -0.0201 0.0398 0.0075 -0.0087 0.0015 0.0019 -0.0052 0.0237 -0.0142 -0.0001 -0.0006 -0.0058 -0.0064 -0.0116 385. (0.00029) RY ( 6) S 5 s( 5.93%)p 5.13( 30.40%)d10.04( 59.50%) f 0.58( 3.42%)g 0.13( 0.75%) 0.0000 0.0000 0.0112 0.2176 -0.1081 -0.0096 -0.0021 0.0005 0.0001 0.0000 0.0304 0.1540 0.1289 0.0134 -0.0028 0.0000 0.0208 0.4138 0.2452 -0.0128 -0.0009 0.0000 -0.0317 -0.0617 -0.1569 0.0337 -0.0043 -0.1172 -0.0937 -0.0014 0.0025 0.2807 -0.0034 -0.0122 0.0047 0.0168 -0.1274 0.0000 0.0109 -0.4990 0.0761 -0.0194 0.0018 -0.3067 0.3423 -0.1024 0.0041 -0.0293 -0.0998 0.0077 0.0375 -0.0313 -0.0014 0.1162 0.0568 -0.0168 -0.0015 -0.0508 -0.0319 0.0159 0.0109 0.0448 0.0011 0.0596 -0.0022 0.0043 0.0241 -0.0308 -0.0194 -0.0058 386. (0.00023) RY ( 7) S 5 s( 5.58%)p 9.32( 51.98%)d 6.08( 33.89%) f 1.38( 7.68%)g 0.15( 0.86%) 0.0000 0.0000 0.0047 0.1451 0.1857 0.0045 0.0142 -0.0004 -0.0004 0.0000 0.0192 0.5563 -0.1230 0.0379 -0.0020 0.0000 -0.0164 -0.2920 -0.1839 -0.0015 -0.0017 0.0000 -0.0081 0.2207 0.1505 -0.0519 0.0037 0.2249 -0.0757 0.0174 0.0051 0.0576 0.1424 -0.0016 -0.0064 -0.2784 0.1139 0.0108 -0.0018 -0.3445 -0.0539 0.0278 0.0007 0.2106 0.0365 0.0089 0.0015 -0.0779 -0.0446 -0.0305 0.0583 0.0203 -0.0427 0.1631 0.0923 0.0606 -0.1237 0.0510 -0.0363 0.0586 -0.0277 -0.0369 -0.0666 0.0009 -0.0031 -0.0056 0.0181 -0.0370 -0.0309 0.0092 387. (0.00014) RY ( 8) S 5 s( 5.92%)p10.08( 59.70%)d 3.66( 21.64%) f 2.12( 12.58%)g 0.03( 0.16%) 0.0000 0.0000 -0.0008 -0.1428 0.1942 -0.0191 0.0277 0.0001 0.0006 0.0000 0.0065 -0.0106 -0.3568 0.0267 0.0010 0.0000 0.0041 -0.1325 0.1639 -0.0507 -0.0034 0.0000 -0.0177 -0.4948 0.4191 -0.0311 -0.0020 -0.0019 -0.0091 -0.0135 -0.0045 0.1437 0.0295 0.0215 0.0052 -0.0088 0.2512 0.0419 0.0085 0.0429 0.0949 0.0160 0.0074 -0.2627 0.2213 -0.0042 -0.0003 0.0613 -0.0452 0.1711 -0.1732 0.1432 -0.1154 0.0414 -0.0125 0.0377 -0.0701 -0.0758 0.0825 0.0477 -0.0622 -0.0223 -0.0004 0.0126 -0.0120 0.0202 -0.0060 0.0147 0.0053 -0.0081 388. (0.00009) RY ( 9) S 5 s( 8.08%)p 3.84( 31.00%)d 6.53( 52.78%) f 0.95( 7.68%)g 0.06( 0.46%) 389. (0.00005) RY (10) S 5 s( 7.36%)p 4.28( 31.51%)d 5.08( 37.37%) f 3.13( 23.03%)g 0.10( 0.73%) 390. (0.00003) RY (11) S 5 s( 14.31%)p 3.85( 55.14%)d 1.52( 21.68%) f 0.60( 8.56%)g 0.02( 0.31%) 391. (0.00002) RY (12) S 5 s( 13.30%)p 1.33( 17.63%)d 3.29( 43.72%) f 1.83( 24.34%)g 0.08( 1.02%) 392. (0.00002) RY (13) S 5 s( 6.08%)p 6.19( 37.62%)d 5.43( 32.99%) f 3.58( 21.80%)g 0.25( 1.51%) 393. (0.00001) RY (14) S 5 s( 14.19%)p 1.21( 17.22%)d 2.23( 31.63%) f 2.50( 35.43%)g 0.11( 1.52%) 394. (0.00001) RY (15) S 5 s( 2.50%)p 7.68( 19.17%)d21.30( 53.13%) f 9.76( 24.36%)g 0.34( 0.84%) 395. (0.00001) RY (16) S 5 s( 1.44%)p 3.92( 5.63%)d27.95( 40.18%) f35.22( 50.62%)g 1.48( 2.13%) 396. (0.00000) RY (17) S 5 s( 1.31%)p 5.67( 7.43%)d18.88( 24.71%) f15.13( 19.80%)g35.71( 46.75%) 397. (0.00000) RY (18) S 5 s( 0.45%)p 6.86( 3.09%)d84.80( 38.16%) f40.13( 18.06%)g89.46( 40.25%) 398. (0.00000) RY (19) S 5 s( 0.61%)p16.78( 10.30%)d45.23( 27.74%) f49.31( 30.25%)g50.69( 31.10%) 399. (0.00000) RY (20) S 5 s( 2.45%)p 0.53( 1.31%)d 6.79( 16.65%) f19.56( 47.96%)g12.90( 31.63%) 400. (0.00000) RY (21) S 5 s( 0.59%)p11.26( 6.65%)d56.82( 33.55%) f53.58( 31.63%)g46.72( 27.58%) 401. (0.00000) RY (22) S 5 s( 0.34%)p31.24( 10.68%)d57.53( 19.67%) f99.99( 43.42%)g75.70( 25.88%) 402. (0.00000) RY (23) S 5 s( 7.74%)p 1.00( 7.73%)d 3.60( 27.89%) f 4.50( 34.87%)g 2.81( 21.78%) 403. (0.00000) RY (24) S 5 s( 3.49%)p 0.60( 2.08%)d 5.47( 19.09%) f 7.97( 27.79%)g13.63( 47.54%) 404. (0.00000) RY (25) S 5 s( 0.48%)p 7.34( 3.55%)d33.09( 15.98%) f44.17( 21.33%)g99.99( 58.67%) 405. (0.00000) RY (26) S 5 s( 5.87%)p 3.55( 20.83%)d 4.47( 26.27%) f 5.67( 33.29%)g 2.34( 13.74%) 406. (0.00000) RY (27) S 5 s( 14.67%)p 0.92( 13.53%)d 1.75( 25.67%) f 2.19( 32.09%)g 0.96( 14.05%) 407. (0.00000) RY (28) S 5 s( 1.25%)p12.29( 15.35%)d26.90( 33.60%) f18.28( 22.84%)g21.59( 26.97%) 408. (0.00000) RY (29) S 5 s( 18.21%)p 0.33( 6.05%)d 1.61( 29.26%) f 1.63( 29.76%)g 0.92( 16.72%) 409. (0.00000) RY (30) S 5 s( 2.06%)p 6.54( 13.47%)d 7.83( 16.11%) f15.53( 31.97%)g17.68( 36.39%) 410. (0.00000) RY (31) S 5 s( 2.56%)p 7.73( 19.79%)d10.31( 26.38%) f12.43( 31.81%)g 7.60( 19.46%) 411. (0.00000) RY (32) S 5 s( 7.76%)p 6.08( 47.20%)d 3.39( 26.29%) f 1.80( 13.95%)g 0.62( 4.81%) 412. (0.00000) RY (33) S 5 s( 4.96%)p 4.65( 23.05%)d 5.19( 25.73%) f 6.62( 32.84%)g 2.70( 13.41%) 413. (0.00000) RY (34) S 5 s( 8.41%)p 3.00( 25.20%)d 4.32( 36.37%) f 2.02( 16.96%)g 1.55( 13.06%) 414. (0.00000) RY (35) S 5 s( 2.79%)p 2.24( 6.24%)d11.75( 32.76%) f 8.88( 24.76%)g11.99( 33.45%) 415. (0.00000) RY (36) S 5 s( 3.79%)p 5.41( 20.50%)d 6.42( 24.32%) f 9.30( 35.28%)g 4.25( 16.11%) 416. (0.00000) RY (37) S 5 s( 3.97%)p 1.30( 5.15%)d 4.39( 17.45%) f15.60( 62.02%)g 2.87( 11.41%) 417. (0.00000) RY (38) S 5 s( 6.08%)p 1.97( 11.97%)d 5.32( 32.31%) f 7.37( 44.79%)g 0.80( 4.85%) 418. (0.00000) RY (39) S 5 s( 10.25%)p 2.57( 26.37%)d 2.52( 25.83%) f 3.57( 36.63%)g 0.09( 0.91%) 419. (0.00000) RY (40) S 5 s( 0.46%)p27.14( 12.42%)d99.99( 45.89%) f66.94( 30.63%)g23.18( 10.61%) 420. (0.00000) RY (41) S 5 s( 6.02%)p 2.63( 15.85%)d 5.21( 31.36%) f 7.21( 43.39%)g 0.56( 3.38%) 421. (0.00000) RY (42) S 5 s( 11.50%)p 2.04( 23.40%)d 2.74( 31.55%) f 2.49( 28.57%)g 0.43( 4.98%) 422. (0.00000) RY (43) S 5 s( 3.15%)p 6.11( 19.24%)d15.29( 48.15%) f 7.86( 24.74%)g 1.50( 4.73%) 423. (0.00000) RY (44) S 5 s( 5.23%)p 0.51( 2.68%)d14.32( 74.81%) f 3.02( 15.79%)g 0.29( 1.50%) 424. (0.00000) RY (45) S 5 s( 5.25%)p 1.72( 9.03%)d11.86( 62.31%) f 4.14( 21.77%)g 0.31( 1.64%) 425. (0.00000) RY (46) S 5 s( 22.36%)p 0.97( 21.58%)d 1.14( 25.45%) f 1.29( 28.86%)g 0.08( 1.75%) 426. (0.00000) RY (47) S 5 s( 4.66%)p 5.54( 25.83%)d 4.08( 19.00%) f10.38( 48.39%)g 0.45( 2.12%) 427. (0.00000) RY (48) S 5 s( 98.90%)p 0.01( 0.79%)d 0.00( 0.12%) f 0.00( 0.11%)g 0.00( 0.07%) 428. (0.00000) RY (49) S 5 s( 89.34%)p 0.06( 5.43%)d 0.04( 3.91%) f 0.01( 0.83%)g 0.01( 0.48%) 429. (0.00000) RY (50) S 5 s( 4.75%)p11.91( 56.62%)d 6.99( 33.22%) f 0.55( 2.62%)g 0.59( 2.80%) 430. (0.00000) RY (51) S 5 s( 14.61%)p 4.57( 66.68%)d 0.61( 8.94%) f 0.18( 2.70%)g 0.48( 7.08%) 431. (0.00000) RY (52) S 5 s( 31.93%)p 1.13( 36.11%)d 0.79( 25.36%) f 0.15( 4.78%)g 0.06( 1.82%) 432. (0.00000) RY (53) S 5 s( 28.67%)p 1.25( 35.75%)d 0.96( 27.41%) f 0.11( 3.09%)g 0.18( 5.09%) 433. (0.00000) RY (54) S 5 s( 3.22%)p 9.38( 30.19%)d 9.31( 29.96%) f 3.51( 11.30%)g 7.87( 25.34%) 434. (0.00000) RY (55) S 5 s( 17.56%)p 1.68( 29.41%)d 0.53( 9.23%) f 0.58( 10.16%)g 1.92( 33.64%) 435. (0.00000) RY (56) S 5 s( 1.55%)p 5.45( 8.43%)d20.04( 31.00%) f12.71( 19.66%)g25.45( 39.37%) 436. (0.00000) RY (57) S 5 s( 1.06%)p 3.85( 4.08%)d19.10( 20.24%) f36.00( 38.15%)g34.41( 36.46%) 437. (0.00000) RY (58) S 5 s( 5.49%)p 0.71( 3.88%)d 3.29( 18.05%) f 6.89( 37.79%)g 6.34( 34.79%) 438. (0.00000) RY (59) S 5 s( 1.04%)p 4.56( 4.75%)d11.22( 11.67%) f14.07( 14.63%)g65.32( 67.92%) 439. (0.00000) RY (60) S 5 s( 7.02%)p 0.78( 5.48%)d 6.95( 48.79%) f 2.80( 19.66%)g 2.72( 19.05%) 440. (0.00000) RY (61) S 5 s( 5.75%)p 0.73( 4.21%)d 4.42( 25.43%) f 6.41( 36.89%)g 4.82( 27.72%) 441. (0.00561) RY ( 1) S 6 s( 3.86%)p 5.01( 19.35%)d19.58( 75.65%) f 0.28( 1.06%)g 0.02( 0.07%) 0.0000 0.0000 -0.0045 0.1965 0.0023 0.0016 0.0008 -0.0001 0.0000 0.0000 0.0372 0.1133 0.0136 -0.0071 0.0002 0.0000 -0.0057 -0.4105 0.0351 0.0072 -0.0001 0.0000 -0.0154 0.0919 -0.0218 -0.0046 0.0003 0.2644 0.0432 -0.0009 -0.0010 -0.4833 -0.1153 -0.0041 0.0002 0.2394 0.0567 0.0017 -0.0009 0.5851 0.1184 0.0110 -0.0011 -0.1435 -0.0142 0.0003 -0.0002 -0.0023 -0.0199 0.0233 0.0474 -0.0010 -0.0201 -0.0073 -0.0368 -0.0247 -0.0322 -0.0543 -0.0278 0.0005 0.0159 0.0121 0.0096 -0.0037 0.0055 0.0083 -0.0039 -0.0072 0.0179 0.0027 442. (0.00236) RY ( 2) S 6 s( 0.51%)p20.48( 10.37%)d99.99( 84.88%) f 7.90( 4.00%)g 0.47( 0.24%) 0.0000 0.0000 0.0016 0.0711 -0.0005 -0.0031 0.0011 0.0003 0.0001 0.0000 -0.0727 0.1837 0.0143 0.0066 0.0004 0.0000 -0.0049 0.2210 0.0513 -0.0036 0.0004 0.0000 0.0243 0.1096 0.0147 -0.0100 -0.0006 0.7807 0.1306 0.0011 -0.0024 -0.1544 0.0111 0.0031 0.0010 -0.3618 -0.0416 -0.0163 0.0048 -0.2453 -0.0312 -0.0217 0.0021 0.0110 -0.0597 0.0087 0.0007 -0.0445 0.0266 0.0424 -0.0356 0.0454 0.0382 0.0695 0.0664 -0.0360 -0.0192 -0.0411 -0.0497 -0.0955 -0.0810 -0.0178 0.0130 -0.0002 -0.0181 -0.0003 0.0103 0.0112 0.0245 0.0273 443. (0.00163) RY ( 3) S 6 s( 5.39%)p10.01( 53.94%)d 7.23( 38.96%) f 0.31( 1.65%)g 0.01( 0.05%) 0.0000 0.0000 0.0048 0.2320 0.0062 -0.0054 -0.0020 0.0001 0.0002 0.0000 -0.0457 -0.0621 0.0141 0.0309 0.0003 0.0000 0.0008 -0.3178 0.0373 0.0071 0.0004 0.0000 0.0021 -0.6449 -0.1184 0.0028 0.0003 0.0113 0.0159 0.0066 0.0010 -0.2246 0.1322 -0.0381 0.0022 -0.1109 -0.0714 -0.0145 0.0007 -0.1748 -0.0580 -0.0125 -0.0010 0.4644 0.2280 0.0206 -0.0028 0.0156 -0.0512 -0.0458 0.0391 0.0238 0.0582 0.0453 -0.0017 -0.0382 0.0148 -0.0216 0.0133 0.0084 -0.0407 -0.0055 -0.0146 -0.0092 -0.0046 0.0028 0.0101 0.0052 0.0053 -0.0023 444. (0.00135) RY ( 4) S 6 s( 1.05%)p32.50( 34.15%)d59.77( 62.80%) f 1.78( 1.87%)g 0.12( 0.12%) 0.0000 0.0000 -0.0067 0.1023 0.0008 -0.0001 0.0022 -0.0002 0.0000 0.0000 0.0456 -0.4822 -0.0502 0.0102 0.0001 0.0000 0.0062 -0.2829 0.0454 0.0000 0.0008 0.0000 0.0038 -0.1073 0.1026 -0.0039 0.0007 0.3607 0.1007 -0.0152 -0.0016 0.5887 0.2375 -0.0131 0.0013 0.0090 0.0304 0.0016 -0.0003 0.1870 0.1516 -0.0054 -0.0007 -0.0431 -0.1531 0.0119 0.0003 0.0281 0.0658 -0.0253 -0.0185 -0.0221 -0.0035 -0.0312 -0.0818 0.0382 0.0130 -0.0052 -0.0476 -0.0181 -0.0141 0.0041 -0.0091 0.0104 0.0007 -0.0225 0.0115 -0.0122 0.0123 0.0097 445. (0.00056) RY ( 5) S 6 s( 35.86%)p 0.56( 19.96%)d 1.16( 41.75%) f 0.06( 2.07%)g 0.01( 0.37%) 0.0000 0.0000 -0.0085 0.5955 0.0618 0.0062 0.0010 0.0003 0.0004 0.0000 0.0677 0.0157 0.1584 0.0112 0.0002 0.0000 -0.0057 0.3519 0.1331 0.0095 -0.0002 0.0000 -0.0025 -0.1438 -0.0749 -0.0394 -0.0006 -0.2408 0.1989 -0.0108 0.0012 0.0876 -0.0379 -0.0234 -0.0010 -0.3726 -0.1290 -0.0048 0.0043 0.3301 -0.0706 0.0219 -0.0006 -0.1943 -0.0496 0.0000 0.0027 0.0180 0.0647 0.0486 0.0215 0.0741 0.0243 -0.0105 0.0094 0.0100 -0.0549 -0.0140 -0.0406 0.0336 0.0314 -0.0108 -0.0217 0.0051 -0.0309 0.0255 0.0224 -0.0093 -0.0051 -0.0295 446. (0.00032) RY ( 6) S 6 s( 1.02%)p15.20( 15.50%)d75.37( 76.89%) f 6.15( 6.27%)g 0.31( 0.31%) 0.0000 0.0000 0.0107 -0.0201 0.0979 0.0103 -0.0007 0.0008 -0.0002 0.0000 0.0028 0.2929 -0.0862 -0.0109 0.0004 0.0000 0.0229 -0.0077 -0.0119 0.0068 0.0000 0.0000 -0.0052 -0.1252 -0.2118 -0.0187 0.0005 0.2052 -0.0669 0.0286 0.0040 0.4491 -0.4398 0.0327 -0.0018 0.1590 -0.1707 -0.0051 -0.0008 0.1178 -0.1031 0.0322 -0.0135 -0.0621 0.4909 -0.0150 0.0091 0.1734 -0.1262 0.0174 -0.0128 -0.0059 0.0651 -0.0230 0.0372 -0.0589 -0.0231 -0.0532 0.0382 -0.0367 0.0207 -0.0193 0.0172 -0.0214 0.0201 0.0040 -0.0078 0.0110 -0.0305 0.0218 447. (0.00024) RY ( 7) S 6 s( 0.34%)p99.99( 41.94%)d99.99( 51.71%) f17.07( 5.80%)g 0.63( 0.21%) 0.0000 0.0000 0.0099 0.0543 -0.0136 -0.0129 0.0021 -0.0005 0.0000 0.0000 -0.0208 0.5765 0.1426 0.0007 0.0006 0.0000 0.0141 -0.1509 0.1585 -0.0081 0.0004 0.0000 0.0081 0.0589 0.1202 -0.0092 0.0009 -0.0752 0.4046 -0.0346 0.0057 0.2626 0.0270 -0.0238 -0.0023 0.2018 -0.0085 0.0167 -0.0075 -0.0323 0.0556 0.0147 -0.0009 0.3688 -0.3076 0.0113 -0.0048 -0.0378 0.0758 -0.0028 0.0084 0.0429 -0.0507 -0.0071 -0.0882 0.0250 -0.0560 0.1624 -0.0778 -0.0326 0.0354 -0.0029 -0.0093 0.0146 0.0101 0.0164 0.0359 -0.0088 -0.0095 -0.0020 448. (0.00022) RY ( 8) S 6 s( 5.49%)p 2.23( 12.27%)d13.86( 76.08%) f 1.09( 5.97%)g 0.03( 0.19%) 0.0000 0.0000 0.0135 0.2335 0.0133 -0.0010 -0.0001 -0.0004 0.0003 0.0000 -0.0127 -0.1278 -0.0943 0.0245 0.0008 0.0000 0.0226 0.2324 0.1678 -0.0107 -0.0002 0.0000 -0.0471 -0.1064 -0.0157 0.0119 -0.0005 0.0979 0.1394 -0.0329 0.0025 -0.1246 0.1903 -0.0118 -0.0054 0.6512 -0.3031 0.0807 -0.0173 -0.2696 -0.1483 0.0085 -0.0005 -0.2440 -0.0042 -0.0401 0.0122 0.0186 0.0109 0.0492 0.0009 0.0202 -0.0777 -0.1440 0.0475 -0.0716 0.0056 0.0928 -0.0977 -0.0049 -0.0637 0.0050 -0.0159 -0.0173 0.0092 0.0282 0.0158 0.0019 -0.0102 -0.0079 449. (0.00019) RY ( 9) S 6 s( 1.52%)p20.35( 30.82%)d41.43( 62.77%) f 3.01( 4.57%)g 0.22( 0.33%) 0.0000 0.0000 0.0043 0.1089 -0.0560 -0.0115 -0.0032 -0.0006 0.0001 0.0000 -0.0066 0.2957 0.1025 0.0147 -0.0014 0.0000 -0.0223 -0.2407 -0.2888 0.0367 -0.0017 0.0000 -0.0142 -0.1131 -0.2269 0.0484 -0.0007 -0.0598 0.0316 -0.0064 -0.0069 0.0449 0.2436 -0.0907 0.0013 -0.0858 0.0757 -0.0128 0.0020 -0.3043 0.3746 -0.0450 0.0181 -0.5452 0.0873 -0.0049 -0.0015 0.0537 0.0139 -0.0706 0.0152 -0.0436 -0.0094 0.0549 -0.0838 0.0478 0.0066 0.0957 -0.0411 -0.0762 0.0796 0.0154 -0.0190 -0.0008 -0.0053 0.0085 0.0102 -0.0454 0.0156 -0.0128 450. (0.00012) RY (10) S 6 s( 4.08%)p 4.78( 19.49%)d16.38( 66.82%) f 2.23( 9.08%)g 0.13( 0.53%) 0.0000 0.0000 0.0043 0.0589 0.1814 0.0663 -0.0036 -0.0016 -0.0005 0.0000 -0.0082 -0.0044 0.0819 -0.0575 0.0027 0.0000 0.0106 0.3247 -0.1280 0.0076 -0.0012 0.0000 -0.0039 -0.2226 0.1076 -0.0410 0.0039 0.1002 -0.3819 0.0127 -0.0121 -0.0246 -0.1951 0.0142 0.0046 0.1418 -0.1334 -0.0499 -0.0013 0.0509 0.5912 0.0088 0.0189 0.1792 -0.2178 0.0202 -0.0134 0.0050 0.0056 -0.1350 0.1241 -0.0090 0.0105 0.0200 -0.0132 -0.0585 -0.0267 0.1798 -0.0901 -0.0323 0.1036 0.0087 0.0423 0.0122 0.0025 0.0002 -0.0490 0.0150 -0.0189 -0.0173 451. (0.00006) RY (11) S 6 s( 8.43%)p 2.51( 21.12%)d 6.50( 54.81%) f 1.79( 15.12%)g 0.06( 0.52%) 452. (0.00004) RY (12) S 6 s( 16.86%)p 1.93( 32.54%)d 1.81( 30.56%) f 1.11( 18.79%)g 0.07( 1.25%) 453. (0.00003) RY (13) S 6 s( 3.39%)p11.24( 38.12%)d12.49( 42.34%) f 4.57( 15.50%)g 0.19( 0.65%) 454. (0.00003) RY (14) S 6 s( 11.06%)p 3.77( 41.72%)d 3.17( 35.05%) f 1.07( 11.83%)g 0.03( 0.34%) 455. (0.00002) RY (15) S 6 s( 13.02%)p 0.88( 11.52%)d 0.96( 12.52%) f 4.60( 59.97%)g 0.23( 2.97%) 456. (0.00002) RY (16) S 6 s( 2.13%)p15.08( 32.20%)d19.83( 42.33%) f10.41( 22.23%)g 0.52( 1.11%) 457. (0.00001) RY (17) S 6 s( 1.71%)p16.78( 28.65%)d12.69( 21.66%) f25.60( 43.71%)g 2.51( 4.28%) 458. (0.00001) RY (18) S 6 s( 5.96%)p 3.34( 19.91%)d 1.33( 7.92%) f10.80( 64.33%)g 0.32( 1.88%) 459. (0.00001) RY (19) S 6 s( 9.04%)p 2.07( 18.73%)d 2.42( 21.85%) f 5.00( 45.22%)g 0.57( 5.16%) 460. (0.00001) RY (20) S 6 s( 0.42%)p 9.05( 3.80%)d45.51( 19.13%) f99.99( 73.11%)g 8.43( 3.54%) 461. (0.00000) RY (21) S 6 s( 2.44%)p 3.60( 8.80%)d 6.31( 15.40%) f19.00( 46.41%)g11.03( 26.94%) 462. (0.00000) RY (22) S 6 s( 0.83%)p14.20( 11.76%)d39.95( 33.08%) f31.46( 26.05%)g34.17( 28.29%) 463. (0.00000) RY (23) S 6 s( 17.32%)p 0.40( 6.88%)d 2.07( 35.92%) f 1.37( 23.77%)g 0.93( 16.11%) 464. (0.00000) RY (24) S 6 s( 1.07%)p 6.10( 6.50%)d28.05( 29.88%) f30.40( 32.38%)g28.32( 30.17%) 465. (0.00000) RY (25) S 6 s( 5.99%)p 3.30( 19.76%)d 2.59( 15.50%) f 3.80( 22.73%)g 6.01( 36.01%) 466. (0.00000) RY (26) S 6 s( 3.44%)p 6.38( 21.93%)d 6.94( 23.87%) f 3.74( 12.86%)g11.03( 37.90%) 467. (0.00000) RY (27) S 6 s( 20.94%)p 0.25( 5.24%)d 0.60( 12.55%) f 2.28( 47.85%)g 0.64( 13.42%) 468. (0.00000) RY (28) S 6 s( 4.31%)p 3.28( 14.14%)d 2.67( 11.53%) f10.75( 46.36%)g 5.48( 23.66%) 469. (0.00000) RY (29) S 6 s( 2.47%)p 9.14( 22.58%)d13.95( 34.48%) f10.61( 26.22%)g 5.77( 14.25%) 470. (0.00000) RY (30) S 6 s( 4.02%)p 2.13( 8.56%)d 8.81( 35.42%) f 9.16( 36.84%)g 3.77( 15.16%) 471. (0.00000) RY (31) S 6 s( 3.99%)p 1.85( 7.38%)d 4.94( 19.71%) f 9.44( 37.63%)g 7.85( 31.29%) 472. (0.00000) RY (32) S 6 s( 3.41%)p 8.38( 28.63%)d 5.31( 18.15%) f 7.11( 24.26%)g 7.48( 25.54%) 473. (0.00000) RY (33) S 6 s( 1.15%)p 9.32( 10.73%)d34.53( 39.75%) f34.61( 39.84%)g 7.42( 8.54%) 474. (0.00000) RY (34) S 6 s( 9.37%)p 2.79( 26.16%)d 3.79( 35.52%) f 2.21( 20.72%)g 0.88( 8.22%) 475. (0.00000) RY (35) S 6 s( 0.95%)p16.40( 15.64%)d41.53( 39.62%) f36.43( 34.75%)g 9.46( 9.03%) 476. (0.00000) RY (36) S 6 s( 2.34%)p11.19( 26.21%)d20.82( 48.76%) f 8.01( 18.76%)g 1.68( 3.93%) 477. (0.00000) RY (37) S 6 s( 1.78%)p 4.07( 7.25%)d21.07( 37.50%) f25.76( 45.85%)g 4.28( 7.62%) 478. (0.00000) RY (38) S 6 s( 0.98%)p14.56( 14.26%)d54.73( 53.61%) f25.30( 24.78%)g 6.51( 6.37%) 479. (0.00000) RY (39) S 6 s( 5.72%)p 1.44( 8.23%)d 6.45( 36.85%) f 7.31( 41.79%)g 1.30( 7.41%) 480. (0.00000) RY (40) S 6 s( 5.63%)p 3.38( 19.02%)d 4.36( 24.51%) f 8.53( 47.98%)g 0.51( 2.87%) 481. (0.00000) RY (41) S 6 s( 5.22%)p 5.26( 27.47%)d 3.62( 18.91%) f 7.35( 38.41%)g 1.91( 9.99%) 482. (0.00000) RY (42) S 6 s( 5.92%)p 1.93( 11.41%)d 3.04( 17.98%) f10.38( 61.39%)g 0.56( 3.30%) 483. (0.00000) RY (43) S 6 s( 36.73%)p 0.68( 24.98%)d 0.46( 17.06%) f 0.54( 19.79%)g 0.04( 1.45%) 484. (0.00000) RY (44) S 6 s( 97.44%)p 0.02( 2.08%)d 0.00( 0.29%) f 0.00( 0.05%)g 0.00( 0.13%) 485. (0.00000) RY (45) S 6 s( 91.09%)p 0.08( 7.53%)d 0.01( 0.53%) f 0.00( 0.16%)g 0.01( 0.69%) 486. (0.00000) RY (46) S 6 s( 8.09%)p10.21( 82.58%)d 0.76( 6.12%) f 0.05( 0.43%)g 0.34( 2.78%) 487. (0.00000) RY (47) S 6 s( 7.25%)p 3.36( 24.32%)d 8.23( 59.64%) f 0.25( 1.81%)g 0.96( 6.98%) 488. (0.00000) RY (48) S 6 s( 17.05%)p 3.62( 61.68%)d 0.72( 12.29%) f 0.10( 1.78%)g 0.42( 7.21%) 489. (0.00000) RY (49) S 6 s( 29.92%)p 0.72( 21.40%)d 0.91( 27.29%) f 0.20( 6.09%)g 0.51( 15.31%) 490. (0.00000) RY (50) S 6 s( 14.79%)p 0.09( 1.29%)d 0.56( 8.30%) f 0.84( 12.47%)g 4.27( 63.15%) 491. (0.00000) RY (51) S 6 s( 5.09%)p 7.70( 39.17%)d 5.44( 27.67%) f 2.47( 12.57%)g 3.05( 15.50%) 492. (0.00000) RY (52) S 6 s( 10.50%)p 0.79( 8.31%)d 0.88( 9.24%) f 0.65( 6.83%)g 6.20( 65.11%) 493. (0.00000) RY (53) S 6 s( 2.58%)p13.37( 34.54%)d10.99( 28.38%) f 2.32( 5.98%)g11.04( 28.51%) 494. (0.00000) RY (54) S 6 s( 8.92%)p 0.77( 6.83%)d 2.35( 20.95%) f 2.38( 21.24%)g 4.72( 42.05%) 495. (0.00000) RY (55) S 6 s( 3.14%)p 2.30( 7.24%)d 6.73( 21.15%) f 4.01( 12.61%)g17.76( 55.86%) 496. (0.00000) RY (56) S 6 s( 0.88%)p 8.86( 7.84%)d61.37( 54.25%) f29.78( 26.33%)g12.11( 10.71%) 497. (0.00000) RY (57) S 6 s( 5.04%)p 1.04( 5.24%)d 5.87( 29.60%) f 2.68( 13.53%)g 9.24( 46.59%) 498. (0.00000) RY (58) S 6 s( 6.70%)p 1.43( 9.61%)d 3.52( 23.57%) f 1.26( 8.47%)g 7.71( 51.66%) 499. (0.00000) RY (59) S 6 s( 2.29%)p 1.73( 3.97%)d 6.25( 14.33%) f12.66( 29.04%)g21.96( 50.36%) 500. (0.00000) RY (60) S 6 s( 8.36%)p 0.99( 8.25%)d 4.16( 34.77%) f 3.99( 33.31%)g 1.83( 15.31%) 501. (0.00000) RY (61) S 6 s( 3.61%)p 2.94( 10.62%)d10.46( 37.73%) f 4.88( 17.59%)g 8.44( 30.46%) 502. (0.00127) RY ( 1) C 7 s( 44.90%)p 0.96( 43.31%)d 0.24( 10.86%) f 0.02( 0.72%)g 0.00( 0.21%) 0.0000 0.0123 0.6686 -0.0417 -0.0043 -0.0024 0.0013 -0.0057 -0.1837 0.0542 -0.0097 0.0039 0.1550 -0.0144 0.0052 -0.0269 0.6073 -0.0463 -0.0182 0.0667 0.0054 0.0078 -0.0229 -0.0541 0.0075 -0.0560 0.0616 -0.0083 -0.0816 0.0120 -0.0055 -0.2328 0.1803 0.0042 0.0689 -0.0294 0.0141 0.0010 0.0105 -0.0038 0.0076 0.0073 -0.0021 -0.0141 -0.0022 0.0011 0.0292 -0.0119 -0.0037 -0.0293 0.0170 -0.0123 0.0221 -0.0012 0.0157 -0.0004 0.0032 503. (0.00052) RY ( 2) C 7 s( 13.40%)p 4.29( 57.41%)d 1.89( 25.31%) f 0.27( 3.68%)g 0.02( 0.21%) 0.0000 0.0112 0.3536 -0.0930 -0.0051 0.0121 -0.0011 -0.0230 0.4752 -0.2083 0.0182 0.0098 -0.5271 0.0963 -0.0037 -0.0194 -0.0275 -0.1210 -0.0317 -0.1520 -0.0143 -0.0264 -0.3252 0.1600 0.0214 0.2098 -0.1500 -0.0098 0.0593 -0.0026 0.0130 -0.0801 -0.1398 0.0328 -0.0874 0.0465 0.0932 -0.0088 -0.1097 0.0251 0.0231 -0.0061 -0.0509 0.0246 0.0113 -0.0030 0.0357 0.0189 0.0052 -0.0400 0.0158 -0.0068 0.0064 0.0003 0.0011 0.0058 0.0079 504. (0.00027) RY ( 3) C 7 s( 1.32%)p51.34( 68.02%)d20.74( 27.48%) f 2.32( 3.08%)g 0.08( 0.10%) 0.0000 0.0009 0.1129 -0.0224 -0.0004 0.0007 0.0004 -0.0085 0.5239 -0.0393 0.0120 -0.0142 0.6158 -0.1185 0.0364 -0.0059 -0.0954 0.0005 0.0053 -0.0242 0.1021 -0.0076 0.1365 0.0752 0.0225 0.3916 0.0993 0.0346 -0.1771 0.2018 -0.0228 0.0153 -0.0391 0.0112 0.0052 0.0012 -0.0330 -0.0202 -0.0523 -0.0388 0.1190 -0.0462 0.0376 -0.0276 0.0787 -0.0177 0.0045 0.0013 -0.0043 -0.0076 0.0059 -0.0189 -0.0125 -0.0149 -0.0061 -0.0119 0.0034 505. (0.00018) RY ( 4) C 7 s( 4.30%)p 5.23( 22.51%)d15.97( 68.69%) f 0.99( 4.24%)g 0.06( 0.27%) 0.0000 -0.0054 0.1924 -0.0753 0.0149 -0.0076 0.0018 0.0043 -0.2182 0.3427 -0.0169 -0.0071 -0.0928 -0.1148 0.0200 -0.0067 -0.1090 -0.1553 0.0382 0.3248 0.0553 0.0189 -0.2377 -0.1002 -0.0011 0.3579 -0.0646 0.0035 -0.2269 -0.0884 -0.0042 0.5597 -0.0704 0.0412 0.0056 -0.0228 -0.1034 0.0190 -0.0067 0.0075 0.0885 0.0033 -0.1168 -0.0065 0.0237 0.0030 -0.0925 0.0024 -0.0363 0.0046 -0.0152 -0.0091 0.0048 -0.0218 0.0222 -0.0040 -0.0034 506. (0.00011) RY ( 5) C 7 s( 3.13%)p11.84( 37.09%)d17.25( 54.03%) f 1.79( 5.61%)g 0.05( 0.14%) 0.0000 -0.0014 0.1714 0.0394 0.0152 -0.0126 0.0025 0.0264 0.4939 0.2665 -0.0482 -0.0042 -0.1564 0.0249 0.0250 -0.0028 -0.1491 0.0662 0.0226 0.3014 -0.0222 0.0237 0.1364 -0.1347 -0.0181 -0.5610 0.1425 -0.0243 -0.2487 0.0270 -0.0047 0.0882 0.0713 -0.0161 0.0592 -0.0251 0.0264 -0.0034 0.1886 -0.0139 -0.0526 0.0074 -0.0045 -0.0044 -0.0563 0.0052 -0.0964 -0.0108 -0.0117 0.0098 -0.0120 -0.0021 0.0169 0.0184 -0.0166 0.0062 -0.0110 507. (0.00009) RY ( 6) C 7 s( 0.72%)p29.98( 21.61%)d94.45( 68.09%) f12.83( 9.25%)g 0.45( 0.32%) 508. (0.00008) RY ( 7) C 7 s( 5.87%)p 4.44( 26.09%)d10.24( 60.16%) f 1.32( 7.75%)g 0.02( 0.12%) 509. (0.00005) RY ( 8) C 7 s( 5.86%)p 8.63( 50.60%)d 6.97( 40.87%) f 0.42( 2.48%)g 0.03( 0.19%) 510. (0.00002) RY ( 9) C 7 s( 5.89%)p 2.13( 12.55%)d 9.62( 56.60%) f 3.91( 23.00%)g 0.33( 1.97%) 511. (0.00002) RY (10) C 7 s( 9.15%)p 1.40( 12.80%)d 4.09( 37.41%) f 4.11( 37.62%)g 0.33( 3.02%) 512. (0.00001) RY (11) C 7 s( 6.17%)p 6.06( 37.42%)d 6.05( 37.32%) f 2.76( 17.06%)g 0.33( 2.02%) 513. (0.00001) RY (12) C 7 s( 0.28%)p99.99( 52.85%)d99.99( 34.57%) f36.00( 10.17%)g 7.53( 2.13%) 514. (0.00001) RY (13) C 7 s( 3.46%)p13.78( 47.69%)d 9.42( 32.58%) f 4.15( 14.36%)g 0.55( 1.90%) 515. (0.00001) RY (14) C 7 s( 0.96%)p22.34( 21.41%)d50.85( 48.73%) f28.30( 27.12%)g 1.85( 1.77%) 516. (0.00000) RY (15) C 7 s( 4.79%)p 1.92( 9.19%)d 6.45( 30.90%) f11.18( 53.57%)g 0.32( 1.55%) 517. (0.00000) RY (16) C 7 s( 36.44%)p 0.13( 4.62%)d 0.53( 19.46%) f 1.06( 38.79%)g 0.02( 0.70%) 518. (0.00000) RY (17) C 7 s( 4.61%)p 0.17( 0.79%)d 1.85( 8.53%) f 8.40( 38.70%)g10.28( 47.37%) 519. (0.00000) RY (18) C 7 s( 4.83%)p 2.86( 13.79%)d 2.36( 11.41%) f 5.75( 27.78%)g 8.73( 42.19%) 520. (0.00000) RY (19) C 7 s( 19.35%)p 0.05( 0.99%)d 0.42( 8.06%) f 2.39( 46.25%)g 1.31( 25.36%) 521. (0.00000) RY (20) C 7 s( 1.75%)p 0.34( 0.60%)d16.40( 28.74%) f14.05( 24.62%)g25.28( 44.30%) 522. (0.00000) RY (21) C 7 s( 2.06%)p 7.31( 15.04%)d28.59( 58.77%) f 6.75( 13.88%)g 4.99( 10.26%) 523. (0.00000) RY (22) C 7 s( 25.92%)p 0.14( 3.66%)d 0.70( 18.15%) f 0.72( 18.77%)g 1.29( 33.50%) 524. (0.00000) RY (23) C 7 s( 2.52%)p 3.76( 9.45%)d10.99( 27.66%) f 5.11( 12.85%)g18.89( 47.52%) 525. (0.00000) RY (24) C 7 s( 22.50%)p 0.98( 22.12%)d 1.02( 22.96%) f 1.01( 22.73%)g 0.43( 9.70%) 526. (0.00000) RY (25) C 7 s( 12.76%)p 1.17( 14.88%)d 1.30( 16.61%) f 2.25( 28.74%)g 2.12( 27.02%) 527. (0.00000) RY (26) C 7 s( 11.57%)p 2.18( 25.22%)d 2.64( 30.52%) f 2.06( 23.86%)g 0.76( 8.83%) 528. (0.00000) RY (27) C 7 s( 19.37%)p 0.60( 11.53%)d 1.07( 20.81%) f 0.57( 11.07%)g 1.92( 37.22%) 529. (0.00000) RY (28) C 7 s( 7.14%)p 3.85( 27.49%)d 3.18( 22.72%) f 3.46( 24.72%)g 2.51( 17.93%) 530. (0.00000) RY (29) C 7 s( 14.34%)p 1.68( 24.09%)d 1.30( 18.65%) f 1.15( 16.44%)g 1.85( 26.49%) 531. (0.00000) RY (30) C 7 s( 5.86%)p 3.09( 18.11%)d 5.37( 31.47%) f 4.00( 23.44%)g 3.61( 21.12%) 532. (0.00000) RY (31) C 7 s( 5.35%)p 5.82( 31.18%)d 3.47( 18.55%) f 4.25( 22.74%)g 4.14( 22.18%) 533. (0.00000) RY (32) C 7 s( 7.61%)p 1.11( 8.45%)d 3.85( 29.32%) f 4.45( 33.89%)g 2.72( 20.73%) 534. (0.00000) RY (33) C 7 s( 7.80%)p 1.57( 12.24%)d 3.07( 23.97%) f 5.26( 40.98%)g 1.93( 15.01%) 535. (0.00000) RY (34) C 7 s( 20.17%)p 0.29( 5.86%)d 0.69( 13.90%) f 2.82( 56.82%)g 0.16( 3.25%) 536. (0.00000) RY (35) C 7 s( 4.71%)p 2.51( 11.85%)d 6.50( 30.63%) f 9.08( 42.81%)g 2.12( 10.01%) 537. (0.00000) RY (36) C 7 s( 4.60%)p 1.30( 5.97%)d11.83( 54.45%) f 4.98( 22.94%)g 2.62( 12.04%) 538. (0.00000) RY (37) C 7 s( 6.87%)p 1.35( 9.24%)d 9.84( 67.54%) f 1.90( 13.08%)g 0.48( 3.27%) 539. (0.00000) RY (38) C 7 s( 8.15%)p 0.90( 7.36%)d 4.97( 40.51%) f 3.97( 32.39%)g 1.42( 11.59%) 540. (0.00000) RY (39) C 7 s( 1.53%)p 3.21( 4.91%)d20.52( 31.33%) f30.71( 46.88%)g10.06( 15.36%) 541. (0.00000) RY (40) C 7 s( 1.81%)p25.28( 45.71%)d16.22( 29.34%) f11.60( 20.98%)g 1.19( 2.16%) 542. (0.00000) RY (41) C 7 s( 7.42%)p 1.15( 8.52%)d 4.50( 33.40%) f 6.49( 48.21%)g 0.33( 2.45%) 543. (0.00000) RY (42) C 7 s( 84.54%)p 0.01( 0.57%)d 0.05( 4.15%) f 0.07( 5.54%)g 0.06( 5.21%) 544. (0.00000) RY (43) C 7 s( 0.41%)p 4.97( 2.03%)d14.76( 6.03%) f99.99( 54.89%)g89.67( 36.64%) 545. (0.00000) RY (44) C 7 s( 0.54%)p 2.47( 1.32%)d18.33( 9.81%) f99.99( 64.14%)g45.21( 24.19%) 546. (0.00000) RY (45) C 7 s( 7.39%)p 0.05( 0.39%)d 1.50( 11.08%) f 3.42( 25.24%)g 7.57( 55.90%) 547. (0.00000) RY (46) C 7 s( 0.73%)p 5.38( 3.95%)d28.01( 20.58%) f44.10( 32.40%)g57.61( 42.33%) 548. (0.00000) RY (47) C 7 s( 1.05%)p 1.31( 1.38%)d11.59( 12.19%) f31.90( 33.55%)g49.28( 51.83%) 549. (0.00000) RY (48) C 7 s( 5.70%)p 1.16( 6.59%)d 0.84( 4.76%) f 9.78( 55.73%)g 4.77( 27.22%) 550. (0.00000) RY (49) C 7 s( 12.10%)p 0.55( 6.61%)d 2.30( 27.84%) f 3.49( 42.16%)g 0.93( 11.29%) 551. (0.00000) RY (50) C 7 s( 3.25%)p 0.20( 0.66%)d 2.95( 9.62%) f12.76( 41.53%)g13.81( 44.95%) 552. (0.00000) RY (51) C 7 s( 5.36%)p 1.74( 9.32%)d 5.15( 27.63%) f 5.72( 30.67%)g 5.04( 27.02%) 553. (0.00000) RY (52) C 7 s( 1.86%)p 2.00( 3.73%)d 7.83( 14.57%) f21.47( 39.96%)g21.42( 39.88%) 554. (0.00133) RY ( 1) C 8 s( 37.45%)p 1.34( 50.31%)d 0.30( 11.27%) f 0.02( 0.83%)g 0.00( 0.14%) 0.0000 0.0110 0.6110 -0.0328 -0.0055 -0.0006 0.0002 0.0088 -0.6052 0.0493 -0.0060 0.0196 -0.2517 -0.0567 0.0187 0.0119 -0.2585 -0.0055 0.0049 -0.0861 0.1531 0.0054 -0.1453 0.1237 -0.0061 -0.1588 0.0825 0.0000 0.0125 0.0194 -0.0058 0.1083 -0.0319 0.0094 0.0373 -0.0018 0.0155 -0.0048 -0.0163 0.0107 -0.0027 0.0022 -0.0572 0.0244 0.0381 -0.0301 -0.0053 0.0050 0.0048 -0.0037 0.0211 0.0026 -0.0022 0.0027 0.0260 -0.0118 -0.0066 555. (0.00055) RY ( 2) C 8 s( 19.72%)p 3.29( 64.80%)d 0.62( 12.19%) f 0.15( 2.96%)g 0.02( 0.33%) 0.0000 0.0123 0.4353 -0.0858 0.0050 0.0132 0.0016 -0.0053 0.6034 -0.2350 0.0157 0.0249 -0.4008 0.2512 0.0227 0.0099 -0.0550 0.0081 0.0188 -0.1836 -0.0777 -0.0168 -0.0037 -0.0750 0.0070 -0.1005 0.0038 0.0320 0.2342 -0.0939 -0.0221 -0.0177 0.0052 -0.0236 -0.0018 0.0045 0.0351 0.0033 -0.0260 -0.0047 0.0574 -0.0137 0.0620 -0.0299 -0.0110 0.0291 0.1347 -0.0173 0.0012 0.0033 0.0160 0.0105 0.0044 -0.0057 0.0399 -0.0282 0.0224 556. (0.00029) RY ( 3) C 8 s( 0.31%)p99.99( 80.02%)d56.45( 17.43%) f 7.03( 2.17%)g 0.23( 0.07%) 0.0000 -0.0008 0.0553 0.0025 -0.0047 -0.0018 -0.0005 0.0093 -0.1264 0.0407 -0.0175 0.0064 -0.3329 -0.0160 -0.0156 -0.0093 0.8108 -0.1102 0.0340 0.1581 -0.0058 0.0226 -0.2083 0.1075 -0.0252 -0.0790 -0.1677 -0.0103 -0.0068 -0.1184 0.0045 -0.1631 -0.1324 -0.0227 -0.0232 0.0009 -0.0721 0.0024 0.0442 -0.0623 -0.0426 0.0259 -0.0671 0.0104 -0.0257 -0.0156 0.0416 -0.0197 -0.0024 0.0029 -0.0105 -0.0148 -0.0095 0.0077 0.0031 -0.0126 0.0068 557. (0.00023) RY ( 4) C 8 s( 8.44%)p 1.78( 15.02%)d 8.70( 73.40%) f 0.35( 2.96%)g 0.02( 0.17%) 0.0000 -0.0014 0.2681 -0.1115 -0.0065 -0.0041 -0.0005 -0.0076 -0.0364 0.3449 0.0151 0.0176 0.1152 0.0250 -0.0249 0.0029 0.0161 0.1200 -0.0122 0.5719 -0.1501 0.0347 0.4449 -0.1145 0.0076 0.0131 -0.1063 0.0382 0.3861 -0.0454 -0.0213 -0.0484 0.0716 -0.0091 0.0805 0.0024 -0.0083 0.0138 0.0502 -0.0122 0.0086 -0.0052 0.0518 -0.0109 -0.1292 0.0133 0.0194 0.0083 -0.0039 -0.0067 0.0274 0.0005 -0.0078 0.0257 0.0140 0.0006 -0.0005 558. (0.00013) RY ( 5) C 8 s( 0.23%)p56.08( 12.84%)d99.99( 70.65%) f69.95( 16.02%)g 1.13( 0.26%) 0.0000 -0.0024 0.0474 -0.0029 -0.0046 -0.0019 -0.0010 -0.0098 -0.0622 -0.0717 0.0081 -0.0037 -0.0087 -0.1358 0.0150 0.0202 0.2942 0.1082 -0.0426 -0.3167 0.0813 -0.0223 0.3499 -0.0246 0.0045 0.2816 -0.0861 0.0152 0.1340 -0.0593 0.0068 0.5877 -0.1440 0.0383 0.1266 -0.0127 0.1921 -0.0181 0.1605 -0.0182 -0.0219 0.0018 0.2003 -0.0196 0.1659 -0.0169 -0.1085 0.0106 0.0277 -0.0110 -0.0050 0.0318 0.0084 -0.0152 0.0006 0.0172 -0.0086 559. (0.00011) RY ( 6) C 8 s( 5.85%)p 5.54( 32.41%)d 9.78( 57.20%) f 0.76( 4.45%)g 0.02( 0.10%) 0.0000 -0.0049 0.2401 -0.0071 -0.0001 -0.0274 -0.0008 0.0284 0.4136 0.2832 -0.0760 -0.0131 0.0194 -0.1962 0.0171 0.0125 0.0288 -0.1567 -0.0359 0.3141 0.1389 -0.0002 -0.1772 0.0755 0.0002 -0.0154 0.0773 -0.0158 -0.4279 0.1813 -0.0078 0.4392 0.0308 0.0256 0.0589 -0.0055 -0.0806 -0.0015 0.0385 0.0325 0.0316 -0.0017 -0.0781 0.0221 -0.0360 -0.0193 -0.1501 0.0124 0.0239 0.0071 0.0075 -0.0026 -0.0033 0.0143 0.0013 0.0074 -0.0048 560. (0.00006) RY ( 7) C 8 s( 0.91%)p28.85( 26.19%)d77.18( 70.05%) f 2.80( 2.54%)g 0.35( 0.32%) 561. (0.00004) RY ( 8) C 8 s( 6.73%)p 6.68( 44.94%)d 6.31( 42.49%) f 0.78( 5.27%)g 0.08( 0.56%) 562. (0.00002) RY ( 9) C 8 s( 6.49%)p 1.98( 12.85%)d10.35( 67.15%) f 1.97( 12.80%)g 0.11( 0.71%) 563. (0.00002) RY (10) C 8 s( 2.09%)p18.28( 38.29%)d23.03( 48.24%) f 4.53( 9.49%)g 0.90( 1.88%) 564. (0.00002) RY (11) C 8 s( 8.76%)p 4.03( 35.31%)d 2.32( 20.28%) f 3.73( 32.63%)g 0.35( 3.03%) 565. (0.00001) RY (12) C 8 s( 4.89%)p 5.94( 29.05%)d 8.90( 43.51%) f 4.42( 21.62%)g 0.19( 0.94%) 566. (0.00001) RY (13) C 8 s( 1.08%)p18.67( 20.17%)d49.98( 54.00%) f22.30( 24.09%)g 0.61( 0.66%) 567. (0.00000) RY (14) C 8 s( 3.01%)p14.74( 44.45%)d 8.98( 27.06%) f 8.04( 24.24%)g 0.41( 1.23%) 568. (0.00000) RY (15) C 8 s( 30.87%)p 0.28( 8.64%)d 0.75( 23.23%) f 1.18( 36.50%)g 0.02( 0.77%) 569. (0.00000) RY (16) C 8 s( 14.33%)p 1.29( 18.46%)d 2.41( 34.58%) f 2.24( 32.10%)g 0.04( 0.53%) 570. (0.00000) RY (17) C 8 s( 3.29%)p 2.48( 8.15%)d 3.69( 12.11%) f16.97( 55.76%)g 6.30( 20.69%) 571. (0.00000) RY (18) C 8 s( 7.85%)p 0.36( 2.84%)d 2.05( 16.09%) f 4.77( 37.45%)g 4.56( 35.78%) 572. (0.00000) RY (19) C 8 s( 7.22%)p 0.80( 5.80%)d 1.19( 8.56%) f 7.68( 55.46%)g 3.18( 22.96%) 573. (0.00000) RY (20) C 8 s( 0.77%)p 2.82( 2.18%)d49.55( 38.31%) f32.45( 25.09%)g43.54( 33.66%) 574. (0.00000) RY (21) C 8 s( 8.71%)p 1.16( 10.14%)d 2.45( 21.34%) f 2.28( 19.86%)g 4.59( 39.94%) 575. (0.00000) RY (22) C 8 s( 19.37%)p 0.29( 5.66%)d 1.53( 29.64%) f 1.25( 24.15%)g 1.09( 21.19%) 576. (0.00000) RY (23) C 8 s( 4.82%)p 2.71( 13.09%)d 9.11( 43.96%) f 3.21( 15.50%)g 4.69( 22.63%) 577. (0.00000) RY (24) C 8 s( 3.63%)p 0.89( 3.22%)d 9.12( 33.12%) f 5.35( 19.46%)g11.16( 40.57%) 578. (0.00000) RY (25) C 8 s( 4.99%)p 1.63( 8.12%)d 2.56( 12.75%) f 1.65( 8.26%)g13.20( 65.88%) 579. (0.00000) RY (26) C 8 s( 10.77%)p 2.28( 24.53%)d 1.41( 15.14%) f 2.21( 23.81%)g 2.39( 25.74%) 580. (0.00000) RY (27) C 8 s( 19.59%)p 0.98( 19.28%)d 0.28( 5.54%) f 1.21( 23.70%)g 1.63( 31.90%) 581. (0.00000) RY (28) C 8 s( 25.59%)p 0.83( 21.19%)d 0.79( 20.19%) f 0.66( 16.84%)g 0.63( 16.19%) 582. (0.00000) RY (29) C 8 s( 15.49%)p 1.76( 27.24%)d 1.08( 16.72%) f 1.49( 23.04%)g 1.13( 17.51%) 583. (0.00000) RY (30) C 8 s( 14.77%)p 1.52( 22.49%)d 2.35( 34.76%) f 1.08( 15.97%)g 0.81( 12.01%) 584. (0.00000) RY (31) C 8 s( 3.91%)p 7.55( 29.55%)d 4.96( 19.40%) f10.01( 39.16%)g 2.03( 7.97%) 585. (0.00000) RY (32) C 8 s( 6.46%)p 2.73( 17.65%)d 2.55( 16.43%) f 6.62( 42.74%)g 2.59( 16.72%) 586. (0.00000) RY (33) C 8 s( 20.42%)p 0.04( 0.82%)d 0.60( 12.20%) f 2.93( 59.92%)g 0.32( 6.63%) 587. (0.00000) RY (34) C 8 s( 3.41%)p 4.58( 15.62%)d 6.00( 20.44%) f12.96( 44.18%)g 4.80( 16.35%) 588. (0.00000) RY (35) C 8 s( 14.23%)p 0.53( 7.50%)d 2.68( 38.17%) f 1.56( 22.19%)g 1.26( 17.91%) 589. (0.00000) RY (36) C 8 s( 5.23%)p 1.24( 6.49%)d 6.84( 35.80%) f 6.03( 31.56%)g 4.00( 20.92%) 590. (0.00000) RY (37) C 8 s( 1.16%)p13.08( 15.19%)d45.88( 53.29%) f18.74( 21.77%)g 7.39( 8.58%) 591. (0.00000) RY (38) C 8 s( 5.16%)p 1.06( 5.47%)d 7.86( 40.56%) f 7.96( 41.05%)g 1.51( 7.77%) 592. (0.00000) RY (39) C 8 s( 8.19%)p 0.12( 0.97%)d 3.45( 28.30%) f 6.77( 55.43%)g 0.87( 7.10%) 593. (0.00000) RY (40) C 8 s( 2.52%)p14.28( 35.93%)d15.01( 37.77%) f 8.37( 21.06%)g 1.08( 2.72%) 594. (0.00000) RY (41) C 8 s( 0.70%)p30.11( 21.18%)d27.57( 19.40%) f79.90( 56.22%)g 3.54( 2.49%) 595. (0.00000) RY (42) C 8 s( 80.12%)p 0.00( 0.17%)d 0.02( 1.94%) f 0.07( 5.36%)g 0.16( 12.42%) 596. (0.00000) RY (43) C 8 s( 4.02%)p 0.23( 0.92%)d 2.64( 10.62%) f12.41( 49.92%)g 8.58( 34.52%) 597. (0.00000) RY (44) C 8 s( 0.41%)p 4.93( 2.01%)d12.55( 5.12%) f99.99( 64.28%)g69.07( 28.18%) 598. (0.00000) RY (45) C 8 s( 6.88%)p 0.22( 1.50%)d 2.65( 18.19%) f 2.47( 16.97%)g 8.21( 56.46%) 599. (0.00000) RY (46) C 8 s( 3.96%)p 0.12( 0.46%)d 6.15( 24.35%) f11.00( 43.55%)g 6.99( 27.68%) 600. (0.00000) RY (47) C 8 s( 6.94%)p 1.01( 7.01%)d 2.98( 20.69%) f 4.48( 31.07%)g 4.94( 34.29%) 601. (0.00000) RY (48) C 8 s( 2.79%)p 2.96( 8.28%)d10.32( 28.84%) f 9.83( 27.46%)g11.68( 32.63%) 602. (0.00000) RY (49) C 8 s( 2.47%)p 2.23( 5.50%)d 2.79( 6.88%) f15.81( 38.99%)g18.72( 46.16%) 603. (0.00000) RY (50) C 8 s( 4.66%)p 0.07( 0.31%)d 6.68( 31.09%) f 5.93( 27.62%)g 7.80( 36.32%) 604. (0.00000) RY (51) C 8 s( 12.79%)p 0.17( 2.22%)d 2.43( 31.03%) f 2.94( 37.63%)g 1.28( 16.33%) 605. (0.00000) RY (52) C 8 s( 5.72%)p 1.46( 8.35%)d 3.11( 17.78%) f 4.67( 26.73%)g 7.24( 41.43%) 606. (0.00106) RY ( 1) C 9 s( 49.37%)p 0.79( 38.88%)d 0.22( 10.66%) f 0.02( 0.86%)g 0.00( 0.23%) 0.0000 0.0128 0.7009 -0.0473 -0.0050 -0.0040 0.0002 -0.0159 0.0921 0.0485 -0.0224 -0.0182 0.5445 -0.0580 -0.0031 0.0157 -0.2745 0.0368 0.0070 -0.0427 0.0692 0.0134 0.1128 -0.0312 -0.0024 0.1704 -0.1415 0.0010 0.0347 -0.1288 0.0038 0.1351 -0.0297 0.0074 0.0503 -0.0027 0.0179 -0.0090 -0.0115 -0.0013 0.0384 -0.0209 -0.0344 0.0140 -0.0362 0.0282 0.0099 -0.0024 0.0128 -0.0270 -0.0097 -0.0049 -0.0092 0.0017 0.0310 0.0053 -0.0152 607. (0.00054) RY ( 2) C 9 s( 11.59%)p 5.55( 64.36%)d 1.77( 20.49%) f 0.29( 3.39%)g 0.01( 0.17%) 0.0000 0.0114 0.3341 -0.0611 -0.0155 0.0127 0.0029 -0.0284 0.6317 -0.2396 -0.0076 -0.0009 -0.4188 0.0524 -0.0300 0.0090 0.0285 0.0787 0.0143 -0.2870 0.0241 0.0036 0.1319 -0.0503 -0.0257 -0.0254 0.1126 -0.0203 -0.1558 0.2016 0.0129 -0.1467 0.0243 -0.0217 -0.0245 0.0017 0.0204 0.0149 -0.0320 0.0065 -0.0932 0.0397 0.0048 -0.0175 0.0795 -0.0414 0.1137 -0.0077 -0.0045 -0.0059 -0.0037 -0.0048 -0.0104 0.0091 0.0259 0.0226 -0.0157 608. (0.00027) RY ( 3) C 9 s( 0.32%)p99.99( 74.00%)d72.14( 23.38%) f 6.82( 2.21%)g 0.28( 0.09%) 0.0000 -0.0004 0.0552 -0.0137 0.0019 0.0013 0.0003 0.0022 -0.2471 0.0449 -0.0144 -0.0004 -0.3875 -0.0090 -0.0045 0.0111 -0.7141 0.1232 -0.0352 -0.0576 -0.1225 0.0015 0.0166 -0.1771 0.0033 -0.2494 0.0607 -0.0331 -0.0481 -0.0268 0.0104 0.3107 0.1274 0.0300 0.0469 0.0036 0.0487 -0.0550 -0.0316 -0.0311 -0.0700 0.0213 -0.0029 0.0128 0.0027 -0.0137 -0.0756 0.0327 0.0118 -0.0037 -0.0055 -0.0236 -0.0082 -0.0031 0.0038 0.0034 0.0083 609. (0.00018) RY ( 4) C 9 s( 1.88%)p11.33( 21.29%)d39.57( 74.39%) f 1.23( 2.32%)g 0.06( 0.12%) 0.0000 0.0039 -0.0901 0.1029 0.0054 0.0059 0.0007 0.0183 0.3177 0.0632 -0.0275 -0.0028 -0.2122 0.2263 0.0136 -0.0047 -0.1013 0.0133 0.0017 0.0197 -0.0388 -0.0220 -0.2524 -0.0280 0.0276 0.3744 -0.1859 0.0297 0.6552 -0.1413 0.0062 0.2121 -0.0754 0.0246 -0.0294 -0.0050 0.0058 -0.0183 -0.0080 -0.0002 0.0076 -0.0083 -0.0206 0.0082 -0.1454 0.0082 -0.0071 -0.0047 -0.0145 0.0127 -0.0032 -0.0163 0.0032 0.0163 -0.0100 -0.0020 -0.0138 610. (0.00016) RY ( 5) C 9 s( 2.94%)p 7.64( 22.49%)d22.40( 65.90%) f 2.89( 8.50%)g 0.06( 0.16%) 0.0000 -0.0030 0.1497 -0.0695 0.0466 -0.0005 0.0019 0.0178 0.2167 0.2357 -0.0265 -0.0197 -0.2610 -0.2183 0.0631 -0.0170 -0.0207 -0.0087 0.0208 0.6545 -0.1105 0.0429 -0.1868 0.1344 0.0063 0.1858 -0.0887 0.0202 -0.3371 -0.0657 -0.0329 0.0392 0.0153 0.0015 0.0014 -0.0045 -0.1027 0.0055 0.1764 -0.0086 0.1128 -0.0349 -0.0731 0.0196 0.1107 0.0084 -0.1059 0.0019 0.0081 -0.0090 -0.0207 0.0195 0.0092 -0.0163 -0.0115 -0.0133 0.0054 611. (0.00011) RY ( 6) C 9 s( 0.58%)p37.22( 21.60%)d99.99( 63.80%) f23.75( 13.78%)g 0.40( 0.23%) 0.0000 0.0010 -0.0445 0.0573 -0.0222 0.0068 0.0004 -0.0159 -0.2300 -0.1503 0.0080 -0.0059 -0.0702 0.0781 -0.0016 -0.0143 -0.3263 -0.1460 0.0343 -0.0076 -0.0025 -0.0139 0.1239 -0.1565 0.0124 0.4814 -0.1139 0.0284 -0.0133 0.0501 0.0054 -0.5780 0.1201 -0.0313 -0.1706 0.0163 0.0846 -0.0159 0.1978 -0.0212 0.1220 0.0000 -0.0916 0.0094 0.1720 -0.0302 0.0868 -0.0066 -0.0277 0.0032 -0.0056 0.0170 0.0212 -0.0028 0.0040 0.0138 -0.0240 612. (0.00006) RY ( 7) C 9 s( 0.20%)p86.33( 17.08%)d99.99( 79.44%) f15.20( 3.01%)g 1.40( 0.28%) 613. (0.00004) RY ( 8) C 9 s( 7.68%)p 6.85( 52.64%)d 4.90( 37.65%) f 0.21( 1.61%)g 0.05( 0.42%) 614. (0.00002) RY ( 9) C 9 s( 16.07%)p 1.16( 18.58%)d 3.25( 52.26%) f 0.79( 12.64%)g 0.03( 0.45%) 615. (0.00002) RY (10) C 9 s( 5.80%)p 3.57( 20.70%)d 3.75( 21.76%) f 8.16( 47.30%)g 0.77( 4.45%) 616. (0.00001) RY (11) C 9 s( 1.98%)p 5.77( 11.42%)d25.28( 50.04%) f17.66( 34.96%)g 0.81( 1.60%) 617. (0.00001) RY (12) C 9 s( 1.51%)p30.79( 46.57%)d23.21( 35.11%) f10.09( 15.26%)g 1.02( 1.55%) 618. (0.00000) RY (13) C 9 s( 13.36%)p 1.85( 24.66%)d 3.09( 41.30%) f 1.44( 19.21%)g 0.11( 1.47%) 619. (0.00001) RY (14) C 9 s( 3.91%)p10.20( 39.87%)d 6.81( 26.62%) f 7.42( 29.02%)g 0.15( 0.57%) 620. (0.00000) RY (15) C 9 s( 8.79%)p 3.47( 30.45%)d 4.55( 39.98%) f 2.12( 18.64%)g 0.25( 2.16%) 621. (0.00000) RY (16) C 9 s( 30.83%)p 0.63( 19.39%)d 0.87( 26.79%) f 0.73( 22.58%)g 0.01( 0.41%) 622. (0.00000) RY (17) C 9 s( 2.54%)p 0.42( 1.05%)d 8.78( 22.27%) f 8.22( 20.86%)g21.00( 53.29%) 623. (0.00000) RY (18) C 9 s( 4.53%)p 3.10( 14.02%)d 9.50( 42.99%) f 3.70( 16.74%)g 4.80( 21.72%) 624. (0.00000) RY (19) C 9 s( 3.51%)p 6.21( 21.81%)d 3.82( 13.43%) f 7.60( 26.68%)g 9.84( 34.56%) 625. (0.00000) RY (20) C 9 s( 4.40%)p 1.73( 7.59%)d 1.79( 7.88%) f14.93( 65.70%)g 3.28( 14.42%) 626. (0.00000) RY (21) C 9 s( 23.66%)p 0.09( 2.18%)d 1.12( 26.61%) f 0.74( 17.51%)g 1.27( 30.03%) 627. (0.00000) RY (22) C 9 s( 9.57%)p 0.28( 2.72%)d 3.59( 34.36%) f 0.80( 7.65%)g 4.77( 45.70%) 628. (0.00000) RY (23) C 9 s( 1.39%)p 1.37( 1.90%)d30.15( 41.82%) f18.15( 25.17%)g21.43( 29.72%) 629. (0.00000) RY (24) C 9 s( 7.78%)p 0.41( 3.20%)d 2.41( 18.74%) f 3.84( 29.91%)g 5.19( 40.37%) 630. (0.00000) RY (25) C 9 s( 5.92%)p 1.27( 7.54%)d 3.90( 23.07%) f 4.52( 26.77%)g 6.20( 36.70%) 631. (0.00000) RY (26) C 9 s( 12.93%)p 1.11( 14.33%)d 3.06( 39.51%) f 2.03( 26.23%)g 0.54( 7.01%) 632. (0.00000) RY (27) C 9 s( 22.19%)p 0.85( 18.93%)d 0.51( 11.34%) f 0.64( 14.17%)g 1.50( 33.37%) 633. (0.00000) RY (28) C 9 s( 8.67%)p 4.73( 40.98%)d 1.86( 16.13%) f 2.24( 19.39%)g 1.71( 14.83%) 634. (0.00000) RY (29) C 9 s( 8.66%)p 0.67( 5.80%)d 2.30( 19.90%) f 2.57( 22.22%)g 5.01( 43.42%) 635. (0.00000) RY (30) C 9 s( 4.60%)p 8.82( 40.56%)d 1.05( 4.85%) f 2.23( 10.25%)g 8.65( 39.75%) 636. (0.00000) RY (31) C 9 s( 24.78%)p 0.86( 21.27%)d 0.98( 24.20%) f 0.70( 17.24%)g 0.51( 12.51%) 637. (0.00000) RY (32) C 9 s( 3.86%)p 9.63( 37.13%)d 4.98( 19.22%) f 3.74( 14.41%)g 6.59( 25.39%) 638. (0.00000) RY (33) C 9 s( 16.23%)p 0.29( 4.79%)d 1.97( 32.01%) f 1.11( 18.03%)g 1.78( 28.94%) 639. (0.00000) RY (34) C 9 s( 7.29%)p 1.87( 13.66%)d 4.33( 31.58%) f 5.62( 40.96%)g 0.89( 6.51%) 640. (0.00000) RY (35) C 9 s( 4.93%)p 2.89( 14.25%)d 5.12( 25.21%) f 7.75( 38.15%)g 3.55( 17.46%) 641. (0.00000) RY (36) C 9 s( 4.67%)p 2.96( 13.83%)d 6.19( 28.92%) f10.70( 49.99%)g 0.56( 2.60%) 642. (0.00000) RY (37) C 9 s( 21.19%)p 0.12( 2.57%)d 2.22( 47.01%) f 1.09( 23.00%)g 0.29( 6.23%) 643. (0.00000) RY (38) C 9 s( 5.26%)p 0.91( 4.80%)d11.20( 58.95%) f 5.04( 26.54%)g 0.85( 4.45%) 644. (0.00000) RY (39) C 9 s( 8.88%)p 1.66( 14.74%)d 3.71( 32.92%) f 4.17( 37.06%)g 0.72( 6.40%) 645. (0.00000) RY (40) C 9 s( 1.09%)p 3.44( 3.75%)d29.73( 32.39%) f46.64( 50.81%)g10.99( 11.97%) 646. (0.00000) RY (41) C 9 s( 3.16%)p10.52( 33.25%)d 8.65( 27.33%) f10.67( 33.74%)g 0.80( 2.53%) 647. (0.00000) RY (42) C 9 s( 0.19%)p41.28( 7.67%)d71.41( 13.26%) f99.99( 76.09%)g15.07( 2.80%) 648. (0.00000) RY (43) C 9 s( 43.39%)p 0.02( 0.74%)d 0.10( 4.13%) f 0.95( 41.24%)g 0.24( 10.50%) 649. (0.00000) RY (44) C 9 s( 35.16%)p 0.00( 0.15%)d 0.30( 10.48%) f 1.17( 41.10%)g 0.37( 13.11%) 650. (0.00000) RY (45) C 9 s( 2.90%)p 0.38( 1.10%)d 1.74( 5.05%) f16.87( 48.95%)g14.47( 42.00%) 651. (0.00000) RY (46) C 9 s( 5.65%)p 0.29( 1.64%)d 1.34( 7.55%) f10.12( 57.21%)g 4.94( 27.95%) 652. (0.00000) RY (47) C 9 s( 1.65%)p 1.35( 2.23%)d 7.02( 11.62%) f28.30( 46.84%)g22.75( 37.65%) 653. (0.00000) RY (48) C 9 s( 0.69%)p 6.98( 4.81%)d43.48( 29.92%) f54.78( 37.70%)g39.07( 26.89%) 654. (0.00000) RY (49) C 9 s( 16.45%)p 0.12( 1.93%)d 0.52( 8.48%) f 2.85( 46.91%)g 1.59( 26.23%) 655. (0.00000) RY (50) C 9 s( 8.07%)p 0.45( 3.63%)d 4.24( 34.18%) f 1.74( 14.07%)g 4.96( 40.05%) 656. (0.00000) RY (51) C 9 s( 3.22%)p 1.52( 4.90%)d 3.01( 9.68%) f 7.40( 23.81%)g18.15( 58.39%) 657. (0.00000) RY (52) C 9 s( 4.29%)p 0.31( 1.34%)d 2.97( 12.74%) f12.02( 51.52%)g 7.02( 30.11%) 658. (0.00564) RY ( 1) P 10 s( 0.05%)p99.99( 9.63%)d99.99( 88.53%) f35.35( 1.62%)g 3.74( 0.17%) 0.0000 0.0000 0.0018 0.0171 -0.0126 -0.0004 0.0014 0.0001 0.0000 0.0000 -0.0414 0.2145 0.0323 0.0360 -0.0003 0.0000 -0.0636 0.1969 0.0023 0.0517 -0.0004 0.0000 -0.0125 0.0227 -0.0041 0.0101 0.0001 -0.3940 -0.0088 -0.0136 -0.0021 -0.0210 0.0550 -0.0134 -0.0029 0.2396 0.0870 -0.0147 -0.0044 -0.7924 0.1053 -0.0202 0.0012 -0.0201 0.1452 0.0092 -0.0003 -0.0047 0.0043 -0.0649 0.0005 0.0161 0.0123 0.0702 -0.0030 0.0437 0.0034 0.0481 -0.0453 0.0141 0.0101 -0.0024 -0.0074 -0.0001 -0.0128 -0.0061 -0.0072 -0.0033 0.0250 -0.0277 659. (0.00502) RY ( 2) P 10 s( 0.06%)p29.99( 1.92%)d99.99( 96.35%) f23.59( 1.51%)g 2.22( 0.14%) 0.0000 0.0000 -0.0002 0.0251 -0.0032 0.0004 0.0001 0.0001 0.0000 0.0000 -0.0044 0.0386 0.0114 0.0041 0.0007 0.0000 -0.0077 0.0352 0.0003 0.0075 0.0008 0.0000 0.0937 0.0513 0.0363 -0.0592 0.0000 -0.1986 0.0225 0.0032 0.0009 0.7920 0.0331 0.0076 0.0030 -0.5038 0.0709 -0.0154 -0.0007 -0.0636 0.0207 -0.0119 -0.0025 0.1525 -0.0871 -0.0236 -0.0031 0.0130 -0.0293 0.0662 -0.0096 -0.0451 0.0078 0.0329 0.0101 0.0383 -0.0388 -0.0088 -0.0071 -0.0568 0.0064 -0.0003 0.0213 -0.0167 0.0009 -0.0075 0.0078 0.0233 0.0037 -0.0044 660. (0.00284) RY ( 3) P 10 s( 0.29%)p 7.41( 2.17%)d99.99( 93.40%) f14.02( 4.10%)g 0.13( 0.04%) 0.0000 0.0000 0.0030 0.0539 -0.0037 0.0004 -0.0004 0.0000 0.0000 0.0000 -0.0385 0.0754 -0.0436 0.0126 -0.0008 0.0000 -0.0341 -0.0712 -0.0529 0.0108 -0.0023 0.0000 0.0275 0.0480 0.0121 -0.0094 -0.0006 -0.1491 0.1175 0.0206 -0.0013 0.4241 -0.0047 -0.0059 0.0026 0.7470 -0.1582 0.0146 0.0025 0.2794 -0.1552 0.0494 0.0022 0.1655 0.0474 -0.0080 -0.0001 0.0082 0.0033 0.0166 -0.0061 -0.0585 0.0101 0.0687 -0.0319 0.1247 -0.0193 0.1197 -0.0175 -0.0274 0.0067 -0.0023 -0.0083 -0.0086 -0.0016 -0.0099 0.0073 0.0004 0.0083 -0.0017 661. (0.00271) RY ( 4) P 10 s( 0.02%)p62.63( 1.35%)d99.99( 93.59%) f99.99( 5.01%)g 1.45( 0.03%) 0.0000 0.0000 -0.0007 -0.0057 0.0129 0.0027 -0.0029 0.0000 0.0000 0.0000 0.0146 0.0023 0.0103 -0.0014 -0.0003 0.0000 0.0174 -0.0060 0.0158 -0.0098 0.0010 0.0000 0.0445 0.0669 0.0761 -0.0152 0.0014 -0.3816 -0.0644 -0.0078 -0.0023 -0.3344 0.2109 -0.0501 -0.0006 -0.1181 -0.0762 0.0355 -0.0003 0.1472 0.0441 -0.0097 0.0025 0.7597 0.0728 0.0037 0.0043 0.0852 -0.0109 0.1167 -0.0246 -0.0511 0.0150 -0.0772 0.0143 0.0730 -0.0049 -0.0742 0.0035 -0.0907 0.0208 0.0009 0.0078 0.0003 0.0073 -0.0064 -0.0020 0.0040 -0.0099 -0.0062 662. (0.00259) RY ( 5) P 10 s( 3.84%)p 5.74( 22.03%)d17.58( 67.46%) f 1.69( 6.48%)g 0.05( 0.19%) 0.0000 0.0000 0.0142 0.1943 -0.0206 -0.0017 -0.0004 -0.0001 0.0001 0.0000 -0.0584 0.2036 -0.0555 0.0147 -0.0019 0.0000 0.0361 -0.4127 0.0058 -0.0159 0.0017 0.0000 -0.0031 -0.0034 -0.0121 0.0011 0.0013 -0.5754 0.2408 -0.0349 -0.0066 -0.1290 0.0021 -0.0062 -0.0022 -0.1400 0.0383 -0.0043 0.0020 0.2432 0.0767 0.0038 0.0016 -0.4069 0.1237 -0.0246 -0.0041 -0.1937 0.0125 0.0280 -0.0012 -0.0075 -0.0030 -0.0639 0.0138 0.1142 -0.0023 -0.0700 -0.0033 0.0639 -0.0007 -0.0144 -0.0101 0.0082 0.0065 -0.0225 -0.0009 0.0090 0.0148 0.0263 663. (0.00165) RY ( 6) P 10 s( 5.98%)p11.65( 69.64%)d 3.62( 21.63%) f 0.46( 2.73%)g 0.01( 0.03%) 0.0000 0.0000 -0.0011 0.2425 0.0275 0.0136 0.0014 0.0003 -0.0001 0.0000 -0.0347 -0.3302 -0.0670 0.0015 0.0009 0.0000 -0.0389 -0.7522 -0.0603 0.0004 0.0002 0.0000 0.0020 0.1036 -0.0028 0.0025 0.0015 0.1484 -0.0487 0.0050 0.0063 0.0252 0.0583 -0.0175 0.0034 0.0454 0.0442 -0.0191 0.0031 -0.3589 -0.1390 0.0170 -0.0085 0.1536 -0.1043 -0.0026 0.0095 0.0609 -0.0053 0.0382 0.0153 0.0324 -0.0044 0.1128 0.0035 -0.0298 0.0023 -0.0825 0.0024 0.0167 0.0071 0.0043 0.0057 -0.0012 -0.0053 0.0043 0.0118 -0.0055 -0.0082 0.0024 664. (0.00131) RY ( 7) P 10 s( 0.45%)p99.99( 89.72%)d17.24( 7.78%) f 4.47( 2.02%)g 0.07( 0.03%) 0.0000 0.0000 0.0002 0.0636 -0.0215 0.0013 0.0011 0.0001 -0.0001 0.0000 -0.0068 -0.0346 -0.0078 0.0049 0.0000 0.0000 -0.0045 -0.0616 -0.0201 0.0030 0.0004 0.0000 -0.0231 -0.9438 0.0130 -0.0086 -0.0009 -0.0745 -0.0472 -0.0073 0.0019 0.0288 -0.1884 -0.0050 -0.0033 0.0265 0.1185 0.0006 0.0032 -0.0258 -0.0335 0.0058 -0.0017 0.1096 -0.0679 0.0202 0.0023 0.0869 0.0091 0.0115 -0.0183 0.0085 0.0097 -0.0602 -0.0077 0.0878 0.0034 -0.0157 -0.0050 0.0069 0.0140 0.0008 0.0076 -0.0100 0.0057 -0.0042 0.0040 0.0083 0.0022 0.0029 665. (0.00080) RY ( 8) P 10 s( 34.20%)p 1.33( 45.32%)d 0.49( 16.65%) f 0.10( 3.57%)g 0.01( 0.26%) 0.0000 0.0000 0.0024 0.5647 0.1522 0.0061 0.0013 0.0007 -0.0004 0.0000 -0.0136 0.6558 -0.1396 -0.0087 0.0030 0.0000 0.0385 -0.0331 -0.0263 -0.0097 0.0039 0.0000 0.0007 -0.0070 -0.0050 0.0017 0.0013 0.3230 -0.1244 -0.0454 0.0130 -0.0025 -0.0174 0.0208 0.0018 -0.0662 -0.0706 0.0158 0.0003 -0.0011 0.0577 0.0068 -0.0031 0.1460 0.0924 -0.0290 0.0039 0.0234 -0.0059 -0.0214 0.0431 -0.0225 -0.0289 -0.0673 0.0093 -0.0767 -0.0141 0.0949 0.0162 0.0768 0.0746 0.0214 0.0010 -0.0072 -0.0068 0.0262 -0.0086 0.0046 -0.0332 -0.0119 666. (0.00044) RY ( 9) P 10 s( 2.02%)p 1.89( 3.80%)d32.22( 64.97%) f14.22( 28.67%)g 0.27( 0.54%) 0.0000 0.0000 0.0063 -0.0968 0.1024 -0.0164 0.0017 -0.0003 0.0002 0.0000 0.0025 0.1155 -0.0715 -0.0050 0.0013 0.0000 0.0063 0.0000 -0.0576 -0.0005 -0.0020 0.0000 -0.0064 -0.0436 0.1189 0.0095 -0.0025 0.1781 0.1922 0.0604 -0.0035 -0.0428 0.3504 -0.0580 0.0010 0.0313 0.6357 -0.0623 0.0219 0.1119 0.1153 0.0878 0.0069 0.0546 0.0535 0.0202 -0.0059 -0.0743 -0.0141 -0.0308 0.0163 -0.0204 -0.0438 0.4661 -0.0438 0.2309 -0.0189 0.0134 0.0604 -0.0106 0.0268 0.0062 0.0316 -0.0136 -0.0050 0.0207 0.0489 0.0183 -0.0097 -0.0302 667. (0.00035) RY (10) P 10 s( 19.33%)p 0.36( 7.03%)d 2.80( 54.07%) f 0.98( 18.93%)g 0.03( 0.64%) 0.0000 0.0000 -0.0186 0.4148 -0.1445 0.0043 0.0000 0.0004 -0.0003 0.0000 -0.0041 -0.0726 0.0266 -0.0408 -0.0061 0.0000 0.0003 0.2358 0.0394 -0.0108 0.0028 0.0000 -0.0044 0.0360 0.0638 -0.0017 -0.0013 -0.1501 -0.1841 -0.0167 0.0078 -0.0949 0.1108 -0.0861 0.0064 0.0961 0.0614 0.0239 -0.0019 0.0352 -0.0025 0.0324 -0.0045 -0.1518 -0.6400 -0.0762 0.0279 -0.0351 0.0395 0.2941 -0.0282 -0.1599 0.0470 0.1811 -0.0509 -0.0452 0.0063 -0.0496 0.0583 -0.1676 -0.0018 -0.0611 -0.0008 0.0009 -0.0049 -0.0319 0.0253 0.0039 -0.0139 0.0278 668. (0.00021) RY (11) P 10 s( 4.45%)p 0.70( 3.12%)d11.89( 52.85%) f 8.34( 37.07%)g 0.57( 2.52%) 0.0000 0.0000 -0.0120 0.1785 -0.1106 0.0148 -0.0031 0.0004 -0.0004 0.0000 0.0068 -0.1235 0.0041 -0.0105 -0.0017 0.0000 0.0026 0.1056 0.0296 0.0067 -0.0006 0.0000 -0.0107 -0.0292 -0.0099 -0.0510 0.0032 -0.0587 -0.3752 -0.0227 0.0229 0.0060 0.4337 0.0744 0.0125 -0.0617 -0.0593 -0.1078 0.0032 0.0638 -0.3225 0.0260 -0.0125 -0.1849 0.1636 -0.0225 -0.0096 0.2689 -0.1482 -0.1941 0.0174 0.0993 0.0018 -0.0346 0.0568 0.3505 -0.1905 0.0658 -0.0246 0.2201 -0.1082 0.1161 0.0046 -0.0081 0.0149 -0.0313 0.0195 0.0002 0.0560 0.0829 669. (0.00017) RY (12) P 10 s( 5.06%)p 5.08( 25.71%)d 9.31( 47.08%) f 4.03( 20.38%)g 0.35( 1.77%) 0.0000 0.0000 -0.0089 0.1245 0.1860 -0.0200 0.0012 0.0000 0.0004 0.0000 -0.0058 -0.2856 -0.3327 -0.0489 0.0051 0.0000 -0.0094 0.1021 -0.1022 -0.0353 -0.0050 0.0000 0.0033 0.0078 -0.2001 0.0100 0.0006 -0.0319 -0.2116 0.0152 0.0079 0.1075 -0.0075 0.0707 0.0077 0.1128 -0.0347 0.0625 0.0074 0.0354 0.5945 0.1381 0.0017 -0.0220 0.1248 -0.0183 -0.0056 -0.0227 -0.0279 0.0206 0.0142 0.0656 -0.1212 -0.0807 -0.0473 0.0950 -0.0474 -0.2814 0.2721 0.0979 0.0038 0.0167 0.0133 0.0574 0.0121 0.0151 0.1124 -0.0161 -0.0047 0.0255 670. (0.00011) RY (13) P 10 s( 8.84%)p 2.24( 19.76%)d 1.00( 8.80%) f 6.73( 59.46%)g 0.36( 3.14%) 0.0000 0.0000 -0.0118 0.2757 0.1093 -0.0012 -0.0169 0.0012 0.0001 0.0000 -0.0079 -0.3836 -0.0585 0.0407 0.0088 0.0000 0.0009 0.0865 0.1791 0.0651 0.0066 0.0000 0.0027 0.0094 -0.0323 0.0156 0.0020 -0.0288 0.0619 -0.0694 0.0086 -0.0222 -0.0454 -0.0337 -0.0106 -0.0423 0.1380 -0.0367 0.0051 0.0279 0.1382 0.0158 -0.0124 0.0337 0.1738 -0.0278 0.0068 -0.1545 -0.0111 0.0422 -0.0260 -0.0296 -0.0561 -0.0823 0.0995 -0.0192 0.0613 0.7156 -0.1466 -0.0629 0.0755 -0.0300 -0.0193 -0.0270 0.1098 0.0241 -0.1185 0.0267 -0.0127 0.0434 671. (0.00010) RY (14) P 10 s( 1.53%)p 3.11( 4.75%)d10.38( 15.89%) f46.24( 70.77%)g 4.60( 7.05%) 672. (0.00008) RY (15) P 10 s( 0.34%)p38.97( 13.22%)d72.11( 24.46%) f99.99( 60.63%)g 3.97( 1.35%) 673. (0.00007) RY (16) P 10 s( 1.76%)p 4.48( 7.90%)d34.64( 61.03%) f15.36( 27.05%)g 1.28( 2.26%) 674. (0.00006) RY (17) P 10 s( 4.70%)p11.96( 56.18%)d 6.72( 31.59%) f 1.51( 7.08%)g 0.10( 0.45%) 675. (0.00004) RY (18) P 10 s( 8.79%)p 6.79( 59.68%)d 1.93( 16.99%) f 1.48( 12.98%)g 0.18( 1.56%) 676. (0.00003) RY (19) P 10 s( 34.21%)p 0.76( 26.17%)d 0.72( 24.48%) f 0.39( 13.17%)g 0.06( 1.98%) 677. (0.00002) RY (20) P 10 s( 21.60%)p 1.12( 24.16%)d 0.93( 20.15%) f 1.38( 29.74%)g 0.20( 4.35%) 678. (0.00001) RY (21) P 10 s( 6.02%)p 8.11( 48.88%)d 2.62( 15.76%) f 4.39( 26.44%)g 0.48( 2.89%) 679. (0.00001) RY (22) P 10 s( 3.90%)p 3.79( 14.79%)d 8.63( 33.65%) f 9.40( 36.68%)g 2.81( 10.97%) 680. (0.00001) RY (23) P 10 s( 4.07%)p 2.84( 11.57%)d13.79( 56.11%) f 5.89( 23.98%)g 1.05( 4.27%) 681. (0.00000) RY (24) P 10 s( 3.17%)p 4.69( 14.86%)d 8.51( 26.96%) f12.82( 40.65%)g 4.53( 14.36%) 682. (0.00000) RY (25) P 10 s( 7.08%)p 2.47( 17.47%)d 5.52( 39.11%) f 1.34( 9.51%)g 3.79( 26.83%) 683. (0.00000) RY (26) P 10 s( 0.33%)p48.73( 15.93%)d52.32( 17.10%) f99.99( 43.42%)g71.05( 23.22%) 684. (0.00000) RY (27) P 10 s( 0.92%)p 8.64( 7.99%)d50.11( 46.31%) f27.26( 25.19%)g21.19( 19.58%) 685. (0.00000) RY (28) P 10 s( 6.27%)p 1.50( 9.39%)d 6.61( 41.38%) f 4.00( 25.06%)g 2.86( 17.90%) 686. (0.00000) RY (29) P 10 s( 9.83%)p 1.09( 10.75%)d 4.59( 45.06%) f 2.05( 20.19%)g 1.44( 14.18%) 687. (0.00000) RY (30) P 10 s( 8.67%)p 1.05( 9.14%)d 1.90( 16.48%) f 2.70( 23.43%)g 4.88( 42.29%) 688. (0.00000) RY (31) P 10 s( 4.82%)p 1.29( 6.20%)d 2.09( 10.09%) f 6.30( 30.37%)g10.06( 48.52%) 689. (0.00000) RY (32) P 10 s( 4.57%)p 1.07( 4.88%)d10.55( 48.19%) f 5.19( 23.69%)g 4.09( 18.67%) 690. (0.00000) RY (33) P 10 s( 14.88%)p 0.55( 8.22%)d 2.26( 33.57%) f 1.71( 25.44%)g 1.20( 17.90%) 691. (0.00000) RY (34) P 10 s( 27.57%)p 0.31( 8.57%)d 1.36( 37.43%) f 0.49( 13.44%)g 0.47( 13.00%) 692. (0.00000) RY (35) P 10 s( 1.07%)p17.62( 18.78%)d44.31( 47.22%) f25.73( 27.42%)g 5.18( 5.52%) 693. (0.00000) RY (36) P 10 s( 5.84%)p 1.35( 7.88%)d 6.68( 39.01%) f 7.57( 44.20%)g 0.53( 3.07%) 694. (0.00000) RY (37) P 10 s( 3.46%)p 4.92( 16.99%)d14.03( 48.48%) f 6.88( 23.77%)g 2.11( 7.30%) 695. (0.00000) RY (38) P 10 s( 1.46%)p 8.48( 12.36%)d23.75( 34.60%) f27.50( 40.06%)g 7.90( 11.52%) 696. (0.00000) RY (39) P 10 s( 9.31%)p 0.75( 6.97%)d 5.07( 47.22%) f 3.46( 32.23%)g 0.46( 4.26%) 697. (0.00000) RY (40) P 10 s( 9.01%)p 0.45( 4.05%)d 2.14( 19.25%) f 6.80( 61.29%)g 0.71( 6.41%) 698. (0.00000) RY (41) P 10 s( 99.36%)p 0.00( 0.13%)d 0.00( 0.09%) f 0.00( 0.11%)g 0.00( 0.31%) 699. (0.00000) RY (42) P 10 s( 80.68%)p 0.12( 9.82%)d 0.02( 1.76%) f 0.05( 3.64%)g 0.05( 4.10%) 700. (0.00000) RY (43) P 10 s( 18.69%)p 2.71( 50.60%)d 0.41( 7.60%) f 0.36( 6.74%)g 0.88( 16.37%) 701. (0.00000) RY (44) P 10 s( 0.81%)p42.53( 34.40%)d25.92( 20.97%) f23.36( 18.90%)g30.81( 24.93%) 702. (0.00000) RY (45) P 10 s( 3.27%)p 9.15( 29.92%)d 3.71( 12.14%) f 3.77( 12.33%)g12.96( 42.35%) 703. (0.00000) RY (46) P 10 s( 15.42%)p 3.62( 55.77%)d 0.49( 7.59%) f 0.71( 10.96%)g 0.67( 10.26%) 704. (0.00000) RY (47) P 10 s( 1.13%)p17.76( 20.01%)d11.62( 13.10%) f 9.77( 11.01%)g48.59( 54.76%) 705. (0.00000) RY (48) P 10 s( 3.40%)p 3.13( 10.64%)d 7.61( 25.90%) f 5.02( 17.09%)g12.62( 42.95%) 706. (0.00000) RY (49) P 10 s( 5.07%)p 1.26( 6.40%)d 1.92( 9.74%) f 2.73( 13.85%)g12.80( 64.93%) 707. (0.00000) RY (50) P 10 s( 20.01%)p 1.66( 33.31%)d 0.60( 12.04%) f 0.56( 11.23%)g 1.17( 23.41%) 708. (0.00000) RY (51) P 10 s( 9.87%)p 0.93( 9.20%)d 1.15( 11.30%) f 2.32( 22.90%)g 4.74( 46.73%) 709. (0.00000) RY (52) P 10 s( 11.41%)p 0.68( 7.80%)d 3.25( 37.02%) f 2.48( 28.29%)g 1.36( 15.48%) 710. (0.00000) RY (53) P 10 s( 3.69%)p 1.32( 4.87%)d 5.96( 21.98%) f 7.70( 28.37%)g11.15( 41.10%) 711. (0.00000) RY (54) P 10 s( 4.20%)p 7.86( 32.99%)d 6.83( 28.69%) f 6.94( 29.12%)g 1.19( 5.00%) 712. (0.00000) RY (55) P 10 s( 5.97%)p 2.93( 17.48%)d 2.22( 13.25%) f 6.95( 41.49%)g 3.66( 21.82%) 713. (0.00000) RY (56) P 10 s( 13.67%)p 1.60( 21.93%)d 1.56( 21.31%) f 1.08( 14.75%)g 2.07( 28.34%) 714. (0.00000) RY (57) P 10 s( 2.28%)p 9.66( 22.03%)d12.06( 27.51%) f14.54( 33.16%)g 6.59( 15.02%) 715. (0.00000) RY (58) P 10 s( 0.45%)p50.88( 22.94%)d78.37( 35.34%) f46.41( 20.92%)g45.13( 20.35%) 716. (0.00000) RY (59) P 10 s( 1.10%)p30.34( 33.39%)d25.38( 27.93%) f18.60( 20.46%)g15.56( 17.12%) 717. (0.00000) RY (60) P 10 s( 2.74%)p 4.81( 13.18%)d 7.83( 21.48%) f 5.35( 14.66%)g17.49( 47.94%) 718. (0.00000) RY (61) P 10 s( 6.92%)p 2.48( 17.14%)d 4.33( 29.92%) f 4.40( 30.46%)g 2.25( 15.57%) 719. (0.00291) RY ( 1) C 11 s( 32.54%)p 1.62( 52.58%)d 0.44( 14.31%) f 0.02( 0.55%)g 0.00( 0.02%) 0.0000 0.0023 0.5700 -0.0179 -0.0084 -0.0045 0.0001 -0.0017 0.2955 0.0178 -0.0021 -0.0256 0.6602 -0.0192 0.0260 -0.0026 0.0251 0.0007 0.0023 0.0240 -0.0417 -0.0007 -0.0026 0.0014 -0.0006 -0.0441 0.0253 -0.0032 0.3032 -0.1689 0.0209 0.1204 -0.0524 0.0065 -0.0091 0.0011 0.0008 0.0053 -0.0437 0.0114 -0.0087 0.0037 -0.0029 0.0019 -0.0081 -0.0130 -0.0544 0.0089 -0.0023 -0.0028 0.0012 -0.0005 -0.0119 -0.0018 -0.0027 -0.0001 -0.0003 720. (0.00212) RY ( 2) C 11 s( 0.03%)p99.99( 96.42%)d49.99( 1.50%) f67.22( 2.01%)g 1.16( 0.03%) 0.0000 0.0010 0.0170 0.0029 0.0007 -0.0004 0.0000 0.0043 0.0332 0.0048 0.0004 -0.0058 -0.0720 -0.0041 0.0006 0.0466 0.9763 0.0506 0.0030 0.0068 -0.0014 -0.0012 -0.0219 0.0457 0.0066 0.0199 0.1063 -0.0105 0.0048 0.0137 0.0007 0.0168 -0.0018 -0.0015 0.1259 -0.0279 0.0290 -0.0051 -0.0205 0.0035 -0.0449 0.0066 0.0083 0.0063 0.0005 0.0014 0.0057 -0.0008 -0.0036 0.0158 -0.0021 0.0026 -0.0047 0.0028 0.0064 0.0018 -0.0001 721. (0.00179) RY ( 3) C 11 s( 6.09%)p11.30( 68.78%)d 3.99( 24.27%) f 0.13( 0.78%)g 0.01( 0.09%) 0.0000 0.0180 0.2362 0.0683 0.0011 0.0084 -0.0006 0.0240 -0.8237 0.0588 0.0114 -0.0279 0.0585 -0.0210 0.0050 -0.0060 0.0214 -0.0053 -0.0006 -0.0951 0.0050 -0.0151 0.0241 -0.0527 -0.0034 -0.0399 0.0410 -0.0001 0.0874 0.0877 0.0218 0.2866 -0.3589 -0.0005 0.0014 0.0045 -0.0198 -0.0161 0.0174 0.0007 -0.0091 -0.0025 0.0096 -0.0006 0.0178 0.0187 -0.0773 0.0066 0.0217 0.0073 -0.0028 -0.0167 0.0009 -0.0022 0.0036 -0.0043 -0.0053 722. (0.00054) RY ( 4) C 11 s( 7.56%)p 6.33( 47.88%)d 5.16( 39.05%) f 0.68( 5.12%)g 0.05( 0.39%) 0.0000 0.0026 0.2446 -0.1253 0.0098 0.0057 0.0015 0.0020 0.0000 0.1518 -0.0131 -0.0120 -0.4206 0.5254 -0.0153 -0.0014 -0.0379 0.0276 -0.0055 0.5134 0.0145 0.0851 0.0251 0.0075 0.0052 -0.0453 0.0268 -0.0112 0.2956 -0.1607 0.0388 -0.0051 -0.0246 0.0229 -0.0282 0.0097 -0.0857 0.0048 -0.1689 0.0386 -0.0364 0.0097 -0.0106 0.0016 0.0757 0.0014 -0.0564 0.0497 0.0144 -0.0020 0.0062 -0.0149 -0.0341 -0.0030 -0.0083 0.0150 0.0438 723. (0.00031) RY ( 5) C 11 s( 16.72%)p 1.95( 32.53%)d 2.79( 46.60%) f 0.22( 3.76%)g 0.02( 0.38%) 0.0000 -0.0227 0.4001 0.0715 0.0251 0.0296 0.0009 -0.0191 -0.0316 0.2933 0.1050 0.0081 -0.3745 -0.2829 -0.0616 0.0019 -0.0288 -0.0436 -0.0085 -0.4505 0.0237 -0.0428 -0.0994 0.0426 -0.0030 0.0492 -0.0153 0.0019 0.2633 -0.0553 -0.0207 -0.3338 0.2491 0.0058 0.0285 -0.0050 -0.1551 0.0293 0.0170 -0.0036 -0.0294 0.0053 0.0156 0.0044 0.0843 -0.0441 -0.0294 -0.0212 -0.0499 -0.0157 0.0087 0.0228 -0.0066 -0.0004 -0.0021 -0.0085 -0.0195 724. (0.00027) RY ( 6) C 11 s( 0.02%)p99.99( 19.50%)d99.99( 49.37%) f99.99( 30.07%)g56.23( 1.04%) 0.0000 -0.0001 0.0124 -0.0051 0.0005 0.0021 0.0002 -0.0004 -0.0010 0.0223 0.0195 0.0004 -0.0132 -0.0238 -0.0232 -0.0086 -0.0279 0.3683 0.2374 -0.0101 -0.0536 -0.0108 0.0193 0.0916 0.1115 -0.2081 -0.6395 -0.0387 -0.0085 -0.0466 0.0050 -0.0387 -0.1075 -0.0184 0.4656 -0.1406 0.0884 -0.0383 -0.0653 0.0371 -0.1821 0.0233 -0.0867 -0.0842 -0.0261 -0.0069 0.0109 -0.0087 -0.0208 0.0855 -0.0017 0.0184 -0.0107 -0.0460 -0.0025 -0.0046 0.0049 725. (0.00023) RY ( 7) C 11 s( 0.01%)p 1.00( 5.29%)d 9.47( 50.11%) f 8.18( 43.31%)g 0.24( 1.29%) 0.0000 -0.0002 -0.0051 0.0077 0.0010 -0.0014 0.0002 0.0006 0.0110 0.0205 -0.0060 -0.0017 -0.0145 -0.0163 0.0148 0.0138 0.1732 0.0576 -0.1347 -0.0091 -0.0225 -0.0017 0.0753 -0.3629 -0.0396 -0.0604 -0.5887 -0.0493 0.0129 -0.0795 -0.0049 -0.0244 -0.0412 -0.0023 -0.5292 0.1581 -0.1153 0.0245 0.0650 -0.0093 0.2805 -0.0936 0.0969 -0.1023 0.0418 -0.0197 -0.0204 -0.0011 0.0263 -0.0930 0.0239 -0.0132 0.0121 0.0500 0.0083 0.0052 -0.0064 726. (0.00016) RY ( 8) C 11 s( 26.61%)p 1.69( 44.92%)d 0.81( 21.52%) f 0.22( 5.84%)g 0.04( 1.10%) 0.0000 0.0022 0.4620 -0.2204 0.0553 0.0325 0.0016 0.0126 0.1141 -0.6051 0.0093 0.0025 -0.2399 -0.1023 -0.0055 -0.0003 -0.0238 0.0348 -0.0034 -0.0196 0.2020 0.0114 0.0158 -0.0333 0.0050 0.0194 -0.0071 -0.0015 -0.2958 0.2227 -0.0326 -0.0221 -0.1806 0.0278 -0.0182 0.0082 -0.1481 0.0102 -0.1188 0.0212 -0.0068 0.0013 0.0000 -0.0009 -0.0475 0.0179 0.1360 0.0171 0.0564 0.0159 0.0015 -0.0719 -0.0186 -0.0127 0.0032 0.0411 0.0150 727. (0.00007) RY ( 9) C 11 s( 0.05%)p99.99( 52.13%)d99.99( 35.95%) f99.99( 11.20%)g13.31( 0.66%) 728. (0.00006) RY (10) C 11 s( 4.90%)p11.37( 55.74%)d 5.81( 28.49%) f 2.09( 10.23%)g 0.13( 0.64%) 729. (0.00006) RY (11) C 11 s( 0.24%)p98.93( 23.39%)d99.99( 23.89%) f99.99( 50.71%)g 7.50( 1.77%) 730. (0.00003) RY (12) C 11 s( 6.93%)p 3.06( 21.22%)d 3.91( 27.07%) f 6.12( 42.42%)g 0.34( 2.36%) 731. (0.00002) RY (13) C 11 s( 2.43%)p 4.85( 11.80%)d28.39( 69.04%) f 5.14( 12.51%)g 1.73( 4.22%) 732. (0.00002) RY (14) C 11 s( 18.27%)p 0.45( 8.17%)d 2.64( 48.17%) f 1.37( 25.02%)g 0.02( 0.37%) 733. (0.00001) RY (15) C 11 s( 0.68%)p13.81( 9.43%)d99.99( 78.80%) f15.12( 10.32%)g 1.11( 0.76%) 734. (0.00001) RY (16) C 11 s( 0.65%)p21.75( 14.20%)d81.41( 53.16%) f45.04( 29.41%)g 3.93( 2.57%) 735. (0.00001) RY (17) C 11 s( 7.83%)p 1.36( 10.62%)d 4.02( 31.45%) f 4.77( 37.35%)g 1.63( 12.74%) 736. (0.00001) RY (18) C 11 s( 11.43%)p 0.47( 5.42%)d 1.62( 18.53%) f 4.57( 52.18%)g 1.09( 12.45%) 737. (0.00000) RY (19) C 11 s( 7.07%)p 3.19( 22.59%)d 7.81( 55.21%) f 1.30( 9.20%)g 0.84( 5.93%) 738. (0.00000) RY (20) C 11 s( 19.06%)p 1.51( 28.78%)d 1.88( 35.81%) f 0.75( 14.39%)g 0.10( 1.96%) 739. (0.00000) RY (21) C 11 s( 8.05%)p 3.75( 30.18%)d 5.35( 43.09%) f 2.19( 17.66%)g 0.13( 1.02%) 740. (0.00000) RY (22) C 11 s( 4.56%)p 2.14( 9.74%)d 9.43( 42.98%) f 7.75( 35.30%)g 1.63( 7.42%) 741. (0.00000) RY (23) C 11 s( 1.37%)p 7.71( 10.54%)d12.68( 17.34%) f16.39( 22.41%)g35.36( 48.34%) 742. (0.00000) RY (24) C 11 s( 32.47%)p 0.13( 4.17%)d 0.78( 25.49%) f 0.60( 19.53%)g 0.56( 18.33%) 743. (0.00000) RY (25) C 11 s( 32.04%)p 0.11( 3.45%)d 0.41( 13.23%) f 0.65( 20.86%)g 0.95( 30.41%) 744. (0.00000) RY (26) C 11 s( 18.80%)p 0.26( 4.80%)d 1.37( 25.75%) f 1.11( 20.91%)g 1.58( 29.74%) 745. (0.00000) RY (27) C 11 s( 5.03%)p 0.76( 3.82%)d 5.75( 28.92%) f10.75( 54.06%)g 1.62( 8.17%) 746. (0.00000) RY (28) C 11 s( 4.23%)p 9.21( 38.94%)d 4.22( 17.83%) f 3.54( 14.99%)g 5.68( 24.02%) 747. (0.00000) RY (29) C 11 s( 6.02%)p 4.35( 26.21%)d 7.22( 43.49%) f 2.78( 16.77%)g 1.25( 7.51%) 748. (0.00000) RY (30) C 11 s( 0.79%)p13.64( 10.80%)d35.73( 28.28%) f46.48( 36.78%)g29.51( 23.35%) 749. (0.00000) RY (31) C 11 s( 0.53%)p 6.23( 3.32%)d78.62( 41.94%) f69.63( 37.14%)g31.99( 17.06%) 750. (0.00000) RY (32) C 11 s( 10.84%)p 1.52( 16.45%)d 1.63( 17.66%) f 4.37( 47.36%)g 0.71( 7.70%) 751. (0.00000) RY (33) C 11 s( 13.43%)p 1.84( 24.74%)d 3.10( 41.69%) f 1.29( 17.35%)g 0.21( 2.78%) 752. (0.00000) RY (34) C 11 s( 4.43%)p 5.15( 22.81%)d 8.14( 36.06%) f 7.13( 31.57%)g 1.16( 5.13%) 753. (0.00000) RY (35) C 11 s( 1.98%)p 7.44( 14.73%)d18.97( 37.54%) f21.94( 43.42%)g 1.17( 2.32%) 754. (0.00000) RY (36) C 11 s( 81.57%)p 0.00( 0.33%)d 0.04( 3.14%) f 0.08( 6.34%)g 0.11( 8.62%) 755. (0.00000) RY (37) C 11 s( 0.91%)p 0.74( 0.68%)d 9.66( 8.79%) f74.85( 68.08%)g23.69( 21.55%) 756. (0.00000) RY (38) C 11 s( 1.36%)p 0.59( 0.81%)d 2.74( 3.74%) f41.00( 55.96%)g27.93( 38.12%) 757. (0.00000) RY (39) C 11 s( 7.66%)p 0.08( 0.60%)d 0.43( 3.32%) f 7.15( 54.78%)g 4.39( 33.64%) 758. (0.00000) RY (40) C 11 s( 6.16%)p 0.06( 0.36%)d 1.42( 8.74%) f10.40( 64.07%)g 3.35( 20.67%) 759. (0.00000) RY (41) C 11 s( 5.78%)p 0.61( 3.55%)d 1.09( 6.32%) f 4.03( 23.33%)g10.55( 61.02%) 760. (0.00000) RY (42) C 11 s( 3.02%)p 0.38( 1.14%)d 2.61( 7.87%) f17.56( 53.04%)g11.56( 34.93%) 761. (0.00000) RY (43) C 11 s( 20.97%)p 0.12( 2.56%)d 0.60( 12.62%) f 1.05( 22.09%)g 1.99( 41.75%) 762. (0.00000) RY (44) C 11 s( 9.51%)p 0.17( 1.60%)d 1.90( 18.12%) f 3.57( 33.95%)g 3.87( 36.82%) 763. (0.00000) RY (45) C 11 s( 3.21%)p 0.18( 0.57%)d 5.30( 16.98%) f11.35( 36.41%)g13.36( 42.84%) 764. (0.00000) RY (46) C 11 s( 1.75%)p 0.86( 1.51%)d22.44( 39.37%) f15.19( 26.65%)g17.50( 30.71%) 765. (0.00000) RY (47) C 11 s( 4.71%)p 1.76( 8.27%)d10.85( 51.06%) f 5.14( 24.17%)g 2.50( 11.78%) 766. (0.00000) RY (48) C 11 s( 6.22%)p 0.73( 4.53%)d 5.19( 32.31%) f 1.37( 8.50%)g 7.78( 48.44%) 767. (0.00000) RY (49) C 11 s( 7.84%)p 0.72( 5.63%)d 2.10( 16.43%) f 4.14( 32.43%)g 4.81( 37.68%) 768. (0.00000) RY (50) C 11 s( 16.88%)p 0.19( 3.21%)d 0.99( 16.72%) f 1.04( 17.49%)g 2.71( 45.70%) 769. (0.00000) RY (51) C 11 s( 4.41%)p 1.59( 6.99%)d 6.41( 28.26%) f 3.08( 13.55%)g10.62( 46.79%) 770. (0.00000) RY (52) C 11 s( 4.57%)p 0.47( 2.15%)d 2.64( 12.07%) f 5.77( 26.39%)g11.99( 54.82%) 771. (0.00219) RY ( 1) C 12 s( 12.36%)p 6.31( 78.01%)d 0.69( 8.49%) f 0.08( 1.05%)g 0.01( 0.08%) 0.0000 -0.0116 0.3480 -0.0463 -0.0094 0.0128 0.0002 0.0095 0.5246 -0.0304 0.0006 -0.0054 0.5121 -0.0254 0.0109 0.0202 -0.4892 0.0276 0.0196 0.0047 0.0478 0.0003 -0.0382 0.0649 -0.0025 0.0121 0.0288 -0.0059 0.0865 -0.0058 -0.0031 0.1794 -0.1903 0.0003 0.0224 0.0206 -0.0474 -0.0063 -0.0499 -0.0008 0.0416 0.0000 0.0029 0.0014 -0.0034 0.0004 -0.0495 0.0245 -0.0138 0.0192 -0.0123 0.0025 0.0090 -0.0026 0.0022 0.0012 0.0010 772. (0.00191) RY ( 2) C 12 s( 1.47%)p63.61( 93.56%)d 1.91( 2.80%) f 1.45( 2.14%)g 0.02( 0.03%) 0.0000 -0.0036 0.1208 -0.0084 -0.0038 0.0053 0.0002 -0.0410 -0.8191 -0.0449 -0.0221 0.0006 0.3141 0.0120 0.0123 -0.0037 -0.4000 -0.0387 -0.0033 -0.0134 -0.0816 0.0151 -0.0398 0.0607 0.0109 0.0045 -0.0027 -0.0047 0.0640 -0.0433 0.0042 0.0753 -0.0613 0.0107 0.0652 -0.0041 0.0653 -0.0170 -0.0362 0.0069 -0.0543 0.0188 0.0080 0.0039 -0.0850 0.0237 -0.0031 -0.0017 -0.0103 -0.0010 -0.0068 0.0067 -0.0029 0.0083 0.0022 -0.0034 0.0012 773. (0.00158) RY ( 3) C 12 s( 24.14%)p 1.77( 42.76%)d 1.29( 31.12%) f 0.08( 1.87%)g 0.00( 0.11%) 0.0000 0.0127 0.4883 0.0516 -0.0066 -0.0069 -0.0005 0.0026 -0.0791 0.0432 -0.0028 -0.0289 0.2693 -0.0145 0.0054 -0.0200 0.5807 -0.0903 -0.0081 -0.0477 0.0784 0.0007 0.0607 -0.1484 -0.0055 0.0889 0.0039 0.0007 0.3856 -0.2959 0.0176 0.1028 0.1468 0.0219 -0.0311 -0.0066 0.0230 0.0063 -0.1146 0.0181 0.0257 -0.0008 0.0479 -0.0093 -0.0068 0.0028 -0.0191 0.0152 -0.0001 -0.0190 0.0050 -0.0197 0.0049 0.0171 0.0017 0.0051 -0.0003 774. (0.00047) RY ( 4) C 12 s( 7.92%)p 3.69( 29.25%)d 7.53( 59.67%) f 0.38( 2.97%)g 0.02( 0.20%) 0.0000 -0.0070 0.2788 -0.0346 0.0037 -0.0147 0.0009 -0.0022 0.0529 0.3792 0.0889 0.0001 -0.2948 0.1650 -0.0373 0.0036 -0.0699 -0.1306 -0.0225 -0.1596 -0.6248 -0.0163 -0.2615 0.0593 -0.0540 -0.2626 -0.0556 -0.0389 0.0191 -0.1265 0.0169 0.1157 -0.0362 -0.0276 -0.0536 0.0176 0.0496 0.0039 0.0274 0.0236 -0.0162 0.0266 0.0350 0.0755 -0.0266 -0.0072 -0.1187 -0.0009 -0.0039 0.0223 -0.0180 0.0077 0.0158 0.0176 0.0221 -0.0001 0.0047 775. (0.00043) RY ( 5) C 12 s( 13.93%)p 2.20( 30.64%)d 3.57( 49.71%) f 0.39( 5.41%)g 0.02( 0.30%) 0.0000 0.0022 0.3491 -0.1301 0.0207 -0.0071 0.0011 -0.0009 -0.0692 -0.1309 -0.0736 -0.0272 -0.4029 0.3298 0.0189 -0.0075 -0.0826 0.0016 0.0025 0.2295 0.5045 0.0377 -0.0318 0.0251 0.0522 -0.3452 0.1402 -0.0705 0.0323 0.0230 0.0127 0.1677 -0.1028 0.0011 -0.0726 0.0146 0.0939 -0.0234 0.0635 -0.0118 -0.0105 0.0064 -0.0978 -0.0614 -0.0472 0.0146 -0.1211 0.0672 -0.0074 -0.0183 -0.0368 0.0093 0.0296 -0.0002 0.0034 0.0002 -0.0178 776. (0.00026) RY ( 6) C 12 s( 1.28%)p13.41( 17.11%)d35.38( 45.14%) f27.68( 35.33%)g 0.90( 1.14%) 0.0000 -0.0137 0.0850 0.0710 -0.0001 -0.0175 -0.0006 -0.0007 0.0699 0.0404 -0.1360 0.0118 -0.1590 -0.1903 -0.0438 0.0162 0.0441 -0.2675 -0.0938 -0.1412 0.1475 -0.0327 -0.2939 0.3311 0.0667 0.3597 0.0750 0.0036 -0.0737 0.1335 -0.0527 0.2132 0.0351 0.0222 0.1980 -0.0479 0.3544 -0.1174 -0.1209 -0.0310 -0.2178 0.0782 0.0135 -0.0038 -0.2513 0.0855 0.1763 -0.0386 -0.0752 -0.0099 0.0428 0.0565 -0.0128 -0.0166 -0.0051 -0.0119 0.0070 777. (0.00023) RY ( 7) C 12 s( 2.16%)p 6.40( 13.83%)d20.01( 43.23%) f18.17( 39.25%)g 0.71( 1.53%) 0.0000 -0.0130 0.1199 0.0826 0.0121 -0.0098 0.0009 -0.0133 -0.1388 0.0670 0.1836 0.0100 -0.1340 -0.1543 -0.0702 0.0117 0.0268 -0.1797 -0.0275 -0.0840 0.0812 0.0226 -0.0898 -0.1164 -0.0578 0.3195 0.1614 0.0191 -0.1121 0.3040 0.0059 0.3339 -0.2164 -0.0370 -0.2905 0.1029 -0.3227 0.0814 0.0618 -0.0680 0.2972 -0.0858 0.1638 -0.0308 0.2132 -0.0777 -0.0559 0.0133 0.0400 0.0975 0.0045 -0.0296 -0.0407 -0.0313 0.0151 -0.0157 -0.0129 778. (0.00014) RY ( 8) C 12 s( 17.04%)p 2.56( 43.69%)d 1.97( 33.53%) f 0.32( 5.43%)g 0.02( 0.31%) 0.0000 -0.0024 0.3871 -0.1351 0.0341 -0.0339 0.0024 0.0032 -0.0057 -0.5047 0.0530 0.0066 -0.2456 -0.2450 -0.0018 -0.0017 -0.0868 0.2266 0.0107 -0.3117 -0.1152 -0.0527 0.1118 -0.1113 0.0097 0.1259 -0.3070 0.0462 -0.2477 -0.0874 0.0238 -0.0710 0.0957 -0.0343 -0.0800 0.0100 0.0298 0.0209 0.0254 0.0144 0.0930 -0.0029 -0.1123 0.0406 -0.1360 0.0229 0.0601 -0.0032 0.0421 -0.0081 -0.0127 -0.0109 0.0144 0.0014 0.0060 -0.0263 0.0036 779. (0.00009) RY ( 9) C 12 s( 4.19%)p10.55( 44.25%)d 8.89( 37.29%) f 3.22( 13.52%)g 0.18( 0.75%) 780. (0.00007) RY (10) C 12 s( 0.23%)p99.99( 32.63%)d99.99( 48.18%) f79.60( 18.24%)g 3.17( 0.73%) 781. (0.00005) RY (11) C 12 s( 7.15%)p 3.98( 28.44%)d 4.45( 31.78%) f 4.46( 31.89%)g 0.10( 0.74%) 782. (0.00003) RY (12) C 12 s( 11.28%)p 0.85( 9.63%)d 4.55( 51.28%) f 2.25( 25.40%)g 0.21( 2.41%) 783. (0.00003) RY (13) C 12 s( 0.95%)p15.00( 14.27%)d62.32( 59.27%) f22.92( 21.79%)g 3.92( 3.72%) 784. (0.00002) RY (14) C 12 s( 18.43%)p 1.76( 32.47%)d 1.99( 36.64%) f 0.52( 9.67%)g 0.15( 2.79%) 785. (0.00001) RY (15) C 12 s( 13.58%)p 0.16( 2.22%)d 2.20( 29.83%) f 3.35( 45.52%)g 0.65( 8.85%) 786. (0.00001) RY (16) C 12 s( 5.68%)p 1.19( 6.78%)d 7.40( 42.01%) f 7.37( 41.85%)g 0.65( 3.69%) 787. (0.00001) RY (17) C 12 s( 11.43%)p 2.85( 32.58%)d 2.01( 22.92%) f 2.60( 29.68%)g 0.30( 3.39%) 788. (0.00001) RY (18) C 12 s( 24.89%)p 0.66( 16.33%)d 1.27( 31.61%) f 1.04( 25.78%)g 0.06( 1.39%) 789. (0.00000) RY (19) C 12 s( 13.15%)p 1.70( 22.41%)d 3.89( 51.14%) f 0.78( 10.26%)g 0.23( 3.04%) 790. (0.00000) RY (20) C 12 s( 1.31%)p 0.52( 0.68%)d44.87( 58.97%) f14.33( 18.83%)g15.38( 20.21%) 791. (0.00000) RY (21) C 12 s( 2.47%)p 4.90( 12.12%)d16.78( 41.48%) f11.09( 27.41%)g 6.68( 16.52%) 792. (0.00000) RY (22) C 12 s( 13.30%)p 0.10( 1.34%)d 1.49( 19.84%) f 1.51( 20.04%)g 3.42( 45.48%) 793. (0.00000) RY (23) C 12 s( 23.54%)p 0.37( 8.60%)d 0.90( 21.28%) f 0.96( 22.64%)g 1.02( 23.95%) 794. (0.00000) RY (24) C 12 s( 4.71%)p 0.51( 2.41%)d 2.90( 13.62%) f 3.35( 15.76%)g13.49( 63.50%) 795. (0.00000) RY (25) C 12 s( 1.18%)p32.06( 37.70%)d 7.43( 8.74%) f25.31( 29.77%)g19.23( 22.61%) 796. (0.00000) RY (26) C 12 s( 24.73%)p 0.81( 20.12%)d 0.95( 23.50%) f 0.64( 15.94%)g 0.64( 15.71%) 797. (0.00000) RY (27) C 12 s( 2.88%)p13.71( 39.49%)d10.25( 29.53%) f 7.74( 22.31%)g 2.01( 5.79%) 798. (0.00000) RY (28) C 12 s( 7.49%)p 1.21( 9.07%)d 6.54( 48.98%) f 3.68( 27.56%)g 0.92( 6.91%) 799. (0.00000) RY (29) C 12 s( 2.64%)p11.55( 30.54%)d15.33( 40.53%) f 6.08( 16.08%)g 3.86( 10.20%) 800. (0.00000) RY (30) C 12 s( 3.95%)p 2.16( 8.53%)d 8.46( 33.44%) f12.00( 47.44%)g 1.68( 6.63%) 801. (0.00000) RY (31) C 12 s( 1.80%)p12.82( 23.04%)d22.93( 41.20%) f13.80( 24.80%)g 5.11( 9.17%) 802. (0.00000) RY (32) C 12 s( 5.81%)p 2.78( 16.15%)d 6.36( 36.94%) f 4.90( 28.44%)g 2.18( 12.66%) 803. (0.00000) RY (33) C 12 s( 6.01%)p 2.33( 14.01%)d 3.49( 20.96%) f 8.92( 53.64%)g 0.90( 5.38%) 804. (0.00000) RY (34) C 12 s( 1.07%)p32.46( 34.68%)d31.09( 33.22%) f27.16( 29.02%)g 1.89( 2.02%) 805. (0.00000) RY (35) C 12 s( 8.26%)p 1.59( 13.17%)d 5.15( 42.53%) f 3.87( 31.96%)g 0.49( 4.09%) 806. (0.00000) RY (36) C 12 s( 0.89%)p 8.47( 7.54%)d31.58( 28.10%) f52.94( 47.11%)g18.39( 16.36%) 807. (0.00000) RY (37) C 12 s( 67.69%)p 0.00( 0.32%)d 0.04( 2.52%) f 0.23( 15.23%)g 0.21( 14.23%) 808. (0.00000) RY (38) C 12 s( 5.73%)p 0.57( 3.25%)d 2.28( 13.05%) f 5.63( 32.30%)g 7.96( 45.67%) 809. (0.00000) RY (39) C 12 s( 5.29%)p 0.06( 0.33%)d 0.84( 4.44%) f 2.17( 11.49%)g14.82( 78.44%) 810. (0.00000) RY (40) C 12 s( 10.12%)p 0.40( 4.07%)d 2.14( 21.69%) f 4.62( 46.70%)g 1.72( 17.42%) 811. (0.00000) RY (41) C 12 s( 0.92%)p 0.56( 0.51%)d 6.61( 6.05%) f65.33( 59.81%)g35.72( 32.70%) 812. (0.00000) RY (42) C 12 s( 2.29%)p 0.14( 0.31%)d 3.43( 7.86%) f31.96( 73.32%)g 7.07( 16.21%) 813. (0.00000) RY (43) C 12 s( 5.87%)p 0.30( 1.79%)d 0.69( 4.03%) f 3.69( 21.64%)g11.35( 66.67%) 814. (0.00000) RY (44) C 12 s( 1.25%)p 1.46( 1.83%)d13.98( 17.45%) f47.50( 59.30%)g16.16( 20.17%) 815. (0.00000) RY (45) C 12 s( 13.37%)p 0.08( 1.04%)d 0.62( 8.28%) f 3.20( 42.81%)g 2.58( 34.50%) 816. (0.00000) RY (46) C 12 s( 12.45%)p 0.14( 1.68%)d 1.74( 21.63%) f 3.25( 40.42%)g 1.91( 23.82%) 817. (0.00000) RY (47) C 12 s( 12.73%)p 0.38( 4.79%)d 2.29( 29.15%) f 3.13( 39.82%)g 1.06( 13.50%) 818. (0.00000) RY (48) C 12 s( 18.12%)p 0.07( 1.31%)d 0.56( 10.07%) f 1.16( 21.08%)g 2.73( 49.43%) 819. (0.00000) RY (49) C 12 s( 9.27%)p 0.27( 2.48%)d 1.40( 12.94%) f 3.94( 36.56%)g 4.18( 38.76%) 820. (0.00000) RY (50) C 12 s( 30.53%)p 0.10( 3.16%)d 0.50( 15.16%) f 0.62( 19.03%)g 1.05( 32.12%) 821. (0.00000) RY (51) C 12 s( 0.23%)p 6.60( 1.52%)d99.99( 49.79%) f81.06( 18.62%)g99.99( 29.85%) 822. (0.00000) RY (52) C 12 s( 1.09%)p 2.07( 2.25%)d15.42( 16.75%) f14.60( 15.87%)g58.96( 64.05%) 823. (0.00274) RY ( 1) C 13 s( 20.83%)p 3.32( 69.12%)d 0.45( 9.33%) f 0.03( 0.69%)g 0.00( 0.03%) 0.0000 -0.0093 0.4551 -0.0278 -0.0024 0.0160 0.0003 0.0146 -0.2564 0.0661 0.0203 -0.0043 0.6866 0.0377 0.0312 0.0007 -0.3816 0.0281 0.0125 -0.0564 0.0795 -0.0127 0.0252 -0.0694 -0.0015 -0.0046 -0.0566 0.0019 0.1923 -0.1507 0.0109 0.1091 -0.0570 0.0059 0.0034 -0.0018 0.0315 -0.0009 -0.0283 0.0189 0.0353 0.0113 -0.0265 0.0012 0.0391 0.0061 -0.0325 0.0052 0.0046 0.0006 0.0009 0.0003 -0.0057 -0.0036 -0.0107 -0.0008 -0.0105 824. (0.00172) RY ( 2) C 13 s( 0.32%)p99.99( 92.12%)d15.34( 4.94%) f 7.99( 2.57%)g 0.15( 0.05%) 0.0000 0.0053 0.0520 0.0190 0.0073 -0.0084 -0.0003 0.0120 0.7712 -0.0595 -0.0036 -0.0066 -0.0625 -0.0234 -0.0026 -0.0408 -0.5555 -0.0877 -0.0191 0.0893 0.0373 0.0032 -0.0495 0.1535 0.0085 -0.0242 -0.0628 0.0057 0.0849 -0.0126 0.0090 0.0224 -0.0348 0.0131 -0.0056 0.0112 0.1185 -0.0274 0.0215 -0.0001 -0.0858 0.0085 -0.0382 0.0098 -0.0264 -0.0033 -0.0246 -0.0040 0.0093 -0.0130 -0.0014 -0.0002 0.0005 0.0050 0.0072 -0.0080 0.0095 825. (0.00144) RY ( 3) C 13 s( 14.39%)p 3.63( 52.19%)d 2.18( 31.41%) f 0.13( 1.88%)g 0.01( 0.13%) 0.0000 0.0136 0.3761 0.0468 0.0093 -0.0027 -0.0003 -0.0254 0.3206 -0.0300 -0.0043 -0.0265 0.1378 0.0116 0.0251 0.0041 0.6299 0.0147 0.0134 0.0830 -0.0466 0.0046 -0.1690 0.3137 -0.0007 0.0597 -0.0294 0.0031 0.2217 -0.0454 0.0245 0.2463 -0.2471 0.0071 0.0408 0.0050 -0.0786 0.0143 -0.0083 0.0073 0.0023 -0.0212 -0.0717 0.0155 -0.0156 -0.0064 -0.0646 0.0169 -0.0215 -0.0225 0.0029 0.0161 0.0034 -0.0010 0.0022 -0.0066 0.0038 826. (0.00050) RY ( 4) C 13 s( 15.70%)p 2.11( 33.06%)d 2.89( 45.35%) f 0.33( 5.14%)g 0.05( 0.75%) 0.0000 0.0091 0.3586 -0.1672 -0.0058 -0.0187 0.0013 -0.0138 -0.0256 0.1703 0.0355 -0.0313 -0.3978 0.3632 0.0041 -0.0095 -0.0855 -0.0310 -0.0019 -0.5853 -0.1004 -0.0774 -0.0431 0.0505 -0.0164 -0.2077 0.1211 -0.0305 -0.0351 -0.1300 0.0025 0.0555 -0.0979 0.0256 0.0264 0.0108 0.0076 -0.0057 -0.1405 0.0293 -0.0297 0.0079 0.1546 -0.0210 0.0165 0.0059 0.0116 0.0643 -0.0111 -0.0274 0.0255 0.0106 -0.0109 0.0051 -0.0670 0.0029 -0.0348 827. (0.00045) RY ( 5) C 13 s( 2.26%)p10.66( 24.12%)d31.11( 70.41%) f 1.35( 3.05%)g 0.07( 0.15%) 0.0000 -0.0106 0.1375 -0.0594 -0.0032 -0.0078 0.0002 0.0069 -0.1038 -0.2625 -0.0650 0.0098 -0.2481 0.1380 -0.0197 0.0033 0.0140 0.2611 0.0885 0.1810 0.3721 0.0003 0.0580 -0.0243 -0.0354 -0.3040 -0.5938 -0.0336 0.1959 -0.0958 0.0466 -0.1680 -0.0105 -0.0596 0.0342 0.0105 -0.0597 0.0337 0.0392 0.0791 -0.0473 0.0120 0.0648 0.0251 0.0057 0.0082 -0.0874 -0.0421 0.0049 0.0222 0.0092 0.0160 -0.0195 -0.0055 -0.0006 -0.0155 0.0000 828. (0.00028) RY ( 6) C 13 s( 10.80%)p 1.75( 18.91%)d 4.98( 53.83%) f 1.47( 15.92%)g 0.05( 0.53%) 0.0000 -0.0159 0.3254 -0.0253 0.0166 -0.0308 -0.0003 0.0147 -0.0068 -0.2712 -0.0550 -0.0023 -0.2502 -0.0865 -0.0460 0.0066 -0.0557 -0.1921 -0.0070 0.1597 -0.0051 -0.0224 0.4769 -0.2508 -0.0168 0.2326 0.3173 0.0071 0.2501 0.0631 0.0158 0.0052 0.0012 0.0038 0.1631 -0.0382 -0.3271 0.0932 0.0124 -0.0444 -0.0165 -0.0041 0.0236 -0.0607 -0.0363 0.0406 -0.0766 -0.0007 -0.0126 0.0583 -0.0029 0.0002 0.0045 -0.0213 -0.0013 -0.0081 0.0340 829. (0.00021) RY ( 7) C 13 s( 4.62%)p 2.28( 10.56%)d 4.72( 21.79%) f13.18( 60.90%)g 0.46( 2.13%) 0.0000 -0.0048 0.2130 0.0240 -0.0037 -0.0152 0.0004 -0.0031 -0.0785 -0.0316 0.1072 -0.0019 -0.1091 -0.0334 0.0085 0.0136 0.1457 -0.0711 -0.2175 0.0715 0.0565 0.0078 0.1789 0.0691 0.0212 0.1410 0.0105 -0.0391 0.1150 -0.1018 -0.0520 -0.1127 0.3258 0.0752 0.0384 0.0035 0.6629 -0.2116 -0.1496 0.0185 -0.2248 0.0740 -0.1341 0.0227 -0.0893 0.0352 0.1221 -0.0439 0.0727 -0.0729 0.0154 -0.0853 0.0336 0.0256 0.0185 0.0261 -0.0190 830. (0.00010) RY ( 8) C 13 s( 11.36%)p 2.85( 32.42%)d 3.24( 36.84%) f 1.61( 18.33%)g 0.09( 1.05%) 831. (0.00005) RY ( 9) C 13 s( 0.79%)p20.85( 16.56%)d59.95( 47.62%) f42.37( 33.65%)g 1.73( 1.37%) 832. (0.00004) RY (10) C 13 s( 3.60%)p 9.36( 33.70%)d 9.52( 34.29%) f 7.32( 26.37%)g 0.56( 2.03%) 833. (0.00003) RY (11) C 13 s( 3.09%)p 9.40( 29.09%)d15.68( 48.50%) f 5.65( 17.48%)g 0.60( 1.85%) 834. (0.00002) RY (12) C 13 s( 1.83%)p 9.22( 16.85%)d31.87( 58.26%) f11.66( 21.31%)g 0.96( 1.75%) 835. (0.00002) RY (13) C 13 s( 10.71%)p 1.70( 18.25%)d 3.76( 40.23%) f 2.22( 23.74%)g 0.66( 7.07%) 836. (0.00001) RY (14) C 13 s( 2.05%)p16.44( 33.78%)d14.55( 29.90%) f14.66( 30.13%)g 2.02( 4.14%) 837. (0.00001) RY (15) C 13 s( 2.36%)p 8.78( 20.73%)d24.28( 57.35%) f 6.80( 16.05%)g 1.49( 3.51%) 838. (0.00001) RY (16) C 13 s( 31.37%)p 0.81( 25.40%)d 0.72( 22.70%) f 0.57( 17.90%)g 0.08( 2.63%) 839. (0.00001) RY (17) C 13 s( 16.04%)p 1.39( 22.29%)d 2.71( 43.51%) f 1.03( 16.50%)g 0.10( 1.66%) 840. (0.00001) RY (18) C 13 s( 7.21%)p 2.89( 20.82%)d 3.90( 28.08%) f 5.77( 41.56%)g 0.32( 2.32%) 841. (0.00000) RY (19) C 13 s( 1.35%)p14.46( 19.59%)d32.66( 44.25%) f24.96( 33.82%)g 0.73( 0.98%) 842. (0.00000) RY (20) C 13 s( 4.12%)p 1.02( 4.21%)d 5.92( 24.35%) f 6.91( 28.43%)g 9.45( 38.89%) 843. (0.00000) RY (21) C 13 s( 15.17%)p 0.37( 5.64%)d 1.66( 25.13%) f 1.90( 28.89%)g 1.66( 25.18%) 844. (0.00000) RY (22) C 13 s( 42.82%)p 0.13( 5.68%)d 0.70( 29.90%) f 0.22( 9.40%)g 0.29( 12.21%) 845. (0.00000) RY (23) C 13 s( 26.45%)p 0.51( 13.50%)d 1.10( 29.10%) f 0.60( 15.77%)g 0.57( 15.19%) 846. (0.00000) RY (24) C 13 s( 7.97%)p 1.00( 7.99%)d 3.69( 29.43%) f 5.83( 46.48%)g 1.02( 8.14%) 847. (0.00000) RY (25) C 13 s( 3.44%)p 2.51( 8.63%)d 5.14( 17.69%) f 5.04( 17.33%)g15.39( 52.92%) 848. (0.00000) RY (26) C 13 s( 24.89%)p 0.28( 7.03%)d 0.64( 16.03%) f 1.12( 27.87%)g 0.97( 24.19%) 849. (0.00000) RY (27) C 13 s( 9.53%)p 2.03( 19.32%)d 1.90( 18.10%) f 5.19( 49.50%)g 0.37( 3.54%) 850. (0.00000) RY (28) C 13 s( 2.44%)p 6.32( 15.40%)d12.60( 30.73%) f13.26( 32.32%)g 7.83( 19.10%) 851. (0.00000) RY (29) C 13 s( 3.29%)p 2.44( 8.04%)d 8.66( 28.51%) f 9.93( 32.70%)g 8.34( 27.45%) 852. (0.00000) RY (30) C 13 s( 14.11%)p 1.30( 18.35%)d 2.71( 38.18%) f 1.52( 21.39%)g 0.56( 7.97%) 853. (0.00000) RY (31) C 13 s( 3.65%)p 9.34( 34.05%)d 5.08( 18.53%) f 9.38( 34.19%)g 2.63( 9.58%) 854. (0.00000) RY (32) C 13 s( 2.73%)p 7.58( 20.70%)d10.08( 27.52%) f14.88( 40.63%)g 3.08( 8.42%) 855. (0.00000) RY (33) C 13 s( 7.10%)p 0.69( 4.92%)d 8.26( 58.67%) f 3.52( 25.00%)g 0.61( 4.31%) 856. (0.00000) RY (34) C 13 s( 8.08%)p 2.53( 20.45%)d 4.95( 40.02%) f 3.51( 28.38%)g 0.38( 3.08%) 857. (0.00000) RY (35) C 13 s( 4.15%)p 5.98( 24.84%)d 6.24( 25.92%) f 8.86( 36.80%)g 1.99( 8.28%) 858. (0.00000) RY (36) C 13 s( 8.02%)p 4.00( 32.11%)d 4.88( 39.12%) f 2.38( 19.06%)g 0.21( 1.69%) 859. (0.00000) RY (37) C 13 s( 8.50%)p 3.24( 27.54%)d 2.74( 23.30%) f 3.13( 26.63%)g 1.65( 14.04%) 860. (0.00000) RY (38) C 13 s( 87.55%)p 0.00( 0.08%)d 0.04( 3.25%) f 0.03( 2.98%)g 0.07( 6.14%) 861. (0.00000) RY (39) C 13 s( 1.15%)p 0.50( 0.58%)d 6.85( 7.86%) f19.62( 22.50%)g59.21( 67.92%) 862. (0.00000) RY (40) C 13 s( 1.12%)p 0.41( 0.46%)d 7.97( 8.96%) f31.43( 35.35%)g48.10( 54.10%) 863. (0.00000) RY (41) C 13 s( 0.41%)p 0.38( 0.16%)d19.04( 7.81%) f99.99( 49.30%)g99.99( 42.33%) 864. (0.00000) RY (42) C 13 s( 7.42%)p 0.07( 0.53%)d 0.45( 3.31%) f 4.12( 30.61%)g 7.83( 58.13%) 865. (0.00000) RY (43) C 13 s( 2.06%)p 0.43( 0.88%)d 9.60( 19.80%) f29.28( 60.38%)g 8.19( 16.89%) 866. (0.00000) RY (44) C 13 s( 2.93%)p 0.12( 0.35%)d 2.77( 8.14%) f16.21( 47.57%)g13.97( 41.00%) 867. (0.00000) RY (45) C 13 s( 1.52%)p 1.08( 1.64%)d13.69( 20.84%) f12.06( 18.36%)g37.85( 57.64%) 868. (0.00000) RY (46) C 13 s( 3.20%)p 0.64( 2.04%)d 9.59( 30.67%) f12.25( 39.20%)g 7.78( 24.89%) 869. (0.00000) RY (47) C 13 s( 5.04%)p 0.26( 1.30%)d 4.12( 20.76%) f 7.06( 35.58%)g 7.40( 37.32%) 870. (0.00000) RY (48) C 13 s( 6.76%)p 0.21( 1.44%)d 2.30( 15.57%) f 7.92( 53.54%)g 3.36( 22.70%) 871. (0.00000) RY (49) C 13 s( 1.86%)p 0.87( 1.62%)d18.18( 33.73%) f14.66( 27.19%)g19.19( 35.60%) 872. (0.00000) RY (50) C 13 s( 1.09%)p 0.53( 0.58%)d40.50( 44.14%) f20.11( 21.92%)g29.61( 32.27%) 873. (0.00000) RY (51) C 13 s( 16.92%)p 1.17( 19.79%)d 0.68( 11.51%) f 1.43( 24.19%)g 1.63( 27.59%) 874. (0.00000) RY (52) C 13 s( 4.04%)p 0.32( 1.28%)d 3.51( 14.18%) f 5.78( 23.37%)g14.13( 57.13%) 875. (0.00312) RY ( 1) C 14 s( 23.29%)p 2.81( 65.42%)d 0.46( 10.68%) f 0.03( 0.59%)g 0.00( 0.02%) 0.0000 -0.0086 0.4816 -0.0264 0.0037 0.0140 0.0003 0.0100 -0.2555 0.0474 0.0154 -0.0037 0.6545 0.0333 0.0350 -0.0083 0.3933 -0.0263 -0.0103 -0.0446 0.0649 -0.0092 -0.0208 0.0617 0.0016 -0.0544 0.0757 -0.0034 0.2166 -0.1345 0.0146 0.1325 -0.0694 0.0057 -0.0216 0.0081 0.0207 0.0055 -0.0258 0.0186 -0.0437 -0.0038 0.0174 -0.0010 0.0315 0.0031 -0.0247 0.0065 0.0019 -0.0021 -0.0022 0.0011 -0.0080 0.0013 0.0091 0.0020 -0.0087 876. (0.00175) RY ( 2) C 14 s( 0.65%)p99.99( 92.55%)d 6.19( 4.03%) f 4.19( 2.73%)g 0.08( 0.05%) 0.0000 0.0035 0.0754 0.0273 0.0042 -0.0064 -0.0004 0.0211 0.8019 -0.0348 0.0006 -0.0120 -0.0734 -0.0528 -0.0094 0.0367 0.5145 0.0773 0.0165 0.0851 0.0843 0.0037 0.0341 -0.1043 -0.0060 -0.0243 0.0584 -0.0097 0.0894 -0.0221 0.0027 0.0056 0.0335 0.0097 -0.0361 0.0028 0.1164 -0.0286 -0.0027 0.0049 0.0975 -0.0169 0.0171 0.0021 -0.0003 -0.0034 -0.0380 -0.0034 0.0054 0.0160 -0.0011 0.0010 -0.0025 -0.0018 -0.0063 -0.0097 0.0094 877. (0.00149) RY ( 3) C 14 s( 10.17%)p 5.56( 56.53%)d 3.10( 31.51%) f 0.16( 1.66%)g 0.01( 0.14%) 0.0000 0.0152 0.3137 0.0538 0.0073 -0.0096 -0.0005 -0.0257 0.3141 -0.0339 -0.0109 -0.0251 0.1778 -0.0029 0.0186 -0.0019 -0.6573 0.0040 -0.0063 0.0527 0.0117 0.0075 0.2203 -0.3723 -0.0027 -0.1481 0.0866 -0.0092 0.2156 -0.0646 0.0222 0.1620 -0.1341 0.0049 -0.0156 -0.0067 -0.0604 0.0000 -0.0113 0.0043 -0.0144 0.0277 0.0946 -0.0164 -0.0051 -0.0071 -0.0466 0.0074 -0.0285 0.0071 0.0036 0.0180 -0.0003 0.0070 -0.0084 -0.0083 0.0037 878. (0.00050) RY ( 4) C 14 s( 20.33%)p 1.83( 37.19%)d 1.79( 36.46%) f 0.26( 5.36%)g 0.03( 0.65%) 0.0000 0.0063 0.4083 -0.1899 -0.0080 -0.0204 0.0009 -0.0096 -0.0186 0.1239 0.0236 -0.0287 -0.4481 0.3861 0.0178 0.0060 0.0298 0.0577 -0.0146 -0.4320 -0.0494 -0.0646 -0.0524 -0.0687 0.0129 0.3316 0.0320 0.0431 0.0689 -0.1577 0.0224 0.1187 -0.0779 0.0262 -0.0630 0.0040 -0.0590 0.0000 -0.0895 0.0449 0.0189 0.0059 -0.1722 0.0153 -0.0079 0.0113 -0.0477 0.0580 -0.0260 -0.0015 -0.0178 0.0296 -0.0375 -0.0132 0.0527 0.0088 -0.0153 879. (0.00044) RY ( 5) C 14 s( 1.19%)p17.62( 20.89%)d63.17( 74.92%) f 2.39( 2.83%)g 0.14( 0.16%) 0.0000 -0.0133 0.1039 -0.0289 -0.0063 -0.0050 0.0001 0.0089 -0.1010 -0.3101 -0.0940 0.0163 -0.1968 0.0872 -0.0027 -0.0056 -0.0481 -0.1926 -0.0873 0.3281 0.4572 0.0166 -0.1069 0.1372 0.0136 0.1420 0.5421 0.0338 0.2187 0.0441 0.0529 -0.0872 0.1511 -0.0606 0.0099 0.0125 -0.0764 0.0336 0.0587 0.0743 0.0187 0.0056 0.0216 -0.0119 0.0031 0.0055 -0.0891 -0.0565 0.0150 -0.0262 -0.0077 -0.0048 -0.0082 0.0074 -0.0144 -0.0176 0.0002 880. (0.00027) RY ( 6) C 14 s( 9.14%)p 1.63( 14.94%)d 5.77( 52.78%) f 2.46( 22.50%)g 0.07( 0.65%) 0.0000 -0.0148 0.3003 -0.0083 0.0052 -0.0297 -0.0004 0.0136 0.0207 -0.1986 -0.0678 0.0004 -0.2370 -0.1232 -0.0447 -0.0072 0.0272 0.1749 -0.0043 0.1899 -0.1250 -0.0291 -0.4419 0.1808 0.0134 -0.3156 -0.3057 -0.0144 0.0975 0.0785 0.0090 0.0577 -0.1859 -0.0160 0.0024 -0.0280 -0.4065 0.1242 0.0782 -0.0669 -0.1193 0.0242 0.1043 0.0085 -0.0293 0.0449 -0.0645 0.0098 0.0114 -0.0608 0.0082 -0.0174 0.0175 0.0327 0.0046 -0.0034 0.0293 881. (0.00020) RY ( 7) C 14 s( 6.04%)p 2.04( 12.33%)d 4.32( 26.09%) f 8.87( 53.55%)g 0.33( 1.99%) 0.0000 -0.0064 0.2427 0.0310 -0.0120 -0.0176 0.0008 -0.0041 -0.0971 -0.0487 0.1379 0.0012 -0.1079 -0.0837 -0.0375 -0.0147 -0.1569 0.0604 0.2095 0.0799 0.0327 0.0079 -0.2524 0.0470 0.0130 -0.2162 -0.1348 0.0144 0.0607 -0.0894 -0.0515 -0.1167 0.2947 0.0862 -0.3326 0.0743 0.4899 -0.1589 -0.1358 0.0125 0.3311 -0.1196 -0.0530 0.0356 -0.0462 0.0255 0.0653 -0.0207 0.0168 0.1159 -0.0195 -0.0570 0.0081 -0.0452 0.0063 0.0185 -0.0069 882. (0.00008) RY ( 8) C 14 s( 8.55%)p 3.71( 31.76%)d 4.29( 36.72%) f 2.57( 21.95%)g 0.12( 1.01%) 883. (0.00006) RY ( 9) C 14 s( 1.50%)p11.49( 17.28%)d31.37( 47.16%) f22.03( 33.12%)g 0.63( 0.94%) 884. (0.00004) RY (10) C 14 s( 7.01%)p 5.32( 37.28%)d 5.43( 38.04%) f 2.25( 15.74%)g 0.27( 1.92%) 885. (0.00003) RY (11) C 14 s( 6.35%)p 4.25( 26.97%)d 6.28( 39.88%) f 3.77( 23.96%)g 0.44( 2.83%) 886. (0.00002) RY (12) C 14 s( 5.82%)p 2.17( 12.59%)d 9.32( 54.21%) f 4.41( 25.65%)g 0.30( 1.74%) 887. (0.00002) RY (13) C 14 s( 4.16%)p 4.97( 20.64%)d12.27( 51.02%) f 5.31( 22.07%)g 0.51( 2.11%) 888. (0.00001) RY (14) C 14 s( 1.01%)p34.92( 35.37%)d33.94( 34.38%) f26.23( 26.57%)g 2.64( 2.68%) 889. (0.00001) RY (15) C 14 s( 2.28%)p14.42( 32.85%)d10.24( 23.32%) f14.56( 33.16%)g 3.68( 8.39%) 890. (0.00001) RY (16) C 14 s( 12.99%)p 1.56( 20.22%)d 2.32( 30.18%) f 2.56( 33.25%)g 0.26( 3.36%) 891. (0.00001) RY (17) C 14 s( 26.33%)p 0.89( 23.45%)d 0.82( 21.71%) f 1.01( 26.67%)g 0.07( 1.84%) 892. (0.00000) RY (18) C 14 s( 5.70%)p 0.28( 1.60%)d 5.21( 29.73%) f 1.11( 6.31%)g 9.93( 56.66%) 893. (0.00000) RY (19) C 14 s( 1.91%)p 2.44( 4.67%)d 8.19( 15.63%) f13.45( 25.69%)g27.28( 52.10%) 894. (0.00000) RY (20) C 14 s( 25.64%)p 0.18( 4.53%)d 0.95( 24.35%) f 0.70( 18.03%)g 1.07( 27.46%) 895. (0.00000) RY (21) C 14 s( 5.83%)p 3.21( 18.71%)d 2.81( 16.40%) f 5.84( 34.03%)g 4.29( 25.02%) 896. (0.00000) RY (22) C 14 s( 18.21%)p 0.32( 5.85%)d 1.41( 25.67%) f 1.75( 31.92%)g 1.01( 18.35%) 897. (0.00000) RY (23) C 14 s( 11.01%)p 0.64( 7.05%)d 0.85( 9.31%) f 3.02( 33.29%)g 3.57( 39.34%) 898. (0.00000) RY (24) C 14 s( 8.26%)p 3.32( 27.46%)d 1.60( 13.21%) f 4.18( 34.54%)g 2.00( 16.52%) 899. (0.00000) RY (25) C 14 s( 5.76%)p 6.18( 35.56%)d 3.80( 21.88%) f 2.99( 17.20%)g 3.41( 19.61%) 900. (0.00000) RY (26) C 14 s( 16.65%)p 0.92( 15.28%)d 1.55( 25.74%) f 1.80( 30.00%)g 0.74( 12.33%) 901. (0.00000) RY (27) C 14 s( 4.13%)p 8.04( 33.16%)d 8.97( 37.02%) f 5.20( 21.45%)g 1.03( 4.25%) 902. (0.00000) RY (28) C 14 s( 1.18%)p34.80( 40.97%)d21.39( 25.18%) f21.58( 25.40%)g 6.17( 7.27%) 903. (0.00000) RY (29) C 14 s( 0.71%)p 7.22( 5.15%)d49.55( 35.30%) f62.33( 44.41%)g20.25( 14.43%) 904. (0.00000) RY (30) C 14 s( 10.30%)p 1.22( 12.61%)d 3.77( 38.88%) f 3.43( 35.31%)g 0.28( 2.89%) 905. (0.00000) RY (31) C 14 s( 5.62%)p 2.33( 13.10%)d 8.03( 45.16%) f 5.00( 28.09%)g 1.43( 8.03%) 906. (0.00000) RY (32) C 14 s( 3.25%)p 4.19( 13.61%)d14.47( 47.05%) f 8.77( 28.51%)g 2.33( 7.57%) 907. (0.00000) RY (33) C 14 s( 6.18%)p 2.25( 13.88%)d 5.80( 35.81%) f 5.00( 30.90%)g 2.14( 13.22%) 908. (0.00000) RY (34) C 14 s( 2.70%)p 6.31( 17.00%)d19.43( 52.38%) f 9.61( 25.91%)g 0.75( 2.01%) 909. (0.00001) RY (35) C 14 s( 11.73%)p 2.36( 27.63%)d 3.24( 38.04%) f 1.15( 13.48%)g 0.78( 9.12%) 910. (0.00001) RY (36) C 14 s( 21.29%)p 0.65( 13.92%)d 2.16( 45.89%) f 0.87( 18.61%)g 0.01( 0.29%) 911. (0.00000) RY (37) C 14 s( 81.63%)p 0.00( 0.06%)d 0.08( 6.25%) f 0.07( 5.98%)g 0.07( 6.08%) 912. (0.00000) RY (38) C 14 s( 5.29%)p 0.23( 1.21%)d 0.96( 5.06%) f 6.74( 35.68%)g 9.97( 52.76%) 913. (0.00000) RY (39) C 14 s( 1.86%)p 0.36( 0.66%)d 1.79( 3.33%) f29.92( 55.51%)g20.83( 38.65%) 914. (0.00000) RY (40) C 14 s( 1.22%)p 0.38( 0.47%)d 8.68( 10.61%) f30.18( 36.87%)g41.61( 50.84%) 915. (0.00000) RY (41) C 14 s( 0.13%)p 4.71( 0.60%)d99.99( 13.02%) f99.99( 46.60%)g99.99( 39.65%) 916. (0.00000) RY (42) C 14 s( 4.56%)p 0.31( 1.40%)d 1.56( 7.13%) f13.85( 63.20%)g 5.19( 23.70%) 917. (0.00000) RY (43) C 14 s( 0.75%)p 0.50( 0.38%)d17.66( 13.25%) f53.30( 39.99%)g60.83( 45.64%) 918. (0.00000) RY (44) C 14 s( 5.96%)p 0.46( 2.71%)d 2.61( 15.57%) f 3.59( 21.35%)g 9.13( 54.40%) 919. (0.00000) RY (45) C 14 s( 2.90%)p 0.80( 2.34%)d11.90( 34.57%) f 8.56( 24.86%)g12.17( 35.34%) 920. (0.00000) RY (46) C 14 s( 9.69%)p 0.42( 4.04%)d 3.23( 31.32%) f 3.92( 37.97%)g 1.75( 16.99%) 921. (0.00000) RY (47) C 14 s( 10.37%)p 0.51( 5.34%)d 3.30( 34.26%) f 1.02( 10.53%)g 3.81( 39.50%) 922. (0.00000) RY (48) C 14 s( 9.14%)p 0.05( 0.46%)d 1.43( 13.05%) f 4.03( 36.80%)g 4.44( 40.54%) 923. (0.00000) RY (49) C 14 s( 13.14%)p 0.11( 1.45%)d 1.20( 15.80%) f 3.80( 49.95%)g 1.50( 19.67%) 924. (0.00000) RY (50) C 14 s( 14.51%)p 0.48( 7.02%)d 1.26( 18.23%) f 1.80( 26.13%)g 2.35( 34.12%) 925. (0.00000) RY (51) C 14 s( 9.59%)p 0.08( 0.77%)d 6.20( 59.45%) f 1.90( 18.24%)g 1.24( 11.94%) 926. (0.00000) RY (52) C 14 s( 16.66%)p 0.11( 1.79%)d 1.36( 22.74%) f 2.14( 35.65%)g 1.39( 23.16%) 927. (0.00237) RY ( 1) C 15 s( 16.36%)p 4.46( 72.90%)d 0.59( 9.57%) f 0.07( 1.10%)g 0.00( 0.07%) 0.0000 -0.0096 0.4021 -0.0398 -0.0094 0.0124 0.0002 0.0044 0.5279 -0.0361 -0.0040 -0.0066 0.4789 -0.0194 0.0190 -0.0194 0.4669 -0.0148 -0.0155 -0.0161 0.0695 -0.0017 0.0637 -0.0821 0.0033 -0.0689 0.0153 0.0058 0.1410 -0.0524 -0.0002 0.1631 -0.1600 0.0042 -0.0287 -0.0132 -0.0345 -0.0133 -0.0353 0.0079 -0.0658 0.0027 0.0020 -0.0008 -0.0184 0.0013 -0.0442 0.0258 -0.0005 -0.0155 0.0114 -0.0013 0.0173 0.0044 0.0017 0.0007 -0.0005 928. (0.00190) RY ( 2) C 15 s( 0.78%)p99.99( 94.68%)d 2.87( 2.24%) f 2.89( 2.26%)g 0.04( 0.03%) 0.0000 -0.0036 0.0880 -0.0052 -0.0033 0.0046 0.0002 -0.0405 -0.7793 -0.0361 -0.0219 0.0019 0.1894 0.0005 0.0091 0.0099 0.5460 0.0436 0.0085 -0.0359 -0.0597 0.0149 0.0421 -0.0751 -0.0063 -0.0361 0.0393 -0.0023 0.0477 -0.0394 0.0012 0.0477 -0.0289 0.0119 -0.0924 0.0129 0.0221 -0.0097 -0.0181 0.0096 0.0712 -0.0239 -0.0073 -0.0034 -0.0811 0.0210 -0.0129 0.0008 -0.0066 -0.0056 0.0074 0.0097 0.0026 -0.0047 -0.0038 -0.0054 0.0031 929. (0.00160) RY ( 3) C 15 s( 21.91%)p 2.10( 45.96%)d 1.38( 30.27%) f 0.08( 1.74%)g 0.01( 0.12%) 0.0000 0.0144 0.4648 0.0530 -0.0039 -0.0093 -0.0005 0.0036 -0.2368 0.0512 0.0001 -0.0321 0.3066 -0.0140 0.0060 0.0179 -0.5464 0.0821 0.0101 -0.0563 0.0545 -0.0025 -0.1006 0.2361 0.0072 -0.1394 -0.0083 -0.0070 0.3490 -0.2653 0.0166 0.0724 0.1136 0.0203 -0.0180 0.0113 0.0246 0.0113 -0.0918 0.0112 -0.0373 0.0076 -0.0675 0.0078 -0.0286 0.0067 -0.0221 0.0150 -0.0108 0.0245 0.0015 -0.0076 0.0016 -0.0202 0.0026 0.0012 0.0036 930. (0.00047) RY ( 4) C 15 s( 5.88%)p 4.37( 25.69%)d11.22( 66.01%) f 0.38( 2.25%)g 0.03( 0.17%) 0.0000 -0.0081 0.2414 -0.0132 -0.0005 -0.0171 0.0008 -0.0023 0.0616 0.4004 0.1032 0.0060 -0.2489 0.0824 -0.0418 -0.0047 0.0089 0.1070 0.0040 -0.1864 -0.6701 -0.0260 0.2335 -0.1504 0.0480 0.1685 0.1934 0.0342 0.0685 -0.1068 0.0288 0.1006 0.0332 -0.0328 0.0358 -0.0011 0.0414 -0.0121 0.0025 0.0499 0.0051 -0.0156 -0.0282 -0.0678 -0.0199 -0.0282 -0.0973 -0.0238 0.0114 -0.0158 0.0017 -0.0008 0.0294 -0.0058 -0.0167 -0.0089 0.0052 931. (0.00043) RY ( 5) C 15 s( 14.61%)p 2.34( 34.16%)d 3.08( 45.03%) f 0.40( 5.87%)g 0.02( 0.32%) 0.0000 0.0019 0.3590 -0.1291 0.0233 -0.0058 0.0013 -0.0012 -0.0591 -0.0623 -0.0594 -0.0271 -0.4428 0.3566 0.0071 0.0032 0.0240 0.0778 0.0076 0.2192 0.3900 0.0485 0.1676 -0.0239 -0.0366 0.3098 -0.1683 0.0686 0.0954 -0.0001 0.0187 0.2377 -0.1492 0.0250 0.0579 -0.0148 0.1425 -0.0157 0.0204 -0.0083 0.0310 -0.0059 0.0998 0.0360 -0.0347 0.0206 -0.1240 0.0697 0.0024 0.0206 0.0237 0.0262 0.0344 0.0105 0.0005 0.0013 -0.0162 932. (0.00025) RY ( 6) C 15 s( 0.29%)p40.86( 11.74%)d86.22( 24.77%) f99.99( 61.57%)g 5.70( 1.64%) 0.0000 -0.0059 0.0109 0.0514 -0.0017 -0.0088 -0.0008 0.0044 0.1212 0.0241 -0.1940 0.0057 -0.0556 -0.1257 -0.0198 -0.0093 -0.0751 0.1688 0.1044 -0.1118 0.1253 -0.0224 0.2189 -0.2979 -0.0717 -0.1593 -0.0820 0.0032 -0.0071 -0.0437 -0.0597 -0.0494 0.1839 0.0575 -0.4685 0.1236 0.2457 -0.0771 -0.0731 -0.0128 0.4628 -0.1553 -0.0340 0.0075 -0.2265 0.0805 0.1070 -0.0182 -0.1067 -0.0160 -0.0081 0.0616 -0.0164 0.0212 -0.0114 -0.0034 0.0050 933. (0.00024) RY ( 7) C 15 s( 2.94%)p 6.61( 19.43%)d21.66( 63.66%) f 4.38( 12.88%)g 0.37( 1.10%) 0.0000 -0.0169 0.1122 0.1273 0.0086 -0.0148 0.0001 -0.0142 -0.0883 0.1755 0.1099 0.0157 -0.1388 -0.2375 -0.0844 -0.0133 -0.0599 0.2350 0.0370 -0.2016 0.1613 0.0039 0.2751 -0.0983 0.0153 -0.4799 -0.2263 -0.0123 -0.1477 0.2986 -0.0180 0.1958 -0.2287 -0.0263 0.2149 -0.0997 -0.0655 -0.0099 0.0027 -0.0588 -0.1927 0.0330 -0.1451 0.0258 0.0515 -0.0234 0.0392 -0.0093 0.0283 -0.0803 -0.0136 -0.0419 -0.0267 0.0223 -0.0082 -0.0113 -0.0196 934. (0.00014) RY ( 8) C 15 s( 20.11%)p 2.13( 42.89%)d 1.54( 30.94%) f 0.29( 5.74%)g 0.02( 0.32%) 0.0000 -0.0030 0.4314 -0.1081 0.0489 -0.0293 0.0028 0.0045 0.0042 -0.5142 0.0267 0.0083 -0.2705 -0.2118 0.0033 0.0009 0.0221 -0.2123 0.0005 -0.2646 -0.0824 -0.0400 -0.1043 0.0948 -0.0452 -0.1173 0.2500 -0.0313 -0.3331 0.0271 0.0120 -0.0337 0.1297 -0.0458 0.0454 -0.0075 0.1467 -0.0115 0.0144 0.0115 -0.0447 0.0038 0.0994 -0.0331 -0.1017 0.0101 0.0985 -0.0132 0.0360 0.0220 -0.0104 0.0022 -0.0019 0.0153 0.0034 -0.0327 -0.0005 935. (0.00009) RY ( 9) C 15 s( 2.69%)p18.48( 49.63%)d12.82( 34.43%) f 4.68( 12.56%)g 0.26( 0.69%) 936. (0.00007) RY (10) C 15 s( 0.76%)p46.40( 35.10%)d57.95( 43.84%) f25.78( 19.50%)g 1.06( 0.80%) 937. (0.00005) RY (11) C 15 s( 7.97%)p 2.70( 21.52%)d 4.49( 35.80%) f 4.25( 33.87%)g 0.10( 0.84%) 938. (0.00003) RY (12) C 15 s( 2.51%)p 8.64( 21.68%)d20.39( 51.15%) f 8.57( 21.51%)g 1.26( 3.16%) 939. (0.00003) RY (13) C 15 s( 12.06%)p 0.76( 9.20%)d 4.87( 58.78%) f 1.49( 17.98%)g 0.16( 1.97%) 940. (0.00002) RY (14) C 15 s( 22.33%)p 1.19( 26.61%)d 1.58( 35.28%) f 0.54( 11.99%)g 0.17( 3.78%) 941. (0.00001) RY (15) C 15 s( 10.08%)p 0.10( 1.02%)d 4.40( 44.37%) f 3.37( 33.96%)g 1.05( 10.57%) 942. (0.00001) RY (16) C 15 s( 6.65%)p 1.45( 9.61%)d 5.14( 34.19%) f 7.21( 47.95%)g 0.24( 1.60%) 943. (0.00001) RY (17) C 15 s( 23.15%)p 0.58( 13.48%)d 0.47( 10.98%) f 2.04( 47.21%)g 0.22( 5.18%) 944. (0.00001) RY (18) C 15 s( 4.33%)p 6.46( 27.95%)d 9.98( 43.21%) f 5.48( 23.71%)g 0.18( 0.80%) 945. (0.00000) RY (19) C 15 s( 14.63%)p 1.42( 20.72%)d 3.23( 47.19%) f 0.86( 12.62%)g 0.33( 4.83%) 946. (0.00000) RY (20) C 15 s( 21.22%)p 0.39( 8.33%)d 0.85( 18.05%) f 0.28( 5.93%)g 2.19( 46.48%) 947. (0.00000) RY (21) C 15 s( 11.40%)p 0.30( 3.44%)d 0.85( 9.69%) f 2.15( 24.48%)g 4.47( 50.99%) 948. (0.00000) RY (22) C 15 s( 5.44%)p 1.57( 8.53%)d 8.22( 44.75%) f 5.15( 28.02%)g 2.43( 13.25%) 949. (0.00000) RY (23) C 15 s( 5.22%)p 2.11( 11.02%)d 6.89( 35.96%) f 2.38( 12.42%)g 6.78( 35.39%) 950. (0.00000) RY (24) C 15 s( 24.52%)p 0.65( 15.89%)d 0.64( 15.74%) f 0.70( 17.16%)g 1.09( 26.69%) 951. (0.00000) RY (25) C 15 s( 11.80%)p 3.12( 36.87%)d 1.07( 12.60%) f 1.27( 14.93%)g 2.02( 23.80%) 952. (0.00000) RY (26) C 15 s( 7.12%)p 3.63( 25.81%)d 3.80( 27.06%) f 2.55( 18.16%)g 3.07( 21.86%) 953. (0.00000) RY (27) C 15 s( 0.87%)p 9.69( 8.43%)d54.15( 47.08%) f38.29( 33.29%)g11.89( 10.34%) 954. (0.00000) RY (28) C 15 s( 4.88%)p 3.28( 16.02%)d 8.56( 41.78%) f 4.80( 23.40%)g 2.85( 13.92%) 955. (0.00000) RY (29) C 15 s( 6.27%)p 6.09( 38.18%)d 5.24( 32.83%) f 2.17( 13.60%)g 1.46( 9.13%) 956. (0.00000) RY (30) C 15 s( 3.15%)p 3.44( 10.84%)d11.00( 34.65%) f13.15( 41.43%)g 3.15( 9.93%) 957. (0.00000) RY (31) C 15 s( 7.23%)p 2.04( 14.75%)d 6.50( 47.05%) f 3.32( 24.04%)g 0.96( 6.93%) 958. (0.00000) RY (32) C 15 s( 4.82%)p 3.12( 15.02%)d 8.01( 38.61%) f 7.26( 34.97%)g 1.37( 6.58%) 959. (0.00000) RY (33) C 15 s( 8.20%)p 1.98( 16.21%)d 1.48( 12.16%) f 6.55( 53.72%)g 1.18( 9.71%) 960. (0.00000) RY (34) C 15 s( 1.69%)p22.97( 38.91%)d15.99( 27.09%) f17.28( 29.28%)g 1.79( 3.03%) 961. (0.00000) RY (35) C 15 s( 5.48%)p 1.87( 10.23%)d 5.40( 29.60%) f 9.05( 49.55%)g 0.94( 5.14%) 962. (0.00000) RY (36) C 15 s( 1.53%)p10.09( 15.43%)d23.66( 36.20%) f23.69( 36.23%)g 6.93( 10.60%) 963. (0.00000) RY (37) C 15 s( 18.81%)p 0.03( 0.58%)d 0.43( 8.07%) f 1.93( 36.27%)g 1.93( 36.26%) 964. (0.00000) RY (38) C 15 s( 17.06%)p 0.14( 2.41%)d 0.24( 4.08%) f 1.27( 21.65%)g 3.21( 54.80%) 965. (0.00000) RY (39) C 15 s( 46.40%)p 0.03( 1.40%)d 0.21( 9.86%) f 0.47( 22.00%)g 0.44( 20.33%) 966. (0.00000) RY (40) C 15 s( 5.62%)p 0.49( 2.78%)d 2.06( 11.58%) f 7.82( 43.96%)g 6.41( 36.06%) 967. (0.00000) RY (41) C 15 s( 8.31%)p 0.17( 1.41%)d 3.52( 29.22%) f 1.91( 15.87%)g 5.44( 45.19%) 968. (0.00000) RY (42) C 15 s( 10.33%)p 0.16( 1.68%)d 0.72( 7.45%) f 6.57( 67.86%)g 1.23( 12.68%) 969. (0.00000) RY (43) C 15 s( 7.45%)p 0.08( 0.59%)d 1.91( 14.25%) f 6.45( 48.06%)g 3.98( 29.65%) 970. (0.00000) RY (44) C 15 s( 2.89%)p 0.62( 1.79%)d 5.25( 15.14%) f 9.94( 28.68%)g17.84( 51.50%) 971. (0.00000) RY (45) C 15 s( 3.71%)p 0.18( 0.68%)d 2.59( 9.61%) f12.26( 45.47%)g10.93( 40.53%) 972. (0.00000) RY (46) C 15 s( 12.16%)p 0.20( 2.46%)d 2.34( 28.45%) f 2.82( 34.26%)g 1.86( 22.67%) 973. (0.00000) RY (47) C 15 s( 12.79%)p 0.05( 0.70%)d 0.60( 7.66%) f 5.18( 66.30%)g 0.98( 12.55%) 974. (0.00000) RY (48) C 15 s( 4.55%)p 0.06( 0.25%)d 2.77( 12.60%) f 5.54( 25.21%)g12.60( 57.38%) 975. (0.00000) RY (49) C 15 s( 8.56%)p 0.22( 1.86%)d 2.42( 20.70%) f 3.37( 28.84%)g 4.68( 40.04%) 976. (0.00000) RY (50) C 15 s( 0.25%)p 1.68( 0.42%)d99.99( 43.35%) f93.69( 23.56%)g99.99( 32.41%) 977. (0.00000) RY (51) C 15 s( 2.48%)p 1.17( 2.89%)d 4.44( 11.01%) f13.09( 32.51%)g20.58( 51.10%) 978. (0.00000) RY (52) C 15 s( 17.97%)p 0.05( 0.87%)d 2.43( 43.74%) f 1.24( 22.37%)g 0.84( 15.04%) 979. (0.00041) RY ( 1) H 16 s( 86.14%)p 0.13( 11.49%)d 0.03( 2.31%) f 0.00( 0.06%) -0.0056 0.9281 -0.0101 0.0031 0.1661 0.0172 0.0392 0.0082 0.0154 -0.0416 -0.2767 0.0781 0.0279 -0.0541 -0.0079 0.1139 -0.0234 -0.0548 0.0107 -0.0258 0.0103 -0.0521 -0.0028 0.0030 0.0063 -0.0072 -0.0118 0.0170 0.0061 -0.0031 980. (0.00034) RY ( 2) H 16 s( 1.02%)p73.35( 74.76%)d22.65( 23.09%) f 1.11( 1.13%) -0.0006 0.1004 -0.0088 0.0050 -0.3705 -0.0328 0.0543 -0.7676 -0.0950 0.0878 -0.0054 0.0195 0.0023 0.2707 -0.0185 0.0008 0.0011 -0.0003 0.0100 0.3954 -0.0272 -0.0075 -0.0002 0.0007 0.0185 0.0292 0.0076 0.0080 -0.0991 -0.0126 981. (0.00020) RY ( 3) H 16 s( 7.42%)p 8.44( 62.58%)d 3.68( 27.29%) f 0.36( 2.70%) 0.0006 0.2700 -0.0290 -0.0210 0.2078 -0.0374 0.0010 -0.0838 0.0245 -0.0016 0.7470 0.0008 -0.1251 -0.0029 -0.0264 -0.4329 0.0357 0.2293 -0.0192 -0.0146 0.0172 0.1724 -0.0197 -0.0814 -0.0387 0.0196 0.0770 -0.1121 0.0019 0.0050 982. (0.00010) RY ( 4) H 16 s( 85.03%)p 0.08( 6.44%)d 0.10( 8.16%) f 0.00( 0.36%) 0.0053 0.0606 0.9201 -0.0010 -0.1912 -0.0717 0.0221 0.0927 0.0400 -0.0089 0.1029 -0.0120 0.0351 -0.1861 0.0112 -0.0219 0.0024 0.0116 -0.0019 0.1340 -0.0123 -0.1679 0.0000 -0.0108 0.0235 -0.0139 0.0023 -0.0009 -0.0076 0.0515 983. (0.00003) RY ( 5) H 16 s( 1.77%)p37.62( 66.75%)d16.79( 29.79%) f 0.95( 1.69%) 984. (0.00001) RY ( 6) H 16 s( 1.82%)p14.39( 26.23%)d37.95( 69.17%) f 1.53( 2.79%) 985. (0.00000) RY ( 7) H 16 s( 5.57%)p11.36( 63.24%)d 5.02( 27.95%) f 0.58( 3.24%) 986. (0.00000) RY ( 8) H 16 s( 0.33%)p99.99( 40.49%)d99.99( 55.52%) f11.13( 3.66%) 987. (0.00000) RY ( 9) H 16 s( 4.86%)p 6.88( 33.45%)d12.40( 60.27%) f 0.29( 1.42%) 988. (0.00000) RY (10) H 16 s( 0.04%)p99.99( 3.95%)d99.99( 31.56%) f99.99( 64.46%) 989. (0.00000) RY (11) H 16 s( 0.42%)p42.76( 17.85%)d85.58( 35.71%) f99.99( 46.02%) 990. (0.00000) RY (12) H 16 s( 0.43%)p14.35( 6.15%)d52.88( 22.65%) f99.99( 70.78%) 991. (0.00000) RY (13) H 16 s( 0.22%)p52.05( 11.52%)d99.99( 26.65%) f99.99( 61.61%) 992. (0.00000) RY (14) H 16 s( 0.11%)p99.99( 12.73%)d99.99( 22.14%) f99.99( 65.02%) 993. (0.00000) RY (15) H 16 s( 0.53%)p90.78( 47.78%)d47.17( 24.83%) f51.06( 26.87%) 994. (0.00000) RY (16) H 16 s( 8.99%)p 4.87( 43.77%)d 0.43( 3.90%) f 4.82( 43.34%) 995. (0.00000) RY (17) H 16 s( 8.55%)p 4.86( 41.55%)d 2.19( 18.71%) f 3.65( 31.19%) 996. (0.00000) RY (18) H 16 s( 26.40%)p 1.42( 37.39%)d 0.43( 11.23%) f 0.95( 24.98%) 997. (0.00000) RY (19) H 16 s( 17.63%)p 2.06( 36.34%)d 0.98( 17.35%) f 1.63( 28.67%) 998. (0.00000) RY (20) H 16 s( 16.54%)p 2.09( 34.56%)d 2.37( 39.19%) f 0.59( 9.70%) 999. (0.00000) RY (21) H 16 s( 4.31%)p14.35( 61.80%)d 5.10( 21.95%) f 2.78( 11.95%) 1000. (0.00000) RY (22) H 16 s( 3.20%)p 7.03( 22.49%)d17.75( 56.82%) f 5.47( 17.49%) 1001. (0.00000) RY (23) H 16 s( 1.57%)p44.43( 69.76%)d16.97( 26.64%) f 1.29( 2.03%) 1002. (0.00000) RY (24) H 16 s( 15.65%)p 2.14( 33.44%)d 2.60( 40.66%) f 0.66( 10.26%) 1003. (0.00000) RY (25) H 16 s( 0.30%)p25.59( 7.56%)d99.99( 71.96%) f68.36( 20.19%) 1004. (0.00000) RY (26) H 16 s( 0.23%)p13.98( 3.23%)d99.99( 88.34%) f35.49( 8.20%) 1005. (0.00000) RY (27) H 16 s( 0.91%)p 5.71( 5.18%)d61.27( 55.56%) f42.30( 38.36%) 1006. (0.00000) RY (28) H 16 s( 0.06%)p99.99( 12.71%)d99.99( 45.15%) f99.99( 42.07%) 1007. (0.00000) RY (29) H 16 s( 0.10%)p46.42( 4.70%)d99.99( 35.45%) f99.99( 59.75%) 1008. (0.00033) RY ( 1) H 17 s( 1.82%)p42.27( 77.13%)d10.94( 19.96%) f 0.59( 1.08%) -0.0033 0.1303 0.0247 0.0252 0.8585 0.0964 -0.0874 -0.0476 0.0053 -0.0029 -0.1228 0.0016 -0.0055 -0.3380 0.0370 -0.2367 0.0162 0.0557 0.0004 -0.1299 -0.0021 0.0882 0.0005 0.0005 0.0114 -0.0162 0.0284 0.0668 -0.0545 0.0465 1009. (0.00023) RY ( 2) H 17 s( 4.98%)p13.90( 69.24%)d 4.81( 23.95%) f 0.37( 1.83%) 0.0041 0.1686 0.1457 0.0116 0.0611 -0.0137 0.0142 -0.4517 -0.0042 0.0323 0.6855 -0.0292 -0.1113 0.0337 0.0030 -0.0185 0.0121 -0.2441 0.0342 -0.2607 0.0119 -0.3277 0.0404 0.0280 0.0226 0.1125 0.0056 -0.0011 -0.0029 0.0656 1010. (0.00017) RY ( 3) H 17 s( 89.94%)p 0.07( 6.47%)d 0.04( 3.34%) f 0.00( 0.25%) -0.0031 0.9443 -0.0873 -0.0108 -0.1046 0.0192 -0.0080 0.1894 0.1016 -0.0240 -0.0546 0.0477 -0.0364 -0.0027 -0.0041 0.0410 0.0038 -0.1243 -0.0047 0.1223 0.0016 0.0358 0.0006 -0.0162 0.0025 -0.0135 -0.0293 -0.0194 0.0043 -0.0274 1011. (0.00007) RY ( 4) H 17 s( 78.74%)p 0.17( 13.63%)d 0.09( 7.01%) f 0.01( 0.61%) 1012. (0.00004) RY ( 5) H 17 s( 3.36%)p19.68( 66.18%)d 8.35( 28.07%) f 0.71( 2.39%) 1013. (0.00001) RY ( 6) H 17 s( 8.09%)p 7.22( 58.42%)d 3.96( 32.05%) f 0.18( 1.44%) 1014. (0.00001) RY ( 7) H 17 s( 7.00%)p 9.08( 63.49%)d 3.97( 27.79%) f 0.25( 1.73%) 1015. (0.00001) RY ( 8) H 17 s( 4.24%)p 7.93( 33.60%)d14.11( 59.80%) f 0.56( 2.36%) 1016. (0.00000) RY ( 9) H 17 s( 0.23%)p99.99( 23.97%)d99.99( 23.84%) f99.99( 51.96%) 1017. (0.00000) RY (10) H 17 s( 0.09%)p72.22( 6.21%)d99.99( 17.22%) f99.99( 76.48%) 1018. (0.00000) RY (11) H 17 s( 0.70%)p39.20( 27.64%)d38.08( 26.84%) f63.57( 44.81%) 1019. (0.00000) RY (12) H 17 s( 0.26%)p60.96( 15.80%)d90.18( 23.37%) f99.99( 60.57%) 1020. (0.00000) RY (13) H 17 s( 4.95%)p 7.08( 35.07%)d 4.05( 20.06%) f 8.05( 39.91%) 1021. (0.00000) RY (14) H 17 s( 0.26%)p99.99( 29.13%)d98.56( 25.21%) f99.99( 45.40%) 1022. (0.00000) RY (15) H 17 s( 12.45%)p 3.24( 40.33%)d 1.31( 16.36%) f 2.48( 30.86%) 1023. (0.00000) RY (16) H 17 s( 2.94%)p17.99( 52.94%)d 3.92( 11.54%) f11.07( 32.58%) 1024. (0.00000) RY (17) H 17 s( 24.49%)p 1.25( 30.71%)d 0.82( 20.04%) f 1.01( 24.75%) 1025. (0.00000) RY (18) H 17 s( 3.75%)p12.81( 48.04%)d 9.47( 35.52%) f 3.38( 12.68%) 1026. (0.00000) RY (19) H 17 s( 6.27%)p 3.72( 23.29%)d 5.22( 32.73%) f 6.02( 37.71%) 1027. (0.00000) RY (20) H 17 s( 5.19%)p 3.50( 18.17%)d14.43( 74.82%) f 0.35( 1.82%) 1028. (0.00000) RY (21) H 17 s( 12.94%)p 3.47( 44.84%)d 3.13( 40.54%) f 0.13( 1.68%) 1029. (0.00000) RY (22) H 17 s( 23.17%)p 1.02( 23.72%)d 2.07( 48.02%) f 0.22( 5.10%) 1030. (0.00000) RY (23) H 17 s( 3.72%)p14.86( 55.20%)d 9.65( 35.84%) f 1.41( 5.25%) 1031. (0.00000) RY (24) H 17 s( 0.09%)p99.99( 11.96%)d99.99( 82.64%) f61.40( 5.31%) 1032. (0.00000) RY (25) H 17 s( 0.00%)p 1.00( 1.69%)d36.51( 61.69%) f21.67( 36.62%) 1033. (0.00000) RY (26) H 17 s( 0.09%)p26.15( 2.43%)d99.99( 49.02%) f99.99( 48.46%) 1034. (0.00000) RY (27) H 17 s( 0.07%)p99.99( 18.11%)d99.99( 53.61%) f99.99( 28.20%) 1035. (0.00000) RY (28) H 17 s( 0.14%)p 8.72( 1.22%)d99.99( 25.40%) f99.99( 73.24%) 1036. (0.00000) RY (29) H 17 s( 0.17%)p 7.34( 1.24%)d99.99( 73.69%) f99.99( 24.90%) 1037. (0.00034) RY ( 1) H 18 s( 5.28%)p14.36( 75.89%)d 3.41( 18.02%) f 0.15( 0.81%) 0.0019 0.2205 0.0560 -0.0326 -0.4601 -0.0462 0.0357 0.6699 0.1139 -0.0595 0.2778 0.0373 0.0019 0.0432 -0.0097 0.1819 -0.0126 -0.1393 0.0083 -0.3308 0.0263 -0.1241 0.0055 0.0080 -0.0275 -0.0084 0.0641 -0.0071 -0.0388 -0.0388 1038. (0.00027) RY ( 2) H 18 s( 91.54%)p 0.05( 4.58%)d 0.04( 3.67%) f 0.00( 0.22%) -0.0025 0.9566 -0.0154 0.0105 0.0886 0.0441 -0.0504 -0.1699 0.0305 -0.0009 0.0396 -0.0310 0.0329 0.0740 0.0129 -0.1332 -0.0072 0.0288 -0.0065 0.1106 -0.0107 -0.0029 -0.0002 0.0095 0.0009 -0.0019 -0.0318 -0.0158 0.0047 0.0280 1039. (0.00020) RY ( 3) H 18 s( 0.84%)p81.04( 67.68%)d35.01( 29.24%) f 2.70( 2.25%) -0.0013 0.0871 -0.0036 -0.0273 -0.4483 0.0354 0.0618 -0.0649 -0.0176 0.0189 -0.6708 0.0421 0.1185 -0.2709 0.0125 -0.1645 0.0180 -0.1975 0.0332 -0.1814 0.0118 0.3415 -0.0417 -0.0279 0.0847 0.0896 0.0210 -0.0034 0.0033 -0.0778 1040. (0.00007) RY ( 4) H 18 s( 66.50%)p 0.39( 26.11%)d 0.11( 7.01%) f 0.01( 0.38%) 1041. (0.00003) RY ( 5) H 18 s( 1.13%)p63.87( 71.93%)d22.62( 25.47%) f 1.31( 1.48%) 1042. (0.00001) RY ( 6) H 18 s( 14.20%)p 3.70( 52.55%)d 2.05( 29.13%) f 0.29( 4.12%) 1043. (0.00001) RY ( 7) H 18 s( 10.60%)p 3.20( 33.98%)d 4.80( 50.90%) f 0.43( 4.52%) 1044. (0.00001) RY ( 8) H 18 s( 15.35%)p 4.26( 65.33%)d 1.17( 17.95%) f 0.09( 1.37%) 1045. (0.00000) RY ( 9) H 18 s( 39.97%)p 0.43( 17.08%)d 0.74( 29.59%) f 0.33( 13.36%) 1046. (0.00000) RY (10) H 18 s( 0.04%)p99.99( 9.01%)d99.99( 31.20%) f99.99( 59.76%) 1047. (0.00000) RY (11) H 18 s( 0.37%)p19.69( 7.36%)d74.11( 27.68%) f99.99( 64.59%) 1048. (0.00000) RY (12) H 18 s( 3.23%)p 8.86( 28.59%)d 9.29( 29.97%) f11.84( 38.22%) 1049. (0.00000) RY (13) H 18 s( 0.49%)p69.86( 34.26%)d76.91( 37.72%) f56.13( 27.53%) 1050. (0.00000) RY (14) H 18 s( 2.22%)p 8.97( 19.89%)d11.13( 24.68%) f24.00( 53.22%) 1051. (0.00000) RY (15) H 18 s( 0.94%)p41.24( 38.83%)d23.14( 21.78%) f40.82( 38.44%) 1052. (0.00000) RY (16) H 18 s( 1.90%)p30.79( 58.36%)d 9.67( 18.33%) f11.30( 21.42%) 1053. (0.00000) RY (17) H 18 s( 12.45%)p 2.31( 28.82%)d 1.56( 19.44%) f 3.16( 39.29%) 1054. (0.00000) RY (18) H 18 s( 4.23%)p10.05( 42.53%)d 4.83( 20.42%) f 7.76( 32.81%) 1055. (0.00000) RY (19) H 18 s( 0.79%)p42.79( 33.87%)d76.99( 60.95%) f 5.54( 4.39%) 1056. (0.00000) RY (20) H 18 s( 0.66%)p81.21( 53.83%)d46.59( 30.88%) f22.06( 14.62%) 1057. (0.00000) RY (21) H 18 s( 8.31%)p 3.38( 28.14%)d 7.15( 59.44%) f 0.49( 4.11%) 1058. (0.00000) RY (22) H 18 s( 1.82%)p27.68( 50.44%)d24.67( 44.95%) f 1.53( 2.79%) 1059. (0.00000) RY (23) H 18 s( 15.82%)p 1.07( 16.97%)d 4.07( 64.33%) f 0.18( 2.87%) 1060. (0.00000) RY (24) H 18 s( 0.31%)p32.93( 10.21%)d99.99( 84.14%) f17.26( 5.35%) 1061. (0.00000) RY (25) H 18 s( 0.10%)p15.39( 1.50%)d99.99( 54.47%) f99.99( 43.93%) 1062. (0.00000) RY (26) H 18 s( 0.08%)p56.85( 4.48%)d99.99( 72.38%) f99.99( 23.06%) 1063. (0.00000) RY (27) H 18 s( 0.14%)p27.82( 3.96%)d99.99( 30.18%) f99.99( 65.71%) 1064. (0.00000) RY (28) H 18 s( 0.26%)p17.00( 4.37%)d24.46( 6.29%) f99.99( 89.07%) 1065. (0.00000) RY (29) H 18 s( 0.56%)p16.61( 9.34%)d88.55( 49.78%) f71.71( 40.32%) 1066. (0.00040) RY ( 1) H 19 s( 89.59%)p 0.10( 8.60%)d 0.02( 1.77%) f 0.00( 0.04%) -0.0056 0.9464 -0.0119 0.0037 0.2452 -0.0325 0.0280 0.0668 -0.0841 -0.0485 0.0877 -0.0471 -0.0147 -0.0783 -0.0028 -0.0507 0.0145 0.0066 -0.0042 -0.0879 0.0233 -0.0205 -0.0074 -0.0083 -0.0040 -0.0023 0.0048 0.0081 0.0152 -0.0003 1067. (0.00034) RY ( 2) H 19 s( 0.12%)p99.99( 74.58%)d99.99( 24.03%) f10.98( 1.28%) 0.0005 0.0309 0.0143 0.0018 -0.2767 -0.0444 0.0393 -0.3112 -0.0218 0.0388 0.7420 0.0860 -0.0946 0.0535 -0.0074 -0.3397 0.0227 0.2557 -0.0126 0.2302 -0.0152 -0.0507 0.0083 -0.0575 0.0219 -0.0095 0.0250 -0.0710 -0.0552 0.0124 1068. (0.00019) RY ( 3) H 19 s( 4.61%)p13.62( 62.77%)d 6.41( 29.53%) f 0.67( 3.09%) 0.0006 0.2057 -0.0556 -0.0263 -0.1724 -0.0297 0.0589 -0.6771 0.0282 0.0976 -0.3479 0.0015 0.0619 0.2732 -0.0390 0.2889 -0.0149 -0.0282 0.0050 0.3659 -0.0217 0.0035 -0.0177 0.0664 0.0006 0.0363 -0.0608 0.0341 -0.1425 -0.0010 1069. (0.00010) RY ( 4) H 19 s( 85.09%)p 0.08( 6.96%)d 0.09( 7.58%) f 0.00( 0.37%) 0.0052 0.0709 0.9197 -0.0037 -0.2242 -0.0727 0.0063 0.0539 0.0725 -0.0331 -0.0678 0.0138 0.0037 -0.2006 0.0064 0.0595 -0.0101 -0.0533 -0.0005 0.1191 -0.0037 -0.1215 0.0079 0.0065 0.0299 -0.0189 -0.0216 0.0180 -0.0042 0.0399 1070. (0.00004) RY ( 5) H 19 s( 1.58%)p41.57( 65.70%)d19.76( 31.23%) f 0.94( 1.49%) 1071. (0.00001) RY ( 6) H 19 s( 3.69%)p 8.38( 30.88%)d16.72( 61.61%) f 1.04( 3.83%) 1072. (0.00000) RY ( 7) H 19 s( 3.06%)p12.73( 38.96%)d16.74( 51.24%) f 2.20( 6.74%) 1073. (0.00000) RY ( 8) H 19 s( 3.18%)p11.43( 36.41%)d18.06( 57.51%) f 0.91( 2.90%) 1074. (0.00000) RY ( 9) H 19 s( 3.77%)p12.99( 48.94%)d12.05( 45.38%) f 0.51( 1.91%) 1075. (0.00000) RY (10) H 19 s( 0.04%)p73.95( 3.04%)d99.99( 15.69%) f99.99( 81.23%) 1076. (0.00000) RY (11) H 19 s( 0.82%)p 6.01( 4.90%)d14.81( 12.08%) f99.99( 82.20%) 1077. (0.00000) RY (12) H 19 s( 0.30%)p 7.78( 2.32%)d99.99( 35.34%) f99.99( 62.05%) 1078. (0.00000) RY (13) H 19 s( 0.06%)p99.99( 34.53%)d99.99( 25.47%) f99.99( 39.95%) 1079. (0.00000) RY (14) H 19 s( 0.57%)p42.34( 24.30%)d44.51( 25.54%) f86.38( 49.58%) 1080. (0.00000) RY (15) H 19 s( 4.62%)p 6.92( 32.00%)d 5.00( 23.12%) f 8.71( 40.26%) 1081. (0.00000) RY (16) H 19 s( 2.36%)p30.09( 71.04%)d 5.61( 13.24%) f 5.66( 13.36%) 1082. (0.00000) RY (17) H 19 s( 14.76%)p 1.19( 17.58%)d 0.70( 10.38%) f 3.88( 57.28%) 1083. (0.00000) RY (18) H 19 s( 21.29%)p 1.53( 32.62%)d 0.87( 18.53%) f 1.29( 27.55%) 1084. (0.00000) RY (19) H 19 s( 11.48%)p 3.24( 37.25%)d 1.71( 19.62%) f 2.76( 31.65%) 1085. (0.00000) RY (20) H 19 s( 14.92%)p 2.90( 43.21%)d 2.26( 33.75%) f 0.54( 8.12%) 1086. (0.00000) RY (21) H 19 s( 8.85%)p 7.55( 66.87%)d 2.33( 20.64%) f 0.41( 3.64%) 1087. (0.00000) RY (22) H 19 s( 3.11%)p 8.27( 25.72%)d17.34( 53.90%) f 5.56( 17.27%) 1088. (0.00000) RY (23) H 19 s( 8.11%)p 9.20( 74.65%)d 1.92( 15.56%) f 0.21( 1.68%) 1089. (0.00000) RY (24) H 19 s( 12.29%)p 2.05( 25.18%)d 3.99( 49.06%) f 1.10( 13.48%) 1090. (0.00000) RY (25) H 19 s( 0.10%)p99.99( 15.56%)d99.99( 62.41%) f99.99( 21.93%) 1091. (0.00000) RY (26) H 19 s( 0.01%)p 1.00( 4.93%)d14.91( 73.50%) f 4.37( 21.56%) 1092. (0.00000) RY (27) H 19 s( 0.01%)p99.99( 2.09%)d99.99( 77.64%) f99.99( 20.25%) 1093. (0.00000) RY (28) H 19 s( 1.36%)p 0.96( 1.32%)d38.88( 53.02%) f32.49( 44.30%) 1094. (0.00000) RY (29) H 19 s( 0.41%)p17.10( 6.95%)d99.99( 51.63%) f99.99( 41.01%) 1095. (0.00037) RY ( 1) H 20 s( 1.81%)p43.91( 79.50%)d 9.71( 17.58%) f 0.61( 1.11%) 0.0042 0.1303 0.0314 -0.0106 -0.5497 -0.0398 0.0364 0.3574 0.0612 -0.0422 -0.5929 -0.0612 0.0385 -0.0357 -0.0049 -0.0789 0.0078 -0.2344 0.0134 -0.2982 0.0203 0.1529 -0.0189 0.0157 0.0467 0.0378 0.0360 -0.0313 -0.0533 -0.0459 1096. (0.00025) RY ( 2) H 20 s( 3.34%)p22.18( 74.08%)d 6.18( 20.63%) f 0.58( 1.95%) -0.0023 0.1812 0.0225 -0.0076 -0.1066 0.0148 -0.0076 0.6511 -0.0151 -0.0794 0.5444 -0.0055 -0.0490 0.1829 -0.0355 0.2716 -0.0161 -0.0314 0.0042 -0.2069 0.0202 -0.2300 0.0225 -0.0263 -0.0736 -0.0435 0.0737 0.0097 -0.0770 -0.0021 1097. (0.00017) RY ( 3) H 20 s( 90.38%)p 0.05( 4.80%)d 0.05( 4.53%) f 0.00( 0.29%) -0.0011 0.9503 0.0245 0.0040 0.0797 0.0626 -0.0521 -0.1606 0.0549 -0.0278 -0.0259 -0.0665 0.0195 0.0819 0.0089 -0.0907 -0.0025 -0.0308 -0.0092 0.1709 0.0047 -0.0065 0.0024 0.0068 -0.0046 0.0066 -0.0342 -0.0181 0.0273 0.0229 1098. (0.00012) RY ( 4) H 20 s( 79.46%)p 0.22( 17.13%)d 0.04( 3.30%) f 0.00( 0.12%) 0.0107 -0.0643 0.8890 0.0038 0.3076 0.0931 0.0110 0.1115 0.0778 -0.0526 -0.1960 -0.0653 -0.0629 0.1255 -0.0185 -0.0144 0.0104 -0.0430 0.0036 -0.0053 -0.0038 -0.1208 0.0074 0.0029 -0.0143 -0.0151 -0.0111 -0.0169 -0.0055 0.0184 1099. (0.00004) RY ( 5) H 20 s( 3.15%)p19.26( 60.76%)d10.63( 33.51%) f 0.82( 2.57%) 1100. (0.00002) RY ( 6) H 20 s( 1.99%)p22.23( 44.31%)d25.50( 50.82%) f 1.44( 2.88%) 1101. (0.00001) RY ( 7) H 20 s( 13.21%)p 4.95( 65.35%)d 1.54( 20.28%) f 0.09( 1.17%) 1102. (0.00000) RY ( 8) H 20 s( 1.62%)p22.61( 36.61%)d36.87( 59.71%) f 1.27( 2.05%) 1103. (0.00000) RY ( 9) H 20 s( 1.03%)p16.05( 16.51%)d18.44( 18.96%) f61.73( 63.50%) 1104. (0.00000) RY (10) H 20 s( 0.03%)p99.99( 22.61%)d99.99( 18.44%) f99.99( 58.92%) 1105. (0.00000) RY (11) H 20 s( 0.16%)p99.99( 37.05%)d99.99( 28.19%) f99.99( 34.60%) 1106. (0.00000) RY (12) H 20 s( 1.00%)p26.07( 26.06%)d27.41( 27.40%) f45.57( 45.55%) 1107. (0.00000) RY (13) H 20 s( 15.03%)p 2.81( 42.26%)d 1.43( 21.51%) f 1.41( 21.19%) 1108. (0.00000) RY (14) H 20 s( 0.38%)p99.99( 43.61%)d55.76( 21.44%) f89.89( 34.56%) 1109. (0.00000) RY (15) H 20 s( 2.77%)p22.95( 63.57%)d 3.68( 10.18%) f 8.48( 23.48%) 1110. (0.00000) RY (16) H 20 s( 1.55%)p14.23( 22.05%)d27.56( 42.71%) f21.73( 33.68%) 1111. (0.00000) RY (17) H 20 s( 13.31%)p 3.08( 41.05%)d 1.24( 16.46%) f 2.19( 29.18%) 1112. (0.00000) RY (18) H 20 s( 16.17%)p 2.19( 35.44%)d 1.28( 20.65%) f 1.72( 27.74%) 1113. (0.00000) RY (19) H 20 s( 9.08%)p 2.98( 27.09%)d 6.44( 58.48%) f 0.59( 5.35%) 1114. (0.00000) RY (20) H 20 s( 1.05%)p26.99( 28.41%)d66.75( 70.26%) f 0.26( 0.27%) 1115. (0.00000) RY (21) H 20 s( 41.19%)p 0.68( 28.06%)d 0.52( 21.28%) f 0.23( 9.47%) 1116. (0.00000) RY (22) H 20 s( 2.21%)p20.39( 45.02%)d21.59( 47.65%) f 2.32( 5.13%) 1117. (0.00000) RY (23) H 20 s( 0.01%)p 1.00( 1.61%)d51.29( 82.83%) f 9.63( 15.55%) 1118. (0.00000) RY (24) H 20 s( 0.01%)p99.99( 4.10%)d99.99( 78.58%) f99.99( 17.31%) 1119. (0.00000) RY (25) H 20 s( 0.06%)p99.99( 15.06%)d99.99( 73.68%) f99.99( 11.21%) 1120. (0.00000) RY (26) H 20 s( 0.04%)p99.99( 5.10%)d99.99( 26.42%) f99.99( 68.44%) 1121. (0.00000) RY (27) H 20 s( 0.01%)p 1.00( 6.71%)d 5.76( 38.65%) f 8.13( 54.62%) 1122. (0.00000) RY (28) H 20 s( 0.00%)p 1.00( 3.18%)d10.99( 34.94%) f19.47( 61.88%) 1123. (0.00000) RY (29) H 20 s( 0.08%)p34.43( 2.77%)d99.99( 30.91%) f99.99( 66.23%) 1124. (0.00034) RY ( 1) H 21 s( 2.58%)p29.98( 77.44%)d 7.33( 18.94%) f 0.40( 1.04%) 0.0030 0.1567 0.0237 -0.0268 -0.8519 -0.1297 0.0700 -0.0241 0.0081 -0.0145 0.1522 0.0460 -0.0274 0.0038 -0.0078 -0.4008 0.0249 0.0198 0.0026 -0.0725 0.0073 0.1491 -0.0134 0.0466 -0.0846 0.0084 -0.0260 0.0054 -0.0165 0.0035 1125. (0.00019) RY ( 2) H 21 s( 21.99%)p 2.30( 50.62%)d 1.14( 25.16%) f 0.10( 2.23%) 0.0003 0.4668 -0.0331 0.0309 0.0254 -0.0179 -0.0164 -0.6834 0.0429 0.1153 -0.1371 0.0632 -0.0024 -0.0666 0.0125 0.0971 0.0079 -0.4760 0.0379 -0.0916 0.0044 -0.0200 0.0258 -0.0138 0.0224 -0.1369 -0.0220 -0.0479 -0.0083 -0.0002 1126. (0.00017) RY ( 3) H 21 s( 69.44%)p 0.21( 14.70%)d 0.22( 15.01%) f 0.01( 0.85%) -0.0003 0.8319 0.0473 -0.0104 0.1063 -0.0061 -0.0559 0.3117 -0.0984 -0.1202 0.0680 0.0709 -0.0406 0.0530 -0.0037 0.1467 -0.0112 0.2834 -0.0358 0.1594 0.0051 0.1363 -0.0019 0.0257 0.0321 0.0700 0.0263 0.0279 0.0123 -0.0165 1127. (0.00007) RY ( 4) H 21 s( 72.42%)p 0.28( 20.58%)d 0.09( 6.79%) f 0.00( 0.20%) 1128. (0.00002) RY ( 5) H 21 s( 2.29%)p33.33( 76.38%)d 8.50( 19.48%) f 0.81( 1.85%) 1129. (0.00001) RY ( 6) H 21 s( 11.02%)p 5.37( 59.11%)d 2.44( 26.84%) f 0.28( 3.03%) 1130. (0.00001) RY ( 7) H 21 s( 4.74%)p11.00( 52.11%)d 8.66( 41.03%) f 0.45( 2.13%) 1131. (0.00000) RY ( 8) H 21 s( 14.28%)p 4.15( 59.30%)d 1.50( 21.41%) f 0.35( 5.01%) 1132. (0.00000) RY ( 9) H 21 s( 22.22%)p 0.66( 14.61%)d 2.38( 52.86%) f 0.46( 10.31%) 1133. (0.00000) RY (10) H 21 s( 0.07%)p55.33( 4.08%)d99.99( 20.67%) f99.99( 75.17%) 1134. (0.00000) RY (11) H 21 s( 0.54%)p19.35( 10.47%)d90.04( 48.74%) f74.36( 40.25%) 1135. (0.00000) RY (12) H 21 s( 0.98%)p25.65( 25.26%)d33.45( 32.94%) f41.45( 40.82%) 1136. (0.00000) RY (13) H 21 s( 2.62%)p17.90( 46.98%)d 9.62( 25.24%) f 9.59( 25.16%) 1137. (0.00000) RY (14) H 21 s( 2.24%)p11.48( 25.74%)d 7.41( 16.61%) f24.71( 55.40%) 1138. (0.00000) RY (15) H 21 s( 2.76%)p12.07( 33.28%)d 9.54( 26.31%) f13.65( 37.65%) 1139. (0.00000) RY (16) H 21 s( 3.74%)p15.82( 59.18%)d 4.07( 15.23%) f 5.84( 21.85%) 1140. (0.00000) RY (17) H 21 s( 12.23%)p 3.14( 38.45%)d 1.84( 22.45%) f 2.20( 26.87%) 1141. (0.00000) RY (18) H 21 s( 2.42%)p12.25( 29.65%)d 3.81( 9.22%) f24.25( 58.71%) 1142. (0.00000) RY (19) H 21 s( 0.13%)p99.99( 38.33%)d99.99( 53.94%) f59.20( 7.61%) 1143. (0.00000) RY (20) H 21 s( 9.51%)p 2.36( 22.46%)d 6.31( 60.00%) f 0.84( 8.03%) 1144. (0.00000) RY (21) H 21 s( 11.67%)p 3.57( 41.67%)d 3.46( 40.41%) f 0.54( 6.24%) 1145. (0.00000) RY (22) H 21 s( 2.93%)p13.13( 38.48%)d19.46( 57.01%) f 0.54( 1.58%) 1146. (0.00000) RY (23) H 21 s( 26.31%)p 0.92( 24.30%)d 1.61( 42.43%) f 0.26( 6.96%) 1147. (0.00000) RY (24) H 21 s( 0.05%)p99.99( 4.91%)d99.99( 67.72%) f99.99( 27.32%) 1148. (0.00000) RY (25) H 21 s( 0.03%)p99.99( 5.59%)d99.99( 45.58%) f99.99( 48.80%) 1149. (0.00000) RY (26) H 21 s( 0.11%)p48.20( 5.34%)d99.99( 83.82%) f96.98( 10.74%) 1150. (0.00000) RY (27) H 21 s( 0.37%)p14.35( 5.38%)d54.65( 20.48%) f99.99( 73.77%) 1151. (0.00000) RY (28) H 21 s( 0.23%)p43.39( 9.85%)d99.99( 56.39%) f99.99( 33.54%) 1152. (0.00000) RY (29) H 21 s( 0.20%)p28.47( 5.62%)d99.99( 27.30%) f99.99( 66.88%) 1153. (0.00042) RY ( 1) H 22 s( 82.89%)p 0.17( 14.10%)d 0.03( 2.89%) f 0.00( 0.12%) -0.0047 0.9104 -0.0050 0.0024 0.0176 0.0280 0.0615 -0.2116 0.0710 -0.0090 0.2922 -0.0126 -0.0270 -0.0072 -0.0184 -0.1078 0.0122 0.0913 -0.0108 0.0891 -0.0150 0.0035 -0.0072 -0.0268 -0.0018 0.0058 -0.0010 -0.0184 -0.0081 0.0033 1154. (0.00034) RY ( 2) H 22 s( 3.93%)p18.50( 72.67%)d 5.66( 22.23%) f 0.30( 1.18%) -0.0006 0.1977 -0.0127 0.0072 -0.2114 -0.0193 0.0410 -0.3625 -0.0187 0.0337 -0.7286 -0.0989 0.0804 0.0869 -0.0075 0.3368 -0.0189 -0.2201 0.0167 0.2238 -0.0166 -0.0412 -0.0064 0.0578 0.0054 0.0008 -0.0268 0.0709 -0.0507 0.0107 1155. (0.00020) RY ( 3) H 22 s( 8.64%)p 7.33( 63.28%)d 2.94( 25.42%) f 0.31( 2.67%) 0.0007 0.2923 -0.0220 -0.0209 0.5203 -0.0356 -0.0475 0.4810 0.0347 -0.0885 -0.3404 -0.0051 0.0477 -0.1352 -0.0139 0.1281 -0.0158 -0.1877 0.0091 -0.4239 0.0430 -0.0435 -0.0162 0.0539 -0.0068 -0.0390 -0.0068 0.0488 0.1372 -0.0309 1156. (0.00009) RY ( 4) H 22 s( 86.53%)p 0.07( 6.03%)d 0.08( 7.10%) f 0.00( 0.34%) 1157. (0.00003) RY ( 5) H 22 s( 1.22%)p53.96( 65.72%)d25.44( 30.98%) f 1.71( 2.08%) 1158. (0.00001) RY ( 6) H 22 s( 0.92%)p22.85( 21.12%)d81.25( 75.09%) f 3.11( 2.87%) 1159. (0.00000) RY ( 7) H 22 s( 4.02%)p12.78( 51.39%)d10.60( 42.61%) f 0.49( 1.98%) 1160. (0.00000) RY ( 8) H 22 s( 4.67%)p 7.21( 33.70%)d12.65( 59.12%) f 0.54( 2.50%) 1161. (0.00000) RY ( 9) H 22 s( 3.97%)p15.50( 61.56%)d 7.75( 30.77%) f 0.93( 3.70%) 1162. (0.00000) RY (10) H 22 s( 3.56%)p 3.36( 11.99%)d13.05( 46.53%) f10.64( 37.92%) 1163. (0.00000) RY (11) H 22 s( 0.50%)p20.37( 10.13%)d31.58( 15.71%) f99.99( 73.66%) 1164. (0.00000) RY (12) H 22 s( 1.29%)p 8.61( 11.14%)d16.80( 21.73%) f50.89( 65.83%) 1165. (0.00000) RY (13) H 22 s( 0.60%)p38.07( 22.93%)d69.51( 41.85%) f57.48( 34.62%) 1166. (0.00000) RY (14) H 22 s( 3.57%)p 6.93( 24.77%)d 4.79( 17.10%) f15.27( 54.56%) 1167. (0.00000) RY (15) H 22 s( 0.90%)p34.90( 31.55%)d28.15( 25.45%) f46.56( 42.09%) 1168. (0.00000) RY (16) H 22 s( 0.78%)p64.72( 50.72%)d11.85( 9.28%) f50.03( 39.21%) 1169. (0.00000) RY (17) H 22 s( 42.18%)p 0.72( 30.37%)d 0.37( 15.41%) f 0.29( 12.04%) 1170. (0.00000) RY (18) H 22 s( 8.48%)p 2.61( 22.11%)d 1.02( 8.62%) f 7.16( 60.79%) 1171. (0.00000) RY (19) H 22 s( 8.55%)p 3.59( 30.70%)d 2.40( 20.50%) f 4.71( 40.25%) 1172. (0.00000) RY (20) H 22 s( 7.47%)p 6.62( 49.45%)d 5.17( 38.63%) f 0.60( 4.45%) 1173. (0.00000) RY (21) H 22 s( 2.04%)p22.82( 46.47%)d20.95( 42.65%) f 4.34( 8.84%) 1174. (0.00000) RY (22) H 22 s( 1.80%)p19.27( 34.63%)d23.16( 41.64%) f12.20( 21.93%) 1175. (0.00000) RY (23) H 22 s( 2.11%)p35.84( 75.64%)d 9.50( 20.05%) f 1.04( 2.20%) 1176. (0.00000) RY (24) H 22 s( 16.59%)p 1.46( 24.16%)d 3.00( 49.85%) f 0.57( 9.39%) 1177. (0.00000) RY (25) H 22 s( 0.23%)p62.38( 14.53%)d99.99( 75.73%) f40.82( 9.51%) 1178. (0.00000) RY (26) H 22 s( 0.01%)p99.99( 1.93%)d99.99( 87.57%) f99.99( 10.49%) 1179. (0.00000) RY (27) H 22 s( 0.05%)p99.99( 7.87%)d99.99( 49.83%) f99.99( 42.25%) 1180. (0.00000) RY (28) H 22 s( 1.21%)p 6.65( 8.04%)d40.35( 48.79%) f34.70( 41.96%) 1181. (0.00000) RY (29) H 22 s( 1.40%)p 0.83( 1.16%)d19.13( 26.87%) f50.23( 70.57%) 1182. (0.00034) RY ( 1) H 23 s( 1.74%)p45.05( 78.20%)d10.90( 18.92%) f 0.66( 1.14%) -0.0008 0.1310 0.0144 0.0015 0.5105 0.0669 -0.0487 -0.6462 -0.0629 0.0478 -0.2935 -0.0554 0.0392 -0.0812 0.0151 0.2295 -0.0096 -0.2853 0.0170 -0.0236 -0.0066 -0.2160 0.0254 -0.0680 0.0466 -0.0522 -0.0006 -0.0414 -0.0146 -0.0011 1183. (0.00023) RY ( 2) H 23 s( 5.46%)p12.87( 70.28%)d 4.10( 22.37%) f 0.35( 1.89%) 0.0022 0.1718 0.1570 0.0206 0.6377 -0.0029 -0.0608 0.5308 -0.0009 -0.0901 -0.0359 0.0222 0.0290 0.0764 0.0019 0.3124 -0.0262 0.2889 -0.0386 0.1834 -0.0140 -0.0173 0.0225 0.0005 0.0934 0.0612 0.0735 -0.0081 0.0303 -0.0015 1184. (0.00016) RY ( 3) H 23 s( 87.41%)p 0.10( 8.36%)d 0.05( 3.98%) f 0.00( 0.25%) -0.0038 0.9290 -0.1051 -0.0064 -0.2256 -0.0448 -0.0176 0.0034 -0.0029 -0.0297 -0.0947 -0.1381 0.0380 0.0434 0.0041 -0.1228 -0.0049 0.0921 -0.0023 0.0186 0.0060 -0.1179 -0.0037 -0.0013 -0.0396 0.0154 -0.0083 0.0136 0.0083 0.0183 1185. (0.00007) RY ( 4) H 23 s( 67.12%)p 0.24( 16.14%)d 0.23( 15.57%) f 0.02( 1.17%) 1186. (0.00004) RY ( 5) H 23 s( 18.31%)p 3.16( 57.92%)d 1.20( 21.98%) f 0.10( 1.79%) 1187. (0.00001) RY ( 6) H 23 s( 1.49%)p29.95( 44.48%)d34.65( 51.45%) f 1.74( 2.58%) 1188. (0.00001) RY ( 7) H 23 s( 13.17%)p 5.49( 72.34%)d 0.99( 13.00%) f 0.11( 1.49%) 1189. (0.00000) RY ( 8) H 23 s( 1.96%)p18.21( 35.67%)d30.96( 60.64%) f 0.89( 1.74%) 1190. (0.00000) RY ( 9) H 23 s( 0.90%)p 1.76( 1.58%)d22.25( 19.95%) f86.54( 77.58%) 1191. (0.00000) RY (10) H 23 s( 1.00%)p16.99( 17.05%)d19.71( 19.78%) f61.94( 62.17%) 1192. (0.00000) RY (11) H 23 s( 1.03%)p42.01( 43.29%)d26.24( 27.05%) f27.78( 28.63%) 1193. (0.00000) RY (12) H 23 s( 0.11%)p99.99( 23.91%)d99.99( 32.02%) f99.99( 43.95%) 1194. (0.00000) RY (13) H 23 s( 5.51%)p 4.80( 26.45%)d 5.88( 32.45%) f 6.45( 35.59%) 1195. (0.00000) RY (14) H 23 s( 2.90%)p12.89( 37.41%)d 6.90( 20.01%) f13.67( 39.67%) 1196. (0.00000) RY (15) H 23 s( 6.42%)p 7.40( 47.49%)d 2.71( 17.39%) f 4.47( 28.70%) 1197. (0.00000) RY (16) H 23 s( 5.55%)p10.50( 58.30%)d 6.10( 33.89%) f 0.41( 2.26%) 1198. (0.00000) RY (17) H 23 s( 12.88%)p 2.23( 28.69%)d 1.36( 17.53%) f 3.18( 40.91%) 1199. (0.00000) RY (18) H 23 s( 5.71%)p 3.82( 21.81%)d 4.25( 24.28%) f 8.44( 48.20%) 1200. (0.00000) RY (19) H 23 s( 0.03%)p99.99( 25.37%)d99.99( 50.29%) f99.99( 24.31%) 1201. (0.00000) RY (20) H 23 s( 27.26%)p 1.68( 45.87%)d 0.74( 20.06%) f 0.25( 6.81%) 1202. (0.00000) RY (21) H 23 s( 1.79%)p10.46( 18.69%)d43.77( 78.23%) f 0.72( 1.29%) 1203. (0.00000) RY (22) H 23 s( 23.12%)p 1.24( 28.59%)d 1.88( 43.46%) f 0.21( 4.82%) 1204. (0.00000) RY (23) H 23 s( 8.60%)p 5.91( 50.84%)d 4.00( 34.40%) f 0.72( 6.17%) 1205. (0.00000) RY (24) H 23 s( 0.02%)p99.99( 6.76%)d99.99( 82.64%) f99.99( 10.58%) 1206. (0.00000) RY (25) H 23 s( 0.03%)p99.99( 3.57%)d99.99( 27.38%) f99.99( 69.02%) 1207. (0.00000) RY (26) H 23 s( 0.01%)p99.99( 6.39%)d99.99( 64.97%) f99.99( 28.63%) 1208. (0.00000) RY (27) H 23 s( 0.10%)p99.99( 12.07%)d99.99( 43.32%) f99.99( 44.51%) 1209. (0.00000) RY (28) H 23 s( 0.47%)p15.46( 7.28%)d99.99( 73.67%) f39.44( 18.58%) 1210. (0.00000) RY (29) H 23 s( 0.05%)p92.49( 5.08%)d99.99( 29.31%) f99.99( 65.55%) 1211. (0.00032) RY ( 1) H 24 s( 0.44%)p99.99( 77.37%)d47.52( 21.11%) f 2.42( 1.08%) 0.0006 0.0099 0.0622 -0.0218 -0.6306 -0.0940 0.0782 0.4050 0.0334 -0.0363 -0.4352 -0.0555 0.0464 0.2094 -0.0226 0.2099 -0.0181 0.1011 -0.0103 0.3042 -0.0110 0.1380 -0.0170 0.0100 -0.0138 -0.0443 -0.0251 -0.0471 0.0318 -0.0682 1212. (0.00020) RY ( 2) H 24 s( 11.91%)p 5.21( 62.02%)d 2.01( 23.87%) f 0.19( 2.21%) -0.0031 0.3410 0.0387 -0.0358 -0.4984 0.0474 0.0569 -0.1737 0.0487 0.0360 0.5702 0.0018 -0.0852 0.2137 -0.0374 0.0933 -0.0099 -0.2950 0.0107 0.0244 0.0203 -0.3059 0.0337 -0.0205 0.0194 0.1080 -0.0685 -0.0289 0.0577 -0.0274 1213. (0.00016) RY ( 3) H 24 s( 79.72%)p 0.12( 9.59%)d 0.13( 10.21%) f 0.01( 0.48%) -0.0023 0.8904 -0.0636 0.0170 0.1700 -0.0358 -0.0729 0.1538 0.0832 -0.0669 -0.0866 0.1218 0.0548 -0.1780 0.0230 -0.1295 -0.0019 0.0610 -0.0151 0.1236 0.0047 0.1829 -0.0198 -0.0041 0.0041 -0.0519 -0.0005 0.0236 -0.0393 0.0032 1214. (0.00007) RY ( 4) H 24 s( 78.67%)p 0.22( 17.06%)d 0.05( 4.16%) f 0.00( 0.11%) 1215. (0.00003) RY ( 5) H 24 s( 8.18%)p 7.55( 61.79%)d 3.44( 28.15%) f 0.23( 1.88%) 1216. (0.00001) RY ( 6) H 24 s( 6.52%)p 8.60( 56.03%)d 5.28( 34.43%) f 0.46( 3.02%) 1217. (0.00001) RY ( 7) H 24 s( 10.86%)p 5.44( 59.10%)d 2.62( 28.42%) f 0.15( 1.62%) 1218. (0.00001) RY ( 8) H 24 s( 0.59%)p54.32( 32.11%)d99.99( 65.61%) f 2.86( 1.69%) 1219. (0.00000) RY ( 9) H 24 s( 32.00%)p 1.15( 36.89%)d 0.81( 25.93%) f 0.16( 5.18%) 1220. (0.00000) RY (10) H 24 s( 0.12%)p99.99( 16.04%)d99.99( 24.22%) f99.99( 59.62%) 1221. (0.00000) RY (11) H 24 s( 3.12%)p 7.21( 22.53%)d 8.48( 26.50%) f15.31( 47.84%) 1222. (0.00000) RY (12) H 24 s( 0.66%)p43.03( 28.30%)d53.94( 35.47%) f54.09( 35.57%) 1223. (0.00000) RY (13) H 24 s( 5.50%)p 3.27( 17.97%)d 3.37( 18.57%) f10.53( 57.96%) 1224. (0.00000) RY (14) H 24 s( 0.60%)p62.10( 37.28%)d48.49( 29.11%) f54.99( 33.01%) 1225. (0.00000) RY (15) H 24 s( 14.32%)p 3.55( 50.86%)d 1.02( 14.66%) f 1.41( 20.16%) 1226. (0.00000) RY (16) H 24 s( 7.24%)p 4.85( 35.11%)d 2.69( 19.50%) f 5.27( 38.15%) 1227. (0.00000) RY (17) H 24 s( 0.08%)p99.99( 54.50%)d99.99( 13.38%) f99.99( 32.04%) 1228. (0.00000) RY (18) H 24 s( 1.97%)p 8.96( 17.64%)d35.52( 69.98%) f 5.28( 10.41%) 1229. (0.00000) RY (19) H 24 s( 0.95%)p48.70( 46.10%)d52.00( 49.22%) f 3.94( 3.73%) 1230. (0.00000) RY (20) H 24 s( 5.27%)p 6.61( 34.83%)d10.89( 57.37%) f 0.48( 2.53%) 1231. (0.00000) RY (21) H 24 s( 3.02%)p16.96( 51.15%)d14.64( 44.14%) f 0.56( 1.68%) 1232. (0.00000) RY (22) H 24 s( 24.71%)p 1.34( 33.07%)d 1.27( 31.33%) f 0.44( 10.89%) 1233. (0.00000) RY (23) H 24 s( 0.00%)p 1.00( 7.19%)d11.89( 85.44%) f 1.03( 7.37%) 1234. (0.00000) RY (24) H 24 s( 0.01%)p 1.00( 5.93%)d13.94( 82.74%) f 1.91( 11.31%) 1235. (0.00000) RY (25) H 24 s( 0.05%)p99.99( 5.45%)d99.99( 78.11%) f99.99( 16.39%) 1236. (0.00000) RY (26) H 24 s( 0.00%)p 1.00( 6.21%)d 2.28( 14.15%) f12.83( 79.64%) 1237. (0.00000) RY (27) H 24 s( 1.82%)p 1.40( 2.56%)d 7.65( 13.93%) f44.87( 81.69%) 1238. (0.00000) RY (28) H 24 s( 0.87%)p 5.20( 4.50%)d11.66( 10.09%) f97.70( 84.54%) 1239. (0.00000) RY (29) H 24 s( 0.94%)p11.43( 10.70%)d42.95( 40.19%) f51.47( 48.17%) 1240. (0.00041) RY ( 1) H 25 s( 85.55%)p 0.16( 14.00%)d 0.00( 0.36%) f 0.00( 0.09%) 0.0031 0.9249 0.0076 -0.0079 0.1431 -0.0949 0.0830 0.2735 0.1655 0.0092 0.0319 0.0164 -0.0044 -0.0066 -0.0060 0.0086 -0.0012 -0.0034 0.0003 -0.0573 0.0027 -0.0124 0.0020 -0.0068 0.0223 -0.0064 0.0029 -0.0051 -0.0017 0.0162 1241. (0.00023) RY ( 2) H 25 s( 0.13%)p99.99( 76.79%)d99.99( 21.03%) f15.52( 2.06%) 0.0001 0.0334 -0.0139 0.0041 -0.0623 -0.0342 0.0133 0.0291 -0.0030 -0.0180 -0.8416 -0.2039 0.1080 0.0455 -0.0077 -0.4429 0.0582 0.0560 -0.0023 -0.0402 0.0028 0.0616 -0.0067 0.0899 0.0329 -0.0053 -0.1054 0.0068 -0.0101 0.0102 1242. (0.00021) RY ( 3) H 25 s( 68.79%)p 0.37( 25.53%)d 0.08( 5.40%) f 0.00( 0.28%) 0.0024 -0.0899 0.8244 -0.0155 0.2312 0.2944 -0.0644 0.3311 0.0021 0.0008 -0.0192 -0.0299 0.0102 0.1320 -0.0100 -0.0098 0.0027 -0.0329 0.0013 0.1738 -0.0096 0.0706 0.0029 0.0127 -0.0493 -0.0028 -0.0104 0.0065 -0.0072 0.0053 1243. (0.00016) RY ( 4) H 25 s( 14.98%)p 5.02( 75.17%)d 0.61( 9.17%) f 0.04( 0.67%) 0.0050 0.2473 0.2796 0.1026 0.0225 -0.1546 0.0123 -0.5301 -0.6553 -0.1215 -0.0146 -0.0312 -0.0261 0.2531 -0.0681 0.0675 -0.0070 0.0039 0.0064 -0.1301 -0.0343 0.0126 0.0117 -0.0071 0.0279 0.0175 0.0142 0.0065 -0.0559 -0.0472 1244. (0.00009) RY ( 5) H 25 s( 14.68%)p 2.48( 36.33%)d 3.33( 48.84%) f 0.01( 0.16%) 1245. (0.00003) RY ( 6) H 25 s( 0.06%)p99.99( 39.67%)d99.99( 57.32%) f50.22( 2.95%) 1246. (0.00002) RY ( 7) H 25 s( 8.69%)p 7.10( 61.70%)d 2.82( 24.52%) f 0.59( 5.09%) 1247. (0.00000) RY ( 8) H 25 s( 0.16%)p37.46( 6.02%)d99.99( 87.70%) f38.05( 6.12%) 1248. (0.00000) RY ( 9) H 25 s( 9.34%)p 3.03( 28.26%)d 6.34( 59.19%) f 0.34( 3.21%) 1249. (0.00000) RY (10) H 25 s( 0.25%)p99.99( 47.53%)d57.65( 14.45%) f99.99( 37.77%) 1250. (0.00001) RY (11) H 25 s( 6.02%)p 5.94( 35.77%)d 9.36( 56.40%) f 0.30( 1.81%) 1251. (0.00000) RY (12) H 25 s( 0.01%)p 1.00( 35.31%)d 0.32( 11.32%) f 1.51( 53.36%) 1252. (0.00000) RY (13) H 25 s( 0.66%)p19.57( 12.91%)d42.93( 28.32%) f88.07( 58.10%) 1253. (0.00000) RY (14) H 25 s( 0.09%)p99.99( 9.47%)d99.99( 30.29%) f99.99( 60.14%) 1254. (0.00000) RY (15) H 25 s( 0.06%)p99.99( 44.73%)d99.99( 13.87%) f99.99( 41.34%) 1255. (0.00000) RY (16) H 25 s( 0.57%)p48.67( 27.92%)d39.26( 22.52%) f85.39( 48.99%) 1256. (0.00000) RY (17) H 25 s( 30.20%)p 0.63( 18.95%)d 1.21( 36.66%) f 0.47( 14.20%) 1257. (0.00000) RY (18) H 25 s( 23.06%)p 0.79( 18.18%)d 0.33( 7.51%) f 2.22( 51.25%) 1258. (0.00000) RY (19) H 25 s( 0.35%)p99.99( 48.63%)d19.35( 6.73%) f99.99( 44.29%) 1259. (0.00000) RY (20) H 25 s( 31.82%)p 1.05( 33.51%)d 0.92( 29.33%) f 0.17( 5.34%) 1260. (0.00000) RY (21) H 25 s( 1.34%)p31.62( 42.28%)d27.21( 36.39%) f14.96( 20.00%) 1261. (0.00000) RY (22) H 25 s( 3.16%)p17.26( 54.49%)d 8.06( 25.44%) f 5.36( 16.91%) 1262. (0.00000) RY (23) H 25 s( 0.03%)p99.99( 4.70%)d99.99( 79.33%) f99.99( 15.93%) 1263. (0.00000) RY (24) H 25 s( 0.03%)p99.99( 2.93%)d99.99( 76.79%) f99.99( 20.26%) 1264. (0.00000) RY (25) H 25 s( 0.01%)p99.99( 9.31%)d99.99( 67.04%) f99.99( 23.64%) 1265. (0.00000) RY (26) H 25 s( 0.00%)p 1.00( 15.57%)d 1.44( 22.49%) f 3.98( 61.93%) 1266. (0.00000) RY (27) H 25 s( 0.02%)p99.99( 17.58%)d99.99( 74.90%) f99.99( 7.51%) 1267. (0.00000) RY (28) H 25 s( 0.01%)p 1.00( 20.28%)d 0.91( 18.46%) f 3.02( 61.25%) 1268. (0.00000) RY (29) H 25 s( 0.05%)p99.99( 36.39%)d99.99( 28.21%) f99.99( 35.35%) 1269. (0.00037) RY ( 1) H 26 s( 79.27%)p 0.24( 18.71%)d 0.02( 1.91%) f 0.00( 0.11%) -0.0050 0.8794 -0.1392 -0.0006 -0.3189 -0.1192 -0.0213 -0.2253 0.0882 0.0147 0.0736 -0.0623 0.0524 -0.0268 0.0100 0.0451 -0.0145 0.0601 -0.0329 0.0240 -0.0008 0.1038 -0.0029 -0.0287 -0.0011 0.0136 0.0063 0.0009 0.0018 0.0004 1270. (0.00027) RY ( 2) H 26 s( 61.24%)p 0.50( 30.81%)d 0.12( 7.43%) f 0.01( 0.52%) 0.0023 0.3196 0.7143 -0.0088 0.4362 0.2104 -0.0275 0.1381 0.0704 0.0248 -0.0046 -0.2189 0.0153 -0.0036 -0.0008 -0.1975 0.0314 -0.0514 -0.0062 0.1772 -0.0086 0.0088 0.0062 0.0126 0.0679 -0.0085 0.0011 -0.0145 -0.0101 -0.0015 1271. (0.00021) RY ( 3) H 26 s( 21.97%)p 2.50( 54.94%)d 0.97( 21.31%) f 0.08( 1.77%) 0.0022 -0.1089 0.4553 0.0237 -0.5783 -0.1705 0.0792 0.2812 -0.0085 -0.0191 -0.2519 -0.1912 0.0140 -0.0091 -0.0038 0.3812 -0.0539 -0.1764 0.0279 -0.0414 0.0157 0.1727 -0.0339 -0.0670 -0.0838 0.0150 0.0740 0.0143 -0.0033 -0.0177 1272. (0.00011) RY ( 4) H 26 s( 14.35%)p 3.03( 43.46%)d 2.92( 41.90%) f 0.02( 0.28%) -0.0002 -0.1990 0.3179 -0.0535 -0.0550 -0.0224 0.0536 -0.6074 0.1088 0.1410 -0.1160 0.1177 -0.0149 -0.1484 0.0241 0.0749 -0.0047 0.5796 -0.0833 0.0522 0.0052 0.2086 -0.0411 -0.0130 -0.0333 -0.0231 -0.0151 0.0174 0.0107 0.0187 1273. (0.00006) RY ( 5) H 26 s( 3.19%)p27.37( 87.18%)d 2.65( 8.44%) f 0.37( 1.19%) 1274. (0.00002) RY ( 6) H 26 s( 7.51%)p 8.94( 67.18%)d 2.73( 20.51%) f 0.64( 4.80%) 1275. (0.00001) RY ( 7) H 26 s( 8.60%)p 4.24( 36.52%)d 5.88( 50.60%) f 0.50( 4.27%) 1276. (0.00000) RY ( 8) H 26 s( 11.11%)p 4.32( 47.98%)d 2.95( 32.76%) f 0.73( 8.16%) 1277. (0.00000) RY ( 9) H 26 s( 2.41%)p 5.31( 12.79%)d34.43( 82.93%) f 0.78( 1.87%) 1278. (0.00001) RY (10) H 26 s( 3.12%)p18.18( 56.69%)d10.54( 32.88%) f 2.35( 7.31%) 1279. (0.00001) RY (11) H 26 s( 2.97%)p12.04( 35.75%)d11.90( 35.34%) f 8.74( 25.94%) 1280. (0.00000) RY (12) H 26 s( 0.07%)p99.99( 31.92%)d99.99( 14.93%) f99.99( 53.08%) 1281. (0.00000) RY (13) H 26 s( 0.02%)p99.99( 15.81%)d99.99( 48.47%) f99.99( 35.69%) 1282. (0.00000) RY (14) H 26 s( 0.09%)p99.99( 26.22%)d99.99( 46.47%) f99.99( 27.22%) 1283. (0.00000) RY (15) H 26 s( 1.19%)p 7.22( 8.57%)d10.68( 12.67%) f65.38( 77.57%) 1284. (0.00000) RY (16) H 26 s( 0.84%)p46.17( 38.82%)d26.02( 21.88%) f45.75( 38.46%) 1285. (0.00000) RY (17) H 26 s( 0.62%)p33.40( 20.77%)d24.18( 15.04%) f99.99( 63.57%) 1286. (0.00000) RY (18) H 26 s( 0.40%)p99.99( 55.61%)d19.23( 7.68%) f90.93( 36.31%) 1287. (0.00000) RY (19) H 26 s( 0.88%)p42.80( 37.47%)d47.75( 41.80%) f22.68( 19.85%) 1288. (0.00000) RY (20) H 26 s( 34.31%)p 0.94( 32.33%)d 0.72( 24.82%) f 0.25( 8.55%) 1289. (0.00000) RY (21) H 26 s( 39.27%)p 0.80( 31.54%)d 0.65( 25.38%) f 0.10( 3.81%) 1290. (0.00000) RY (22) H 26 s( 6.37%)p 4.54( 28.94%)d 9.53( 60.68%) f 0.63( 4.01%) 1291. (0.00000) RY (23) H 26 s( 0.01%)p 1.00( 1.23%)d75.68( 93.29%) f 4.44( 5.47%) 1292. (0.00000) RY (24) H 26 s( 0.03%)p99.99( 18.57%)d99.99( 40.94%) f99.99( 40.46%) 1293. (0.00000) RY (25) H 26 s( 0.03%)p99.99( 5.16%)d99.99( 86.40%) f99.99( 8.41%) 1294. (0.00000) RY (26) H 26 s( 0.14%)p55.31( 7.94%)d99.99( 21.20%) f99.99( 70.71%) 1295. (0.00000) RY (27) H 26 s( 0.03%)p99.99( 7.73%)d99.99( 42.02%) f99.99( 50.22%) 1296. (0.00000) RY (28) H 26 s( 0.09%)p99.99( 12.46%)d99.99( 20.78%) f99.99( 66.68%) 1297. (0.00000) RY (29) H 26 s( 0.02%)p99.99( 26.78%)d99.99( 39.52%) f99.99( 33.68%) 1298. (0.00042) RY ( 1) H 27 s( 87.99%)p 0.13( 11.08%)d 0.01( 0.79%) f 0.00( 0.14%) 0.0015 0.9377 0.0237 0.0052 -0.1213 0.0495 -0.0438 -0.0999 -0.2778 -0.0164 -0.0079 0.0607 -0.0224 0.0020 0.0259 -0.0376 -0.0082 0.0153 0.0166 -0.0670 -0.0078 -0.0261 0.0028 -0.0164 0.0042 -0.0045 0.0203 -0.0196 0.0044 -0.0173 1299. (0.00021) RY ( 2) H 27 s( 64.20%)p 0.40( 25.90%)d 0.14( 9.20%) f 0.01( 0.70%) -0.0001 -0.0596 0.7990 0.0075 0.0713 -0.1614 0.0187 0.0061 -0.2826 -0.0432 -0.2977 -0.2277 0.0727 -0.1496 0.0195 0.0981 -0.0152 -0.1102 0.0131 -0.0020 0.0056 0.2153 -0.0261 0.0337 -0.0576 -0.0044 -0.0208 0.0016 0.0423 -0.0185 1300. (0.00019) RY ( 3) H 27 s( 12.02%)p 4.73( 56.90%)d 2.40( 28.89%) f 0.18( 2.19%) 0.0020 -0.0633 0.3408 0.0020 -0.4040 -0.2286 0.0900 0.0160 -0.0597 -0.0050 0.5641 0.1200 -0.0946 -0.0717 0.0004 -0.2235 0.0279 -0.0009 0.0020 0.3049 -0.0319 -0.3696 0.0498 0.0448 0.1324 -0.0239 -0.0010 -0.0165 -0.0375 0.0114 1301. (0.00011) RY ( 4) H 27 s( 8.15%)p 4.55( 37.05%)d 6.71( 54.65%) f 0.02( 0.16%) -0.0034 0.0557 0.2648 -0.0907 -0.0006 0.0478 -0.0177 -0.4768 0.3213 0.1885 -0.0211 0.0359 -0.0003 0.5720 -0.0915 0.1426 -0.0225 0.3584 -0.0580 0.2240 -0.0119 0.0887 0.0028 -0.0158 -0.0088 0.0136 -0.0079 -0.0175 -0.0258 -0.0034 1302. (0.00008) RY ( 5) H 27 s( 10.31%)p 8.00( 82.54%)d 0.64( 6.63%) f 0.05( 0.51%) 1303. (0.00003) RY ( 6) H 27 s( 12.17%)p 5.27( 64.18%)d 1.53( 18.65%) f 0.41( 5.00%) 1304. (0.00001) RY ( 7) H 27 s( 2.78%)p18.90( 52.62%)d15.33( 42.69%) f 0.68( 1.90%) 1305. (0.00001) RY ( 8) H 27 s( 7.04%)p 8.19( 57.63%)d 4.60( 32.34%) f 0.42( 2.99%) 1306. (0.00001) RY ( 9) H 27 s( 0.18%)p99.99( 19.10%)d99.99( 71.84%) f48.36( 8.87%) 1307. (0.00000) RY (10) H 27 s( 0.26%)p99.99( 37.28%)d99.99( 34.98%) f99.99( 27.48%) 1308. (0.00000) RY (11) H 27 s( 0.79%)p48.33( 38.07%)d64.68( 50.96%) f12.92( 10.18%) 1309. (0.00000) RY (12) H 27 s( 16.86%)p 2.12( 35.76%)d 2.47( 41.58%) f 0.34( 5.79%) 1310. (0.00000) RY (13) H 27 s( 1.09%)p22.73( 24.67%)d21.40( 23.22%) f47.02( 51.03%) 1311. (0.00000) RY (14) H 27 s( 0.23%)p99.99( 40.73%)d45.25( 10.46%) f99.99( 48.58%) 1312. (0.00000) RY (15) H 27 s( 2.21%)p 2.68( 5.92%)d 5.50( 12.17%) f36.03( 79.69%) 1313. (0.00000) RY (16) H 27 s( 3.42%)p 8.34( 28.50%)d 7.67( 26.19%) f12.27( 41.90%) 1314. (0.00000) RY (17) H 27 s( 2.58%)p10.20( 26.29%)d 5.24( 13.52%) f22.35( 57.61%) 1315. (0.00000) RY (18) H 27 s( 16.96%)p 1.52( 25.76%)d 1.43( 24.33%) f 1.94( 32.95%) 1316. (0.00000) RY (19) H 27 s( 16.44%)p 2.20( 36.15%)d 1.25( 20.60%) f 1.63( 26.81%) 1317. (0.00000) RY (20) H 27 s( 25.32%)p 0.94( 23.81%)d 0.33( 8.29%) f 1.68( 42.57%) 1318. (0.00000) RY (21) H 27 s( 2.23%)p18.12( 40.38%)d16.05( 35.77%) f 9.71( 21.63%) 1319. (0.00000) RY (22) H 27 s( 6.19%)p 7.56( 46.81%)d 6.34( 39.28%) f 1.25( 7.72%) 1320. (0.00000) RY (23) H 27 s( 0.02%)p99.99( 5.00%)d99.99( 86.67%) f99.99( 8.31%) 1321. (0.00000) RY (24) H 27 s( 0.10%)p39.18( 3.81%)d99.99( 91.71%) f45.05( 4.38%) 1322. (0.00000) RY (25) H 27 s( 0.06%)p99.99( 8.25%)d99.99( 77.23%) f99.99( 14.46%) 1323. (0.00000) RY (26) H 27 s( 0.25%)p 7.88( 1.97%)d99.99( 44.84%) f99.99( 52.94%) 1324. (0.00000) RY (27) H 27 s( 0.01%)p 1.00( 18.04%)d 3.25( 58.62%) f 1.29( 23.34%) 1325. (0.00000) RY (28) H 27 s( 0.24%)p99.99( 27.70%)d40.44( 9.63%) f99.99( 62.43%) 1326. (0.00000) RY (29) H 27 s( 0.04%)p99.99( 18.01%)d99.99( 24.26%) f99.99( 57.70%) 1327. (0.00040) RY ( 1) H 28 s( 82.21%)p 0.20( 16.27%)d 0.02( 1.46%) f 0.00( 0.06%) -0.0050 0.8998 -0.1113 -0.0016 -0.2825 -0.1042 -0.0284 -0.2258 0.0658 0.0187 -0.0994 0.0600 -0.0460 -0.0362 0.0126 -0.0121 0.0119 -0.0796 0.0295 0.0124 0.0049 0.0736 0.0032 0.0231 0.0083 0.0025 0.0002 0.0005 0.0012 0.0012 1328. (0.00026) RY ( 2) H 28 s( 57.52%)p 0.59( 33.92%)d 0.14( 7.97%) f 0.01( 0.59%) 0.0023 0.2814 0.7042 -0.0084 0.4549 0.2469 -0.0339 0.1664 0.0464 0.0288 -0.0445 0.1935 -0.0082 -0.0235 0.0047 0.1772 -0.0279 0.0280 0.0049 0.2110 -0.0128 -0.0339 0.0168 -0.0409 0.0624 -0.0008 0.0161 -0.0017 -0.0077 -0.0014 1329. (0.00021) RY ( 3) H 28 s( 20.97%)p 2.71( 56.78%)d 0.98( 20.50%) f 0.08( 1.75%) 0.0018 -0.0624 0.4531 0.0237 -0.5444 -0.1411 0.0718 0.2380 -0.0138 -0.0103 0.3692 0.2282 -0.0316 0.0673 -0.0126 -0.2981 0.0392 0.1025 -0.0140 -0.0554 0.0191 0.3056 -0.0488 0.0953 -0.0332 0.0043 -0.0829 0.0083 -0.0181 -0.0013 1330. (0.00011) RY ( 4) H 28 s( 15.21%)p 2.82( 42.82%)d 2.74( 41.69%) f 0.02( 0.28%) -0.0004 -0.2003 0.3293 -0.0592 -0.0418 -0.0201 0.0551 -0.6181 0.1161 0.1387 0.0222 -0.0839 0.0266 -0.2224 0.0351 -0.0783 0.0011 -0.5882 0.0858 -0.0441 0.0176 0.0651 -0.0169 0.0154 -0.0333 -0.0294 -0.0005 -0.0204 0.0068 0.0125 1331. (0.00006) RY ( 5) H 28 s( 3.86%)p22.70( 87.54%)d 1.95( 7.52%) f 0.28( 1.08%) 1332. (0.00003) RY ( 6) H 28 s( 7.84%)p 8.59( 67.27%)d 2.54( 19.87%) f 0.64( 5.02%) 1333. (0.00001) RY ( 7) H 28 s( 6.88%)p 5.58( 38.43%)d 7.40( 50.94%) f 0.54( 3.75%) 1334. (0.00001) RY ( 8) H 28 s( 2.04%)p26.08( 53.08%)d11.05( 22.50%) f11.00( 22.39%) 1335. (0.00001) RY ( 9) H 28 s( 4.50%)p 6.72( 30.26%)d11.16( 50.23%) f 3.33( 15.00%) 1336. (0.00000) RY (10) H 28 s( 12.90%)p 1.73( 22.37%)d 4.68( 60.41%) f 0.34( 4.33%) 1337. (0.00000) RY (11) H 28 s( 6.41%)p 7.08( 45.43%)d 7.35( 47.14%) f 0.16( 1.01%) 1338. (0.00000) RY (12) H 28 s( 34.98%)p 0.92( 32.18%)d 0.73( 25.59%) f 0.21( 7.25%) 1339. (0.00000) RY (13) H 28 s( 8.51%)p 5.19( 44.19%)d 4.92( 41.86%) f 0.64( 5.44%) 1340. (0.00000) RY (14) H 28 s( 31.76%)p 0.52( 16.53%)d 1.52( 48.31%) f 0.11( 3.40%) 1341. (0.00000) RY (15) H 28 s( 0.05%)p99.99( 40.38%)d99.99( 21.00%) f99.99( 38.56%) 1342. (0.00000) RY (16) H 28 s( 0.06%)p99.99( 9.21%)d99.99( 45.95%) f99.99( 44.79%) 1343. (0.00000) RY (17) H 28 s( 0.42%)p71.08( 29.76%)d99.99( 44.51%) f60.44( 25.31%) 1344. (0.00000) RY (18) H 28 s( 1.18%)p10.88( 12.86%)d10.01( 11.84%) f62.66( 74.11%) 1345. (0.00000) RY (19) H 28 s( 0.34%)p97.25( 32.99%)d63.47( 21.53%) f99.99( 45.15%) 1346. (0.00000) RY (20) H 28 s( 0.96%)p28.38( 27.28%)d17.82( 17.13%) f56.84( 54.64%) 1347. (0.00000) RY (21) H 28 s( 0.67%)p81.93( 55.22%)d13.38( 9.02%) f52.08( 35.09%) 1348. (0.00000) RY (22) H 28 s( 0.43%)p85.93( 37.35%)d92.77( 40.32%) f50.36( 21.89%) 1349. (0.00000) RY (23) H 28 s( 0.03%)p96.38( 2.65%)d99.99( 87.44%) f99.99( 9.88%) 1350. (0.00000) RY (24) H 28 s( 0.02%)p99.99( 17.43%)d99.99( 45.94%) f99.99( 36.61%) 1351. (0.00000) RY (25) H 28 s( 0.04%)p99.99( 7.21%)d99.99( 85.18%) f99.99( 7.56%) 1352. (0.00000) RY (26) H 28 s( 0.19%)p53.68( 10.08%)d99.99( 34.79%) f99.99( 54.95%) 1353. (0.00000) RY (27) H 28 s( 0.01%)p99.99( 7.13%)d99.99( 39.97%) f99.99( 52.89%) 1354. (0.00000) RY (28) H 28 s( 0.09%)p85.66( 7.90%)d99.99( 12.65%) f99.99( 79.36%) 1355. (0.00000) RY (29) H 28 s( 0.05%)p99.99( 15.36%)d99.99( 36.73%) f99.99( 47.86%) 1356. (0.00036) RY ( 1) H 29 s( 82.88%)p 0.19( 15.59%)d 0.02( 1.32%) f 0.00( 0.22%) 0.0032 0.9101 0.0211 0.0083 -0.1595 0.0462 -0.0472 -0.0740 -0.3101 -0.0428 -0.0159 -0.1472 0.0261 -0.0122 0.0257 0.0607 0.0167 0.0331 -0.0246 -0.0637 -0.0123 -0.0496 -0.0047 0.0108 0.0279 -0.0130 -0.0266 0.0164 0.0067 -0.0081 1357. (0.00021) RY ( 2) H 29 s( 9.00%)p 6.79( 61.10%)d 3.09( 27.85%) f 0.23( 2.05%) 0.0018 -0.1209 0.2745 0.0006 -0.4899 -0.2614 0.0817 0.1522 -0.0480 -0.0282 -0.5029 -0.1171 0.0554 -0.1144 0.0085 0.0748 -0.0123 0.0976 -0.0172 0.3027 -0.0374 -0.3923 0.0528 -0.0887 0.1019 -0.0027 0.0317 -0.0130 -0.0312 0.0096 1358. (0.00019) RY ( 3) H 29 s( 61.28%)p 0.41( 25.03%)d 0.21( 12.90%) f 0.01( 0.79%) 0.0013 -0.0249 0.7824 0.0115 0.0686 -0.1724 0.0044 0.1351 -0.2712 -0.0291 0.2677 0.2125 -0.0803 -0.1467 0.0222 -0.0487 0.0078 0.1182 -0.0153 0.0067 0.0058 0.2982 -0.0366 -0.0117 -0.0688 0.0001 -0.0063 0.0073 0.0505 -0.0187 1359. (0.00012) RY ( 4) H 29 s( 13.52%)p 2.79( 37.74%)d 3.59( 48.58%) f 0.01( 0.16%) -0.0028 0.0432 0.3593 -0.0651 -0.0317 0.0085 0.0036 -0.5684 0.1621 0.1454 -0.0701 0.0125 0.0279 0.4783 -0.0787 -0.0603 0.0173 -0.4615 0.0666 0.1689 -0.0091 -0.0247 0.0160 0.0063 0.0058 -0.0036 0.0115 0.0313 -0.0175 -0.0102 1360. (0.00006) RY ( 5) H 29 s( 12.86%)p 6.25( 80.32%)d 0.49( 6.24%) f 0.04( 0.57%) 1361. (0.00002) RY ( 6) H 29 s( 14.85%)p 3.98( 59.03%)d 1.40( 20.82%) f 0.36( 5.31%) 1362. (0.00001) RY ( 7) H 29 s( 6.55%)p 6.75( 44.21%)d 6.00( 39.33%) f 1.51( 9.91%) 1363. (0.00001) RY ( 8) H 29 s( 0.58%)p81.77( 47.65%)d86.14( 50.20%) f 2.69( 1.57%) 1364. (0.00001) RY ( 9) H 29 s( 8.18%)p 5.09( 41.63%)d 4.14( 33.89%) f 1.99( 16.30%) 1365. (0.00000) RY (10) H 29 s( 3.70%)p12.64( 46.82%)d11.34( 42.01%) f 2.01( 7.46%) 1366. (0.00000) RY (11) H 29 s( 1.55%)p17.15( 26.60%)d40.84( 63.33%) f 5.49( 8.51%) 1367. (0.00000) RY (12) H 29 s( 11.88%)p 3.40( 40.44%)d 3.10( 36.80%) f 0.92( 10.88%) 1368. (0.00000) RY (13) H 29 s( 0.31%)p45.37( 14.17%)d99.99( 32.82%) f99.99( 52.69%) 1369. (0.00000) RY (14) H 29 s( 2.12%)p10.87( 23.01%)d18.95( 40.13%) f16.41( 34.75%) 1370. (0.00000) RY (15) H 29 s( 0.41%)p17.51( 7.12%)d39.13( 15.91%) f99.99( 76.57%) 1371. (0.00000) RY (16) H 29 s( 0.17%)p99.99( 38.96%)d99.99( 32.77%) f99.99( 28.10%) 1372. (0.00000) RY (17) H 29 s( 0.87%)p40.20( 34.89%)d20.56( 17.84%) f53.46( 46.40%) 1373. (0.00000) RY (18) H 29 s( 4.19%)p 8.92( 37.36%)d 3.19( 13.38%) f10.77( 45.08%) 1374. (0.00000) RY (19) H 29 s( 5.51%)p 4.09( 22.53%)d 2.36( 13.03%) f10.69( 58.92%) 1375. (0.00000) RY (20) H 29 s( 18.38%)p 2.17( 39.84%)d 1.22( 22.41%) f 1.05( 19.37%) 1376. (0.00000) RY (21) H 29 s( 3.45%)p12.91( 44.59%)d 8.51( 29.39%) f 6.53( 22.56%) 1377. (0.00000) RY (22) H 29 s( 13.55%)p 3.38( 45.80%)d 1.70( 23.04%) f 1.30( 17.61%) 1378. (0.00000) RY (23) H 29 s( 23.84%)p 0.57( 13.48%)d 2.24( 53.40%) f 0.39( 9.29%) 1379. (0.00000) RY (24) H 29 s( 0.01%)p 1.00( 1.89%)d43.04( 81.31%) f 8.89( 16.80%) 1380. (0.00000) RY (25) H 29 s( 0.08%)p99.99( 11.81%)d99.99( 63.53%) f99.99( 24.58%) 1381. (0.00000) RY (26) H 29 s( 0.06%)p41.09( 2.34%)d99.99( 77.33%) f99.99( 20.27%) 1382. (0.00000) RY (27) H 29 s( 0.01%)p99.99( 6.00%)d99.99( 24.56%) f99.99( 69.43%) 1383. (0.00000) RY (28) H 29 s( 0.21%)p38.53( 8.28%)d58.54( 12.58%) f99.99( 78.93%) 1384. (0.00000) RY (29) H 29 s( 0.12%)p99.99( 21.66%)d99.99( 63.30%) f99.99( 14.92%) NHO DIRECTIONALITY AND BOND BENDING (deviation from line of nuclear centers at the position of maximum hybrid amplitude) [Thresholds for printing: angular deviation > 1.0 degree] p- or d-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev =============================================================================== 43. LP ( 1)Tc 1 -- -- 93.8 276.3 -- -- -- -- 44. LP ( 2)Tc 1 -- -- 137.1 347.7 -- -- -- -- 45. LP ( 1) S 2 -- -- 145.5 294.9 -- -- -- -- 46. LP ( 2) S 2 -- -- 44.2 263.6 -- -- -- -- 47. LP ( 3) S 2 -- -- 51.3 51.2 -- -- -- -- 49. LP ( 2) S 3 -- -- 124.8 250.7 -- -- -- -- 51. LP ( 2) S 4 -- -- 86.8 150.9 -- -- -- -- 53. LP ( 2) S 5 -- -- 64.2 254.1 -- -- -- -- 54. LP ( 1) S 6 -- -- 44.8 292.9 -- -- -- -- 55. LP ( 2) S 6 -- -- 144.1 259.0 -- -- -- -- 56. LP ( 3) S 6 -- -- 123.2 56.6 -- -- -- -- 57. LP ( 1) C 11 -- -- 94.7 271.9 -- -- -- -- 58. BD ( 1)Tc 1- P 10 92.1 325.6 93.1 320.2 5.5 89.2 150.1 4.7 59. BD ( 1) S 2- S 3 83.2 167.5 82.3 166.1 1.7 96.3 346.1 1.4 60. BD ( 1) S 3- S 4 38.8 242.9 36.3 246.0 3.2 136.9 62.1 4.3 61. BD ( 1) S 4- S 5 31.3 53.1 35.6 53.8 4.3 151.6 235.4 3.1 62. BD ( 1) S 5- S 6 87.9 347.1 88.5 345.8 1.4 93.1 165.8 1.6 63. BD ( 1) C 7- P 10 152.3 152.5 -- -- -- 24.8 332.5 3.0 65. BD ( 1) C 7- H 17 58.9 80.8 57.9 79.6 1.4 -- -- -- 66. BD ( 1) C 7- H 18 58.3 224.2 57.2 224.9 1.2 -- -- -- 67. BD ( 1) C 8- P 10 64.8 87.4 -- -- -- 116.2 265.0 2.4 69. BD ( 1) C 8- H 20 65.0 215.2 65.7 216.7 1.5 -- -- -- 70. BD ( 1) C 8- H 21 167.4 155.9 168.0 160.9 1.3 -- -- -- 71. BD ( 1) C 9- P 10 61.7 209.2 -- -- -- 119.3 31.9 2.6 73. BD ( 1) C 9- H 23 160.8 141.2 161.7 137.7 1.4 -- -- -- 74. BD ( 1) C 9- H 24 62.8 74.7 63.7 73.7 1.4 -- -- -- 75. BD ( 1) C 11- C 12 41.1 349.9 34.1 5.3 11.6 130.0 157.7 12.4 76. BD ( 1) C 11- C 15 147.7 1.6 151.5 23.3 11.6 39.2 164.3 12.2 77. BD ( 1) C 11- H 25 85.7 177.0 85.5 175.2 1.9 -- -- -- 78. BD ( 1) C 12- C 13 111.6 357.9 102.8 11.6 15.7 60.4 163.4 15.3 79. BD ( 1) C 12- H 26 15.7 203.6 14.6 195.8 2.3 -- -- -- 80. BD ( 1) C 13- C 14 173.7 130.8 158.9 77.6 18.0 16.9 42.6 18.2 81. BD ( 1) C 13- H 27 58.4 355.4 58.0 357.9 2.2 -- -- -- 82. BD ( 1) C 14- C 15 102.9 175.4 108.9 161.1 15.0 83.3 9.4 15.1 83. BD ( 1) C 14- H 29 130.2 1.3 130.1 4.3 2.3 -- -- -- 84. BD ( 1) C 15- H 28 157.4 173.2 157.3 167.4 2.3 -- -- -- SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.25 kcal/mol (Intermolecular threshold: 0.03 kcal/mol) E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 43. LP ( 1)Tc 1 87. LV ( 1)Tc 1 2.88 0.82 0.061 43. LP ( 1)Tc 1 88. BD*( 1)Tc 1- P 10 3.21 0.27 0.037 43. LP ( 1)Tc 1 97. BD*( 1) C 8- P 10 1.86 0.39 0.034 43. LP ( 1)Tc 1 101. BD*( 1) C 9- P 10 0.92 0.39 0.024 43. LP ( 1)Tc 1 107. BD*( 1) C 11- H 25 0.38 0.61 0.019 43. LP ( 1)Tc 1 109. BD*( 1) C 12- H 26 0.32 0.59 0.017 43. LP ( 1)Tc 1 111. BD*( 1) C 13- H 27 0.50 0.58 0.021 43. LP ( 1)Tc 1 113. BD*( 1) C 14- H 29 0.46 0.59 0.021 43. LP ( 1)Tc 1 114. BD*( 1) C 15- H 28 0.33 0.59 0.018 43. LP ( 1)Tc 1 117. 3C*( 1)Tc1-C12-C13 3.49 0.25 0.037 43. LP ( 1)Tc 1 118. 3C*( 1)Tc1-C14-C15 2.91 0.25 0.034 43. LP ( 1)Tc 1 120. RY ( 2)Tc 1 1.55 2.78 0.083 43. LP ( 1)Tc 1 124. RY ( 6)Tc 1 1.03 3.22 0.073 43. LP ( 1)Tc 1 125. RY ( 7)Tc 1 0.69 2.95 0.057 43. LP ( 1)Tc 1 126. RY ( 8)Tc 1 1.15 2.40 0.066 43. LP ( 1)Tc 1 129. RY (11)Tc 1 0.40 3.72 0.049 43. LP ( 1)Tc 1 130. RY (12)Tc 1 0.53 3.51 0.054 43. LP ( 1)Tc 1 131. RY (13)Tc 1 0.93 5.95 0.094 43. LP ( 1)Tc 1 132. RY (14)Tc 1 1.11 5.38 0.097 43. LP ( 1)Tc 1 138. RY (20)Tc 1 1.10 4.81 0.092 43. LP ( 1)Tc 1 141. RY (23)Tc 1 0.29 3.61 0.041 43. LP ( 1)Tc 1 152. RY (34)Tc 1 0.33 5.32 0.053 43. LP ( 1)Tc 1 156. RY (38)Tc 1 0.31 3.58 0.042 43. LP ( 1)Tc 1 161. RY (43)Tc 1 0.27 3.96 0.041 43. LP ( 1)Tc 1 164. RY (46)Tc 1 0.28 11.82 0.073 43. LP ( 1)Tc 1 169. RY (51)Tc 1 0.27 23.72 0.101 43. LP ( 1)Tc 1 192. RY (74)Tc 1 0.86 5.51 0.087 43. LP ( 1)Tc 1 658. RY ( 1) P 10 3.61 1.79 0.102 43. LP ( 1)Tc 1 662. RY ( 5) P 10 0.61 2.08 0.045 43. LP ( 1)Tc 1 663. RY ( 6) P 10 0.30 1.53 0.027 43. LP ( 1)Tc 1 665. RY ( 8) P 10 1.20 2.54 0.070 43. LP ( 1)Tc 1 669. RY (12) P 10 0.33 3.05 0.040 43. LP ( 1)Tc 1 674. RY (17) P 10 0.45 3.23 0.048 43. LP ( 1)Tc 1 676. RY (19) P 10 1.02 4.78 0.088 43. LP ( 1)Tc 1 678. RY (21) P 10 0.31 3.85 0.043 43. LP ( 1)Tc 1 719. RY ( 1) C 11 0.49 2.31 0.043 43. LP ( 1)Tc 1 721. RY ( 3) C 11 0.39 2.32 0.038 43. LP ( 1)Tc 1 771. RY ( 1) C 12 0.55 1.66 0.038 43. LP ( 1)Tc 1 773. RY ( 3) C 12 0.75 2.79 0.058 43. LP ( 1)Tc 1 927. RY ( 1) C 15 0.76 1.74 0.046 43. LP ( 1)Tc 1 929. RY ( 3) C 15 0.72 2.80 0.057 44. LP ( 2)Tc 1 93. BD*( 1) C 7- P 10 1.78 0.38 0.033 44. LP ( 2)Tc 1 97. BD*( 1) C 8- P 10 0.40 0.38 0.016 44. LP ( 2)Tc 1 101. BD*( 1) C 9- P 10 0.46 0.38 0.017 44. LP ( 2)Tc 1 115. 3Cn( 1)Tc1-C12-C13 1.71 0.24 0.026 44. LP ( 2)Tc 1 116. 3Cn( 1)Tc1-C14-C15 2.18 0.23 0.029 44. LP ( 2)Tc 1 117. 3C*( 1)Tc1-C12-C13 4.45 0.25 0.042 44. LP ( 2)Tc 1 118. 3C*( 1)Tc1-C14-C15 4.58 0.24 0.042 44. LP ( 2)Tc 1 659. RY ( 2) P 10 1.15 1.60 0.054 44. LP ( 2)Tc 1 664. RY ( 7) P 10 0.74 1.43 0.041 44. LP ( 2)Tc 1 771. RY ( 1) C 12 0.74 1.66 0.044 44. LP ( 2)Tc 1 823. RY ( 1) C 13 0.37 1.70 0.031 44. LP ( 2)Tc 1 875. RY ( 1) C 14 0.40 1.77 0.034 44. LP ( 2)Tc 1 927. RY ( 1) C 15 0.95 1.73 0.051 57. LP ( 1) C 11 87. LV ( 1)Tc 1 2.74 0.76 0.058 57. LP ( 1) C 11 88. BD*( 1)Tc 1- P 10 30.24 0.21 0.100 57. LP ( 1) C 11 105. BD*( 1) C 11- C 12 1.55 0.59 0.038 57. LP ( 1) C 11 106. BD*( 1) C 11- C 15 1.53 0.59 0.038 57. LP ( 1) C 11 115. 3Cn( 1)Tc1-C12-C13 9.11 0.18 0.052 57. LP ( 1) C 11 116. 3Cn( 1)Tc1-C14-C15 10.42 0.17 0.054 57. LP ( 1) C 11 117. 3C*( 1)Tc1-C12-C13 20.08 0.19 0.078 57. LP ( 1) C 11 118. 3C*( 1)Tc1-C14-C15 20.63 0.18 0.077 57. LP ( 1) C 11 119. RY ( 1)Tc 1 0.59 2.49 0.049 57. LP ( 1) C 11 120. RY ( 2)Tc 1 1.49 2.72 0.080 57. LP ( 1) C 11 124. RY ( 6)Tc 1 0.80 3.15 0.064 57. LP ( 1) C 11 125. RY ( 7)Tc 1 0.40 2.89 0.043 57. LP ( 1) C 11 126. RY ( 8)Tc 1 0.31 2.34 0.034 57. LP ( 1) C 11 127. RY ( 9)Tc 1 0.30 2.25 0.033 57. LP ( 1) C 11 129. RY (11)Tc 1 0.44 3.65 0.050 57. LP ( 1) C 11 131. RY (13)Tc 1 0.40 5.88 0.061 57. LP ( 1) C 11 132. RY (14)Tc 1 0.68 5.32 0.076 57. LP ( 1) C 11 138. RY (20)Tc 1 0.97 4.75 0.086 57. LP ( 1) C 11 141. RY (23)Tc 1 0.31 3.55 0.042 57. LP ( 1) C 11 151. RY (33)Tc 1 0.27 4.59 0.044 57. LP ( 1) C 11 192. RY (74)Tc 1 0.35 5.44 0.055 57. LP ( 1) C 11 662. RY ( 5) P 10 0.54 2.02 0.042 57. LP ( 1) C 11 665. RY ( 8) P 10 0.38 2.47 0.039 57. LP ( 1) C 11 674. RY (17) P 10 0.27 3.17 0.037 57. LP ( 1) C 11 676. RY (19) P 10 0.58 4.71 0.066 57. LP ( 1) C 11 721. RY ( 3) C 11 0.41 2.26 0.038 57. LP ( 1) C 11 722. RY ( 4) C 11 1.58 1.51 0.062 57. LP ( 1) C 11 723. RY ( 5) C 11 0.39 2.73 0.041 57. LP ( 1) C 11 726. RY ( 8) C 11 0.70 2.67 0.054 57. LP ( 1) C 11 728. RY (10) C 11 0.93 2.71 0.063 57. LP ( 1) C 11 730. RY (12) C 11 0.92 3.83 0.075 57. LP ( 1) C 11 752. RY (34) C 11 0.35 5.22 0.054 57. LP ( 1) C 11 771. RY ( 1) C 12 0.63 1.60 0.040 57. LP ( 1) C 11 774. RY ( 4) C 12 1.00 2.70 0.066 57. LP ( 1) C 11 778. RY ( 8) C 12 0.38 2.93 0.042 57. LP ( 1) C 11 783. RY (13) C 12 0.27 4.40 0.043 57. LP ( 1) C 11 927. RY ( 1) C 15 0.76 1.68 0.045 57. LP ( 1) C 11 930. RY ( 4) C 15 0.93 2.89 0.066 57. LP ( 1) C 11 934. RY ( 8) C 15 0.33 3.11 0.040 57. LP ( 1) C 11 938. RY (12) C 15 0.30 4.32 0.046 57. LP ( 1) C 11 1242. RY ( 3) H 25 0.39 2.65 0.041 57. LP ( 1) C 11 1243. RY ( 4) H 25 0.31 1.84 0.030 57. LP ( 1) C 11 1244. RY ( 5) H 25 0.29 3.37 0.039 58. BD ( 1)Tc 1- P 10 87. LV ( 1)Tc 1 0.33 0.99 0.023 58. BD ( 1)Tc 1- P 10 93. BD*( 1) C 7- P 10 0.55 0.55 0.022 58. BD ( 1)Tc 1- P 10 94. BD*( 1) C 7- H 16 0.71 0.71 0.028 58. BD ( 1)Tc 1- P 10 97. BD*( 1) C 8- P 10 0.41 0.56 0.019 58. BD ( 1)Tc 1- P 10 98. BD*( 1) C 8- H 19 0.67 0.71 0.028 58. BD ( 1)Tc 1- P 10 101. BD*( 1) C 9- P 10 0.62 0.56 0.023 58. BD ( 1)Tc 1- P 10 102. BD*( 1) C 9- H 22 0.74 0.71 0.029 58. BD ( 1)Tc 1- P 10 115. 3Cn( 1)Tc1-C12-C13 0.62 0.42 0.020 58. BD ( 1)Tc 1- P 10 116. 3Cn( 1)Tc1-C14-C15 0.66 0.41 0.021 58. BD ( 1)Tc 1- P 10 119. RY ( 1)Tc 1 0.86 2.73 0.061 58. BD ( 1)Tc 1- P 10 120. RY ( 2)Tc 1 0.46 2.95 0.046 58. BD ( 1)Tc 1- P 10 126. RY ( 8)Tc 1 0.33 2.57 0.037 58. BD ( 1)Tc 1- P 10 131. RY (13)Tc 1 0.37 6.12 0.060 58. BD ( 1)Tc 1- P 10 132. RY (14)Tc 1 0.67 5.55 0.077 58. BD ( 1)Tc 1- P 10 138. RY (20)Tc 1 0.35 4.98 0.053 58. BD ( 1)Tc 1- P 10 140. RY (22)Tc 1 0.26 3.34 0.037 58. BD ( 1)Tc 1- P 10 554. RY ( 1) C 8 0.30 2.75 0.036 58. BD ( 1)Tc 1- P 10 719. RY ( 1) C 11 0.47 2.47 0.043 58. BD ( 1)Tc 1- P 10 823. RY ( 1) C 13 0.57 1.87 0.041 58. BD ( 1)Tc 1- P 10 875. RY ( 1) C 14 0.94 1.94 0.054 63. BD ( 1) C 7- P 10 88. BD*( 1)Tc 1- P 10 0.42 0.56 0.019 63. BD ( 1) C 7- P 10 97. BD*( 1) C 8- P 10 0.49 0.68 0.023 63. BD ( 1) C 7- P 10 100. BD*( 1) C 8- H 21 0.57 0.84 0.028 63. BD ( 1) C 7- P 10 101. BD*( 1) C 9- P 10 0.55 0.67 0.024 63. BD ( 1) C 7- P 10 103. BD*( 1) C 9- H 23 0.60 0.83 0.028 63. BD ( 1) C 7- P 10 554. RY ( 1) C 8 0.75 2.87 0.059 63. BD ( 1) C 7- P 10 555. RY ( 2) C 8 0.27 2.45 0.033 63. BD ( 1) C 7- P 10 561. RY ( 8) C 8 0.28 1.94 0.030 63. BD ( 1) C 7- P 10 606. RY ( 1) C 9 0.72 3.25 0.061 63. BD ( 1) C 7- P 10 613. RY ( 8) C 9 0.25 1.55 0.025 63. BD ( 1) C 7- P 10 677. RY (20) P 10 0.31 4.98 0.049 63. BD ( 1) C 7- P 10 981. RY ( 3) H 16 0.34 3.50 0.044 63. BD ( 1) C 7- P 10 1039. RY ( 3) H 18 0.29 3.84 0.042 64. BD ( 1) C 7- H 16 88. BD*( 1)Tc 1- P 10 0.83 0.55 0.027 64. BD ( 1) C 7- H 16 1008. RY ( 1) H 17 0.42 3.32 0.047 64. BD ( 1) C 7- H 16 1037. RY ( 1) H 18 0.43 3.18 0.047 65. BD ( 1) C 7- H 17 97. BD*( 1) C 8- P 10 0.95 0.67 0.032 65. BD ( 1) C 7- H 17 660. RY ( 3) P 10 0.32 1.82 0.030 65. BD ( 1) C 7- H 17 980. RY ( 2) H 16 0.37 3.26 0.044 66. BD ( 1) C 7- H 18 101. BD*( 1) C 9- P 10 0.87 0.66 0.030 66. BD ( 1) C 7- H 18 660. RY ( 3) P 10 0.40 1.82 0.034 66. BD ( 1) C 7- H 18 980. RY ( 2) H 16 0.34 3.26 0.042 67. BD ( 1) C 8- P 10 88. BD*( 1)Tc 1- P 10 0.48 0.56 0.021 67. BD ( 1) C 8- P 10 93. BD*( 1) C 7- P 10 0.54 0.67 0.024 67. BD ( 1) C 8- P 10 95. BD*( 1) C 7- H 17 0.58 0.83 0.028 67. BD ( 1) C 8- P 10 101. BD*( 1) C 9- P 10 0.52 0.67 0.024 67. BD ( 1) C 8- P 10 104. BD*( 1) C 9- H 24 0.59 0.82 0.028 67. BD ( 1) C 8- P 10 131. RY (13)Tc 1 0.31 6.23 0.055 67. BD ( 1) C 8- P 10 137. RY (19)Tc 1 0.30 3.31 0.040 67. BD ( 1) C 8- P 10 142. RY (24)Tc 1 0.26 3.81 0.039 67. BD ( 1) C 8- P 10 502. RY ( 1) C 7 0.76 3.15 0.062 67. BD ( 1) C 8- P 10 504. RY ( 3) C 7 0.28 1.83 0.029 67. BD ( 1) C 8- P 10 509. RY ( 8) C 7 0.29 1.78 0.029 67. BD ( 1) C 8- P 10 606. RY ( 1) C 9 0.77 3.24 0.063 67. BD ( 1) C 8- P 10 613. RY ( 8) C 9 0.36 1.55 0.030 67. BD ( 1) C 8- P 10 665. RY ( 8) P 10 0.57 2.82 0.051 67. BD ( 1) C 8- P 10 677. RY (20) P 10 0.27 4.98 0.046 67. BD ( 1) C 8- P 10 1068. RY ( 3) H 19 0.31 3.66 0.043 67. BD ( 1) C 8- P 10 1125. RY ( 2) H 21 0.29 3.33 0.039 68. BD ( 1) C 8- H 19 88. BD*( 1)Tc 1- P 10 0.84 0.55 0.027 68. BD ( 1) C 8- H 19 1095. RY ( 1) H 20 0.40 3.08 0.044 68. BD ( 1) C 8- H 19 1124. RY ( 1) H 21 0.39 3.16 0.044 69. BD ( 1) C 8- H 20 101. BD*( 1) C 9- P 10 1.06 0.66 0.033 69. BD ( 1) C 8- H 20 661. RY ( 4) P 10 0.34 1.78 0.031 69. BD ( 1) C 8- H 20 1067. RY ( 2) H 19 0.35 3.30 0.043 69. BD ( 1) C 8- H 20 1124. RY ( 1) H 21 0.28 3.16 0.038 70. BD ( 1) C 8- H 21 93. BD*( 1) C 7- P 10 0.90 0.66 0.031 70. BD ( 1) C 8- H 21 660. RY ( 3) P 10 0.30 1.82 0.029 70. BD ( 1) C 8- H 21 1067. RY ( 2) H 19 0.37 3.31 0.044 71. BD ( 1) C 9- P 10 88. BD*( 1)Tc 1- P 10 0.45 0.56 0.020 71. BD ( 1) C 9- P 10 93. BD*( 1) C 7- P 10 0.52 0.67 0.024 71. BD ( 1) C 9- P 10 96. BD*( 1) C 7- H 18 0.56 0.84 0.027 71. BD ( 1) C 9- P 10 97. BD*( 1) C 8- P 10 0.53 0.68 0.024 71. BD ( 1) C 9- P 10 99. BD*( 1) C 8- H 20 0.53 0.84 0.027 71. BD ( 1) C 9- P 10 131. RY (13)Tc 1 0.38 6.24 0.061 71. BD ( 1) C 9- P 10 142. RY (24)Tc 1 0.31 3.82 0.044 71. BD ( 1) C 9- P 10 502. RY ( 1) C 7 0.91 3.15 0.068 71. BD ( 1) C 9- P 10 503. RY ( 2) C 7 0.29 2.45 0.034 71. BD ( 1) C 9- P 10 509. RY ( 8) C 7 0.39 1.78 0.033 71. BD ( 1) C 9- P 10 554. RY ( 1) C 8 0.73 2.87 0.058 71. BD ( 1) C 9- P 10 561. RY ( 8) C 8 0.25 1.95 0.028 71. BD ( 1) C 9- P 10 663. RY ( 6) P 10 0.63 1.82 0.043 71. BD ( 1) C 9- P 10 677. RY (20) P 10 0.37 4.98 0.054 71. BD ( 1) C 9- P 10 713. RY (56) P 10 0.30 7.65 0.061 71. BD ( 1) C 9- P 10 1155. RY ( 3) H 22 0.33 3.39 0.042 71. BD ( 1) C 9- P 10 1212. RY ( 2) H 24 0.29 3.44 0.040 72. BD ( 1) C 9- H 22 88. BD*( 1)Tc 1- P 10 0.83 0.56 0.027 72. BD ( 1) C 9- H 22 660. RY ( 3) P 10 0.26 1.83 0.028 72. BD ( 1) C 9- H 22 1182. RY ( 1) H 23 0.41 3.24 0.046 72. BD ( 1) C 9- H 22 1211. RY ( 1) H 24 0.37 3.33 0.044 73. BD ( 1) C 9- H 23 93. BD*( 1) C 7- P 10 0.94 0.67 0.032 73. BD ( 1) C 9- H 23 661. RY ( 4) P 10 0.35 1.79 0.032 73. BD ( 1) C 9- H 23 1154. RY ( 2) H 22 0.33 3.17 0.041 73. BD ( 1) C 9- H 23 1211. RY ( 1) H 24 0.28 3.33 0.039 74. BD ( 1) C 9- H 24 97. BD*( 1) C 8- P 10 0.96 0.67 0.032 74. BD ( 1) C 9- H 24 661. RY ( 4) P 10 0.45 1.79 0.036 74. BD ( 1) C 9- H 24 1154. RY ( 2) H 22 0.37 3.17 0.043 75. BD ( 1) C 11- C 12 88. BD*( 1)Tc 1- P 10 2.18 0.64 0.047 75. BD ( 1) C 11- C 12 111. BD*( 1) C 13- H 27 1.25 0.95 0.043 75. BD ( 1) C 11- C 12 114. BD*( 1) C 15- H 28 1.45 0.96 0.047 75. BD ( 1) C 11- C 12 117. 3C*( 1)Tc1-C12-C13 1.09 0.62 0.033 75. BD ( 1) C 11- C 12 824. RY ( 2) C 13 0.54 2.14 0.043 75. BD ( 1) C 11- C 12 825. RY ( 3) C 13 0.54 2.87 0.049 75. BD ( 1) C 11- C 12 927. RY ( 1) C 15 0.41 2.11 0.037 75. BD ( 1) C 11- C 12 928. RY ( 2) C 15 0.83 2.08 0.053 75. BD ( 1) C 11- C 12 1242. RY ( 3) H 25 0.28 3.09 0.037 75. BD ( 1) C 11- C 12 1270. RY ( 2) H 26 0.51 3.46 0.053 76. BD ( 1) C 11- C 15 88. BD*( 1)Tc 1- P 10 2.60 0.64 0.052 76. BD ( 1) C 11- C 15 109. BD*( 1) C 12- H 26 1.42 0.97 0.047 76. BD ( 1) C 11- C 15 113. BD*( 1) C 14- H 29 1.23 0.96 0.043 76. BD ( 1) C 11- C 15 118. 3C*( 1)Tc1-C14-C15 0.99 0.62 0.031 76. BD ( 1) C 11- C 15 771. RY ( 1) C 12 0.54 2.04 0.042 76. BD ( 1) C 11- C 15 772. RY ( 2) C 12 0.75 2.09 0.050 76. BD ( 1) C 11- C 15 876. RY ( 2) C 14 0.69 2.15 0.049 76. BD ( 1) C 11- C 15 877. RY ( 3) C 14 0.53 2.83 0.049 76. BD ( 1) C 11- C 15 1328. RY ( 2) H 28 0.52 3.53 0.054 77. BD ( 1) C 11- H 25 88. BD*( 1)Tc 1- P 10 1.02 0.56 0.030 77. BD ( 1) C 11- H 25 108. BD*( 1) C 12- C 13 0.94 0.92 0.037 77. BD ( 1) C 11- H 25 112. BD*( 1) C 14- C 15 0.95 0.93 0.037 77. BD ( 1) C 11- H 25 773. RY ( 3) C 12 0.50 3.08 0.050 77. BD ( 1) C 11- H 25 776. RY ( 6) C 12 0.30 4.18 0.045 77. BD ( 1) C 11- H 25 929. RY ( 3) C 15 0.55 3.09 0.052 77. BD ( 1) C 11- H 25 932. RY ( 6) C 15 0.36 5.24 0.055 77. BD ( 1) C 11- H 25 939. RY (13) C 15 0.25 4.64 0.043 78. BD ( 1) C 12- C 13 87. LV ( 1)Tc 1 0.32 1.19 0.025 78. BD ( 1) C 12- C 13 107. BD*( 1) C 11- H 25 1.24 0.97 0.044 78. BD ( 1) C 12- C 13 113. BD*( 1) C 14- H 29 1.23 0.95 0.043 78. BD ( 1) C 12- C 13 115. 3Cn( 1)Tc1-C12-C13 0.27 0.61 0.016 78. BD ( 1) C 12- C 13 720. RY ( 2) C 11 1.12 1.97 0.059 78. BD ( 1) C 12- C 13 876. RY ( 2) C 14 1.10 2.14 0.061 78. BD ( 1) C 12- C 13 1269. RY ( 1) H 26 0.25 1.95 0.028 78. BD ( 1) C 12- C 13 1271. RY ( 3) H 26 0.32 3.33 0.041 78. BD ( 1) C 12- C 13 1299. RY ( 2) H 27 0.33 3.16 0.041 79. BD ( 1) C 12- H 26 87. LV ( 1)Tc 1 0.51 1.12 0.030 79. BD ( 1) C 12- H 26 106. BD*( 1) C 11- C 15 0.95 0.95 0.038 79. BD ( 1) C 12- H 26 110. BD*( 1) C 13- C 14 0.95 0.91 0.037 79. BD ( 1) C 12- H 26 117. 3C*( 1)Tc1-C12-C13 0.39 0.55 0.018 79. BD ( 1) C 12- H 26 721. RY ( 3) C 11 0.72 2.62 0.055 79. BD ( 1) C 12- H 26 824. RY ( 2) C 13 0.30 2.06 0.031 79. BD ( 1) C 12- H 26 825. RY ( 3) C 13 0.46 2.79 0.045 79. BD ( 1) C 12- H 26 830. RY ( 8) C 13 0.27 3.48 0.038 80. BD ( 1) C 13- C 14 109. BD*( 1) C 12- H 26 1.29 0.94 0.044 80. BD ( 1) C 13- C 14 114. BD*( 1) C 15- H 28 1.28 0.94 0.044 80. BD ( 1) C 13- C 14 115. 3Cn( 1)Tc1-C12-C13 2.46 0.60 0.048 80. BD ( 1) C 13- C 14 116. 3Cn( 1)Tc1-C14-C15 2.53 0.59 0.049 80. BD ( 1) C 13- C 14 117. 3C*( 1)Tc1-C12-C13 0.74 0.60 0.027 80. BD ( 1) C 13- C 14 118. 3C*( 1)Tc1-C14-C15 0.81 0.59 0.028 80. BD ( 1) C 13- C 14 772. RY ( 2) C 12 1.07 2.06 0.059 80. BD ( 1) C 13- C 14 928. RY ( 2) C 15 1.11 2.05 0.060 80. BD ( 1) C 13- C 14 1300. RY ( 3) H 27 0.34 3.89 0.046 80. BD ( 1) C 13- C 14 1357. RY ( 2) H 29 0.35 3.93 0.047 81. BD ( 1) C 13- H 27 105. BD*( 1) C 11- C 12 0.87 0.95 0.036 81. BD ( 1) C 13- H 27 112. BD*( 1) C 14- C 15 0.81 0.94 0.035 81. BD ( 1) C 13- H 27 115. 3Cn( 1)Tc1-C12-C13 0.93 0.55 0.029 81. BD ( 1) C 13- H 27 771. RY ( 1) C 12 0.26 1.96 0.028 81. BD ( 1) C 13- H 27 773. RY ( 3) C 12 0.39 3.09 0.044 81. BD ( 1) C 13- H 27 778. RY ( 8) C 12 0.27 3.30 0.038 81. BD ( 1) C 13- H 27 877. RY ( 3) C 14 0.57 2.75 0.050 81. BD ( 1) C 13- H 27 881. RY ( 7) C 14 0.33 5.02 0.052 82. BD ( 1) C 14- C 15 87. LV ( 1)Tc 1 0.34 1.19 0.025 82. BD ( 1) C 14- C 15 107. BD*( 1) C 11- H 25 1.27 0.97 0.044 82. BD ( 1) C 14- C 15 111. BD*( 1) C 13- H 27 1.23 0.94 0.043 82. BD ( 1) C 14- C 15 116. 3Cn( 1)Tc1-C14-C15 0.28 0.60 0.016 82. BD ( 1) C 14- C 15 720. RY ( 2) C 11 1.07 1.97 0.058 82. BD ( 1) C 14- C 15 824. RY ( 2) C 13 1.13 2.13 0.062 82. BD ( 1) C 14- C 15 1329. RY ( 3) H 28 0.36 3.40 0.044 82. BD ( 1) C 14- C 15 1358. RY ( 3) H 29 0.31 3.62 0.042 83. BD ( 1) C 14- H 29 87. LV ( 1)Tc 1 0.26 1.12 0.022 83. BD ( 1) C 14- H 29 106. BD*( 1) C 11- C 15 0.89 0.95 0.037 83. BD ( 1) C 14- H 29 108. BD*( 1) C 12- C 13 0.81 0.93 0.035 83. BD ( 1) C 14- H 29 116. 3Cn( 1)Tc1-C14-C15 0.92 0.54 0.028 83. BD ( 1) C 14- H 29 825. RY ( 3) C 13 0.54 2.79 0.049 83. BD ( 1) C 14- H 29 829. RY ( 7) C 13 0.35 5.17 0.054 83. BD ( 1) C 14- H 29 929. RY ( 3) C 15 0.47 3.09 0.048 83. BD ( 1) C 14- H 29 932. RY ( 6) C 15 0.29 5.25 0.049 83. BD ( 1) C 14- H 29 934. RY ( 8) C 15 0.28 3.47 0.039 84. BD ( 1) C 15- H 28 87. LV ( 1)Tc 1 0.44 1.12 0.028 84. BD ( 1) C 15- H 28 105. BD*( 1) C 11- C 12 0.96 0.95 0.038 84. BD ( 1) C 15- H 28 110. BD*( 1) C 13- C 14 0.97 0.91 0.037 84. BD ( 1) C 15- H 28 118. 3C*( 1)Tc1-C14-C15 0.41 0.54 0.019 84. BD ( 1) C 15- H 28 721. RY ( 3) C 11 0.69 2.61 0.054 84. BD ( 1) C 15- H 28 877. RY ( 3) C 14 0.53 2.75 0.048 85. 3C ( 1)Tc1-C12-C13 87. LV ( 1)Tc 1 9.67 0.95 0.121 85. 3C ( 1)Tc1-C12-C13 88. BD*( 1)Tc 1- P 10 10.70 0.40 0.083 85. 3C ( 1)Tc1-C12-C13 97. BD*( 1) C 8- P 10 0.48 0.52 0.020 85. 3C ( 1)Tc1-C12-C13 105. BD*( 1) C 11- C 12 0.68 0.78 0.029 85. 3C ( 1)Tc1-C12-C13 109. BD*( 1) C 12- H 26 0.53 0.72 0.025 85. 3C ( 1)Tc1-C12-C13 110. BD*( 1) C 13- C 14 2.55 0.74 0.055 85. 3C ( 1)Tc1-C12-C13 111. BD*( 1) C 13- H 27 0.46 0.71 0.023 85. 3C ( 1)Tc1-C12-C13 113. BD*( 1) C 14- H 29 0.68 0.72 0.028 85. 3C ( 1)Tc1-C12-C13 115. 3Cn( 1)Tc1-C12-C13 3.91 0.38 0.049 85. 3C ( 1)Tc1-C12-C13 116. 3Cn( 1)Tc1-C14-C15 9.65 0.37 0.076 85. 3C ( 1)Tc1-C12-C13 117. 3C*( 1)Tc1-C12-C13 1.29 0.38 0.028 85. 3C ( 1)Tc1-C12-C13 118. 3C*( 1)Tc1-C14-C15 27.17 0.38 0.128 85. 3C ( 1)Tc1-C12-C13 119. RY ( 1)Tc 1 5.47 2.69 0.153 85. 3C ( 1)Tc1-C12-C13 120. RY ( 2)Tc 1 8.53 2.91 0.199 85. 3C ( 1)Tc1-C12-C13 121. RY ( 3)Tc 1 0.83 3.01 0.063 85. 3C ( 1)Tc1-C12-C13 122. RY ( 4)Tc 1 0.36 1.60 0.030 85. 3C ( 1)Tc1-C12-C13 124. RY ( 6)Tc 1 4.54 3.35 0.156 85. 3C ( 1)Tc1-C12-C13 125. RY ( 7)Tc 1 5.78 3.09 0.169 85. 3C ( 1)Tc1-C12-C13 126. RY ( 8)Tc 1 3.03 2.53 0.111 85. 3C ( 1)Tc1-C12-C13 127. RY ( 9)Tc 1 1.46 2.44 0.075 85. 3C ( 1)Tc1-C12-C13 129. RY (11)Tc 1 3.78 3.85 0.152 85. 3C ( 1)Tc1-C12-C13 130. RY (12)Tc 1 2.30 3.65 0.116 85. 3C ( 1)Tc1-C12-C13 131. RY (13)Tc 1 3.67 6.08 0.188 85. 3C ( 1)Tc1-C12-C13 132. RY (14)Tc 1 5.98 5.51 0.229 85. 3C ( 1)Tc1-C12-C13 134. RY (16)Tc 1 0.64 2.42 0.050 85. 3C ( 1)Tc1-C12-C13 135. RY (17)Tc 1 0.34 2.86 0.039 85. 3C ( 1)Tc1-C12-C13 138. RY (20)Tc 1 6.26 4.94 0.222 85. 3C ( 1)Tc1-C12-C13 139. RY (21)Tc 1 1.09 3.33 0.076 85. 3C ( 1)Tc1-C12-C13 141. RY (23)Tc 1 1.94 3.75 0.108 85. 3C ( 1)Tc1-C12-C13 144. RY (26)Tc 1 0.31 2.94 0.038 85. 3C ( 1)Tc1-C12-C13 145. RY (27)Tc 1 0.60 3.03 0.054 85. 3C ( 1)Tc1-C12-C13 146. RY (28)Tc 1 1.50 4.32 0.101 85. 3C ( 1)Tc1-C12-C13 147. RY (29)Tc 1 0.37 3.65 0.046 85. 3C ( 1)Tc1-C12-C13 151. RY (33)Tc 1 1.19 4.79 0.095 85. 3C ( 1)Tc1-C12-C13 152. RY (34)Tc 1 1.19 5.45 0.102 85. 3C ( 1)Tc1-C12-C13 156. RY (38)Tc 1 0.79 3.71 0.068 85. 3C ( 1)Tc1-C12-C13 157. RY (39)Tc 1 0.39 5.67 0.060 85. 3C ( 1)Tc1-C12-C13 158. RY (40)Tc 1 0.37 6.16 0.060 85. 3C ( 1)Tc1-C12-C13 161. RY (43)Tc 1 1.19 4.10 0.088 85. 3C ( 1)Tc1-C12-C13 163. RY (45)Tc 1 0.61 5.50 0.073 85. 3C ( 1)Tc1-C12-C13 164. RY (46)Tc 1 0.91 11.95 0.131 85. 3C ( 1)Tc1-C12-C13 165. RY (47)Tc 1 0.45 12.23 0.094 85. 3C ( 1)Tc1-C12-C13 166. RY (48)Tc 1 0.37 8.34 0.071 85. 3C ( 1)Tc1-C12-C13 167. RY (49)Tc 1 1.09 8.76 0.123 85. 3C ( 1)Tc1-C12-C13 168. RY (50)Tc 1 0.77 10.21 0.112 85. 3C ( 1)Tc1-C12-C13 169. RY (51)Tc 1 1.42 23.85 0.233 85. 3C ( 1)Tc1-C12-C13 170. RY (52)Tc 1 0.88 14.27 0.141 85. 3C ( 1)Tc1-C12-C13 171. RY (53)Tc 1 0.30 7.05 0.058 85. 3C ( 1)Tc1-C12-C13 174. RY (56)Tc 1 0.55 8.09 0.084 85. 3C ( 1)Tc1-C12-C13 177. RY (59)Tc 1 0.55 5.44 0.069 85. 3C ( 1)Tc1-C12-C13 185. RY (67)Tc 1 0.53 4.45 0.061 85. 3C ( 1)Tc1-C12-C13 189. RY (71)Tc 1 1.13 5.60 0.100 85. 3C ( 1)Tc1-C12-C13 191. RY (73)Tc 1 0.31 4.71 0.048 85. 3C ( 1)Tc1-C12-C13 192. RY (74)Tc 1 2.34 5.64 0.145 85. 3C ( 1)Tc1-C12-C13 193. RY (75)Tc 1 0.48 4.30 0.057 85. 3C ( 1)Tc1-C12-C13 554. RY ( 1) C 8 0.26 2.72 0.033 85. 3C ( 1)Tc1-C12-C13 606. RY ( 1) C 9 0.28 3.09 0.037 85. 3C ( 1)Tc1-C12-C13 658. RY ( 1) P 10 0.92 1.92 0.053 85. 3C ( 1)Tc1-C12-C13 660. RY ( 3) P 10 0.27 1.68 0.027 85. 3C ( 1)Tc1-C12-C13 662. RY ( 5) P 10 3.70 2.22 0.114 85. 3C ( 1)Tc1-C12-C13 665. RY ( 8) P 10 3.13 2.67 0.115 85. 3C ( 1)Tc1-C12-C13 667. RY (10) P 10 0.67 2.75 0.054 85. 3C ( 1)Tc1-C12-C13 668. RY (11) P 10 0.85 3.19 0.066 85. 3C ( 1)Tc1-C12-C13 669. RY (12) P 10 0.52 3.19 0.051 85. 3C ( 1)Tc1-C12-C13 671. RY (14) P 10 0.83 3.72 0.070 85. 3C ( 1)Tc1-C12-C13 674. RY (17) P 10 1.92 3.36 0.101 85. 3C ( 1)Tc1-C12-C13 675. RY (18) P 10 1.49 2.68 0.080 85. 3C ( 1)Tc1-C12-C13 676. RY (19) P 10 3.96 4.91 0.176 85. 3C ( 1)Tc1-C12-C13 678. RY (21) P 10 1.58 3.98 0.100 85. 3C ( 1)Tc1-C12-C13 719. RY ( 1) C 11 2.78 2.44 0.104 85. 3C ( 1)Tc1-C12-C13 721. RY ( 3) C 11 0.61 2.45 0.049 85. 3C ( 1)Tc1-C12-C13 722. RY ( 4) C 11 1.17 1.71 0.056 85. 3C ( 1)Tc1-C12-C13 723. RY ( 5) C 11 0.46 2.92 0.046 85. 3C ( 1)Tc1-C12-C13 728. RY (10) C 11 0.80 2.91 0.061 85. 3C ( 1)Tc1-C12-C13 730. RY (12) C 11 0.57 4.02 0.060 85. 3C ( 1)Tc1-C12-C13 771. RY ( 1) C 12 0.71 1.80 0.045 85. 3C ( 1)Tc1-C12-C13 773. RY ( 3) C 12 1.60 2.92 0.086 85. 3C ( 1)Tc1-C12-C13 781. RY (11) C 12 0.38 3.30 0.045 85. 3C ( 1)Tc1-C12-C13 823. RY ( 1) C 13 0.75 1.84 0.047 85. 3C ( 1)Tc1-C12-C13 825. RY ( 3) C 13 0.62 2.63 0.051 85. 3C ( 1)Tc1-C12-C13 833. RY (11) C 13 0.30 3.59 0.042 85. 3C ( 1)Tc1-C12-C13 875. RY ( 1) C 14 1.37 1.90 0.064 85. 3C ( 1)Tc1-C12-C13 877. RY ( 3) C 14 0.45 2.58 0.043 85. 3C ( 1)Tc1-C12-C13 878. RY ( 4) C 14 0.81 1.92 0.050 85. 3C ( 1)Tc1-C12-C13 879. RY ( 5) C 14 0.48 3.20 0.050 85. 3C ( 1)Tc1-C12-C13 882. RY ( 8) C 14 0.25 3.20 0.036 85. 3C ( 1)Tc1-C12-C13 889. RY (15) C 14 0.54 4.20 0.060 85. 3C ( 1)Tc1-C12-C13 927. RY ( 1) C 15 2.89 1.87 0.093 85. 3C ( 1)Tc1-C12-C13 928. RY ( 2) C 15 0.34 1.84 0.032 85. 3C ( 1)Tc1-C12-C13 929. RY ( 3) C 15 1.47 2.93 0.083 85. 3C ( 1)Tc1-C12-C13 935. RY ( 9) C 15 0.35 2.81 0.040 85. 3C ( 1)Tc1-C12-C13 937. RY (11) C 15 0.52 3.38 0.053 85. 3C ( 1)Tc1-C12-C13 1066. RY ( 1) H 19 0.27 1.49 0.025 85. 3C ( 1)Tc1-C12-C13 1272. RY ( 4) H 26 0.44 3.36 0.048 85. 3C ( 1)Tc1-C12-C13 1301. RY ( 4) H 27 0.33 3.85 0.045 86. 3C ( 1)Tc1-C14-C15 87. LV ( 1)Tc 1 9.10 0.95 0.117 86. 3C ( 1)Tc1-C14-C15 88. BD*( 1)Tc 1- P 10 8.45 0.40 0.073 86. 3C ( 1)Tc1-C14-C15 97. BD*( 1) C 8- P 10 0.25 0.52 0.014 86. 3C ( 1)Tc1-C14-C15 106. BD*( 1) C 11- C 15 0.64 0.79 0.028 86. 3C ( 1)Tc1-C14-C15 110. BD*( 1) C 13- C 14 2.75 0.74 0.057 86. 3C ( 1)Tc1-C14-C15 111. BD*( 1) C 13- H 27 0.69 0.71 0.028 86. 3C ( 1)Tc1-C14-C15 113. BD*( 1) C 14- H 29 0.41 0.72 0.022 86. 3C ( 1)Tc1-C14-C15 114. BD*( 1) C 15- H 28 0.51 0.72 0.024 86. 3C ( 1)Tc1-C14-C15 115. 3Cn( 1)Tc1-C12-C13 8.20 0.38 0.070 86. 3C ( 1)Tc1-C14-C15 116. 3Cn( 1)Tc1-C14-C15 3.54 0.37 0.046 86. 3C ( 1)Tc1-C14-C15 117. 3C*( 1)Tc1-C12-C13 29.06 0.38 0.133 86. 3C ( 1)Tc1-C14-C15 118. 3C*( 1)Tc1-C14-C15 0.90 0.38 0.023 86. 3C ( 1)Tc1-C14-C15 119. RY ( 1)Tc 1 5.21 2.69 0.149 86. 3C ( 1)Tc1-C14-C15 120. RY ( 2)Tc 1 8.49 2.91 0.198 86. 3C ( 1)Tc1-C14-C15 121. RY ( 3)Tc 1 0.46 3.01 0.047 86. 3C ( 1)Tc1-C14-C15 122. RY ( 4)Tc 1 0.54 1.60 0.037 86. 3C ( 1)Tc1-C14-C15 124. RY ( 6)Tc 1 4.26 3.35 0.151 86. 3C ( 1)Tc1-C14-C15 125. RY ( 7)Tc 1 5.09 3.08 0.158 86. 3C ( 1)Tc1-C14-C15 126. RY ( 8)Tc 1 3.04 2.53 0.111 86. 3C ( 1)Tc1-C14-C15 127. RY ( 9)Tc 1 1.56 2.44 0.078 86. 3C ( 1)Tc1-C14-C15 128. RY (10)Tc 1 0.55 2.65 0.048 86. 3C ( 1)Tc1-C14-C15 129. RY (11)Tc 1 3.20 3.85 0.140 86. 3C ( 1)Tc1-C14-C15 130. RY (12)Tc 1 1.79 3.64 0.102 86. 3C ( 1)Tc1-C14-C15 131. RY (13)Tc 1 3.66 6.08 0.188 86. 3C ( 1)Tc1-C14-C15 132. RY (14)Tc 1 5.36 5.51 0.217 86. 3C ( 1)Tc1-C14-C15 134. RY (16)Tc 1 0.48 2.42 0.043 86. 3C ( 1)Tc1-C14-C15 135. RY (17)Tc 1 0.37 2.86 0.041 86. 3C ( 1)Tc1-C14-C15 138. RY (20)Tc 1 5.48 4.94 0.208 86. 3C ( 1)Tc1-C14-C15 139. RY (21)Tc 1 1.33 3.33 0.084 86. 3C ( 1)Tc1-C14-C15 141. RY (23)Tc 1 2.30 3.75 0.117 86. 3C ( 1)Tc1-C14-C15 144. RY (26)Tc 1 0.48 2.94 0.048 86. 3C ( 1)Tc1-C14-C15 145. RY (27)Tc 1 0.50 3.03 0.049 86. 3C ( 1)Tc1-C14-C15 146. RY (28)Tc 1 1.28 4.32 0.094 86. 3C ( 1)Tc1-C14-C15 147. RY (29)Tc 1 0.66 3.65 0.062 86. 3C ( 1)Tc1-C14-C15 151. RY (33)Tc 1 1.51 4.79 0.107 86. 3C ( 1)Tc1-C14-C15 152. RY (34)Tc 1 1.00 5.45 0.093 86. 3C ( 1)Tc1-C14-C15 156. RY (38)Tc 1 0.85 3.71 0.071 86. 3C ( 1)Tc1-C14-C15 157. RY (39)Tc 1 0.34 5.67 0.055 86. 3C ( 1)Tc1-C14-C15 158. RY (40)Tc 1 0.30 6.16 0.054 86. 3C ( 1)Tc1-C14-C15 161. RY (43)Tc 1 1.02 4.10 0.082 86. 3C ( 1)Tc1-C14-C15 163. RY (45)Tc 1 0.62 5.50 0.074 86. 3C ( 1)Tc1-C14-C15 164. RY (46)Tc 1 0.78 11.95 0.122 86. 3C ( 1)Tc1-C14-C15 165. RY (47)Tc 1 0.37 12.22 0.085 86. 3C ( 1)Tc1-C14-C15 166. RY (48)Tc 1 0.46 8.34 0.078 86. 3C ( 1)Tc1-C14-C15 167. RY (49)Tc 1 0.98 8.76 0.117 86. 3C ( 1)Tc1-C14-C15 168. RY (50)Tc 1 0.72 10.21 0.109 86. 3C ( 1)Tc1-C14-C15 169. RY (51)Tc 1 1.30 23.85 0.222 86. 3C ( 1)Tc1-C14-C15 170. RY (52)Tc 1 0.72 14.26 0.128 86. 3C ( 1)Tc1-C14-C15 171. RY (53)Tc 1 0.29 7.05 0.057 86. 3C ( 1)Tc1-C14-C15 174. RY (56)Tc 1 0.54 8.09 0.084 86. 3C ( 1)Tc1-C14-C15 177. RY (59)Tc 1 0.57 5.44 0.070 86. 3C ( 1)Tc1-C14-C15 185. RY (67)Tc 1 0.59 4.45 0.065 86. 3C ( 1)Tc1-C14-C15 189. RY (71)Tc 1 0.89 5.60 0.089 86. 3C ( 1)Tc1-C14-C15 192. RY (74)Tc 1 2.34 5.64 0.145 86. 3C ( 1)Tc1-C14-C15 193. RY (75)Tc 1 0.48 4.30 0.057 86. 3C ( 1)Tc1-C14-C15 502. RY ( 1) C 7 0.28 2.99 0.037 86. 3C ( 1)Tc1-C14-C15 658. RY ( 1) P 10 0.85 1.92 0.051 86. 3C ( 1)Tc1-C14-C15 662. RY ( 5) P 10 3.63 2.21 0.113 86. 3C ( 1)Tc1-C14-C15 665. RY ( 8) P 10 3.04 2.67 0.114 86. 3C ( 1)Tc1-C14-C15 666. RY ( 9) P 10 0.40 2.47 0.040 86. 3C ( 1)Tc1-C14-C15 667. RY (10) P 10 0.64 2.75 0.053 86. 3C ( 1)Tc1-C14-C15 668. RY (11) P 10 0.77 3.19 0.063 86. 3C ( 1)Tc1-C14-C15 669. RY (12) P 10 0.55 3.18 0.053 86. 3C ( 1)Tc1-C14-C15 671. RY (14) P 10 0.76 3.72 0.067 86. 3C ( 1)Tc1-C14-C15 674. RY (17) P 10 1.90 3.36 0.101 86. 3C ( 1)Tc1-C14-C15 675. RY (18) P 10 1.35 2.68 0.076 86. 3C ( 1)Tc1-C14-C15 676. RY (19) P 10 3.75 4.91 0.171 86. 3C ( 1)Tc1-C14-C15 678. RY (21) P 10 1.27 3.98 0.090 86. 3C ( 1)Tc1-C14-C15 680. RY (23) P 10 0.28 4.52 0.045 86. 3C ( 1)Tc1-C14-C15 719. RY ( 1) C 11 2.64 2.44 0.101 86. 3C ( 1)Tc1-C14-C15 721. RY ( 3) C 11 0.57 2.45 0.047 86. 3C ( 1)Tc1-C14-C15 722. RY ( 4) C 11 1.11 1.71 0.055 86. 3C ( 1)Tc1-C14-C15 723. RY ( 5) C 11 0.42 2.92 0.044 86. 3C ( 1)Tc1-C14-C15 728. RY (10) C 11 0.77 2.91 0.060 86. 3C ( 1)Tc1-C14-C15 730. RY (12) C 11 0.55 4.02 0.059 86. 3C ( 1)Tc1-C14-C15 771. RY ( 1) C 12 2.12 1.79 0.078 86. 3C ( 1)Tc1-C14-C15 772. RY ( 2) C 12 0.60 1.85 0.042 86. 3C ( 1)Tc1-C14-C15 773. RY ( 3) C 12 1.52 2.92 0.084 86. 3C ( 1)Tc1-C14-C15 781. RY (11) C 12 0.46 3.29 0.049 86. 3C ( 1)Tc1-C14-C15 823. RY ( 1) C 13 0.79 1.83 0.048 86. 3C ( 1)Tc1-C14-C15 824. RY ( 2) C 13 0.28 1.89 0.029 86. 3C ( 1)Tc1-C14-C15 825. RY ( 3) C 13 0.44 2.62 0.043 86. 3C ( 1)Tc1-C14-C15 826. RY ( 4) C 13 0.40 1.97 0.035 86. 3C ( 1)Tc1-C14-C15 827. RY ( 5) C 13 0.62 3.12 0.055 86. 3C ( 1)Tc1-C14-C15 836. RY (14) C 13 0.40 3.78 0.049 86. 3C ( 1)Tc1-C14-C15 875. RY ( 1) C 14 1.18 1.90 0.060 86. 3C ( 1)Tc1-C14-C15 877. RY ( 3) C 14 0.58 2.58 0.049 86. 3C ( 1)Tc1-C14-C15 927. RY ( 1) C 15 1.08 1.87 0.057 86. 3C ( 1)Tc1-C14-C15 929. RY ( 3) C 15 1.50 2.93 0.084 86. 3C ( 1)Tc1-C14-C15 937. RY (11) C 15 0.44 3.38 0.049 86. 3C ( 1)Tc1-C14-C15 1330. RY ( 4) H 28 0.41 3.35 0.047 86. 3C ( 1)Tc1-C14-C15 1359. RY ( 4) H 29 0.33 3.75 0.044 from unit 1 to unit 2 43. LP ( 1)Tc 1 89. BD*( 1) S 2- S 3 0.14 0.24 0.007 43. LP ( 1)Tc 1 90. BD*( 1) S 3- S 4 0.04 0.23 0.004 43. LP ( 1)Tc 1 91. BD*( 1) S 4- S 5 0.05 0.23 0.004 43. LP ( 1)Tc 1 92. BD*( 1) S 5- S 6 0.19 0.24 0.009 43. LP ( 1)Tc 1 197. RY ( 1) S 2 0.68 1.09 0.034 43. LP ( 1)Tc 1 198. RY ( 2) S 2 0.29 1.28 0.024 43. LP ( 1)Tc 1 199. RY ( 3) S 2 0.73 1.33 0.039 43. LP ( 1)Tc 1 200. RY ( 4) S 2 0.05 1.30 0.010 43. LP ( 1)Tc 1 201. RY ( 5) S 2 1.19 3.22 0.078 43. LP ( 1)Tc 1 202. RY ( 6) S 2 0.72 2.37 0.052 43. LP ( 1)Tc 1 204. RY ( 8) S 2 1.05 3.17 0.073 43. LP ( 1)Tc 1 208. RY (12) S 2 0.14 2.16 0.022 43. LP ( 1)Tc 1 210. RY (14) S 2 0.03 1.69 0.009 43. LP ( 1)Tc 1 211. RY (15) S 2 0.10 2.80 0.021 43. LP ( 1)Tc 1 213. RY (17) S 2 0.09 2.89 0.020 43. LP ( 1)Tc 1 216. RY (20) S 2 0.12 2.89 0.024 43. LP ( 1)Tc 1 260. RY ( 3) S 3 0.06 0.81 0.009 43. LP ( 1)Tc 1 261. RY ( 4) S 3 0.11 0.98 0.013 43. LP ( 1)Tc 1 263. RY ( 6) S 3 0.03 1.78 0.009 43. LP ( 1)Tc 1 269. RY (12) S 3 0.04 1.98 0.011 43. LP ( 1)Tc 1 382. RY ( 3) S 5 0.07 0.80 0.009 43. LP ( 1)Tc 1 383. RY ( 4) S 5 0.11 0.97 0.013 43. LP ( 1)Tc 1 385. RY ( 6) S 5 0.03 1.74 0.009 43. LP ( 1)Tc 1 391. RY (12) S 5 0.03 1.98 0.009 43. LP ( 1)Tc 1 441. RY ( 1) S 6 0.81 1.09 0.037 43. LP ( 1)Tc 1 442. RY ( 2) S 6 0.54 1.32 0.034 43. LP ( 1)Tc 1 443. RY ( 3) S 6 0.43 1.40 0.031 43. LP ( 1)Tc 1 444. RY ( 4) S 6 0.13 1.19 0.015 43. LP ( 1)Tc 1 445. RY ( 5) S 6 1.10 3.11 0.074 43. LP ( 1)Tc 1 446. RY ( 6) S 6 0.86 2.55 0.059 43. LP ( 1)Tc 1 448. RY ( 8) S 6 1.03 2.83 0.068 43. LP ( 1)Tc 1 452. RY (12) S 6 0.04 2.23 0.012 43. LP ( 1)Tc 1 453. RY (13) S 6 0.11 1.88 0.018 43. LP ( 1)Tc 1 455. RY (15) S 6 0.10 3.32 0.023 43. LP ( 1)Tc 1 457. RY (17) S 6 0.05 2.58 0.014 43. LP ( 1)Tc 1 460. RY (20) S 6 0.08 3.30 0.020 43. LP ( 1)Tc 1 468. RY (28) S 6 0.03 4.46 0.014 43. LP ( 1)Tc 1 483. RY (43) S 6 0.03 3.04 0.012 44. LP ( 2)Tc 1 89. BD*( 1) S 2- S 3 2.01 0.23 0.027 44. LP ( 2)Tc 1 92. BD*( 1) S 5- S 6 1.77 0.24 0.026 44. LP ( 2)Tc 1 197. RY ( 1) S 2 0.81 1.08 0.037 44. LP ( 2)Tc 1 198. RY ( 2) S 2 0.04 1.28 0.009 44. LP ( 2)Tc 1 199. RY ( 3) S 2 0.03 1.33 0.008 44. LP ( 2)Tc 1 203. RY ( 7) S 2 0.06 1.97 0.013 44. LP ( 2)Tc 1 205. RY ( 9) S 2 0.11 2.08 0.019 44. LP ( 2)Tc 1 209. RY (13) S 2 0.07 1.57 0.013 44. LP ( 2)Tc 1 250. RY (54) S 2 0.03 15.05 0.026 44. LP ( 2)Tc 1 260. RY ( 3) S 3 0.11 0.80 0.012 44. LP ( 2)Tc 1 262. RY ( 5) S 3 0.13 1.63 0.018 44. LP ( 2)Tc 1 263. RY ( 6) S 3 0.10 1.78 0.017 44. LP ( 2)Tc 1 266. RY ( 9) S 3 0.04 2.05 0.012 44. LP ( 2)Tc 1 289. RY (32) S 3 0.03 3.61 0.012 44. LP ( 2)Tc 1 304. RY (47) S 3 0.03 2.33 0.011 44. LP ( 2)Tc 1 382. RY ( 3) S 5 0.10 0.80 0.011 44. LP ( 2)Tc 1 384. RY ( 5) S 5 0.12 1.66 0.018 44. LP ( 2)Tc 1 385. RY ( 6) S 5 0.08 1.74 0.015 44. LP ( 2)Tc 1 388. RY ( 9) S 5 0.04 2.10 0.011 44. LP ( 2)Tc 1 411. RY (32) S 5 0.03 3.83 0.012 44. LP ( 2)Tc 1 441. RY ( 1) S 6 0.65 1.09 0.034 44. LP ( 2)Tc 1 443. RY ( 3) S 6 0.10 1.40 0.015 44. LP ( 2)Tc 1 445. RY ( 5) S 6 0.04 3.10 0.013 44. LP ( 2)Tc 1 447. RY ( 7) S 6 0.04 2.06 0.011 44. LP ( 2)Tc 1 449. RY ( 9) S 6 0.08 2.36 0.017 44. LP ( 2)Tc 1 453. RY (13) S 6 0.07 1.87 0.015 57. LP ( 1) C 11 89. BD*( 1) S 2- S 3 0.06 0.17 0.004 57. LP ( 1) C 11 92. BD*( 1) S 5- S 6 0.04 0.18 0.003 57. LP ( 1) C 11 198. RY ( 2) S 2 0.07 1.22 0.011 57. LP ( 1) C 11 199. RY ( 3) S 2 0.10 1.27 0.014 57. LP ( 1) C 11 201. RY ( 5) S 2 0.48 3.16 0.049 57. LP ( 1) C 11 202. RY ( 6) S 2 0.30 2.31 0.033 57. LP ( 1) C 11 204. RY ( 8) S 2 0.42 3.10 0.046 57. LP ( 1) C 11 211. RY (15) S 2 0.03 2.73 0.011 57. LP ( 1) C 11 213. RY (17) S 2 0.08 2.83 0.019 57. LP ( 1) C 11 216. RY (20) S 2 0.04 2.83 0.013 57. LP ( 1) C 11 258. RY ( 1) S 3 0.03 0.82 0.006 57. LP ( 1) C 11 264. RY ( 7) S 3 0.06 1.65 0.012 57. LP ( 1) C 11 380. RY ( 1) S 5 0.04 0.82 0.007 57. LP ( 1) C 11 386. RY ( 7) S 5 0.05 1.65 0.012 57. LP ( 1) C 11 442. RY ( 2) S 6 0.10 1.25 0.014 57. LP ( 1) C 11 443. RY ( 3) S 6 0.07 1.34 0.012 57. LP ( 1) C 11 445. RY ( 5) S 6 0.46 3.04 0.047 57. LP ( 1) C 11 446. RY ( 6) S 6 0.34 2.48 0.037 57. LP ( 1) C 11 448. RY ( 8) S 6 0.39 2.76 0.041 57. LP ( 1) C 11 455. RY (15) S 6 0.03 3.26 0.012 57. LP ( 1) C 11 459. RY (19) S 6 0.05 2.60 0.014 57. LP ( 1) C 11 460. RY (20) S 6 0.03 3.24 0.012 58. BD ( 1)Tc 1- P 10 89. BD*( 1) S 2- S 3 0.44 0.41 0.017 58. BD ( 1)Tc 1- P 10 92. BD*( 1) S 5- S 6 0.48 0.41 0.018 58. BD ( 1)Tc 1- P 10 199. RY ( 3) S 2 0.18 1.50 0.021 58. BD ( 1)Tc 1- P 10 201. RY ( 5) S 2 0.86 3.39 0.068 58. BD ( 1)Tc 1- P 10 202. RY ( 6) S 2 0.34 2.54 0.037 58. BD ( 1)Tc 1- P 10 204. RY ( 8) S 2 0.51 3.34 0.052 58. BD ( 1)Tc 1- P 10 205. RY ( 9) S 2 0.05 2.26 0.014 58. BD ( 1)Tc 1- P 10 207. RY (11) S 2 0.04 2.01 0.012 58. BD ( 1)Tc 1- P 10 208. RY (12) S 2 0.05 2.32 0.014 58. BD ( 1)Tc 1- P 10 258. RY ( 1) S 3 0.03 1.05 0.007 58. BD ( 1)Tc 1- P 10 263. RY ( 6) S 3 0.04 1.95 0.011 58. BD ( 1)Tc 1- P 10 264. RY ( 7) S 3 0.07 1.89 0.015 58. BD ( 1)Tc 1- P 10 267. RY (10) S 3 0.03 2.05 0.010 58. BD ( 1)Tc 1- P 10 269. RY (12) S 3 0.03 2.15 0.010 58. BD ( 1)Tc 1- P 10 380. RY ( 1) S 5 0.03 1.05 0.007 58. BD ( 1)Tc 1- P 10 385. RY ( 6) S 5 0.03 1.91 0.009 58. BD ( 1)Tc 1- P 10 386. RY ( 7) S 5 0.05 1.88 0.012 58. BD ( 1)Tc 1- P 10 442. RY ( 2) S 6 0.03 1.48 0.008 58. BD ( 1)Tc 1- P 10 443. RY ( 3) S 6 0.15 1.57 0.019 58. BD ( 1)Tc 1- P 10 445. RY ( 5) S 6 0.75 3.28 0.063 58. BD ( 1)Tc 1- P 10 446. RY ( 6) S 6 0.39 2.72 0.041 58. BD ( 1)Tc 1- P 10 448. RY ( 8) S 6 0.56 3.00 0.052 58. BD ( 1)Tc 1- P 10 449. RY ( 9) S 6 0.04 2.54 0.012 58. BD ( 1)Tc 1- P 10 459. RY (19) S 6 0.03 2.83 0.011 63. BD ( 1) C 7- P 10 92. BD*( 1) S 5- S 6 0.03 0.53 0.005 63. BD ( 1) C 7- P 10 205. RY ( 9) S 2 0.04 2.37 0.012 63. BD ( 1) C 7- P 10 210. RY (14) S 2 0.04 1.98 0.011 63. BD ( 1) C 7- P 10 441. RY ( 1) S 6 0.04 1.38 0.009 63. BD ( 1) C 7- P 10 446. RY ( 6) S 6 0.03 2.84 0.011 66. BD ( 1) C 7- H 18 92. BD*( 1) S 5- S 6 0.21 0.52 0.013 66. BD ( 1) C 7- H 18 445. RY ( 5) S 6 0.03 3.38 0.013 67. BD ( 1) C 8- P 10 197. RY ( 1) S 2 0.03 1.38 0.008 67. BD ( 1) C 8- P 10 202. RY ( 6) S 2 0.06 2.66 0.016 67. BD ( 1) C 8- P 10 446. RY ( 6) S 6 0.04 2.83 0.014 70. BD ( 1) C 8- H 21 89. BD*( 1) S 2- S 3 0.11 0.51 0.010 78. BD ( 1) C 12- C 13 199. RY ( 3) S 2 0.03 1.70 0.008 85. 3C ( 1)Tc1-C12-C13 197. RY ( 1) S 2 0.03 1.22 0.007 85. 3C ( 1)Tc1-C12-C13 198. RY ( 2) S 2 0.51 1.41 0.034 85. 3C ( 1)Tc1-C12-C13 199. RY ( 3) S 2 0.09 1.47 0.014 85. 3C ( 1)Tc1-C12-C13 200. RY ( 4) S 2 0.03 1.44 0.008 85. 3C ( 1)Tc1-C12-C13 201. RY ( 5) S 2 3.49 3.35 0.137 85. 3C ( 1)Tc1-C12-C13 202. RY ( 6) S 2 0.98 2.50 0.063 85. 3C ( 1)Tc1-C12-C13 203. RY ( 7) S 2 0.13 2.11 0.021 85. 3C ( 1)Tc1-C12-C13 204. RY ( 8) S 2 4.36 3.30 0.151 85. 3C ( 1)Tc1-C12-C13 205. RY ( 9) S 2 0.05 2.22 0.013 85. 3C ( 1)Tc1-C12-C13 208. RY (12) S 2 0.09 2.29 0.018 85. 3C ( 1)Tc1-C12-C13 209. RY (13) S 2 0.04 1.70 0.010 85. 3C ( 1)Tc1-C12-C13 211. RY (15) S 2 0.23 2.93 0.033 85. 3C ( 1)Tc1-C12-C13 212. RY (16) S 2 0.05 2.08 0.012 85. 3C ( 1)Tc1-C12-C13 213. RY (17) S 2 0.53 3.02 0.050 85. 3C ( 1)Tc1-C12-C13 215. RY (19) S 2 0.03 2.97 0.012 85. 3C ( 1)Tc1-C12-C13 216. RY (20) S 2 0.14 3.03 0.026 85. 3C ( 1)Tc1-C12-C13 227. RY (31) S 2 0.03 4.86 0.015 85. 3C ( 1)Tc1-C12-C13 229. RY (33) S 2 0.04 3.87 0.016 85. 3C ( 1)Tc1-C12-C13 233. RY (37) S 2 0.14 3.91 0.029 85. 3C ( 1)Tc1-C12-C13 237. RY (41) S 2 0.04 4.45 0.017 85. 3C ( 1)Tc1-C12-C13 259. RY ( 2) S 3 0.03 0.99 0.007 85. 3C ( 1)Tc1-C12-C13 261. RY ( 4) S 3 0.07 1.12 0.011 85. 3C ( 1)Tc1-C12-C13 264. RY ( 7) S 3 0.07 1.85 0.014 85. 3C ( 1)Tc1-C12-C13 267. RY (10) S 3 0.03 2.01 0.009 85. 3C ( 1)Tc1-C12-C13 268. RY (11) S 3 0.03 2.32 0.011 85. 3C ( 1)Tc1-C12-C13 269. RY (12) S 3 0.07 2.11 0.016 85. 3C ( 1)Tc1-C12-C13 319. RY ( 1) S 4 0.05 1.08 0.009 85. 3C ( 1)Tc1-C12-C13 322. RY ( 4) S 4 0.05 1.04 0.009 85. 3C ( 1)Tc1-C12-C13 324. RY ( 6) S 4 0.09 2.03 0.017 85. 3C ( 1)Tc1-C12-C13 328. RY (10) S 4 0.03 2.89 0.012 85. 3C ( 1)Tc1-C12-C13 332. RY (14) S 4 0.08 2.40 0.018 85. 3C ( 1)Tc1-C12-C13 381. RY ( 2) S 5 0.04 0.99 0.008 85. 3C ( 1)Tc1-C12-C13 383. RY ( 4) S 5 0.07 1.11 0.011 85. 3C ( 1)Tc1-C12-C13 384. RY ( 5) S 5 0.07 1.79 0.014 85. 3C ( 1)Tc1-C12-C13 386. RY ( 7) S 5 0.14 1.84 0.020 85. 3C ( 1)Tc1-C12-C13 388. RY ( 9) S 5 0.03 2.24 0.011 85. 3C ( 1)Tc1-C12-C13 389. RY (10) S 5 0.03 2.02 0.011 85. 3C ( 1)Tc1-C12-C13 393. RY (14) S 5 0.08 3.05 0.020 85. 3C ( 1)Tc1-C12-C13 421. RY (42) S 5 0.03 5.25 0.016 85. 3C ( 1)Tc1-C12-C13 441. RY ( 1) S 6 0.13 1.22 0.016 85. 3C ( 1)Tc1-C12-C13 442. RY ( 2) S 6 0.92 1.45 0.046 85. 3C ( 1)Tc1-C12-C13 443. RY ( 3) S 6 0.45 1.53 0.033 85. 3C ( 1)Tc1-C12-C13 444. RY ( 4) S 6 0.12 1.32 0.016 85. 3C ( 1)Tc1-C12-C13 445. RY ( 5) S 6 5.22 3.24 0.164 85. 3C ( 1)Tc1-C12-C13 446. RY ( 6) S 6 2.45 2.68 0.102 85. 3C ( 1)Tc1-C12-C13 447. RY ( 7) S 6 0.12 2.19 0.021 85. 3C ( 1)Tc1-C12-C13 448. RY ( 8) S 6 4.22 2.96 0.141 85. 3C ( 1)Tc1-C12-C13 449. RY ( 9) S 6 0.03 2.50 0.011 85. 3C ( 1)Tc1-C12-C13 450. RY (10) S 6 0.11 2.25 0.020 85. 3C ( 1)Tc1-C12-C13 452. RY (12) S 6 0.13 2.37 0.022 85. 3C ( 1)Tc1-C12-C13 455. RY (15) S 6 0.32 3.45 0.042 85. 3C ( 1)Tc1-C12-C13 457. RY (17) S 6 0.06 2.71 0.016 85. 3C ( 1)Tc1-C12-C13 459. RY (19) S 6 0.35 2.80 0.039 85. 3C ( 1)Tc1-C12-C13 460. RY (20) S 6 0.20 3.44 0.033 85. 3C ( 1)Tc1-C12-C13 470. RY (30) S 6 0.04 5.18 0.018 85. 3C ( 1)Tc1-C12-C13 480. RY (40) S 6 0.06 3.77 0.019 85. 3C ( 1)Tc1-C12-C13 483. RY (43) S 6 0.07 3.17 0.019 86. 3C ( 1)Tc1-C14-C15 197. RY ( 1) S 2 0.10 1.22 0.014 86. 3C ( 1)Tc1-C14-C15 198. RY ( 2) S 2 0.51 1.41 0.034 86. 3C ( 1)Tc1-C14-C15 199. RY ( 3) S 2 0.72 1.46 0.041 86. 3C ( 1)Tc1-C14-C15 200. RY ( 4) S 2 0.05 1.43 0.011 86. 3C ( 1)Tc1-C14-C15 201. RY ( 5) S 2 5.32 3.35 0.168 86. 3C ( 1)Tc1-C14-C15 202. RY ( 6) S 2 1.84 2.50 0.086 86. 3C ( 1)Tc1-C14-C15 203. RY ( 7) S 2 0.12 2.10 0.020 86. 3C ( 1)Tc1-C14-C15 204. RY ( 8) S 2 4.15 3.30 0.148 86. 3C ( 1)Tc1-C14-C15 206. RY (10) S 2 0.04 2.33 0.012 86. 3C ( 1)Tc1-C14-C15 207. RY (11) S 2 0.04 1.97 0.011 86. 3C ( 1)Tc1-C14-C15 208. RY (12) S 2 0.05 2.29 0.013 86. 3C ( 1)Tc1-C14-C15 209. RY (13) S 2 0.05 1.70 0.011 86. 3C ( 1)Tc1-C14-C15 210. RY (14) S 2 0.03 1.82 0.009 86. 3C ( 1)Tc1-C14-C15 211. RY (15) S 2 0.33 2.93 0.039 86. 3C ( 1)Tc1-C14-C15 212. RY (16) S 2 0.05 2.07 0.013 86. 3C ( 1)Tc1-C14-C15 213. RY (17) S 2 0.43 3.02 0.045 86. 3C ( 1)Tc1-C14-C15 215. RY (19) S 2 0.04 2.97 0.013 86. 3C ( 1)Tc1-C14-C15 216. RY (20) S 2 0.17 3.02 0.029 86. 3C ( 1)Tc1-C14-C15 229. RY (33) S 2 0.03 3.87 0.013 86. 3C ( 1)Tc1-C14-C15 233. RY (37) S 2 0.08 3.90 0.022 86. 3C ( 1)Tc1-C14-C15 237. RY (41) S 2 0.03 4.44 0.014 86. 3C ( 1)Tc1-C14-C15 259. RY ( 2) S 3 0.04 0.99 0.008 86. 3C ( 1)Tc1-C14-C15 261. RY ( 4) S 3 0.06 1.11 0.010 86. 3C ( 1)Tc1-C14-C15 262. RY ( 5) S 3 0.10 1.77 0.017 86. 3C ( 1)Tc1-C14-C15 264. RY ( 7) S 3 0.16 1.85 0.021 86. 3C ( 1)Tc1-C14-C15 266. RY ( 9) S 3 0.03 2.19 0.010 86. 3C ( 1)Tc1-C14-C15 269. RY (12) S 3 0.06 2.11 0.015 86. 3C ( 1)Tc1-C14-C15 271. RY (14) S 3 0.05 2.83 0.015 86. 3C ( 1)Tc1-C14-C15 319. RY ( 1) S 4 0.04 1.08 0.008 86. 3C ( 1)Tc1-C14-C15 322. RY ( 4) S 4 0.05 1.04 0.009 86. 3C ( 1)Tc1-C14-C15 324. RY ( 6) S 4 0.09 2.02 0.017 86. 3C ( 1)Tc1-C14-C15 329. RY (11) S 4 0.03 2.91 0.012 86. 3C ( 1)Tc1-C14-C15 332. RY (14) S 4 0.08 2.40 0.017 86. 3C ( 1)Tc1-C14-C15 380. RY ( 1) S 5 0.03 1.01 0.007 86. 3C ( 1)Tc1-C14-C15 383. RY ( 4) S 5 0.08 1.10 0.011 86. 3C ( 1)Tc1-C14-C15 386. RY ( 7) S 5 0.06 1.84 0.013 86. 3C ( 1)Tc1-C14-C15 389. RY (10) S 5 0.04 2.02 0.012 86. 3C ( 1)Tc1-C14-C15 390. RY (11) S 5 0.03 2.30 0.011 86. 3C ( 1)Tc1-C14-C15 391. RY (12) S 5 0.03 2.11 0.011 86. 3C ( 1)Tc1-C14-C15 393. RY (14) S 5 0.03 3.05 0.011 86. 3C ( 1)Tc1-C14-C15 441. RY ( 1) S 6 0.05 1.22 0.010 86. 3C ( 1)Tc1-C14-C15 442. RY ( 2) S 6 0.74 1.45 0.041 86. 3C ( 1)Tc1-C14-C15 443. RY ( 3) S 6 0.04 1.53 0.010 86. 3C ( 1)Tc1-C14-C15 445. RY ( 5) S 6 3.22 3.24 0.129 86. 3C ( 1)Tc1-C14-C15 446. RY ( 6) S 6 1.32 2.68 0.075 86. 3C ( 1)Tc1-C14-C15 447. RY ( 7) S 6 0.06 2.19 0.015 86. 3C ( 1)Tc1-C14-C15 448. RY ( 8) S 6 4.03 2.96 0.138 86. 3C ( 1)Tc1-C14-C15 450. RY (10) S 6 0.09 2.25 0.018 86. 3C ( 1)Tc1-C14-C15 452. RY (12) S 6 0.16 2.36 0.025 86. 3C ( 1)Tc1-C14-C15 455. RY (15) S 6 0.27 3.45 0.038 86. 3C ( 1)Tc1-C14-C15 457. RY (17) S 6 0.06 2.71 0.017 86. 3C ( 1)Tc1-C14-C15 459. RY (19) S 6 0.29 2.79 0.036 86. 3C ( 1)Tc1-C14-C15 460. RY (20) S 6 0.19 3.44 0.032 86. 3C ( 1)Tc1-C14-C15 470. RY (30) S 6 0.06 5.18 0.021 86. 3C ( 1)Tc1-C14-C15 480. RY (40) S 6 0.09 3.77 0.023 86. 3C ( 1)Tc1-C14-C15 483. RY (43) S 6 0.13 3.17 0.025 from unit 2 to unit 1 45. LP ( 1) S 2 87. LV ( 1)Tc 1 4.81 1.10 0.092 45. LP ( 1) S 2 88. BD*( 1)Tc 1- P 10 0.04 0.55 0.006 45. LP ( 1) S 2 93. BD*( 1) C 7- P 10 0.09 0.66 0.010 45. LP ( 1) S 2 98. BD*( 1) C 8- H 19 0.05 0.82 0.008 45. LP ( 1) S 2 115. 3Cn( 1)Tc1-C12-C13 3.93 0.53 0.058 45. LP ( 1) S 2 116. 3Cn( 1)Tc1-C14-C15 0.06 0.52 0.007 45. LP ( 1) S 2 117. 3C*( 1)Tc1-C12-C13 1.00 0.53 0.029 45. LP ( 1) S 2 118. 3C*( 1)Tc1-C14-C15 0.03 0.52 0.005 45. LP ( 1) S 2 119. RY ( 1)Tc 1 0.10 2.84 0.021 45. LP ( 1) S 2 123. RY ( 5)Tc 1 0.13 2.12 0.021 45. LP ( 1) S 2 124. RY ( 6)Tc 1 0.04 3.50 0.014 45. LP ( 1) S 2 126. RY ( 8)Tc 1 0.18 2.68 0.028 45. LP ( 1) S 2 127. RY ( 9)Tc 1 0.04 2.59 0.013 45. LP ( 1) S 2 134. RY (16)Tc 1 0.05 2.57 0.014 45. LP ( 1) S 2 137. RY (19)Tc 1 0.03 3.31 0.013 45. LP ( 1) S 2 138. RY (20)Tc 1 0.13 5.09 0.032 45. LP ( 1) S 2 141. RY (23)Tc 1 0.17 3.89 0.032 45. LP ( 1) S 2 142. RY (24)Tc 1 0.03 3.81 0.013 45. LP ( 1) S 2 143. RY (25)Tc 1 0.03 2.85 0.011 45. LP ( 1) S 2 164. RY (46)Tc 1 0.03 12.10 0.025 45. LP ( 1) S 2 165. RY (47)Tc 1 0.05 12.37 0.031 45. LP ( 1) S 2 168. RY (50)Tc 1 0.03 10.36 0.022 45. LP ( 1) S 2 169. RY (51)Tc 1 0.04 24.00 0.040 45. LP ( 1) S 2 170. RY (52)Tc 1 0.03 14.41 0.028 45. LP ( 1) S 2 175. RY (57)Tc 1 0.07 11.70 0.035 45. LP ( 1) S 2 195. RY (77)Tc 1 0.05 5.24 0.020 45. LP ( 1) S 2 662. RY ( 5) P 10 0.05 2.36 0.013 45. LP ( 1) S 2 665. RY ( 8) P 10 0.09 2.82 0.020 45. LP ( 1) S 2 674. RY (17) P 10 0.05 3.51 0.017 45. LP ( 1) S 2 675. RY (18) P 10 0.03 2.83 0.011 45. LP ( 1) S 2 676. RY (19) P 10 0.05 5.06 0.019 45. LP ( 1) S 2 678. RY (21) P 10 0.05 4.13 0.019 45. LP ( 1) S 2 719. RY ( 1) C 11 0.07 2.59 0.018 45. LP ( 1) S 2 773. RY ( 3) C 12 0.05 3.07 0.015 45. LP ( 1) S 2 875. RY ( 1) C 14 0.04 2.05 0.012 45. LP ( 1) S 2 929. RY ( 3) C 15 0.05 3.08 0.015 46. LP ( 2) S 2 87. LV ( 1)Tc 1 2.55 0.85 0.059 46. LP ( 2) S 2 88. BD*( 1)Tc 1- P 10 0.03 0.30 0.004 46. LP ( 2) S 2 93. BD*( 1) C 7- P 10 0.03 0.42 0.004 46. LP ( 2) S 2 97. BD*( 1) C 8- P 10 0.07 0.42 0.007 46. LP ( 2) S 2 98. BD*( 1) C 8- H 19 0.10 0.57 0.010 46. LP ( 2) S 2 106. BD*( 1) C 11- C 15 0.03 0.69 0.005 46. LP ( 2) S 2 114. BD*( 1) C 15- H 28 0.03 0.63 0.005 46. LP ( 2) S 2 115. 3Cn( 1)Tc1-C12-C13 14.65 0.28 0.081 46. LP ( 2) S 2 116. 3Cn( 1)Tc1-C14-C15 1.65 0.27 0.027 46. LP ( 2) S 2 117. 3C*( 1)Tc1-C12-C13 6.88 0.29 0.056 46. LP ( 2) S 2 118. 3C*( 1)Tc1-C14-C15 0.30 0.28 0.011 46. LP ( 2) S 2 119. RY ( 1)Tc 1 0.14 2.59 0.024 46. LP ( 2) S 2 120. RY ( 2)Tc 1 1.54 2.81 0.083 46. LP ( 2) S 2 123. RY ( 5)Tc 1 0.22 1.87 0.026 46. LP ( 2) S 2 124. RY ( 6)Tc 1 0.55 3.25 0.053 46. LP ( 2) S 2 125. RY ( 7)Tc 1 0.06 2.99 0.016 46. LP ( 2) S 2 126. RY ( 8)Tc 1 1.56 2.43 0.078 46. LP ( 2) S 2 127. RY ( 9)Tc 1 0.18 2.35 0.026 46. LP ( 2) S 2 129. RY (11)Tc 1 0.29 3.75 0.042 46. LP ( 2) S 2 130. RY (12)Tc 1 0.28 3.55 0.040 46. LP ( 2) S 2 131. RY (13)Tc 1 0.48 5.98 0.068 46. LP ( 2) S 2 132. RY (14)Tc 1 0.75 5.41 0.080 46. LP ( 2) S 2 134. RY (16)Tc 1 0.06 2.32 0.015 46. LP ( 2) S 2 137. RY (19)Tc 1 0.08 3.06 0.019 46. LP ( 2) S 2 138. RY (20)Tc 1 1.07 4.85 0.091 46. LP ( 2) S 2 139. RY (21)Tc 1 0.26 3.23 0.037 46. LP ( 2) S 2 141. RY (23)Tc 1 0.35 3.65 0.045 46. LP ( 2) S 2 144. RY (26)Tc 1 0.06 2.84 0.016 46. LP ( 2) S 2 145. RY (27)Tc 1 0.03 2.93 0.012 46. LP ( 2) S 2 146. RY (28)Tc 1 0.18 4.22 0.034 46. LP ( 2) S 2 147. RY (29)Tc 1 0.09 3.55 0.022 46. LP ( 2) S 2 149. RY (31)Tc 1 0.03 3.84 0.014 46. LP ( 2) S 2 151. RY (33)Tc 1 0.23 4.69 0.041 46. LP ( 2) S 2 152. RY (34)Tc 1 0.11 5.35 0.031 46. LP ( 2) S 2 156. RY (38)Tc 1 0.05 3.61 0.017 46. LP ( 2) S 2 161. RY (43)Tc 1 0.12 4.00 0.028 46. LP ( 2) S 2 163. RY (45)Tc 1 0.06 5.40 0.023 46. LP ( 2) S 2 164. RY (46)Tc 1 0.07 11.85 0.037 46. LP ( 2) S 2 165. RY (47)Tc 1 0.03 12.13 0.025 46. LP ( 2) S 2 166. RY (48)Tc 1 0.03 8.24 0.020 46. LP ( 2) S 2 167. RY (49)Tc 1 0.09 8.66 0.035 46. LP ( 2) S 2 168. RY (50)Tc 1 0.06 10.11 0.030 46. LP ( 2) S 2 169. RY (51)Tc 1 0.11 23.75 0.065 46. LP ( 2) S 2 170. RY (52)Tc 1 0.07 14.17 0.038 46. LP ( 2) S 2 171. RY (53)Tc 1 0.05 6.95 0.022 46. LP ( 2) S 2 173. RY (55)Tc 1 0.03 5.69 0.018 46. LP ( 2) S 2 174. RY (56)Tc 1 0.05 7.99 0.025 46. LP ( 2) S 2 177. RY (59)Tc 1 0.05 5.34 0.020 46. LP ( 2) S 2 184. RY (66)Tc 1 0.09 4.84 0.026 46. LP ( 2) S 2 188. RY (70)Tc 1 0.04 4.11 0.015 46. LP ( 2) S 2 189. RY (71)Tc 1 0.07 5.50 0.024 46. LP ( 2) S 2 191. RY (73)Tc 1 0.14 4.61 0.033 46. LP ( 2) S 2 192. RY (74)Tc 1 0.44 5.54 0.063 46. LP ( 2) S 2 193. RY (75)Tc 1 0.09 4.20 0.025 46. LP ( 2) S 2 195. RY (77)Tc 1 0.07 4.99 0.024 46. LP ( 2) S 2 554. RY ( 1) C 8 0.04 2.62 0.013 46. LP ( 2) S 2 559. RY ( 6) C 8 0.03 1.65 0.009 46. LP ( 2) S 2 606. RY ( 1) C 9 0.04 2.99 0.013 46. LP ( 2) S 2 658. RY ( 1) P 10 0.13 1.82 0.019 46. LP ( 2) S 2 662. RY ( 5) P 10 0.38 2.12 0.036 46. LP ( 2) S 2 665. RY ( 8) P 10 0.33 2.57 0.037 46. LP ( 2) S 2 666. RY ( 9) P 10 0.04 2.37 0.013 46. LP ( 2) S 2 667. RY (10) P 10 0.07 2.65 0.018 46. LP ( 2) S 2 668. RY (11) P 10 0.05 3.10 0.015 46. LP ( 2) S 2 669. RY (12) P 10 0.10 3.09 0.022 46. LP ( 2) S 2 671. RY (14) P 10 0.13 3.62 0.027 46. LP ( 2) S 2 674. RY (17) P 10 0.49 3.26 0.050 46. LP ( 2) S 2 675. RY (18) P 10 0.29 2.58 0.035 46. LP ( 2) S 2 676. RY (19) P 10 0.49 4.81 0.061 46. LP ( 2) S 2 678. RY (21) P 10 0.20 3.88 0.035 46. LP ( 2) S 2 688. RY (31) P 10 0.03 4.45 0.015 46. LP ( 2) S 2 719. RY ( 1) C 11 0.25 2.34 0.030 46. LP ( 2) S 2 721. RY ( 3) C 11 0.07 2.35 0.016 46. LP ( 2) S 2 722. RY ( 4) C 11 0.04 1.61 0.010 46. LP ( 2) S 2 723. RY ( 5) C 11 0.03 2.83 0.012 46. LP ( 2) S 2 728. RY (10) C 11 0.11 2.81 0.022 46. LP ( 2) S 2 730. RY (12) C 11 0.04 3.92 0.016 46. LP ( 2) S 2 771. RY ( 1) C 12 0.16 1.70 0.021 46. LP ( 2) S 2 772. RY ( 2) C 12 0.04 1.75 0.011 46. LP ( 2) S 2 773. RY ( 3) C 12 0.25 2.82 0.034 46. LP ( 2) S 2 774. RY ( 4) C 12 0.04 2.80 0.013 46. LP ( 2) S 2 775. RY ( 5) C 12 0.03 2.42 0.010 46. LP ( 2) S 2 779. RY ( 9) C 12 0.04 2.94 0.014 46. LP ( 2) S 2 781. RY (11) C 12 0.13 3.20 0.026 46. LP ( 2) S 2 823. RY ( 1) C 13 0.26 1.74 0.027 46. LP ( 2) S 2 824. RY ( 2) C 13 0.03 1.80 0.010 46. LP ( 2) S 2 825. RY ( 3) C 13 0.17 2.53 0.026 46. LP ( 2) S 2 826. RY ( 4) C 13 0.08 1.88 0.016 46. LP ( 2) S 2 828. RY ( 6) C 13 0.05 3.42 0.016 46. LP ( 2) S 2 830. RY ( 8) C 13 0.04 3.22 0.014 46. LP ( 2) S 2 833. RY (11) C 13 0.04 3.49 0.014 46. LP ( 2) S 2 836. RY (14) C 13 0.06 3.69 0.019 46. LP ( 2) S 2 875. RY ( 1) C 14 0.13 1.80 0.019 46. LP ( 2) S 2 876. RY ( 2) C 14 0.04 1.81 0.010 46. LP ( 2) S 2 877. RY ( 3) C 14 0.03 2.48 0.011 46. LP ( 2) S 2 885. RY (11) C 14 0.03 3.25 0.012 46. LP ( 2) S 2 889. RY (15) C 14 0.03 4.10 0.013 46. LP ( 2) S 2 905. RY (31) C 14 0.03 5.19 0.015 46. LP ( 2) S 2 927. RY ( 1) C 15 0.13 1.77 0.019 46. LP ( 2) S 2 929. RY ( 3) C 15 0.17 2.83 0.028 46. LP ( 2) S 2 937. RY (11) C 15 0.04 3.28 0.015 46. LP ( 2) S 2 979. RY ( 1) H 16 0.03 1.55 0.008 46. LP ( 2) S 2 1066. RY ( 1) H 19 0.05 1.39 0.011 46. LP ( 2) S 2 1127. RY ( 4) H 21 0.03 1.56 0.008 46. LP ( 2) S 2 1156. RY ( 4) H 22 0.03 1.64 0.008 47. LP ( 3) S 2 87. LV ( 1)Tc 1 64.51 0.86 0.297 47. LP ( 3) S 2 88. BD*( 1)Tc 1- P 10 0.67 0.31 0.018 47. LP ( 3) S 2 93. BD*( 1) C 7- P 10 0.25 0.42 0.013 47. LP ( 3) S 2 94. BD*( 1) C 7- H 16 0.06 0.58 0.007 47. LP ( 3) S 2 97. BD*( 1) C 8- P 10 0.61 0.43 0.020 47. LP ( 3) S 2 101. BD*( 1) C 9- P 10 0.04 0.42 0.005 47. LP ( 3) S 2 110. BD*( 1) C 13- C 14 0.04 0.65 0.006 47. LP ( 3) S 2 114. BD*( 1) C 15- H 28 0.04 0.63 0.006 47. LP ( 3) S 2 115. 3Cn( 1)Tc1-C12-C13 53.10 0.29 0.156 47. LP ( 3) S 2 116. 3Cn( 1)Tc1-C14-C15 0.98 0.28 0.021 47. LP ( 3) S 2 117. 3C*( 1)Tc1-C12-C13 17.92 0.29 0.091 47. LP ( 3) S 2 118. 3C*( 1)Tc1-C14-C15 1.20 0.28 0.023 47. LP ( 3) S 2 119. RY ( 1)Tc 1 4.55 2.59 0.137 47. LP ( 3) S 2 120. RY ( 2)Tc 1 14.13 2.82 0.252 47. LP ( 3) S 2 121. RY ( 3)Tc 1 0.03 2.92 0.011 47. LP ( 3) S 2 122. RY ( 4)Tc 1 0.45 1.51 0.033 47. LP ( 3) S 2 123. RY ( 5)Tc 1 0.38 1.88 0.034 47. LP ( 3) S 2 124. RY ( 6)Tc 1 5.44 3.26 0.168 47. LP ( 3) S 2 125. RY ( 7)Tc 1 4.61 2.99 0.148 47. LP ( 3) S 2 126. RY ( 8)Tc 1 11.79 2.44 0.214 47. LP ( 3) S 2 127. RY ( 9)Tc 1 2.94 2.35 0.105 47. LP ( 3) S 2 128. RY (10)Tc 1 0.88 2.56 0.060 47. LP ( 3) S 2 129. RY (11)Tc 1 2.80 3.75 0.130 47. LP ( 3) S 2 130. RY (12)Tc 1 7.80 3.55 0.210 47. LP ( 3) S 2 131. RY (13)Tc 1 4.31 5.98 0.203 47. LP ( 3) S 2 132. RY (14)Tc 1 9.81 5.42 0.291 47. LP ( 3) S 2 133. RY (15)Tc 1 0.09 2.73 0.019 47. LP ( 3) S 2 134. RY (16)Tc 1 0.52 2.33 0.044 47. LP ( 3) S 2 135. RY (17)Tc 1 0.51 2.76 0.047 47. LP ( 3) S 2 137. RY (19)Tc 1 0.19 3.06 0.030 47. LP ( 3) S 2 138. RY (20)Tc 1 8.66 4.85 0.259 47. LP ( 3) S 2 139. RY (21)Tc 1 1.17 3.23 0.078 47. LP ( 3) S 2 140. RY (22)Tc 1 0.23 3.21 0.034 47. LP ( 3) S 2 141. RY (23)Tc 1 4.11 3.65 0.155 47. LP ( 3) S 2 142. RY (24)Tc 1 0.04 3.56 0.014 47. LP ( 3) S 2 143. RY (25)Tc 1 0.05 2.60 0.014 47. LP ( 3) S 2 144. RY (26)Tc 1 0.18 2.85 0.029 47. LP ( 3) S 2 145. RY (27)Tc 1 0.82 2.94 0.062 47. LP ( 3) S 2 146. RY (28)Tc 1 1.90 4.23 0.113 47. LP ( 3) S 2 147. RY (29)Tc 1 0.76 3.56 0.065 47. LP ( 3) S 2 149. RY (31)Tc 1 0.28 3.85 0.041 47. LP ( 3) S 2 150. RY (32)Tc 1 0.08 4.17 0.023 47. LP ( 3) S 2 151. RY (33)Tc 1 2.22 4.69 0.129 47. LP ( 3) S 2 152. RY (34)Tc 1 1.83 5.36 0.125 47. LP ( 3) S 2 154. RY (36)Tc 1 0.40 3.99 0.050 47. LP ( 3) S 2 155. RY (37)Tc 1 0.09 4.51 0.026 47. LP ( 3) S 2 156. RY (38)Tc 1 1.34 3.61 0.088 47. LP ( 3) S 2 157. RY (39)Tc 1 0.15 5.58 0.037 47. LP ( 3) S 2 158. RY (40)Tc 1 0.15 6.07 0.038 47. LP ( 3) S 2 161. RY (43)Tc 1 1.78 4.00 0.106 47. LP ( 3) S 2 162. RY (44)Tc 1 0.20 4.75 0.039 47. LP ( 3) S 2 163. RY (45)Tc 1 0.64 5.40 0.074 47. LP ( 3) S 2 164. RY (46)Tc 1 0.89 11.86 0.129 47. LP ( 3) S 2 165. RY (47)Tc 1 0.40 12.13 0.088 47. LP ( 3) S 2 166. RY (48)Tc 1 0.48 8.25 0.079 47. LP ( 3) S 2 167. RY (49)Tc 1 1.19 8.66 0.128 47. LP ( 3) S 2 168. RY (50)Tc 1 0.88 10.12 0.119 47. LP ( 3) S 2 169. RY (51)Tc 1 1.65 23.76 0.250 47. LP ( 3) S 2 170. RY (52)Tc 1 0.87 14.17 0.140 47. LP ( 3) S 2 171. RY (53)Tc 1 0.61 6.95 0.082 47. LP ( 3) S 2 173. RY (55)Tc 1 0.25 5.70 0.048 47. LP ( 3) S 2 174. RY (56)Tc 1 0.64 8.00 0.091 47. LP ( 3) S 2 176. RY (58)Tc 1 0.05 4.57 0.020 47. LP ( 3) S 2 177. RY (59)Tc 1 0.63 5.34 0.073 47. LP ( 3) S 2 178. RY (60)Tc 1 0.08 5.34 0.026 47. LP ( 3) S 2 179. RY (61)Tc 1 0.03 4.04 0.013 47. LP ( 3) S 2 180. RY (62)Tc 1 0.03 3.51 0.014 47. LP ( 3) S 2 181. RY (63)Tc 1 0.07 4.60 0.022 47. LP ( 3) S 2 183. RY (65)Tc 1 0.13 5.73 0.034 47. LP ( 3) S 2 184. RY (66)Tc 1 0.48 4.84 0.061 47. LP ( 3) S 2 185. RY (67)Tc 1 0.77 4.35 0.073 47. LP ( 3) S 2 186. RY (68)Tc 1 0.06 5.20 0.022 47. LP ( 3) S 2 187. RY (69)Tc 1 0.17 4.65 0.035 47. LP ( 3) S 2 188. RY (70)Tc 1 0.43 4.11 0.053 47. LP ( 3) S 2 189. RY (71)Tc 1 0.77 5.51 0.082 47. LP ( 3) S 2 191. RY (73)Tc 1 1.12 4.61 0.091 47. LP ( 3) S 2 192. RY (74)Tc 1 4.43 5.55 0.198 47. LP ( 3) S 2 193. RY (75)Tc 1 1.58 4.21 0.103 47. LP ( 3) S 2 194. RY (76)Tc 1 0.15 3.64 0.030 47. LP ( 3) S 2 195. RY (77)Tc 1 0.30 5.00 0.049 47. LP ( 3) S 2 502. RY ( 1) C 7 0.28 2.90 0.036 47. LP ( 3) S 2 503. RY ( 2) C 7 0.04 2.20 0.011 47. LP ( 3) S 2 504. RY ( 3) C 7 0.03 1.58 0.009 47. LP ( 3) S 2 505. RY ( 4) C 7 0.05 1.73 0.012 47. LP ( 3) S 2 506. RY ( 5) C 7 0.03 1.55 0.009 47. LP ( 3) S 2 507. RY ( 6) C 7 0.03 1.81 0.009 47. LP ( 3) S 2 509. RY ( 8) C 7 0.16 1.53 0.020 47. LP ( 3) S 2 510. RY ( 9) C 7 0.03 2.76 0.012 47. LP ( 3) S 2 514. RY (13) C 7 0.17 2.69 0.027 47. LP ( 3) S 2 538. RY (37) C 7 0.06 4.87 0.022 47. LP ( 3) S 2 541. RY (40) C 7 0.11 3.25 0.023 47. LP ( 3) S 2 542. RY (41) C 7 0.04 3.18 0.015 47. LP ( 3) S 2 554. RY ( 1) C 8 0.32 2.62 0.036 47. LP ( 3) S 2 557. RY ( 4) C 8 0.03 1.69 0.009 47. LP ( 3) S 2 559. RY ( 6) C 8 0.06 1.65 0.013 47. LP ( 3) S 2 561. RY ( 8) C 8 0.05 1.70 0.012 47. LP ( 3) S 2 562. RY ( 9) C 8 0.10 2.49 0.019 47. LP ( 3) S 2 566. RY (13) C 8 0.04 3.22 0.015 47. LP ( 3) S 2 567. RY (14) C 8 0.16 3.75 0.031 47. LP ( 3) S 2 590. RY (37) C 8 0.03 3.84 0.013 47. LP ( 3) S 2 592. RY (39) C 8 0.04 4.28 0.017 47. LP ( 3) S 2 593. RY (40) C 8 0.03 2.87 0.013 47. LP ( 3) S 2 606. RY ( 1) C 9 0.39 3.00 0.043 47. LP ( 3) S 2 607. RY ( 2) C 9 0.03 2.15 0.010 47. LP ( 3) S 2 613. RY ( 8) C 9 0.15 1.30 0.017 47. LP ( 3) S 2 614. RY ( 9) C 9 0.04 2.26 0.012 47. LP ( 3) S 2 617. RY (12) C 9 0.09 2.55 0.019 47. LP ( 3) S 2 618. RY (13) C 9 0.03 3.49 0.013 47. LP ( 3) S 2 619. RY (14) C 9 0.13 2.99 0.025 47. LP ( 3) S 2 620. RY (15) C 9 0.21 4.28 0.038 47. LP ( 3) S 2 646. RY (41) C 9 0.05 3.39 0.017 47. LP ( 3) S 2 658. RY ( 1) P 10 1.35 1.83 0.063 47. LP ( 3) S 2 660. RY ( 3) P 10 0.14 1.58 0.019 47. LP ( 3) S 2 662. RY ( 5) P 10 4.89 2.12 0.129 47. LP ( 3) S 2 663. RY ( 6) P 10 0.06 1.56 0.012 47. LP ( 3) S 2 664. RY ( 7) P 10 0.03 1.47 0.008 47. LP ( 3) S 2 665. RY ( 8) P 10 4.42 2.57 0.135 47. LP ( 3) S 2 666. RY ( 9) P 10 0.77 2.37 0.054 47. LP ( 3) S 2 667. RY (10) P 10 0.97 2.66 0.064 47. LP ( 3) S 2 668. RY (11) P 10 1.00 3.10 0.070 47. LP ( 3) S 2 669. RY (12) P 10 1.06 3.09 0.072 47. LP ( 3) S 2 670. RY (13) P 10 0.04 2.98 0.014 47. LP ( 3) S 2 671. RY (14) P 10 1.38 3.62 0.089 47. LP ( 3) S 2 672. RY (15) P 10 0.03 2.98 0.011 47. LP ( 3) S 2 673. RY (16) P 10 0.10 3.00 0.022 47. LP ( 3) S 2 674. RY (17) P 10 4.10 3.27 0.146 47. LP ( 3) S 2 675. RY (18) P 10 2.68 2.59 0.105 47. LP ( 3) S 2 676. RY (19) P 10 5.73 4.81 0.210 47. LP ( 3) S 2 677. RY (20) P 10 0.05 4.73 0.020 47. LP ( 3) S 2 678. RY (21) P 10 2.17 3.88 0.116 47. LP ( 3) S 2 679. RY (22) P 10 0.03 4.41 0.014 47. LP ( 3) S 2 680. RY (23) P 10 0.33 4.43 0.048 47. LP ( 3) S 2 682. RY (25) P 10 0.04 5.17 0.018 47. LP ( 3) S 2 684. RY (27) P 10 0.10 5.47 0.029 47. LP ( 3) S 2 685. RY (28) P 10 0.16 5.20 0.036 47. LP ( 3) S 2 688. RY (31) P 10 0.24 4.45 0.042 47. LP ( 3) S 2 690. RY (33) P 10 0.08 4.72 0.025 47. LP ( 3) S 2 691. RY (34) P 10 0.03 5.03 0.017 47. LP ( 3) S 2 692. RY (35) P 10 0.11 5.02 0.029 47. LP ( 3) S 2 693. RY (36) P 10 0.20 4.77 0.039 47. LP ( 3) S 2 694. RY (37) P 10 0.03 4.64 0.015 47. LP ( 3) S 2 695. RY (38) P 10 0.07 4.37 0.023 47. LP ( 3) S 2 697. RY (40) P 10 0.15 4.17 0.032 47. LP ( 3) S 2 718. RY (61) P 10 0.03 5.37 0.015 47. LP ( 3) S 2 719. RY ( 1) C 11 3.38 2.34 0.112 47. LP ( 3) S 2 721. RY ( 3) C 11 0.91 2.36 0.059 47. LP ( 3) S 2 722. RY ( 4) C 11 0.31 1.61 0.028 47. LP ( 3) S 2 723. RY ( 5) C 11 0.32 2.83 0.038 47. LP ( 3) S 2 728. RY (10) C 11 1.11 2.81 0.070 47. LP ( 3) S 2 729. RY (11) C 11 0.09 2.83 0.020 47. LP ( 3) S 2 730. RY (12) C 11 0.36 3.93 0.047 47. LP ( 3) S 2 735. RY (17) C 11 0.11 4.92 0.029 47. LP ( 3) S 2 736. RY (18) C 11 0.04 5.08 0.017 47. LP ( 3) S 2 745. RY (27) C 11 0.10 4.49 0.027 47. LP ( 3) S 2 750. RY (32) C 11 0.03 4.56 0.016 47. LP ( 3) S 2 751. RY (33) C 11 0.05 4.84 0.019 47. LP ( 3) S 2 753. RY (35) C 11 0.04 5.09 0.017 47. LP ( 3) S 2 771. RY ( 1) C 12 1.66 1.70 0.067 47. LP ( 3) S 2 772. RY ( 2) C 12 0.58 1.75 0.040 47. LP ( 3) S 2 773. RY ( 3) C 12 2.97 2.83 0.116 47. LP ( 3) S 2 774. RY ( 4) C 12 0.25 2.80 0.033 47. LP ( 3) S 2 775. RY ( 5) C 12 0.16 2.43 0.025 47. LP ( 3) S 2 779. RY ( 9) C 12 0.34 2.94 0.040 47. LP ( 3) S 2 780. RY (10) C 12 0.21 2.43 0.029 47. LP ( 3) S 2 781. RY (11) C 12 1.05 3.20 0.073 47. LP ( 3) S 2 783. RY (13) C 12 0.06 4.50 0.021 47. LP ( 3) S 2 785. RY (15) C 12 0.07 4.66 0.022 47. LP ( 3) S 2 786. RY (16) C 12 0.08 3.76 0.022 47. LP ( 3) S 2 787. RY (17) C 12 0.04 3.28 0.014 47. LP ( 3) S 2 788. RY (18) C 12 0.21 5.66 0.044 47. LP ( 3) S 2 797. RY (27) C 12 0.03 5.38 0.016 47. LP ( 3) S 2 801. RY (31) C 12 0.04 5.02 0.019 47. LP ( 3) S 2 803. RY (33) C 12 0.05 5.52 0.022 47. LP ( 3) S 2 804. RY (34) C 12 0.04 5.15 0.019 47. LP ( 3) S 2 823. RY ( 1) C 13 2.29 1.74 0.080 47. LP ( 3) S 2 824. RY ( 2) C 13 0.44 1.80 0.035 47. LP ( 3) S 2 825. RY ( 3) C 13 1.17 2.53 0.069 47. LP ( 3) S 2 826. RY ( 4) C 13 0.14 1.88 0.021 47. LP ( 3) S 2 827. RY ( 5) C 13 0.03 3.03 0.012 47. LP ( 3) S 2 828. RY ( 6) C 13 0.40 3.42 0.046 47. LP ( 3) S 2 830. RY ( 8) C 13 0.41 3.22 0.046 47. LP ( 3) S 2 831. RY ( 9) C 13 0.06 2.90 0.017 47. LP ( 3) S 2 832. RY (10) C 13 0.03 3.02 0.012 47. LP ( 3) S 2 833. RY (11) C 13 0.29 3.49 0.040 47. LP ( 3) S 2 834. RY (12) C 13 0.05 3.67 0.018 47. LP ( 3) S 2 836. RY (14) C 13 0.31 3.69 0.042 47. LP ( 3) S 2 837. RY (15) C 13 0.08 4.04 0.022 47. LP ( 3) S 2 838. RY (16) C 13 0.03 3.69 0.013 47. LP ( 3) S 2 840. RY (18) C 13 0.06 3.56 0.018 47. LP ( 3) S 2 855. RY (33) C 13 0.16 4.96 0.035 47. LP ( 3) S 2 858. RY (36) C 13 0.11 4.84 0.029 47. LP ( 3) S 2 875. RY ( 1) C 14 1.17 1.81 0.058 47. LP ( 3) S 2 876. RY ( 2) C 14 0.16 1.81 0.021 47. LP ( 3) S 2 877. RY ( 3) C 14 0.62 2.49 0.050 47. LP ( 3) S 2 878. RY ( 4) C 14 0.07 1.83 0.014 47. LP ( 3) S 2 880. RY ( 6) C 14 0.29 3.57 0.041 47. LP ( 3) S 2 882. RY ( 8) C 14 0.29 3.10 0.038 47. LP ( 3) S 2 884. RY (10) C 14 0.13 3.11 0.025 47. LP ( 3) S 2 885. RY (11) C 14 0.30 3.25 0.040 47. LP ( 3) S 2 886. RY (12) C 14 0.08 3.84 0.022 47. LP ( 3) S 2 889. RY (15) C 14 0.52 4.11 0.058 47. LP ( 3) S 2 898. RY (24) C 14 0.03 5.42 0.015 47. LP ( 3) S 2 899. RY (25) C 14 0.03 5.67 0.016 47. LP ( 3) S 2 904. RY (30) C 14 0.08 5.78 0.027 47. LP ( 3) S 2 905. RY (31) C 14 0.07 5.19 0.023 47. LP ( 3) S 2 907. RY (33) C 14 0.03 5.72 0.017 47. LP ( 3) S 2 908. RY (34) C 14 0.03 4.73 0.015 47. LP ( 3) S 2 909. RY (35) C 14 0.04 4.02 0.016 47. LP ( 3) S 2 910. RY (36) C 14 0.06 3.64 0.019 47. LP ( 3) S 2 927. RY ( 1) C 15 1.74 1.78 0.070 47. LP ( 3) S 2 928. RY ( 2) C 15 0.09 1.74 0.016 47. LP ( 3) S 2 929. RY ( 3) C 15 1.99 2.83 0.095 47. LP ( 3) S 2 930. RY ( 4) C 15 0.11 2.99 0.023 47. LP ( 3) S 2 931. RY ( 5) C 15 0.09 2.26 0.018 47. LP ( 3) S 2 935. RY ( 9) C 15 0.81 2.71 0.059 47. LP ( 3) S 2 936. RY (10) C 15 0.09 2.42 0.019 47. LP ( 3) S 2 937. RY (11) C 15 0.83 3.29 0.066 47. LP ( 3) S 2 938. RY (12) C 15 0.14 4.42 0.032 47. LP ( 3) S 2 942. RY (16) C 15 0.16 3.53 0.030 47. LP ( 3) S 2 943. RY (17) C 15 0.20 4.66 0.039 47. LP ( 3) S 2 944. RY (18) C 15 0.07 4.18 0.022 47. LP ( 3) S 2 960. RY (34) C 15 0.04 5.46 0.020 47. LP ( 3) S 2 978. RY (52) C 15 0.03 6.85 0.019 47. LP ( 3) S 2 979. RY ( 1) H 16 0.26 1.56 0.025 47. LP ( 3) S 2 982. RY ( 4) H 16 0.24 1.80 0.026 47. LP ( 3) S 2 1037. RY ( 1) H 18 0.03 2.94 0.012 47. LP ( 3) S 2 1040. RY ( 4) H 18 0.10 1.96 0.017 47. LP ( 3) S 2 1066. RY ( 1) H 19 0.38 1.39 0.029 47. LP ( 3) S 2 1069. RY ( 4) H 19 0.19 1.89 0.024 47. LP ( 3) S 2 1098. RY ( 4) H 20 0.05 1.48 0.011 47. LP ( 3) S 2 1124. RY ( 1) H 21 0.04 2.92 0.014 47. LP ( 3) S 2 1127. RY ( 4) H 21 0.28 1.56 0.026 47. LP ( 3) S 2 1153. RY ( 1) H 22 0.20 1.69 0.023 47. LP ( 3) S 2 1156. RY ( 4) H 22 0.24 1.65 0.025 47. LP ( 3) S 2 1161. RY ( 9) H 22 0.03 4.04 0.014 47. LP ( 3) S 2 1243. RY ( 4) H 25 0.12 1.95 0.019 47. LP ( 3) S 2 1244. RY ( 5) H 25 0.07 3.47 0.020 47. LP ( 3) S 2 1270. RY ( 2) H 26 0.03 3.13 0.012 47. LP ( 3) S 2 1272. RY ( 4) H 26 0.08 3.26 0.020 47. LP ( 3) S 2 1273. RY ( 5) H 26 0.06 2.44 0.015 47. LP ( 3) S 2 1298. RY ( 1) H 27 0.09 1.55 0.015 47. LP ( 3) S 2 1299. RY ( 2) H 27 0.06 2.83 0.017 47. LP ( 3) S 2 1300. RY ( 3) H 27 0.03 3.58 0.013 47. LP ( 3) S 2 1302. RY ( 5) H 27 0.05 2.18 0.013 47. LP ( 3) S 2 1309. RY (12) H 27 0.04 4.81 0.017 47. LP ( 3) S 2 1330. RY ( 4) H 28 0.11 3.25 0.024 47. LP ( 3) S 2 1331. RY ( 5) H 28 0.05 2.38 0.014 47. LP ( 3) S 2 1340. RY (14) H 28 0.04 7.13 0.020 47. LP ( 3) S 2 1356. RY ( 1) H 29 0.03 1.65 0.009 47. LP ( 3) S 2 1358. RY ( 3) H 29 0.04 3.29 0.015 47. LP ( 3) S 2 1359. RY ( 4) H 29 0.04 3.66 0.016 47. LP ( 3) S 2 1378. RY (23) H 29 0.03 4.60 0.014 48. LP ( 1) S 3 87. LV ( 1)Tc 1 0.25 1.15 0.021 48. LP ( 1) S 3 88. BD*( 1)Tc 1- P 10 0.14 0.60 0.012 48. LP ( 1) S 3 105. BD*( 1) C 11- C 12 0.03 0.98 0.006 48. LP ( 1) S 3 115. 3Cn( 1)Tc1-C12-C13 0.19 0.58 0.013 48. LP ( 1) S 3 117. 3C*( 1)Tc1-C12-C13 0.07 0.58 0.008 48. LP ( 1) S 3 119. RY ( 1)Tc 1 0.03 2.89 0.012 48. LP ( 1) S 3 120. RY ( 2)Tc 1 0.03 3.11 0.013 48. LP ( 1) S 3 121. RY ( 3)Tc 1 0.03 3.21 0.013 48. LP ( 1) S 3 138. RY (20)Tc 1 0.06 5.14 0.023 49. LP ( 2) S 3 87. LV ( 1)Tc 1 0.20 0.88 0.017 49. LP ( 2) S 3 88. BD*( 1)Tc 1- P 10 0.90 0.33 0.022 49. LP ( 2) S 3 97. BD*( 1) C 8- P 10 0.04 0.44 0.005 49. LP ( 2) S 3 105. BD*( 1) C 11- C 12 0.08 0.71 0.009 49. LP ( 2) S 3 112. BD*( 1) C 14- C 15 0.06 0.69 0.008 49. LP ( 2) S 3 115. 3Cn( 1)Tc1-C12-C13 0.19 0.30 0.010 49. LP ( 2) S 3 116. 3Cn( 1)Tc1-C14-C15 0.19 0.29 0.009 49. LP ( 2) S 3 117. 3C*( 1)Tc1-C12-C13 0.19 0.31 0.010 49. LP ( 2) S 3 118. 3C*( 1)Tc1-C14-C15 0.20 0.30 0.010 49. LP ( 2) S 3 120. RY ( 2)Tc 1 0.06 2.84 0.017 49. LP ( 2) S 3 122. RY ( 4)Tc 1 0.07 1.52 0.013 49. LP ( 2) S 3 125. RY ( 7)Tc 1 0.03 3.01 0.013 49. LP ( 2) S 3 131. RY (13)Tc 1 0.04 6.00 0.018 49. LP ( 2) S 3 662. RY ( 5) P 10 0.05 2.14 0.013 49. LP ( 2) S 3 665. RY ( 8) P 10 0.03 2.59 0.011 49. LP ( 2) S 3 728. RY (10) C 11 0.03 2.83 0.011 49. LP ( 2) S 3 1240. RY ( 1) H 25 0.05 1.82 0.012 51. LP ( 2) S 4 87. LV ( 1)Tc 1 0.15 0.89 0.014 51. LP ( 2) S 4 88. BD*( 1)Tc 1- P 10 0.04 0.34 0.005 51. LP ( 2) S 4 115. 3Cn( 1)Tc1-C12-C13 0.21 0.32 0.010 51. LP ( 2) S 4 116. 3Cn( 1)Tc1-C14-C15 0.21 0.31 0.010 51. LP ( 2) S 4 117. 3C*( 1)Tc1-C12-C13 0.17 0.32 0.009 51. LP ( 2) S 4 118. 3C*( 1)Tc1-C14-C15 0.14 0.31 0.008 51. LP ( 2) S 4 131. RY (13)Tc 1 0.03 6.01 0.016 51. LP ( 2) S 4 132. RY (14)Tc 1 0.03 5.45 0.015 51. LP ( 2) S 4 138. RY (20)Tc 1 0.03 4.88 0.016 51. LP ( 2) S 4 665. RY ( 8) P 10 0.03 2.60 0.011 51. LP ( 2) S 4 676. RY (19) P 10 0.03 4.84 0.014 52. LP ( 1) S 5 87. LV ( 1)Tc 1 0.22 1.15 0.020 52. LP ( 1) S 5 88. BD*( 1)Tc 1- P 10 0.11 0.60 0.010 52. LP ( 1) S 5 101. BD*( 1) C 9- P 10 0.03 0.71 0.006 52. LP ( 1) S 5 106. BD*( 1) C 11- C 15 0.03 0.98 0.007 52. LP ( 1) S 5 116. 3Cn( 1)Tc1-C14-C15 0.19 0.57 0.013 52. LP ( 1) S 5 118. 3C*( 1)Tc1-C14-C15 0.06 0.57 0.008 52. LP ( 1) S 5 119. RY ( 1)Tc 1 0.03 2.89 0.011 52. LP ( 1) S 5 120. RY ( 2)Tc 1 0.04 3.11 0.015 52. LP ( 1) S 5 125. RY ( 7)Tc 1 0.03 3.28 0.013 52. LP ( 1) S 5 138. RY (20)Tc 1 0.03 5.14 0.017 53. LP ( 2) S 5 87. LV ( 1)Tc 1 0.18 0.88 0.016 53. LP ( 2) S 5 88. BD*( 1)Tc 1- P 10 0.78 0.33 0.020 53. LP ( 2) S 5 106. BD*( 1) C 11- C 15 0.08 0.71 0.009 53. LP ( 2) S 5 108. BD*( 1) C 12- C 13 0.04 0.69 0.007 53. LP ( 2) S 5 115. 3Cn( 1)Tc1-C12-C13 0.22 0.31 0.010 53. LP ( 2) S 5 116. 3Cn( 1)Tc1-C14-C15 0.17 0.29 0.009 53. LP ( 2) S 5 117. 3C*( 1)Tc1-C12-C13 0.17 0.31 0.009 53. LP ( 2) S 5 118. 3C*( 1)Tc1-C14-C15 0.14 0.30 0.008 53. LP ( 2) S 5 120. RY ( 2)Tc 1 0.06 2.84 0.017 53. LP ( 2) S 5 122. RY ( 4)Tc 1 0.06 1.52 0.012 53. LP ( 2) S 5 132. RY (14)Tc 1 0.04 5.44 0.018 53. LP ( 2) S 5 138. RY (20)Tc 1 0.03 4.87 0.015 53. LP ( 2) S 5 662. RY ( 5) P 10 0.04 2.14 0.012 53. LP ( 2) S 5 665. RY ( 8) P 10 0.03 2.59 0.011 53. LP ( 2) S 5 1240. RY ( 1) H 25 0.05 1.82 0.012 54. LP ( 1) S 6 87. LV ( 1)Tc 1 4.43 1.10 0.088 54. LP ( 1) S 6 88. BD*( 1)Tc 1- P 10 0.05 0.55 0.007 54. LP ( 1) S 6 94. BD*( 1) C 7- H 16 0.05 0.82 0.008 54. LP ( 1) S 6 96. BD*( 1) C 7- H 18 0.03 0.83 0.006 54. LP ( 1) S 6 101. BD*( 1) C 9- P 10 0.12 0.67 0.011 54. LP ( 1) S 6 115. 3Cn( 1)Tc1-C12-C13 0.04 0.53 0.006 54. LP ( 1) S 6 116. 3Cn( 1)Tc1-C14-C15 4.27 0.52 0.059 54. LP ( 1) S 6 118. 3C*( 1)Tc1-C14-C15 1.16 0.53 0.031 54. LP ( 1) S 6 119. RY ( 1)Tc 1 0.09 2.84 0.020 54. LP ( 1) S 6 120. RY ( 2)Tc 1 0.03 3.06 0.011 54. LP ( 1) S 6 123. RY ( 5)Tc 1 0.13 2.12 0.021 54. LP ( 1) S 6 125. RY ( 7)Tc 1 0.10 3.23 0.022 54. LP ( 1) S 6 126. RY ( 8)Tc 1 0.10 2.68 0.021 54. LP ( 1) S 6 127. RY ( 9)Tc 1 0.07 2.59 0.017 54. LP ( 1) S 6 134. RY (16)Tc 1 0.03 2.57 0.011 54. LP ( 1) S 6 136. RY (18)Tc 1 0.10 2.64 0.021 54. LP ( 1) S 6 138. RY (20)Tc 1 0.08 5.09 0.025 54. LP ( 1) S 6 141. RY (23)Tc 1 0.16 3.89 0.031 54. LP ( 1) S 6 144. RY (26)Tc 1 0.04 3.09 0.014 54. LP ( 1) S 6 164. RY (46)Tc 1 0.03 12.10 0.026 54. LP ( 1) S 6 165. RY (47)Tc 1 0.05 12.37 0.031 54. LP ( 1) S 6 168. RY (50)Tc 1 0.03 10.36 0.024 54. LP ( 1) S 6 169. RY (51)Tc 1 0.03 24.00 0.036 54. LP ( 1) S 6 170. RY (52)Tc 1 0.04 14.41 0.032 54. LP ( 1) S 6 174. RY (56)Tc 1 0.03 8.24 0.019 54. LP ( 1) S 6 175. RY (57)Tc 1 0.08 11.70 0.039 54. LP ( 1) S 6 184. RY (66)Tc 1 0.03 5.09 0.015 54. LP ( 1) S 6 195. RY (77)Tc 1 0.05 5.24 0.021 54. LP ( 1) S 6 662. RY ( 5) P 10 0.06 2.36 0.015 54. LP ( 1) S 6 665. RY ( 8) P 10 0.06 2.82 0.016 54. LP ( 1) S 6 674. RY (17) P 10 0.05 3.51 0.017 54. LP ( 1) S 6 676. RY (19) P 10 0.05 5.06 0.020 54. LP ( 1) S 6 678. RY (21) P 10 0.03 4.13 0.014 54. LP ( 1) S 6 719. RY ( 1) C 11 0.07 2.59 0.017 54. LP ( 1) S 6 773. RY ( 3) C 12 0.04 3.07 0.014 54. LP ( 1) S 6 823. RY ( 1) C 13 0.04 1.98 0.011 54. LP ( 1) S 6 927. RY ( 1) C 15 0.03 2.02 0.011 54. LP ( 1) S 6 929. RY ( 3) C 15 0.04 3.08 0.014 55. LP ( 2) S 6 87. LV ( 1)Tc 1 1.81 0.86 0.050 55. LP ( 2) S 6 97. BD*( 1) C 8- P 10 0.06 0.42 0.006 55. LP ( 2) S 6 101. BD*( 1) C 9- P 10 0.18 0.42 0.011 55. LP ( 2) S 6 109. BD*( 1) C 12- H 26 0.03 0.63 0.006 55. LP ( 2) S 6 115. 3Cn( 1)Tc1-C12-C13 2.08 0.28 0.031 55. LP ( 2) S 6 116. 3Cn( 1)Tc1-C14-C15 13.52 0.27 0.077 55. LP ( 2) S 6 117. 3C*( 1)Tc1-C12-C13 0.53 0.29 0.016 55. LP ( 2) S 6 118. 3C*( 1)Tc1-C14-C15 5.93 0.28 0.051 55. LP ( 2) S 6 119. RY ( 1)Tc 1 0.12 2.59 0.022 55. LP ( 2) S 6 120. RY ( 2)Tc 1 0.92 2.81 0.064 55. LP ( 2) S 6 121. RY ( 3)Tc 1 0.45 2.92 0.046 55. LP ( 2) S 6 123. RY ( 5)Tc 1 0.73 1.87 0.047 55. LP ( 2) S 6 124. RY ( 6)Tc 1 0.27 3.25 0.037 55. LP ( 2) S 6 125. RY ( 7)Tc 1 0.35 2.99 0.041 55. LP ( 2) S 6 126. RY ( 8)Tc 1 0.70 2.44 0.052 55. LP ( 2) S 6 127. RY ( 9)Tc 1 0.40 2.35 0.039 55. LP ( 2) S 6 128. RY (10)Tc 1 0.31 2.55 0.035 55. LP ( 2) S 6 129. RY (11)Tc 1 0.13 3.75 0.028 55. LP ( 2) S 6 130. RY (12)Tc 1 0.24 3.55 0.037 55. LP ( 2) S 6 131. RY (13)Tc 1 0.44 5.98 0.065 55. LP ( 2) S 6 132. RY (14)Tc 1 0.48 5.42 0.064 55. LP ( 2) S 6 133. RY (15)Tc 1 0.03 2.73 0.011 55. LP ( 2) S 6 134. RY (16)Tc 1 0.11 2.32 0.020 55. LP ( 2) S 6 135. RY (17)Tc 1 0.03 2.76 0.011 55. LP ( 2) S 6 137. RY (19)Tc 1 0.11 3.06 0.024 55. LP ( 2) S 6 138. RY (20)Tc 1 0.86 4.85 0.081 55. LP ( 2) S 6 139. RY (21)Tc 1 0.10 3.23 0.023 55. LP ( 2) S 6 141. RY (23)Tc 1 0.20 3.65 0.034 55. LP ( 2) S 6 144. RY (26)Tc 1 0.03 2.85 0.012 55. LP ( 2) S 6 145. RY (27)Tc 1 0.07 2.93 0.019 55. LP ( 2) S 6 146. RY (28)Tc 1 0.23 4.23 0.039 55. LP ( 2) S 6 147. RY (29)Tc 1 0.06 3.55 0.018 55. LP ( 2) S 6 149. RY (31)Tc 1 0.06 3.85 0.019 55. LP ( 2) S 6 151. RY (33)Tc 1 0.16 4.69 0.034 55. LP ( 2) S 6 152. RY (34)Tc 1 0.18 5.36 0.040 55. LP ( 2) S 6 156. RY (38)Tc 1 0.03 3.61 0.014 55. LP ( 2) S 6 157. RY (39)Tc 1 0.04 5.57 0.019 55. LP ( 2) S 6 161. RY (43)Tc 1 0.07 4.00 0.021 55. LP ( 2) S 6 163. RY (45)Tc 1 0.06 5.40 0.022 55. LP ( 2) S 6 164. RY (46)Tc 1 0.07 11.85 0.036 55. LP ( 2) S 6 165. RY (47)Tc 1 0.03 12.13 0.022 55. LP ( 2) S 6 166. RY (48)Tc 1 0.05 8.25 0.027 55. LP ( 2) S 6 167. RY (49)Tc 1 0.07 8.66 0.032 55. LP ( 2) S 6 168. RY (50)Tc 1 0.05 10.12 0.028 55. LP ( 2) S 6 169. RY (51)Tc 1 0.10 23.75 0.062 55. LP ( 2) S 6 170. RY (52)Tc 1 0.04 14.17 0.031 55. LP ( 2) S 6 171. RY (53)Tc 1 0.04 6.95 0.022 55. LP ( 2) S 6 174. RY (56)Tc 1 0.06 8.00 0.028 55. LP ( 2) S 6 177. RY (59)Tc 1 0.07 5.34 0.024 55. LP ( 2) S 6 182. RY (64)Tc 1 0.04 5.25 0.018 55. LP ( 2) S 6 184. RY (66)Tc 1 0.06 4.84 0.021 55. LP ( 2) S 6 185. RY (67)Tc 1 0.04 4.35 0.017 55. LP ( 2) S 6 189. RY (71)Tc 1 0.04 5.50 0.020 55. LP ( 2) S 6 191. RY (73)Tc 1 0.07 4.61 0.022 55. LP ( 2) S 6 192. RY (74)Tc 1 0.32 5.54 0.053 55. LP ( 2) S 6 193. RY (75)Tc 1 0.05 4.21 0.019 55. LP ( 2) S 6 195. RY (77)Tc 1 0.07 4.99 0.023 55. LP ( 2) S 6 502. RY ( 1) C 7 0.03 2.90 0.012 55. LP ( 2) S 6 554. RY ( 1) C 8 0.04 2.62 0.013 55. LP ( 2) S 6 658. RY ( 1) P 10 0.11 1.82 0.018 55. LP ( 2) S 6 660. RY ( 3) P 10 0.03 1.58 0.009 55. LP ( 2) S 6 662. RY ( 5) P 10 0.33 2.12 0.033 55. LP ( 2) S 6 665. RY ( 8) P 10 0.25 2.57 0.032 55. LP ( 2) S 6 667. RY (10) P 10 0.14 2.66 0.025 55. LP ( 2) S 6 668. RY (11) P 10 0.12 3.10 0.025 55. LP ( 2) S 6 671. RY (14) P 10 0.08 3.62 0.022 55. LP ( 2) S 6 674. RY (17) P 10 0.41 3.27 0.046 55. LP ( 2) S 6 675. RY (18) P 10 0.18 2.58 0.028 55. LP ( 2) S 6 676. RY (19) P 10 0.43 4.81 0.057 55. LP ( 2) S 6 678. RY (21) P 10 0.14 3.88 0.030 55. LP ( 2) S 6 688. RY (31) P 10 0.05 4.45 0.018 55. LP ( 2) S 6 719. RY ( 1) C 11 0.19 2.34 0.027 55. LP ( 2) S 6 721. RY ( 3) C 11 0.05 2.36 0.014 55. LP ( 2) S 6 722. RY ( 4) C 11 0.03 1.61 0.009 55. LP ( 2) S 6 728. RY (10) C 11 0.06 2.81 0.016 55. LP ( 2) S 6 730. RY (12) C 11 0.03 3.93 0.013 55. LP ( 2) S 6 771. RY ( 1) C 12 0.06 1.70 0.013 55. LP ( 2) S 6 772. RY ( 2) C 12 0.03 1.75 0.008 55. LP ( 2) S 6 773. RY ( 3) C 12 0.14 2.82 0.025 55. LP ( 2) S 6 780. RY (10) C 12 0.03 2.42 0.010 55. LP ( 2) S 6 781. RY (11) C 12 0.03 3.20 0.013 55. LP ( 2) S 6 823. RY ( 1) C 13 0.07 1.74 0.014 55. LP ( 2) S 6 824. RY ( 2) C 13 0.03 1.80 0.009 55. LP ( 2) S 6 825. RY ( 3) C 13 0.03 2.53 0.011 55. LP ( 2) S 6 833. RY (11) C 13 0.03 3.49 0.012 55. LP ( 2) S 6 875. RY ( 1) C 14 0.34 1.81 0.031 55. LP ( 2) S 6 877. RY ( 3) C 14 0.13 2.49 0.023 55. LP ( 2) S 6 878. RY ( 4) C 14 0.12 1.83 0.018 55. LP ( 2) S 6 882. RY ( 8) C 14 0.03 3.10 0.012 55. LP ( 2) S 6 885. RY (11) C 14 0.04 3.25 0.015 55. LP ( 2) S 6 889. RY (15) C 14 0.07 4.11 0.021 55. LP ( 2) S 6 927. RY ( 1) C 15 0.16 1.77 0.021 55. LP ( 2) S 6 929. RY ( 3) C 15 0.19 2.83 0.029 55. LP ( 2) S 6 935. RY ( 9) C 15 0.06 2.71 0.016 55. LP ( 2) S 6 937. RY (11) C 15 0.10 3.28 0.023 56. LP ( 3) S 6 87. LV ( 1)Tc 1 62.86 0.86 0.293 56. LP ( 3) S 6 88. BD*( 1)Tc 1- P 10 0.62 0.31 0.017 56. LP ( 3) S 6 93. BD*( 1) C 7- P 10 0.58 0.42 0.020 56. LP ( 3) S 6 97. BD*( 1) C 8- P 10 0.04 0.43 0.005 56. LP ( 3) S 6 101. BD*( 1) C 9- P 10 0.23 0.42 0.013 56. LP ( 3) S 6 102. BD*( 1) C 9- H 22 0.05 0.58 0.007 56. LP ( 3) S 6 109. BD*( 1) C 12- H 26 0.04 0.63 0.006 56. LP ( 3) S 6 115. 3Cn( 1)Tc1-C12-C13 1.53 0.29 0.026 56. LP ( 3) S 6 116. 3Cn( 1)Tc1-C14-C15 59.00 0.28 0.161 56. LP ( 3) S 6 117. 3C*( 1)Tc1-C12-C13 1.86 0.29 0.029 56. LP ( 3) S 6 118. 3C*( 1)Tc1-C14-C15 19.80 0.28 0.094 56. LP ( 3) S 6 119. RY ( 1)Tc 1 4.57 2.59 0.137 56. LP ( 3) S 6 120. RY ( 2)Tc 1 10.67 2.82 0.219 56. LP ( 3) S 6 121. RY ( 3)Tc 1 4.42 2.92 0.143 56. LP ( 3) S 6 122. RY ( 4)Tc 1 0.13 1.51 0.018 56. LP ( 3) S 6 123. RY ( 5)Tc 1 1.04 1.88 0.056 56. LP ( 3) S 6 124. RY ( 6)Tc 1 6.07 3.26 0.178 56. LP ( 3) S 6 125. RY ( 7)Tc 1 7.15 2.99 0.185 56. LP ( 3) S 6 126. RY ( 8)Tc 1 9.40 2.44 0.191 56. LP ( 3) S 6 127. RY ( 9)Tc 1 2.71 2.35 0.101 56. LP ( 3) S 6 128. RY (10)Tc 1 0.20 2.56 0.028 56. LP ( 3) S 6 129. RY (11)Tc 1 2.08 3.76 0.112 56. LP ( 3) S 6 130. RY (12)Tc 1 1.36 3.55 0.088 56. LP ( 3) S 6 131. RY (13)Tc 1 8.61 5.98 0.287 56. LP ( 3) S 6 132. RY (14)Tc 1 9.55 5.42 0.287 56. LP ( 3) S 6 133. RY (15)Tc 1 0.62 2.73 0.052 56. LP ( 3) S 6 134. RY (16)Tc 1 1.09 2.33 0.064 56. LP ( 3) S 6 135. RY (17)Tc 1 0.59 2.76 0.051 56. LP ( 3) S 6 137. RY (19)Tc 1 0.22 3.06 0.033 56. LP ( 3) S 6 138. RY (20)Tc 1 8.01 4.85 0.249 56. LP ( 3) S 6 139. RY (21)Tc 1 1.19 3.23 0.078 56. LP ( 3) S 6 140. RY (22)Tc 1 0.17 3.21 0.030 56. LP ( 3) S 6 141. RY (23)Tc 1 4.10 3.65 0.155 56. LP ( 3) S 6 143. RY (25)Tc 1 0.06 2.60 0.015 56. LP ( 3) S 6 144. RY (26)Tc 1 0.58 2.85 0.052 56. LP ( 3) S 6 145. RY (27)Tc 1 1.20 2.94 0.075 56. LP ( 3) S 6 146. RY (28)Tc 1 1.90 4.23 0.113 56. LP ( 3) S 6 147. RY (29)Tc 1 1.01 3.56 0.076 56. LP ( 3) S 6 148. RY (30)Tc 1 0.09 3.57 0.022 56. LP ( 3) S 6 149. RY (31)Tc 1 0.57 3.85 0.059 56. LP ( 3) S 6 150. RY (32)Tc 1 0.07 4.17 0.022 56. LP ( 3) S 6 151. RY (33)Tc 1 2.10 4.70 0.125 56. LP ( 3) S 6 152. RY (34)Tc 1 1.79 5.36 0.124 56. LP ( 3) S 6 154. RY (36)Tc 1 0.22 3.99 0.038 56. LP ( 3) S 6 155. RY (37)Tc 1 0.11 4.51 0.029 56. LP ( 3) S 6 156. RY (38)Tc 1 1.17 3.61 0.082 56. LP ( 3) S 6 157. RY (39)Tc 1 0.74 5.58 0.081 56. LP ( 3) S 6 158. RY (40)Tc 1 0.23 6.07 0.047 56. LP ( 3) S 6 161. RY (43)Tc 1 1.35 4.00 0.093 56. LP ( 3) S 6 162. RY (44)Tc 1 0.08 4.75 0.024 56. LP ( 3) S 6 163. RY (45)Tc 1 0.75 5.40 0.080 56. LP ( 3) S 6 164. RY (46)Tc 1 1.00 11.86 0.138 56. LP ( 3) S 6 165. RY (47)Tc 1 0.38 12.13 0.085 56. LP ( 3) S 6 166. RY (48)Tc 1 0.45 8.25 0.077 56. LP ( 3) S 6 167. RY (49)Tc 1 1.04 8.66 0.120 56. LP ( 3) S 6 168. RY (50)Tc 1 0.80 10.12 0.114 56. LP ( 3) S 6 169. RY (51)Tc 1 1.58 23.76 0.244 56. LP ( 3) S 6 170. RY (52)Tc 1 0.94 14.17 0.145 56. LP ( 3) S 6 171. RY (53)Tc 1 0.60 6.95 0.081 56. LP ( 3) S 6 173. RY (55)Tc 1 0.20 5.70 0.043 56. LP ( 3) S 6 174. RY (56)Tc 1 0.85 8.00 0.104 56. LP ( 3) S 6 176. RY (58)Tc 1 0.08 4.57 0.024 56. LP ( 3) S 6 177. RY (59)Tc 1 1.02 5.34 0.093 56. LP ( 3) S 6 178. RY (60)Tc 1 0.03 5.34 0.017 56. LP ( 3) S 6 180. RY (62)Tc 1 0.05 3.51 0.017 56. LP ( 3) S 6 181. RY (63)Tc 1 0.06 4.60 0.021 56. LP ( 3) S 6 182. RY (64)Tc 1 0.22 5.25 0.042 56. LP ( 3) S 6 183. RY (65)Tc 1 0.03 5.73 0.016 56. LP ( 3) S 6 184. RY (66)Tc 1 0.50 4.84 0.062 56. LP ( 3) S 6 185. RY (67)Tc 1 0.77 4.35 0.073 56. LP ( 3) S 6 186. RY (68)Tc 1 0.05 5.21 0.021 56. LP ( 3) S 6 187. RY (69)Tc 1 0.10 4.65 0.027 56. LP ( 3) S 6 188. RY (70)Tc 1 0.19 4.11 0.035 56. LP ( 3) S 6 189. RY (71)Tc 1 1.03 5.51 0.095 56. LP ( 3) S 6 190. RY (72)Tc 1 0.08 3.53 0.021 56. LP ( 3) S 6 191. RY (73)Tc 1 0.71 4.61 0.072 56. LP ( 3) S 6 192. RY (74)Tc 1 4.89 5.55 0.208 56. LP ( 3) S 6 193. RY (75)Tc 1 0.40 4.21 0.052 56. LP ( 3) S 6 194. RY (76)Tc 1 0.15 3.64 0.029 56. LP ( 3) S 6 195. RY (77)Tc 1 0.80 5.00 0.080 56. LP ( 3) S 6 502. RY ( 1) C 7 0.29 2.90 0.037 56. LP ( 3) S 6 505. RY ( 4) C 7 0.10 1.73 0.017 56. LP ( 3) S 6 506. RY ( 5) C 7 0.08 1.55 0.014 56. LP ( 3) S 6 509. RY ( 8) C 7 0.12 1.53 0.017 56. LP ( 3) S 6 510. RY ( 9) C 7 0.07 2.76 0.017 56. LP ( 3) S 6 514. RY (13) C 7 0.10 2.69 0.020 56. LP ( 3) S 6 537. RY (36) C 7 0.03 5.29 0.015 56. LP ( 3) S 6 538. RY (37) C 7 0.07 4.87 0.024 56. LP ( 3) S 6 541. RY (40) C 7 0.10 3.25 0.022 56. LP ( 3) S 6 542. RY (41) C 7 0.03 3.18 0.012 56. LP ( 3) S 6 554. RY ( 1) C 8 0.35 2.62 0.038 56. LP ( 3) S 6 558. RY ( 5) C 8 0.04 1.86 0.011 56. LP ( 3) S 6 559. RY ( 6) C 8 0.04 1.65 0.010 56. LP ( 3) S 6 561. RY ( 8) C 8 0.12 1.70 0.018 56. LP ( 3) S 6 562. RY ( 9) C 8 0.06 2.49 0.015 56. LP ( 3) S 6 566. RY (13) C 8 0.03 3.22 0.013 56. LP ( 3) S 6 567. RY (14) C 8 0.16 3.76 0.031 56. LP ( 3) S 6 569. RY (16) C 8 0.05 3.51 0.016 56. LP ( 3) S 6 590. RY (37) C 8 0.03 3.84 0.014 56. LP ( 3) S 6 592. RY (39) C 8 0.05 4.28 0.019 56. LP ( 3) S 6 593. RY (40) C 8 0.07 2.87 0.018 56. LP ( 3) S 6 606. RY ( 1) C 9 0.35 3.00 0.041 56. LP ( 3) S 6 613. RY ( 8) C 9 0.14 1.30 0.017 56. LP ( 3) S 6 614. RY ( 9) C 9 0.03 2.26 0.010 56. LP ( 3) S 6 617. RY (12) C 9 0.09 2.55 0.019 56. LP ( 3) S 6 618. RY (13) C 9 0.03 3.50 0.012 56. LP ( 3) S 6 619. RY (14) C 9 0.23 2.99 0.033 56. LP ( 3) S 6 620. RY (15) C 9 0.18 4.28 0.035 56. LP ( 3) S 6 646. RY (41) C 9 0.04 3.39 0.015 56. LP ( 3) S 6 658. RY ( 1) P 10 1.28 1.83 0.061 56. LP ( 3) S 6 659. RY ( 2) P 10 0.04 1.64 0.011 56. LP ( 3) S 6 660. RY ( 3) P 10 0.36 1.58 0.030 56. LP ( 3) S 6 661. RY ( 4) P 10 0.03 1.55 0.009 56. LP ( 3) S 6 662. RY ( 5) P 10 4.71 2.12 0.126 56. LP ( 3) S 6 663. RY ( 6) P 10 0.09 1.56 0.015 56. LP ( 3) S 6 665. RY ( 8) P 10 4.79 2.57 0.140 56. LP ( 3) S 6 666. RY ( 9) P 10 0.15 2.37 0.024 56. LP ( 3) S 6 667. RY (10) P 10 1.28 2.66 0.074 56. LP ( 3) S 6 668. RY (11) P 10 1.17 3.10 0.076 56. LP ( 3) S 6 669. RY (12) P 10 0.72 3.09 0.060 56. LP ( 3) S 6 670. RY (13) P 10 0.03 2.99 0.012 56. LP ( 3) S 6 671. RY (14) P 10 1.22 3.62 0.084 56. LP ( 3) S 6 672. RY (15) P 10 0.21 2.98 0.032 56. LP ( 3) S 6 674. RY (17) P 10 4.32 3.27 0.150 56. LP ( 3) S 6 675. RY (18) P 10 2.48 2.59 0.101 56. LP ( 3) S 6 676. RY (19) P 10 6.10 4.81 0.216 56. LP ( 3) S 6 677. RY (20) P 10 0.03 4.73 0.016 56. LP ( 3) S 6 678. RY (21) P 10 2.13 3.88 0.115 56. LP ( 3) S 6 679. RY (22) P 10 0.04 4.41 0.017 56. LP ( 3) S 6 680. RY (23) P 10 0.51 4.43 0.060 56. LP ( 3) S 6 681. RY (24) P 10 0.03 3.77 0.013 56. LP ( 3) S 6 682. RY (25) P 10 0.04 5.17 0.017 56. LP ( 3) S 6 683. RY (26) P 10 0.03 4.27 0.014 56. LP ( 3) S 6 684. RY (27) P 10 0.08 5.47 0.027 56. LP ( 3) S 6 685. RY (28) P 10 0.13 5.20 0.032 56. LP ( 3) S 6 687. RY (30) P 10 0.03 5.77 0.017 56. LP ( 3) S 6 688. RY (31) P 10 0.34 4.45 0.049 56. LP ( 3) S 6 689. RY (32) P 10 0.03 5.17 0.017 56. LP ( 3) S 6 690. RY (33) P 10 0.05 4.72 0.019 56. LP ( 3) S 6 691. RY (34) P 10 0.04 5.03 0.019 56. LP ( 3) S 6 692. RY (35) P 10 0.04 5.02 0.019 56. LP ( 3) S 6 693. RY (36) P 10 0.18 4.78 0.037 56. LP ( 3) S 6 695. RY (38) P 10 0.08 4.37 0.024 56. LP ( 3) S 6 697. RY (40) P 10 0.20 4.17 0.036 56. LP ( 3) S 6 712. RY (55) P 10 0.03 7.01 0.019 56. LP ( 3) S 6 717. RY (60) P 10 0.05 5.30 0.021 56. LP ( 3) S 6 718. RY (61) P 10 0.03 5.38 0.017 56. LP ( 3) S 6 719. RY ( 1) C 11 3.43 2.34 0.113 56. LP ( 3) S 6 721. RY ( 3) C 11 0.92 2.36 0.059 56. LP ( 3) S 6 722. RY ( 4) C 11 0.36 1.61 0.030 56. LP ( 3) S 6 723. RY ( 5) C 11 0.30 2.83 0.037 56. LP ( 3) S 6 726. RY ( 8) C 11 0.03 2.77 0.011 56. LP ( 3) S 6 727. RY ( 9) C 11 0.04 2.74 0.012 56. LP ( 3) S 6 728. RY (10) C 11 1.11 2.81 0.071 56. LP ( 3) S 6 729. RY (11) C 11 0.08 2.83 0.020 56. LP ( 3) S 6 730. RY (12) C 11 0.38 3.93 0.049 56. LP ( 3) S 6 735. RY (17) C 11 0.08 4.92 0.025 56. LP ( 3) S 6 736. RY (18) C 11 0.05 5.08 0.019 56. LP ( 3) S 6 745. RY (27) C 11 0.09 4.49 0.026 56. LP ( 3) S 6 750. RY (32) C 11 0.04 4.56 0.018 56. LP ( 3) S 6 751. RY (33) C 11 0.05 4.84 0.019 56. LP ( 3) S 6 752. RY (34) C 11 0.03 5.33 0.015 56. LP ( 3) S 6 771. RY ( 1) C 12 1.19 1.70 0.057 56. LP ( 3) S 6 772. RY ( 2) C 12 0.23 1.75 0.025 56. LP ( 3) S 6 773. RY ( 3) C 12 2.07 2.83 0.097 56. LP ( 3) S 6 774. RY ( 4) C 12 0.14 2.81 0.025 56. LP ( 3) S 6 775. RY ( 5) C 12 0.06 2.43 0.015 56. LP ( 3) S 6 779. RY ( 9) C 12 0.58 2.94 0.052 56. LP ( 3) S 6 780. RY (10) C 12 0.23 2.43 0.030 56. LP ( 3) S 6 781. RY (11) C 12 0.96 3.20 0.070 56. LP ( 3) S 6 782. RY (12) C 12 0.03 4.17 0.014 56. LP ( 3) S 6 783. RY (13) C 12 0.13 4.50 0.030 56. LP ( 3) S 6 785. RY (15) C 12 0.04 4.67 0.018 56. LP ( 3) S 6 786. RY (16) C 12 0.06 3.76 0.019 56. LP ( 3) S 6 788. RY (18) C 12 0.19 5.66 0.041 56. LP ( 3) S 6 803. RY (33) C 12 0.06 5.53 0.023 56. LP ( 3) S 6 804. RY (34) C 12 0.04 5.15 0.017 56. LP ( 3) S 6 823. RY ( 1) C 13 0.78 1.74 0.047 56. LP ( 3) S 6 824. RY ( 2) C 13 0.18 1.80 0.023 56. LP ( 3) S 6 825. RY ( 3) C 13 0.74 2.53 0.055 56. LP ( 3) S 6 828. RY ( 6) C 13 0.38 3.42 0.045 56. LP ( 3) S 6 830. RY ( 8) C 13 0.29 3.22 0.039 56. LP ( 3) S 6 832. RY (10) C 13 0.05 3.02 0.016 56. LP ( 3) S 6 833. RY (11) C 13 0.31 3.49 0.042 56. LP ( 3) S 6 834. RY (12) C 13 0.13 3.67 0.027 56. LP ( 3) S 6 836. RY (14) C 13 0.35 3.69 0.045 56. LP ( 3) S 6 837. RY (15) C 13 0.06 4.04 0.020 56. LP ( 3) S 6 838. RY (16) C 13 0.03 3.69 0.014 56. LP ( 3) S 6 840. RY (18) C 13 0.06 3.56 0.019 56. LP ( 3) S 6 855. RY (33) C 13 0.10 4.96 0.029 56. LP ( 3) S 6 858. RY (36) C 13 0.10 4.84 0.028 56. LP ( 3) S 6 875. RY ( 1) C 14 3.45 1.81 0.100 56. LP ( 3) S 6 876. RY ( 2) C 14 0.50 1.81 0.038 56. LP ( 3) S 6 877. RY ( 3) C 14 1.09 2.49 0.066 56. LP ( 3) S 6 878. RY ( 4) C 14 0.35 1.83 0.032 56. LP ( 3) S 6 880. RY ( 6) C 14 0.32 3.57 0.043 56. LP ( 3) S 6 882. RY ( 8) C 14 0.45 3.10 0.047 56. LP ( 3) S 6 884. RY (10) C 14 0.11 3.11 0.023 56. LP ( 3) S 6 885. RY (11) C 14 0.32 3.25 0.041 56. LP ( 3) S 6 886. RY (12) C 14 0.04 3.84 0.015 56. LP ( 3) S 6 889. RY (15) C 14 0.43 4.11 0.053 56. LP ( 3) S 6 891. RY (17) C 14 0.05 4.25 0.019 56. LP ( 3) S 6 898. RY (24) C 14 0.04 5.42 0.019 56. LP ( 3) S 6 904. RY (30) C 14 0.10 5.79 0.030 56. LP ( 3) S 6 905. RY (31) C 14 0.08 5.19 0.026 56. LP ( 3) S 6 908. RY (34) C 14 0.04 4.74 0.018 56. LP ( 3) S 6 909. RY (35) C 14 0.04 4.02 0.017 56. LP ( 3) S 6 910. RY (36) C 14 0.05 3.64 0.017 56. LP ( 3) S 6 927. RY ( 1) C 15 2.25 1.78 0.080 56. LP ( 3) S 6 928. RY ( 2) C 15 0.30 1.74 0.029 56. LP ( 3) S 6 929. RY ( 3) C 15 2.79 2.83 0.112 56. LP ( 3) S 6 930. RY ( 4) C 15 0.19 2.99 0.030 56. LP ( 3) S 6 931. RY ( 5) C 15 0.17 2.26 0.024 56. LP ( 3) S 6 935. RY ( 9) C 15 0.56 2.71 0.049 56. LP ( 3) S 6 936. RY (10) C 15 0.06 2.42 0.015 56. LP ( 3) S 6 937. RY (11) C 15 0.97 3.29 0.071 56. LP ( 3) S 6 938. RY (12) C 15 0.08 4.43 0.023 56. LP ( 3) S 6 941. RY (15) C 15 0.03 4.80 0.015 56. LP ( 3) S 6 942. RY (16) C 15 0.19 3.53 0.033 56. LP ( 3) S 6 943. RY (17) C 15 0.26 4.66 0.044 56. LP ( 3) S 6 944. RY (18) C 15 0.07 4.18 0.021 56. LP ( 3) S 6 960. RY (34) C 15 0.04 5.46 0.018 56. LP ( 3) S 6 961. RY (35) C 15 0.03 3.83 0.013 56. LP ( 3) S 6 979. RY ( 1) H 16 0.33 1.56 0.029 56. LP ( 3) S 6 982. RY ( 4) H 16 0.26 1.80 0.027 56. LP ( 3) S 6 1037. RY ( 1) H 18 0.09 2.94 0.021 56. LP ( 3) S 6 1038. RY ( 2) H 18 0.04 1.91 0.011 56. LP ( 3) S 6 1040. RY ( 4) H 18 0.24 1.96 0.027 56. LP ( 3) S 6 1066. RY ( 1) H 19 0.38 1.39 0.029 56. LP ( 3) S 6 1069. RY ( 4) H 19 0.24 1.89 0.027 56. LP ( 3) S 6 1098. RY ( 4) H 20 0.09 1.48 0.014 56. LP ( 3) S 6 1127. RY ( 4) H 21 0.17 1.56 0.020 56. LP ( 3) S 6 1153. RY ( 1) H 22 0.20 1.69 0.023 56. LP ( 3) S 6 1156. RY ( 4) H 22 0.25 1.65 0.026 56. LP ( 3) S 6 1214. RY ( 4) H 24 0.03 1.33 0.008 56. LP ( 3) S 6 1243. RY ( 4) H 25 0.12 1.95 0.019 56. LP ( 3) S 6 1244. RY ( 5) H 25 0.07 3.47 0.020 56. LP ( 3) S 6 1270. RY ( 2) H 26 0.03 3.13 0.013 56. LP ( 3) S 6 1272. RY ( 4) H 26 0.10 3.26 0.023 56. LP ( 3) S 6 1273. RY ( 5) H 26 0.06 2.44 0.015 56. LP ( 3) S 6 1298. RY ( 1) H 27 0.03 1.55 0.009 56. LP ( 3) S 6 1299. RY ( 2) H 27 0.03 2.83 0.012 56. LP ( 3) S 6 1309. RY (12) H 27 0.03 4.81 0.015 56. LP ( 3) S 6 1330. RY ( 4) H 28 0.08 3.26 0.021 56. LP ( 3) S 6 1331. RY ( 5) H 28 0.07 2.38 0.016 56. LP ( 3) S 6 1356. RY ( 1) H 29 0.11 1.65 0.017 56. LP ( 3) S 6 1357. RY ( 2) H 29 0.04 3.62 0.015 56. LP ( 3) S 6 1358. RY ( 3) H 29 0.07 3.30 0.020 56. LP ( 3) S 6 1359. RY ( 4) H 29 0.06 3.66 0.018 56. LP ( 3) S 6 1360. RY ( 5) H 29 0.07 2.19 0.015 56. LP ( 3) S 6 1365. RY (10) H 29 0.03 5.09 0.017 56. LP ( 3) S 6 1378. RY (23) H 29 0.04 4.60 0.018 59. BD ( 1) S 2- S 3 87. LV ( 1)Tc 1 0.47 1.13 0.029 59. BD ( 1) S 2- S 3 115. 3Cn( 1)Tc1-C12-C13 1.02 0.55 0.030 59. BD ( 1) S 2- S 3 116. 3Cn( 1)Tc1-C14-C15 0.05 0.54 0.006 59. BD ( 1) S 2- S 3 117. 3C*( 1)Tc1-C12-C13 0.92 0.56 0.029 59. BD ( 1) S 2- S 3 119. RY ( 1)Tc 1 0.67 2.86 0.055 59. BD ( 1) S 2- S 3 120. RY ( 2)Tc 1 0.04 3.08 0.014 59. BD ( 1) S 2- S 3 121. RY ( 3)Tc 1 1.23 3.19 0.079 59. BD ( 1) S 2- S 3 122. RY ( 4)Tc 1 0.06 1.77 0.013 59. BD ( 1) S 2- S 3 124. RY ( 6)Tc 1 0.13 3.52 0.027 59. BD ( 1) S 2- S 3 125. RY ( 7)Tc 1 0.16 3.26 0.029 59. BD ( 1) S 2- S 3 126. RY ( 8)Tc 1 0.07 2.70 0.018 59. BD ( 1) S 2- S 3 135. RY (17)Tc 1 0.03 3.03 0.012 59. BD ( 1) S 2- S 3 136. RY (18)Tc 1 0.06 2.67 0.016 59. BD ( 1) S 2- S 3 137. RY (19)Tc 1 0.04 3.33 0.014 59. BD ( 1) S 2- S 3 138. RY (20)Tc 1 0.06 5.12 0.021 59. BD ( 1) S 2- S 3 140. RY (22)Tc 1 0.05 3.48 0.017 59. BD ( 1) S 2- S 3 144. RY (26)Tc 1 0.03 3.12 0.012 59. BD ( 1) S 2- S 3 555. RY ( 2) C 8 0.03 2.47 0.011 59. BD ( 1) S 2- S 3 727. RY ( 9) C 11 0.04 3.00 0.013 59. BD ( 1) S 2- S 3 823. RY ( 1) C 13 0.06 2.01 0.014 60. BD ( 1) S 3- S 4 87. LV ( 1)Tc 1 0.15 1.14 0.016 60. BD ( 1) S 3- S 4 88. BD*( 1)Tc 1- P 10 0.07 0.59 0.008 60. BD ( 1) S 3- S 4 115. 3Cn( 1)Tc1-C12-C13 0.36 0.57 0.018 60. BD ( 1) S 3- S 4 116. 3Cn( 1)Tc1-C14-C15 0.19 0.56 0.013 60. BD ( 1) S 3- S 4 117. 3C*( 1)Tc1-C12-C13 0.22 0.57 0.014 60. BD ( 1) S 3- S 4 118. 3C*( 1)Tc1-C14-C15 0.08 0.56 0.008 60. BD ( 1) S 3- S 4 119. RY ( 1)Tc 1 0.34 2.88 0.039 60. BD ( 1) S 3- S 4 120. RY ( 2)Tc 1 0.12 3.10 0.024 60. BD ( 1) S 3- S 4 121. RY ( 3)Tc 1 0.16 3.20 0.028 60. BD ( 1) S 3- S 4 123. RY ( 5)Tc 1 0.03 2.16 0.010 60. BD ( 1) S 3- S 4 126. RY ( 8)Tc 1 0.40 2.72 0.041 60. BD ( 1) S 3- S 4 129. RY (11)Tc 1 0.20 4.04 0.036 60. BD ( 1) S 3- S 4 132. RY (14)Tc 1 0.05 5.70 0.022 60. BD ( 1) S 3- S 4 135. RY (17)Tc 1 0.13 3.04 0.025 60. BD ( 1) S 3- S 4 138. RY (20)Tc 1 0.23 5.13 0.043 60. BD ( 1) S 3- S 4 139. RY (21)Tc 1 0.03 3.51 0.014 60. BD ( 1) S 3- S 4 192. RY (74)Tc 1 0.07 5.83 0.025 60. BD ( 1) S 3- S 4 658. RY ( 1) P 10 0.04 2.11 0.012 60. BD ( 1) S 3- S 4 662. RY ( 5) P 10 0.07 2.40 0.016 60. BD ( 1) S 3- S 4 665. RY ( 8) P 10 0.05 2.86 0.015 60. BD ( 1) S 3- S 4 667. RY (10) P 10 0.03 2.94 0.011 60. BD ( 1) S 3- S 4 674. RY (17) P 10 0.03 3.55 0.014 60. BD ( 1) S 3- S 4 675. RY (18) P 10 0.03 2.87 0.012 60. BD ( 1) S 3- S 4 676. RY (19) P 10 0.07 5.10 0.023 60. BD ( 1) S 3- S 4 719. RY ( 1) C 11 0.03 2.62 0.011 60. BD ( 1) S 3- S 4 771. RY ( 1) C 12 0.03 1.98 0.009 60. BD ( 1) S 3- S 4 875. RY ( 1) C 14 0.03 2.09 0.009 61. BD ( 1) S 4- S 5 87. LV ( 1)Tc 1 0.14 1.14 0.016 61. BD ( 1) S 4- S 5 88. BD*( 1)Tc 1- P 10 0.07 0.59 0.008 61. BD ( 1) S 4- S 5 115. 3Cn( 1)Tc1-C12-C13 0.19 0.57 0.013 61. BD ( 1) S 4- S 5 116. 3Cn( 1)Tc1-C14-C15 0.34 0.56 0.017 61. BD ( 1) S 4- S 5 117. 3C*( 1)Tc1-C12-C13 0.10 0.57 0.010 61. BD ( 1) S 4- S 5 118. 3C*( 1)Tc1-C14-C15 0.18 0.56 0.013 61. BD ( 1) S 4- S 5 119. RY ( 1)Tc 1 0.33 2.88 0.039 61. BD ( 1) S 4- S 5 120. RY ( 2)Tc 1 0.21 3.10 0.032 61. BD ( 1) S 4- S 5 122. RY ( 4)Tc 1 0.03 1.79 0.009 61. BD ( 1) S 4- S 5 125. RY ( 7)Tc 1 0.03 3.27 0.012 61. BD ( 1) S 4- S 5 126. RY ( 8)Tc 1 0.36 2.72 0.039 61. BD ( 1) S 4- S 5 128. RY (10)Tc 1 0.04 2.84 0.013 61. BD ( 1) S 4- S 5 129. RY (11)Tc 1 0.15 4.04 0.031 61. BD ( 1) S 4- S 5 133. RY (15)Tc 1 0.04 3.01 0.013 61. BD ( 1) S 4- S 5 134. RY (16)Tc 1 0.07 2.61 0.017 61. BD ( 1) S 4- S 5 135. RY (17)Tc 1 0.15 3.04 0.027 61. BD ( 1) S 4- S 5 138. RY (20)Tc 1 0.18 5.13 0.038 61. BD ( 1) S 4- S 5 139. RY (21)Tc 1 0.04 3.51 0.015 61. BD ( 1) S 4- S 5 142. RY (24)Tc 1 0.03 3.84 0.014 61. BD ( 1) S 4- S 5 192. RY (74)Tc 1 0.07 5.83 0.025 61. BD ( 1) S 4- S 5 658. RY ( 1) P 10 0.04 2.11 0.012 61. BD ( 1) S 4- S 5 662. RY ( 5) P 10 0.06 2.40 0.015 61. BD ( 1) S 4- S 5 665. RY ( 8) P 10 0.06 2.86 0.016 61. BD ( 1) S 4- S 5 667. RY (10) P 10 0.03 2.94 0.011 61. BD ( 1) S 4- S 5 674. RY (17) P 10 0.04 3.55 0.015 61. BD ( 1) S 4- S 5 675. RY (18) P 10 0.03 2.87 0.012 61. BD ( 1) S 4- S 5 676. RY (19) P 10 0.06 5.09 0.023 61. BD ( 1) S 4- S 5 719. RY ( 1) C 11 0.03 2.62 0.011 61. BD ( 1) S 4- S 5 927. RY ( 1) C 15 0.04 2.06 0.011 62. BD ( 1) S 5- S 6 87. LV ( 1)Tc 1 0.35 1.13 0.025 62. BD ( 1) S 5- S 6 115. 3Cn( 1)Tc1-C12-C13 0.03 0.56 0.005 62. BD ( 1) S 5- S 6 116. 3Cn( 1)Tc1-C14-C15 1.04 0.55 0.030 62. BD ( 1) S 5- S 6 118. 3C*( 1)Tc1-C14-C15 0.91 0.55 0.028 62. BD ( 1) S 5- S 6 119. RY ( 1)Tc 1 0.63 2.86 0.054 62. BD ( 1) S 5- S 6 120. RY ( 2)Tc 1 0.08 3.09 0.019 62. BD ( 1) S 5- S 6 121. RY ( 3)Tc 1 1.24 3.19 0.079 62. BD ( 1) S 5- S 6 122. RY ( 4)Tc 1 0.30 1.78 0.029 62. BD ( 1) S 5- S 6 123. RY ( 5)Tc 1 0.05 2.15 0.014 62. BD ( 1) S 5- S 6 124. RY ( 6)Tc 1 0.09 3.53 0.023 62. BD ( 1) S 5- S 6 125. RY ( 7)Tc 1 0.05 3.26 0.016 62. BD ( 1) S 5- S 6 126. RY ( 8)Tc 1 0.19 2.71 0.029 62. BD ( 1) S 5- S 6 128. RY (10)Tc 1 0.06 2.83 0.017 62. BD ( 1) S 5- S 6 134. RY (16)Tc 1 0.06 2.60 0.016 62. BD ( 1) S 5- S 6 136. RY (18)Tc 1 0.05 2.67 0.015 62. BD ( 1) S 5- S 6 137. RY (19)Tc 1 0.05 3.33 0.015 62. BD ( 1) S 5- S 6 140. RY (22)Tc 1 0.03 3.48 0.013 62. BD ( 1) S 5- S 6 663. RY ( 6) P 10 0.03 1.83 0.009 62. BD ( 1) S 5- S 6 727. RY ( 9) C 11 0.03 3.01 0.011 62. BD ( 1) S 5- S 6 875. RY ( 1) C 14 0.10 2.08 0.018 within unit 2 45. LP ( 1) S 2 260. RY ( 3) S 3 0.28 1.09 0.022 46. LP ( 2) S 2 90. BD*( 1) S 3- S 4 3.20 0.27 0.037 46. LP ( 2) S 2 201. RY ( 5) S 2 0.81 3.25 0.065 46. LP ( 2) S 2 204. RY ( 8) S 2 1.71 3.20 0.093 46. LP ( 2) S 2 258. RY ( 1) S 3 1.44 0.91 0.046 46. LP ( 2) S 2 445. RY ( 5) S 6 0.48 3.14 0.049 46. LP ( 2) S 2 446. RY ( 6) S 6 0.36 2.58 0.038 46. LP ( 2) S 2 448. RY ( 8) S 6 0.45 2.86 0.045 47. LP ( 3) S 2 89. BD*( 1) S 2- S 3 3.96 0.27 0.042 47. LP ( 3) S 2 197. RY ( 1) S 2 1.19 1.13 0.046 47. LP ( 3) S 2 198. RY ( 2) S 2 5.75 1.32 0.110 47. LP ( 3) S 2 199. RY ( 3) S 2 0.51 1.37 0.033 47. LP ( 3) S 2 201. RY ( 5) S 2 9.43 3.26 0.221 47. LP ( 3) S 2 202. RY ( 6) S 2 4.18 2.41 0.127 47. LP ( 3) S 2 204. RY ( 8) S 2 12.27 3.20 0.250 47. LP ( 3) S 2 208. RY (12) S 2 0.29 2.19 0.032 47. LP ( 3) S 2 209. RY (13) S 2 0.60 1.61 0.039 47. LP ( 3) S 2 211. RY (15) S 2 1.50 2.84 0.082 47. LP ( 3) S 2 213. RY (17) S 2 1.78 2.93 0.091 47. LP ( 3) S 2 216. RY (20) S 2 0.88 2.93 0.064 47. LP ( 3) S 2 260. RY ( 3) S 3 1.26 0.85 0.041 47. LP ( 3) S 2 442. RY ( 2) S 6 2.24 1.35 0.069 47. LP ( 3) S 2 443. RY ( 3) S 6 1.08 1.44 0.050 47. LP ( 3) S 2 445. RY ( 5) S 6 6.62 3.14 0.182 47. LP ( 3) S 2 446. RY ( 6) S 6 3.39 2.59 0.118 47. LP ( 3) S 2 448. RY ( 8) S 6 5.47 2.87 0.158 47. LP ( 3) S 2 452. RY (12) S 6 0.32 2.27 0.034 47. LP ( 3) S 2 455. RY (15) S 6 0.39 3.36 0.046 47. LP ( 3) S 2 459. RY (19) S 6 0.52 2.70 0.047 47. LP ( 3) S 2 460. RY (20) S 6 0.35 3.34 0.043 49. LP ( 2) S 3 91. BD*( 1) S 4- S 5 3.78 0.29 0.042 49. LP ( 2) S 3 197. RY ( 1) S 2 0.53 1.15 0.031 49. LP ( 2) S 3 198. RY ( 2) S 2 0.54 1.34 0.034 49. LP ( 2) S 3 263. RY ( 6) S 3 0.45 1.84 0.036 49. LP ( 2) S 3 319. RY ( 1) S 4 1.45 1.00 0.048 49. LP ( 2) S 3 320. RY ( 2) S 4 0.33 0.92 0.022 51. LP ( 2) S 4 89. BD*( 1) S 2- S 3 2.89 0.30 0.037 51. LP ( 2) S 4 92. BD*( 1) S 5- S 6 2.76 0.31 0.037 51. LP ( 2) S 4 258. RY ( 1) S 3 1.28 0.95 0.044 51. LP ( 2) S 4 259. RY ( 2) S 3 0.37 0.92 0.023 51. LP ( 2) S 4 324. RY ( 6) S 4 0.25 1.96 0.028 51. LP ( 2) S 4 380. RY ( 1) S 5 1.28 0.95 0.044 51. LP ( 2) S 4 381. RY ( 2) S 5 0.37 0.92 0.023 53. LP ( 2) S 5 90. BD*( 1) S 3- S 4 3.73 0.29 0.041 53. LP ( 2) S 5 319. RY ( 1) S 4 1.39 1.00 0.047 53. LP ( 2) S 5 320. RY ( 2) S 4 0.35 0.92 0.023 53. LP ( 2) S 5 385. RY ( 6) S 5 0.43 1.80 0.035 53. LP ( 2) S 5 441. RY ( 1) S 6 0.57 1.15 0.032 53. LP ( 2) S 5 442. RY ( 2) S 6 0.54 1.37 0.034 54. LP ( 1) S 6 382. RY ( 3) S 5 0.28 1.08 0.022 55. LP ( 2) S 6 91. BD*( 1) S 4- S 5 3.19 0.27 0.037 55. LP ( 2) S 6 201. RY ( 5) S 2 0.42 3.25 0.047 55. LP ( 2) S 6 204. RY ( 8) S 2 0.37 3.20 0.044 55. LP ( 2) S 6 380. RY ( 1) S 5 1.43 0.92 0.046 55. LP ( 2) S 6 442. RY ( 2) S 6 0.29 1.35 0.025 55. LP ( 2) S 6 445. RY ( 5) S 6 0.81 3.14 0.064 55. LP ( 2) S 6 448. RY ( 8) S 6 1.49 2.86 0.082 56. LP ( 3) S 6 92. BD*( 1) S 5- S 6 4.32 0.28 0.044 56. LP ( 3) S 6 198. RY ( 2) S 2 1.46 1.32 0.055 56. LP ( 3) S 6 199. RY ( 3) S 2 1.51 1.37 0.057 56. LP ( 3) S 6 201. RY ( 5) S 2 7.21 3.26 0.193 56. LP ( 3) S 6 202. RY ( 6) S 2 2.34 2.41 0.095 56. LP ( 3) S 6 204. RY ( 8) S 2 5.97 3.20 0.175 56. LP ( 3) S 6 208. RY (12) S 2 0.30 2.19 0.033 56. LP ( 3) S 6 211. RY (15) S 2 0.36 2.84 0.040 56. LP ( 3) S 6 213. RY (17) S 2 0.80 2.93 0.061 56. LP ( 3) S 6 216. RY (20) S 2 0.34 2.93 0.040 56. LP ( 3) S 6 382. RY ( 3) S 5 1.20 0.84 0.040 56. LP ( 3) S 6 441. RY ( 1) S 6 1.31 1.13 0.049 56. LP ( 3) S 6 442. RY ( 2) S 6 6.97 1.35 0.123 56. LP ( 3) S 6 443. RY ( 3) S 6 0.32 1.44 0.027 56. LP ( 3) S 6 445. RY ( 5) S 6 9.99 3.15 0.224 56. LP ( 3) S 6 446. RY ( 6) S 6 5.24 2.59 0.147 56. LP ( 3) S 6 448. RY ( 8) S 6 12.07 2.87 0.235 56. LP ( 3) S 6 452. RY (12) S 6 0.82 2.27 0.055 56. LP ( 3) S 6 455. RY (15) S 6 1.29 3.36 0.083 56. LP ( 3) S 6 457. RY (17) S 6 0.59 2.61 0.049 56. LP ( 3) S 6 459. RY (19) S 6 0.74 2.70 0.056 56. LP ( 3) S 6 460. RY (20) S 6 0.98 3.34 0.072 56. LP ( 3) S 6 483. RY (43) S 6 0.30 3.08 0.039 59. BD ( 1) S 2- S 3 90. BD*( 1) S 3- S 4 0.48 0.54 0.020 59. BD ( 1) S 2- S 3 322. RY ( 4) S 4 0.25 1.21 0.022 60. BD ( 1) S 3- S 4 91. BD*( 1) S 4- S 5 0.35 0.55 0.018 60. BD ( 1) S 3- S 4 200. RY ( 4) S 2 0.65 1.62 0.041 60. BD ( 1) S 3- S 4 383. RY ( 4) S 5 0.43 1.29 0.030 61. BD ( 1) S 4- S 5 90. BD*( 1) S 3- S 4 0.35 0.55 0.018 61. BD ( 1) S 4- S 5 261. RY ( 4) S 3 0.45 1.30 0.030 61. BD ( 1) S 4- S 5 443. RY ( 3) S 6 0.36 1.72 0.031 61. BD ( 1) S 4- S 5 444. RY ( 4) S 6 0.46 1.50 0.033 62. BD ( 1) S 5- S 6 91. BD*( 1) S 4- S 5 0.48 0.54 0.020 62. BD ( 1) S 5- S 6 322. RY ( 4) S 4 0.25 1.21 0.022 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C8H14PTc) ------ Lewis -------------------------------------- 1. CR ( 1)Tc 1 0.99997 -2.79256 2. CR ( 2)Tc 1 0.99991 -1.70059 3. CR ( 3)Tc 1 0.99990 -1.72008 4. CR ( 4)Tc 1 0.99990 -1.72225 30. CR ( 1) C 7 0.99999 -10.19389 31. CR ( 1) C 8 0.99999 -10.18990 32. CR ( 1) C 9 0.99999 -10.19906 33. CR ( 1) P 10 1.00000 -72.78063 34. CR ( 2) P 10 1.00000 -10.68411 35. CR ( 3) P 10 1.00000 -4.70738 36. CR ( 4) P 10 1.00000 -4.70919 37. CR ( 5) P 10 1.00000 -4.71044 38. CR ( 1) C 11 0.99999 -10.20899 39. CR ( 1) C 12 0.99999 -10.21695 40. CR ( 1) C 13 0.99999 -10.21799 41. CR ( 1) C 14 0.99999 -10.21502 42. CR ( 1) C 15 0.99999 -10.21614 43. LP ( 1)Tc 1 0.92996 -0.19090 658(v),117(g),88(g),118(g) 87(g),97(v),120(g),665(v) 201(r),126(g),132(g),445(r) 138(g),204(r),448(r),124(g) 676(v),131(g),101(v),192(g) 446(r),441(r),927(v),773(v) 199(r),202(r),929(v),125(g) 197(r),662(v),771(v),442(r) 130(g),111(v),719(r),113(v) 674(v),443(r),129(g),721(r) 107(r),114(v),152(g),669(v) 109(v),156(g),678(v),663(v) 198(r),141(g),164(g),169(g) 161(g),92(r),208(r),89(r) 444(r),216(r),261(r),453(r) 383(r),211(r),455(r),213(r) 460(r),382(r),260(r),200(r) 457(r),91(r),452(r),90(r) 269(r),385(r),483(r),263(r) 210(r),468(r),391(r) 44. LP ( 2)Tc 1 0.88444 -0.18572 118(g),117(g),116(g),89(r) 93(v),92(r),115(g),659(v) 927(v),197(r),771(v),664(v) 441(r),101(v),97(v),875(v) 823(v),262(r),384(r),205(r) 260(r),443(r),382(r),263(r) 385(r),449(r),453(r),209(r) 203(r),198(r),266(r),447(r) 388(r),445(r),304(r),199(r) 250(r),289(r),411(r) 57. LP ( 1) C 11 0.51352 -0.12669 88(r),118(v),117(v),116(v) 115(v),87(r),722(g),105(g) 106(g),120(r),774(v),138(r) 930(v),728(g),730(g),124(r) 927(v),726(g),132(r),771(v) 119(r),676(r),662(r),201(r) 445(r),129(r),204(r),721(g) 125(r),131(r),1242(v) 448(r),723(g),665(r),778(v) 752(g),192(r),446(r),934(v) 141(r),126(r),1243(v) 127(r),938(v),202(r) 1244(v),783(v),151(r) 674(r),442(r),199(r),213(r) 443(r),198(r),89(r),264(r) 386(r),459(r),92(r),380(r) 216(r),258(r),460(r),211(r) 455(r) 58. BD ( 1)Tc 1- P 10 0.97834 -0.36028 875(v),119(g),201(r),445(r) 102(v),94(v),98(v),132(g) 116(g),101(g),115(g),823(v) 448(r),93(g),204(r),92(r) 719(r),120(g),89(r),97(g) 446(r),131(g),138(g),202(r) 87(g),126(g),554(v),140(g) 199(r),443(r),264(r),205(r) 208(r),386(r),207(r),263(r) 449(r),267(r),258(r),269(r) 380(r),442(r),385(r),459(r) 63. BD ( 1) C 7- P 10 0.98964 -0.47727 554(v),606(v),103(v),100(v) 101(g),97(g),88(g),981(v) 677(g),1039(v),561(v) 555(v),613(v),441(r),210(r) 205(r),92(r),446(r) 64. BD ( 1) C 7- H 16 0.99396 -0.47198 88(v),1037(v),1008(v) 65. BD ( 1) C 7- H 17 0.99300 -0.46986 97(v),980(v),660(v) 66. BD ( 1) C 7- H 18 0.99178 -0.46841 101(v),660(v),980(v),92(r) 445(r) 67. BD ( 1) C 8- P 10 0.99002 -0.47647 606(v),502(v),104(v),95(v) 665(g),93(g),101(g),88(g) 613(v),1068(v),131(v) 137(v),509(v),1125(v) 504(v),677(g),142(v),202(r) 446(r),197(r) 68. BD ( 1) C 8- H 19 0.99405 -0.46867 88(v),1095(v),1124(v) 69. BD ( 1) C 8- H 20 0.99241 -0.46181 101(v),1067(v),661(v) 1124(v) 70. BD ( 1) C 8- H 21 0.99185 -0.46489 93(v),1067(v),660(v),89(r) 71. BD ( 1) C 9- P 10 0.98986 -0.48050 502(v),554(v),663(g),96(v) 97(g),99(v),93(g),88(g) 509(v),131(v),677(g) 1155(v),142(v),713(g) 503(v),1212(v),561(v) 72. BD ( 1) C 9- H 22 0.99403 -0.47597 88(v),1182(v),1211(v) 660(v) 73. BD ( 1) C 9- H 23 0.99320 -0.47403 93(v),661(v),1154(v) 1211(v) 74. BD ( 1) C 9- H 24 0.99268 -0.47568 97(v),661(v),1154(v) 75. BD ( 1) C 11- C 12 0.98715 -0.56319 88(v),114(v),111(v),117(g) 928(v),824(v),825(v) 1270(v),927(v),1242(v) 76. BD ( 1) C 11- C 15 0.98668 -0.56460 88(v),109(v),113(v),118(g) 772(v),876(v),771(v),877(v) 1328(v) 77. BD ( 1) C 11- H 25 0.99093 -0.48227 88(r),112(v),108(v),929(v) 773(v),932(v),776(v),939(v) 78. BD ( 1) C 12- C 13 0.98667 -0.55573 107(v),113(v),720(v),876(v) 1299(v),87(v),1271(v) 115(g),1269(v),199(r) 79. BD ( 1) C 12- H 26 0.99073 -0.48559 106(v),110(v),721(v),87(v) 825(v),117(g),824(v),830(v) 80. BD ( 1) C 13- C 14 0.98276 -0.53897 116(g),115(g),109(v),114(v) 928(v),772(v),118(g),117(g) 1357(v),1300(v) 81. BD ( 1) C 13- H 27 0.99109 -0.49151 115(g),105(v),112(v),877(v) 773(v),881(v),778(v),771(v) 82. BD ( 1) C 14- C 15 0.98663 -0.55595 107(v),111(v),824(v),720(v) 1329(v),87(v),1358(v) 116(g) 83. BD ( 1) C 14- H 29 0.99072 -0.48907 116(g),106(v),108(v),825(v) 929(v),829(v),932(v),934(v) 87(v) 84. BD ( 1) C 15- H 28 0.99086 -0.48504 110(v),105(v),721(v),877(v) 87(v),118(g) 85. 3C ( 1)Tc 1- C 12- C 13 0.91554 -0.32353 118(g),88(g),87(g),116(g) 120(g),138(g),132(g),125(g) 119(g),445(r),124(g),204(r) 448(r),676(v),115(g),129(g) 662(v),131(g),201(r),665(v) 126(g),927(v),719(v),110(g) 446(r),192(g),130(g),141(g) 674(v),773(g),678(v),146(g) 675(v),929(v),127(g),169(g) 875(v),117(g),161(g),151(g) 152(g),722(v),189(g),139(g) 167(g),202(r),442(r),658(v) 164(g),170(g),668(v),121(g) 671(v),878(v),728(v),156(g) 168(g),823(g),771(g),105(g) 113(v),667(v),134(g),825(g) 721(v),163(g),145(g),730(v) 174(g),177(g),889(v),109(g) 185(g),213(r),937(v),669(v) 198(r),97(v),879(v),193(g) 723(v),111(g),877(v),443(r) 165(g),1272(v),157(g) 781(g),166(g),147(g),158(g) 122(g),935(v),459(r),928(v) 135(g),1301(v),455(r) 191(g),144(g),171(g),833(g) 606(r),660(v),1066(r) 554(r),882(v),211(r),460(r) 386(r),233(r),216(r),441(r) 452(r),203(r),444(r),447(r) 450(r),208(r),324(r),199(r) 393(r),332(r),261(r),269(r) 483(r),384(r),383(r),264(r) 457(r),480(r),212(r),205(r) 319(r),322(r),229(r),237(r) 381(r),209(r),470(r),389(r) 268(r),388(r),227(r),328(r) 449(r),200(r),215(r),421(r) 197(r),259(r),267(r) 86. 3C ( 1)Tc 1- C 14- C 15 0.91473 -0.32130 117(g),87(g),120(g),88(g) 115(g),138(g),132(g),201(r) 119(g),125(g),124(g),204(r) 448(r),676(v),131(g),662(v) 116(g),445(r),129(g),665(v) 126(g),110(g),719(v),192(g) 141(g),771(v),674(v),202(r) 130(g),127(g),773(v),151(g) 929(g),675(v),139(g),446(r) 169(g),146(g),678(v),875(g) 722(v),927(g),161(g),152(g) 167(g),118(g),189(g),156(g) 658(v),823(v),164(g),728(v) 668(v),671(v),442(r),168(g) 170(g),199(r),111(v),147(g) 667(v),106(g),163(g),827(v) 772(v),185(g),877(g),721(v) 177(g),128(g),730(v),669(v) 174(g),122(g),198(r),114(g) 145(g),144(g),193(g),134(g) 166(g),781(v),121(g),937(g) 825(v),213(r),723(v),113(g) 1330(v),666(v),826(v) 836(v),135(g),165(g),157(g) 1359(v),211(r),158(g) 171(g),459(r),824(v),502(r) 680(v),455(r),97(v),460(r) 216(r),452(r),264(r),483(r) 203(r),262(r),197(r),450(r) 480(r),324(r),332(r),233(r) 383(r),269(r),457(r),447(r) 386(r),261(r),470(r),212(r) 441(r),271(r),200(r),209(r) 208(r),322(r),389(r),259(r) 443(r),319(r),206(r),215(r) 207(r),390(r),391(r),329(r) 266(r),229(r),237(r),380(r) 210(r),393(r) ------ non-Lewis ---------------------------------- 87. LV ( 1)Tc 1 0.32601 0.63050 88. BD*( 1)Tc 1- P 10 0.22062 0.07974 93. BD*( 1) C 7- P 10 0.03391 0.19396 94. BD*( 1) C 7- H 16 0.00497 0.34817 95. BD*( 1) C 7- H 17 0.00254 0.34953 96. BD*( 1) C 7- H 18 0.00300 0.35886 97. BD*( 1) C 8- P 10 0.03095 0.19774 98. BD*( 1) C 8- H 19 0.00434 0.35053 99. BD*( 1) C 8- H 20 0.00250 0.36083 100. BD*( 1) C 8- H 21 0.00258 0.36006 101. BD*( 1) C 9- P 10 0.03134 0.19506 102. BD*( 1) C 9- H 22 0.00481 0.34643 103. BD*( 1) C 9- H 23 0.00244 0.35036 104. BD*( 1) C 9- H 24 0.00268 0.34129 105. BD*( 1) C 11- C 12 0.00794 0.46096 106. BD*( 1) C 11- C 15 0.00788 0.46468 107. BD*( 1) C 11- H 25 0.00699 0.41527 108. BD*( 1) C 12- C 13 0.01097 0.44236 109. BD*( 1) C 12- H 26 0.00772 0.40062 110. BD*( 1) C 13- C 14 0.01647 0.42074 111. BD*( 1) C 13- H 27 0.00889 0.38882 112. BD*( 1) C 14- C 15 0.01059 0.44680 113. BD*( 1) C 14- H 29 0.00842 0.39443 114. BD*( 1) C 15- H 28 0.00783 0.40169 115. 3Cn( 1)Tc 1- C 12- C 13 0.33936 0.05820 116. 3Cn( 1)Tc 1- C 14- C 15 0.34635 0.04779 117. 3C*( 1)Tc 1- C 12- C 13 0.19577 0.06121 118. 3C*( 1)Tc 1- C 14- C 15 0.19693 0.05411 119. RY ( 1)Tc 1 0.00790 2.36622 120. RY ( 2)Tc 1 0.00367 2.58877 121. RY ( 3)Tc 1 0.00355 2.69044 122. RY ( 4)Tc 1 0.00227 1.27765 123. RY ( 5)Tc 1 0.00199 1.64765 124. RY ( 6)Tc 1 0.00183 3.02767 125. RY ( 7)Tc 1 0.00174 2.76328 126. RY ( 8)Tc 1 0.00147 2.20959 127. RY ( 9)Tc 1 0.00106 2.12140 128. RY (10)Tc 1 0.00096 2.32903 129. RY (11)Tc 1 0.00087 3.52642 130. RY (12)Tc 1 0.00065 3.32330 131. RY (13)Tc 1 0.00057 5.75511 132. RY (14)Tc 1 0.00045 5.18966 133. RY (15)Tc 1 0.00040 2.49993 134. RY (16)Tc 1 0.00037 2.09818 135. RY (17)Tc 1 0.00029 2.53499 136. RY (18)Tc 1 0.00025 2.17196 137. RY (19)Tc 1 0.00022 2.83619 138. RY (20)Tc 1 0.00017 4.62132 139. RY (21)Tc 1 0.00013 3.00504 140. RY (22)Tc 1 0.00012 2.98231 141. RY (23)Tc 1 0.00010 3.42383 142. RY (24)Tc 1 0.00008 3.33459 143. RY (25)Tc 1 0.00006 2.37456 144. RY (26)Tc 1 0.00005 2.62023 145. RY (27)Tc 1 0.00004 2.70833 146. RY (28)Tc 1 0.00003 3.99910 147. RY (29)Tc 1 0.00003 3.32774 148. RY (30)Tc 1 0.00002 3.34390 149. RY (31)Tc 1 0.00002 3.62058 150. RY (32)Tc 1 0.00001 3.93806 151. RY (33)Tc 1 0.00001 4.46682 152. RY (34)Tc 1 0.00001 5.12927 153. RY (35)Tc 1 0.00000 3.73246 154. RY (36)Tc 1 0.00000 3.76377 155. RY (37)Tc 1 0.00001 4.27727 156. RY (38)Tc 1 0.00001 3.38617 157. RY (39)Tc 1 0.00000 5.34760 158. RY (40)Tc 1 0.00000 5.83849 159. RY (41)Tc 1 0.00000 4.17290 160. RY (42)Tc 1 0.00000 4.26382 161. RY (43)Tc 1 0.00000 3.77370 162. RY (44)Tc 1 0.00000 4.52099 163. RY (45)Tc 1 0.00000 5.17509 164. RY (46)Tc 1 0.00000 11.62806 165. RY (47)Tc 1 0.00000 11.90305 166. RY (48)Tc 1 0.00000 8.01968 167. RY (49)Tc 1 0.00000 8.43563 168. RY (50)Tc 1 0.00000 9.88923 169. RY (51)Tc 1 0.00000 23.52763 170. RY (52)Tc 1 0.00000 13.94179 171. RY (53)Tc 1 0.00000 6.72450 172. RY (54)Tc 1 0.00000 4.29239 173. RY (55)Tc 1 0.00000 5.47020 174. RY (56)Tc 1 0.00000 7.76956 175. RY (57)Tc 1 0.00000 11.23088 176. RY (58)Tc 1 0.00000 4.34456 177. RY (59)Tc 1 0.00000 5.11454 178. RY (60)Tc 1 0.00000 5.11342 179. RY (61)Tc 1 0.00000 3.81629 180. RY (62)Tc 1 0.00000 3.28491 181. RY (63)Tc 1 0.00000 4.36780 182. RY (64)Tc 1 0.00000 5.02120 183. RY (65)Tc 1 0.00000 5.49985 184. RY (66)Tc 1 0.00000 4.61512 185. RY (67)Tc 1 0.00000 4.12620 186. RY (68)Tc 1 0.00000 4.97631 187. RY (69)Tc 1 0.00000 4.42086 188. RY (70)Tc 1 0.00000 3.88282 189. RY (71)Tc 1 0.00000 5.27756 190. RY (72)Tc 1 0.00000 3.30029 191. RY (73)Tc 1 0.00000 4.38511 192. RY (74)Tc 1 0.00000 5.31762 193. RY (75)Tc 1 0.00000 3.97949 194. RY (76)Tc 1 0.00000 3.41292 195. RY (77)Tc 1 0.00000 4.76712 196. RY (78)Tc 1 0.00000 4.25620 502. RY ( 1) C 7 0.00127 2.66987 503. RY ( 2) C 7 0.00052 1.96732 504. RY ( 3) C 7 0.00027 1.35380 505. RY ( 4) C 7 0.00018 1.49897 506. RY ( 5) C 7 0.00011 1.32011 507. RY ( 6) C 7 0.00009 1.58320 508. RY ( 7) C 7 0.00008 1.50500 509. RY ( 8) C 7 0.00005 1.29993 510. RY ( 9) C 7 0.00002 2.52936 511. RY (10) C 7 0.00002 2.54493 512. RY (11) C 7 0.00001 2.38249 513. RY (12) C 7 0.00001 2.29325 514. RY (13) C 7 0.00001 2.45914 515. RY (14) C 7 0.00001 2.91404 516. RY (15) C 7 0.00000 3.20987 517. RY (16) C 7 0.00000 6.56101 518. RY (17) C 7 0.00000 8.05862 519. RY (18) C 7 0.00000 6.49310 520. RY (19) C 7 0.00000 7.15687 521. RY (20) C 7 0.00000 7.30832 522. RY (21) C 7 0.00000 7.85300 523. RY (22) C 7 0.00000 7.07205 524. RY (23) C 7 0.00000 6.70532 525. RY (24) C 7 0.00000 7.88083 526. RY (25) C 7 0.00000 6.05060 527. RY (26) C 7 0.00000 6.69641 528. RY (27) C 7 0.00000 7.52688 529. RY (28) C 7 0.00000 6.95832 530. RY (29) C 7 0.00000 7.03148 531. RY (30) C 7 0.00000 7.33683 532. RY (31) C 7 0.00000 6.33858 533. RY (32) C 7 0.00000 5.42844 534. RY (33) C 7 0.00000 4.60997 535. RY (34) C 7 0.00000 5.49662 536. RY (35) C 7 0.00000 4.64559 537. RY (36) C 7 0.00000 5.06063 538. RY (37) C 7 0.00000 4.64119 539. RY (38) C 7 0.00000 5.24545 540. RY (39) C 7 0.00000 3.53255 541. RY (40) C 7 0.00000 3.02089 542. RY (41) C 7 0.00000 2.95538 543. RY (42) C 7 0.00000 116.68886 544. RY (43) C 7 0.00000 7.67775 545. RY (44) C 7 0.00000 7.24873 546. RY (45) C 7 0.00000 14.62646 547. RY (46) C 7 0.00000 7.05994 548. RY (47) C 7 0.00000 7.75262 549. RY (48) C 7 0.00000 7.05346 550. RY (49) C 7 0.00000 8.05080 551. RY (50) C 7 0.00000 7.46166 552. RY (51) C 7 0.00000 8.35982 553. RY (52) C 7 0.00000 6.81456 554. RY ( 1) C 8 0.00133 2.39341 555. RY ( 2) C 8 0.00055 1.97297 556. RY ( 3) C 8 0.00029 1.22862 557. RY ( 4) C 8 0.00023 1.46411 558. RY ( 5) C 8 0.00013 1.63612 559. RY ( 6) C 8 0.00011 1.42255 560. RY ( 7) C 8 0.00006 1.63089 561. RY ( 8) C 8 0.00004 1.46763 562. RY ( 9) C 8 0.00002 2.25862 563. RY (10) C 8 0.00002 2.19352 564. RY (11) C 8 0.00002 2.25663 565. RY (12) C 8 0.00001 2.68466 566. RY (13) C 8 0.00001 2.99333 567. RY (14) C 8 0.00000 3.52641 568. RY (15) C 8 0.00000 6.69587 569. RY (16) C 8 0.00000 3.27756 570. RY (17) C 8 0.00000 7.53437 571. RY (18) C 8 0.00000 6.92919 572. RY (19) C 8 0.00000 7.45834 573. RY (20) C 8 0.00000 7.60036 574. RY (21) C 8 0.00000 8.36001 575. RY (22) C 8 0.00000 8.44284 576. RY (23) C 8 0.00000 6.88299 577. RY (24) C 8 0.00000 6.98758 578. RY (25) C 8 0.00000 6.38037 579. RY (26) C 8 0.00000 6.90985 580. RY (27) C 8 0.00000 6.25326 581. RY (28) C 8 0.00000 6.34113 582. RY (29) C 8 0.00000 6.40014 583. RY (30) C 8 0.00000 6.81460 584. RY (31) C 8 0.00000 5.78904 585. RY (32) C 8 0.00000 4.99828 586. RY (33) C 8 0.00000 5.37575 587. RY (34) C 8 0.00000 4.94033 588. RY (35) C 8 0.00000 6.08144 589. RY (36) C 8 0.00000 5.57285 590. RY (37) C 8 0.00000 3.60911 591. RY (38) C 8 0.00000 4.04852 592. RY (39) C 8 0.00000 4.05110 593. RY (40) C 8 0.00000 2.64267 594. RY (41) C 8 0.00000 2.87532 595. RY (42) C 8 0.00000 104.44641 596. RY (43) C 8 0.00000 11.91732 597. RY (44) C 8 0.00000 7.71230 598. RY (45) C 8 0.00000 14.70157 599. RY (46) C 8 0.00000 10.27320 600. RY (47) C 8 0.00000 10.43091 601. RY (48) C 8 0.00000 7.27799 602. RY (49) C 8 0.00000 9.15792 603. RY (50) C 8 0.00000 7.85918 604. RY (51) C 8 0.00000 7.98487 605. RY (52) C 8 0.00000 7.38874 606. RY ( 1) C 9 0.00106 2.76821 607. RY ( 2) C 9 0.00054 1.91833 608. RY ( 3) C 9 0.00027 1.28813 609. RY ( 4) C 9 0.00018 1.22716 610. RY ( 5) C 9 0.00016 1.56228 611. RY ( 6) C 9 0.00011 1.68565 612. RY ( 7) C 9 0.00006 1.65204 613. RY ( 8) C 9 0.00004 1.07593 614. RY ( 9) C 9 0.00002 2.02847 615. RY (10) C 9 0.00002 2.85104 616. RY (11) C 9 0.00001 3.13825 617. RY (12) C 9 0.00001 2.31833 618. RY (13) C 9 0.00000 3.26660 619. RY (14) C 9 0.00001 2.75831 620. RY (15) C 9 0.00000 4.04917 621. RY (16) C 9 0.00000 5.62249 622. RY (17) C 9 0.00000 6.95850 623. RY (18) C 9 0.00000 7.17340 624. RY (19) C 9 0.00000 7.54378 625. RY (20) C 9 0.00000 6.98990 626. RY (21) C 9 0.00000 8.42802 627. RY (22) C 9 0.00000 6.80694 628. RY (23) C 9 0.00000 6.67972 629. RY (24) C 9 0.00000 6.51356 630. RY (25) C 9 0.00000 6.63175 631. RY (26) C 9 0.00000 6.99070 632. RY (27) C 9 0.00000 8.02987 633. RY (28) C 9 0.00000 7.42459 634. RY (29) C 9 0.00000 6.93759 635. RY (30) C 9 0.00000 5.51540 636. RY (31) C 9 0.00000 6.98958 637. RY (32) C 9 0.00000 5.79577 638. RY (33) C 9 0.00000 5.33238 639. RY (34) C 9 0.00000 4.00331 640. RY (35) C 9 0.00000 6.22413 641. RY (36) C 9 0.00000 3.90822 642. RY (37) C 9 0.00000 6.25505 643. RY (38) C 9 0.00000 4.54718 644. RY (39) C 9 0.00000 3.25594 645. RY (40) C 9 0.00000 3.43557 646. RY (41) C 9 0.00000 3.16421 647. RY (42) C 9 0.00000 3.30711 648. RY (43) C 9 0.00000 63.84134 649. RY (44) C 9 0.00000 50.69159 650. RY (45) C 9 0.00000 8.85403 651. RY (46) C 9 0.00000 13.14463 652. RY (47) C 9 0.00000 8.68615 653. RY (48) C 9 0.00000 7.56286 654. RY (49) C 9 0.00000 12.03222 655. RY (50) C 9 0.00000 12.55182 656. RY (51) C 9 0.00000 8.19346 657. RY (52) C 9 0.00000 7.06621 658. RY ( 1) P 10 0.00564 1.59888 659. RY ( 2) P 10 0.00502 1.41476 660. RY ( 3) P 10 0.00284 1.35147 661. RY ( 4) P 10 0.00271 1.31816 662. RY ( 5) P 10 0.00259 1.89347 663. RY ( 6) P 10 0.00165 1.33581 664. RY ( 7) P 10 0.00131 1.23980 665. RY ( 8) P 10 0.00080 2.34609 666. RY ( 9) P 10 0.00044 2.14383 667. RY (10) P 10 0.00035 2.43055 668. RY (11) P 10 0.00021 2.87122 669. RY (12) P 10 0.00017 2.86229 670. RY (13) P 10 0.00011 2.75640 671. RY (14) P 10 0.00010 3.39442 672. RY (15) P 10 0.00008 2.75128 673. RY (16) P 10 0.00007 2.76987 674. RY (17) P 10 0.00006 3.03919 675. RY (18) P 10 0.00004 2.35882 676. RY (19) P 10 0.00003 4.58519 677. RY (20) P 10 0.00002 4.50000 678. RY (21) P 10 0.00001 3.65458 679. RY (22) P 10 0.00001 4.18141 680. RY (23) P 10 0.00001 4.20252 681. RY (24) P 10 0.00000 3.54288 682. RY (25) P 10 0.00000 4.93980 683. RY (26) P 10 0.00000 4.04546 684. RY (27) P 10 0.00000 5.23901 685. RY (28) P 10 0.00000 4.97328 686. RY (29) P 10 0.00000 6.03081 687. RY (30) P 10 0.00000 5.54365 688. RY (31) P 10 0.00000 4.22365 689. RY (32) P 10 0.00000 4.93936 690. RY (33) P 10 0.00000 4.49047 691. RY (34) P 10 0.00000 4.79713 692. RY (35) P 10 0.00000 4.79212 693. RY (36) P 10 0.00000 4.54682 694. RY (37) P 10 0.00000 4.41503 695. RY (38) P 10 0.00000 4.14057 696. RY (39) P 10 0.00000 4.06075 697. RY (40) P 10 0.00000 3.94200 698. RY (41) P 10 0.00000 140.56526 699. RY (42) P 10 0.00000 230.31720 700. RY (43) P 10 0.00000 60.94366 701. RY (44) P 10 0.00000 10.48994 702. RY (45) P 10 0.00000 8.32598 703. RY (46) P 10 0.00000 13.64365 704. RY (47) P 10 0.00000 7.03863 705. RY (48) P 10 0.00000 6.57505 706. RY (49) P 10 0.00000 7.17309 707. RY (50) P 10 0.00000 8.55518 708. RY (51) P 10 0.00000 7.81139 709. RY (52) P 10 0.00000 6.54408 710. RY (53) P 10 0.00000 5.48558 711. RY (54) P 10 0.00000 7.15353 712. RY (55) P 10 0.00000 6.78209 713. RY (56) P 10 0.00000 7.17084 714. RY (57) P 10 0.00000 6.25921 715. RY (58) P 10 0.00000 5.58135 716. RY (59) P 10 0.00000 4.66164 717. RY (60) P 10 0.00000 5.07033 718. RY (61) P 10 0.00000 5.14683 719. RY ( 1) C 11 0.00291 2.11419 720. RY ( 2) C 11 0.00212 1.41800 721. RY ( 3) C 11 0.00179 2.12992 722. RY ( 4) C 11 0.00054 1.38482 723. RY ( 5) C 11 0.00031 2.60109 724. RY ( 6) C 11 0.00027 3.51434 725. RY ( 7) C 11 0.00023 4.06845 726. RY ( 8) C 11 0.00016 2.54225 727. RY ( 9) C 11 0.00007 2.50862 728. RY (10) C 11 0.00006 2.58519 729. RY (11) C 11 0.00006 2.59881 730. RY (12) C 11 0.00003 3.70002 731. RY (13) C 11 0.00002 3.84519 732. RY (14) C 11 0.00002 4.13669 733. RY (15) C 11 0.00001 2.54372 734. RY (16) C 11 0.00001 4.17174 735. RY (17) C 11 0.00001 4.69283 736. RY (18) C 11 0.00001 4.84835 737. RY (19) C 11 0.00000 4.61684 738. RY (20) C 11 0.00000 4.36006 739. RY (21) C 11 0.00000 5.01015 740. RY (22) C 11 0.00000 5.78398 741. RY (23) C 11 0.00000 6.09104 742. RY (24) C 11 0.00000 6.96611 743. RY (25) C 11 0.00000 8.73911 744. RY (26) C 11 0.00000 6.62714 745. RY (27) C 11 0.00000 4.25876 746. RY (28) C 11 0.00000 5.10325 747. RY (29) C 11 0.00000 5.34299 748. RY (30) C 11 0.00000 5.17150 749. RY (31) C 11 0.00000 6.44788 750. RY (32) C 11 0.00000 4.33343 751. RY (33) C 11 0.00000 4.61531 752. RY (34) C 11 0.00000 5.09670 753. RY (35) C 11 0.00000 4.86229 754. RY (36) C 11 0.00000 109.66058 755. RY (37) C 11 0.00000 8.00424 756. RY (38) C 11 0.00000 7.83952 757. RY (39) C 11 0.00000 17.21641 758. RY (40) C 11 0.00000 7.84634 759. RY (41) C 11 0.00000 7.27203 760. RY (42) C 11 0.00000 7.28370 761. RY (43) C 11 0.00000 14.28982 762. RY (44) C 11 0.00000 7.31100 763. RY (45) C 11 0.00000 7.46998 764. RY (46) C 11 0.00000 7.78977 765. RY (47) C 11 0.00000 7.86695 766. RY (48) C 11 0.00000 6.44784 767. RY (49) C 11 0.00000 6.40365 768. RY (50) C 11 0.00000 6.48728 769. RY (51) C 11 0.00000 6.11716 770. RY (52) C 11 0.00000 6.14758 771. RY ( 1) C 12 0.00219 1.47299 772. RY ( 2) C 12 0.00191 1.52381 773. RY ( 3) C 12 0.00158 2.59881 774. RY ( 4) C 12 0.00047 2.57640 775. RY ( 5) C 12 0.00043 2.19972 776. RY ( 6) C 12 0.00026 3.70045 777. RY ( 7) C 12 0.00023 3.74535 778. RY ( 8) C 12 0.00014 2.80718 779. RY ( 9) C 12 0.00009 2.71124 780. RY (10) C 12 0.00007 2.19882 781. RY (11) C 12 0.00005 2.97355 782. RY (12) C 12 0.00003 3.93762 783. RY (13) C 12 0.00003 4.26873 784. RY (14) C 12 0.00002 3.31585 785. RY (15) C 12 0.00001 4.43675 786. RY (16) C 12 0.00001 3.53406 787. RY (17) C 12 0.00001 3.05566 788. RY (18) C 12 0.00001 5.43317 789. RY (19) C 12 0.00000 4.36415 790. RY (20) C 12 0.00000 7.42634 791. RY (21) C 12 0.00000 6.10244 792. RY (22) C 12 0.00000 5.86453 793. RY (23) C 12 0.00000 7.13879 794. RY (24) C 12 0.00000 6.06029 795. RY (25) C 12 0.00000 5.18061 796. RY (26) C 12 0.00000 6.73997 797. RY (27) C 12 0.00000 5.15088 798. RY (28) C 12 0.00000 4.54511 799. RY (29) C 12 0.00000 5.59713 800. RY (30) C 12 0.00000 5.47967 801. RY (31) C 12 0.00000 4.78776 802. RY (32) C 12 0.00000 5.24717 803. RY (33) C 12 0.00000 5.29690 804. RY (34) C 12 0.00000 4.91975 805. RY (35) C 12 0.00000 4.60420 806. RY (36) C 12 0.00000 5.33624 807. RY (37) C 12 0.00000 92.66124 808. RY (38) C 12 0.00000 11.23002 809. RY (39) C 12 0.00000 6.52810 810. RY (40) C 12 0.00000 19.79636 811. RY (41) C 12 0.00000 7.61494 812. RY (42) C 12 0.00000 7.29565 813. RY (43) C 12 0.00000 9.66863 814. RY (44) C 12 0.00000 7.62390 815. RY (45) C 12 0.00000 9.05432 816. RY (46) C 12 0.00000 10.27123 817. RY (47) C 12 0.00000 15.57291 818. RY (48) C 12 0.00000 7.83529 819. RY (49) C 12 0.00000 9.56286 820. RY (50) C 12 0.00000 6.93400 821. RY (51) C 12 0.00000 5.94294 822. RY (52) C 12 0.00000 6.63162 823. RY ( 1) C 13 0.00274 1.51312 824. RY ( 2) C 13 0.00172 1.57221 825. RY ( 3) C 13 0.00144 2.30326 826. RY ( 4) C 13 0.00050 1.65231 827. RY ( 5) C 13 0.00045 2.79749 828. RY ( 6) C 13 0.00028 3.19334 829. RY ( 7) C 13 0.00021 4.68185 830. RY ( 8) C 13 0.00010 2.99263 831. RY ( 9) C 13 0.00005 2.66848 832. RY (10) C 13 0.00004 2.79143 833. RY (11) C 13 0.00003 3.26577 834. RY (12) C 13 0.00002 3.43819 835. RY (13) C 13 0.00002 3.80796 836. RY (14) C 13 0.00001 3.46121 837. RY (15) C 13 0.00001 3.81265 838. RY (16) C 13 0.00001 3.46117 839. RY (17) C 13 0.00001 3.28066 840. RY (18) C 13 0.00001 3.32764 841. RY (19) C 13 0.00000 3.56460 842. RY (20) C 13 0.00000 6.15356 843. RY (21) C 13 0.00000 6.62063 844. RY (22) C 13 0.00000 10.18834 845. RY (23) C 13 0.00000 6.48567 846. RY (24) C 13 0.00000 6.09717 847. RY (25) C 13 0.00000 7.31402 848. RY (26) C 13 0.00000 6.28435 849. RY (27) C 13 0.00000 4.05389 850. RY (28) C 13 0.00000 6.28143 851. RY (29) C 13 0.00000 6.55228 852. RY (30) C 13 0.00000 6.31569 853. RY (31) C 13 0.00000 4.92230 854. RY (32) C 13 0.00000 5.37685 855. RY (33) C 13 0.00000 4.72771 856. RY (34) C 13 0.00000 5.79933 857. RY (35) C 13 0.00000 4.85075 858. RY (36) C 13 0.00000 4.61196 859. RY (37) C 13 0.00000 5.22031 860. RY (38) C 13 0.00000 118.52510 861. RY (39) C 13 0.00000 6.49445 862. RY (40) C 13 0.00000 6.81932 863. RY (41) C 13 0.00000 7.24760 864. RY (42) C 13 0.00000 15.43801 865. RY (43) C 13 0.00000 7.50114 866. RY (44) C 13 0.00000 8.00916 867. RY (45) C 13 0.00000 6.45298 868. RY (46) C 13 0.00000 7.88312 869. RY (47) C 13 0.00000 7.09308 870. RY (48) C 13 0.00000 6.81305 871. RY (49) C 13 0.00000 6.64909 872. RY (50) C 13 0.00000 6.65601 873. RY (51) C 13 0.00000 7.08105 874. RY (52) C 13 0.00000 6.64542 875. RY ( 1) C 14 0.00312 1.57983 876. RY ( 2) C 14 0.00175 1.58086 877. RY ( 3) C 14 0.00149 2.26062 878. RY ( 4) C 14 0.00050 1.60009 879. RY ( 5) C 14 0.00044 2.87156 880. RY ( 6) C 14 0.00027 3.34588 881. RY ( 7) C 14 0.00020 4.52590 882. RY ( 8) C 14 0.00008 2.87470 883. RY ( 9) C 14 0.00006 2.73494 884. RY (10) C 14 0.00004 2.87870 885. RY (11) C 14 0.00003 3.02272 886. RY (12) C 14 0.00002 3.61131 887. RY (13) C 14 0.00002 3.63701 888. RY (14) C 14 0.00001 3.23031 889. RY (15) C 14 0.00001 3.88053 890. RY (16) C 14 0.00001 4.02565 891. RY (17) C 14 0.00001 4.02342 892. RY (18) C 14 0.00000 7.22069 893. RY (19) C 14 0.00000 6.65123 894. RY (20) C 14 0.00000 6.42182 895. RY (21) C 14 0.00000 5.36669 896. RY (22) C 14 0.00000 7.54069 897. RY (23) C 14 0.00000 6.30665 898. RY (24) C 14 0.00000 5.19235 899. RY (25) C 14 0.00000 5.43987 900. RY (26) C 14 0.00000 7.02762 901. RY (27) C 14 0.00000 5.32913 902. RY (28) C 14 0.00000 4.75367 903. RY (29) C 14 0.00000 5.14269 904. RY (30) C 14 0.00000 5.55648 905. RY (31) C 14 0.00000 4.96625 906. RY (32) C 14 0.00000 5.45682 907. RY (33) C 14 0.00000 5.49085 908. RY (34) C 14 0.00000 4.50646 909. RY (35) C 14 0.00001 3.79065 910. RY (36) C 14 0.00001 3.41347 911. RY (37) C 14 0.00000 110.44125 912. RY (38) C 14 0.00000 10.86846 913. RY (39) C 14 0.00000 9.15267 914. RY (40) C 14 0.00000 6.78545 915. RY (41) C 14 0.00000 6.83192 916. RY (42) C 14 0.00000 10.22751 917. RY (43) C 14 0.00000 7.04330 918. RY (44) C 14 0.00000 12.72842 919. RY (45) C 14 0.00000 6.59714 920. RY (46) C 14 0.00000 6.67969 921. RY (47) C 14 0.00000 10.05826 922. RY (48) C 14 0.00000 8.36408 923. RY (49) C 14 0.00000 6.79826 924. RY (50) C 14 0.00000 7.24094 925. RY (51) C 14 0.00000 6.95849 926. RY (52) C 14 0.00000 7.56069 927. RY ( 1) C 15 0.00237 1.54861 928. RY ( 2) C 15 0.00190 1.51567 929. RY ( 3) C 15 0.00160 2.60553 930. RY ( 4) C 15 0.00047 2.76017 931. RY ( 5) C 15 0.00043 2.02795 932. RY ( 6) C 15 0.00025 4.76169 933. RY ( 7) C 15 0.00024 2.72609 934. RY ( 8) C 15 0.00014 2.97909 935. RY ( 9) C 15 0.00009 2.48486 936. RY (10) C 15 0.00007 2.18932 937. RY (11) C 15 0.00005 3.05887 938. RY (12) C 15 0.00003 4.19660 939. RY (13) C 15 0.00003 4.15865 940. RY (14) C 15 0.00002 3.41366 941. RY (15) C 15 0.00001 4.57280 942. RY (16) C 15 0.00001 3.29990 943. RY (17) C 15 0.00001 4.43158 944. RY (18) C 15 0.00001 3.94842 945. RY (19) C 15 0.00000 4.02579 946. RY (20) C 15 0.00000 6.31261 947. RY (21) C 15 0.00000 6.55512 948. RY (22) C 15 0.00000 7.20919 949. RY (23) C 15 0.00000 5.61871 950. RY (24) C 15 0.00000 7.00220 951. RY (25) C 15 0.00000 5.85169 952. RY (26) C 15 0.00000 5.33405 953. RY (27) C 15 0.00000 5.79738 954. RY (28) C 15 0.00000 5.51827 955. RY (29) C 15 0.00000 5.89492 956. RY (30) C 15 0.00000 5.07555 957. RY (31) C 15 0.00000 5.22498 958. RY (32) C 15 0.00000 4.20618 959. RY (33) C 15 0.00000 4.73097 960. RY (34) C 15 0.00000 5.23291 961. RY (35) C 15 0.00000 3.60041 962. RY (36) C 15 0.00000 6.23507 963. RY (37) C 15 0.00000 27.77693 964. RY (38) C 15 0.00000 25.55062 965. RY (39) C 15 0.00000 67.08249 966. RY (40) C 15 0.00000 13.41651 967. RY (41) C 15 0.00000 6.95792 968. RY (42) C 15 0.00000 11.66974 969. RY (43) C 15 0.00000 7.61177 970. RY (44) C 15 0.00000 9.97017 971. RY (45) C 15 0.00000 6.63635 972. RY (46) C 15 0.00000 11.58786 973. RY (47) C 15 0.00000 7.84210 974. RY (48) C 15 0.00000 10.96293 975. RY (49) C 15 0.00000 6.83312 976. RY (50) C 15 0.00000 6.29875 977. RY (51) C 15 0.00000 7.81514 978. RY (52) C 15 0.00000 6.62563 979. RY ( 1) H 16 0.00041 1.32712 980. RY ( 2) H 16 0.00034 2.79207 981. RY ( 3) H 16 0.00020 3.02266 982. RY ( 4) H 16 0.00010 1.56921 983. RY ( 5) H 16 0.00003 2.65443 984. RY ( 6) H 16 0.00001 4.13157 985. RY ( 7) H 16 0.00000 4.56182 986. RY ( 8) H 16 0.00000 3.31656 987. RY ( 9) H 16 0.00000 4.64653 988. RY (10) H 16 0.00000 7.64697 989. RY (11) H 16 0.00000 7.41423 990. RY (12) H 16 0.00000 7.90963 991. RY (13) H 16 0.00000 8.12628 992. RY (14) H 16 0.00000 6.25150 993. RY (15) H 16 0.00000 7.78879 994. RY (16) H 16 0.00000 7.49497 995. RY (17) H 16 0.00000 7.00321 996. RY (18) H 16 0.00000 6.66653 997. RY (19) H 16 0.00000 6.77830 998. RY (20) H 16 0.00000 5.68638 999. RY (21) H 16 0.00000 5.00499 1000. RY (22) H 16 0.00000 7.02972 1001. RY (23) H 16 0.00000 5.87929 1002. RY (24) H 16 0.00000 6.79382 1003. RY (25) H 16 0.00000 9.15071 1004. RY (26) H 16 0.00000 9.01434 1005. RY (27) H 16 0.00000 8.55652 1006. RY (28) H 16 0.00000 8.00284 1007. RY (29) H 16 0.00000 7.78041 1008. RY ( 1) H 17 0.00033 2.84576 1009. RY ( 2) H 17 0.00023 3.16721 1010. RY ( 3) H 17 0.00017 1.99290 1011. RY ( 4) H 17 0.00007 1.28518 1012. RY ( 5) H 17 0.00004 2.72537 1013. RY ( 6) H 17 0.00001 4.25595 1014. RY ( 7) H 17 0.00001 3.67322 1015. RY ( 8) H 17 0.00001 5.16092 1016. RY ( 9) H 17 0.00000 8.05012 1017. RY (10) H 17 0.00000 7.24213 1018. RY (11) H 17 0.00000 6.80388 1019. RY (12) H 17 0.00000 6.59370 1020. RY (13) H 17 0.00000 7.40342 1021. RY (14) H 17 0.00000 6.03527 1022. RY (15) H 17 0.00000 6.10201 1023. RY (16) H 17 0.00000 6.41355 1024. RY (17) H 17 0.00000 6.19006 1025. RY (18) H 17 0.00000 6.67999 1026. RY (19) H 17 0.00000 6.07470 1027. RY (20) H 17 0.00000 6.77269 1028. RY (21) H 17 0.00000 5.41910 1029. RY (22) H 17 0.00000 6.19267 1030. RY (23) H 17 0.00000 5.38366 1031. RY (24) H 17 0.00000 9.88791 1032. RY (25) H 17 0.00000 8.51186 1033. RY (26) H 17 0.00000 8.30669 1034. RY (27) H 17 0.00000 8.82038 1035. RY (28) H 17 0.00000 7.52470 1036. RY (29) H 17 0.00000 8.95071 1037. RY ( 1) H 18 0.00034 2.70983 1038. RY ( 2) H 18 0.00027 1.68032 1039. RY ( 3) H 18 0.00020 3.36017 1040. RY ( 4) H 18 0.00007 1.72805 1041. RY ( 5) H 18 0.00003 2.49751 1042. RY ( 6) H 18 0.00001 4.06163 1043. RY ( 7) H 18 0.00001 4.76230 1044. RY ( 8) H 18 0.00001 4.86634 1045. RY ( 9) H 18 0.00000 5.34278 1046. RY (10) H 18 0.00000 7.65949 1047. RY (11) H 18 0.00000 7.40394 1048. RY (12) H 18 0.00000 7.43931 1049. RY (13) H 18 0.00000 8.16912 1050. RY (14) H 18 0.00000 6.97659 1051. RY (15) H 18 0.00000 6.65265 1052. RY (16) H 18 0.00000 6.54655 1053. RY (17) H 18 0.00000 6.81576 1054. RY (18) H 18 0.00000 5.89004 1055. RY (19) H 18 0.00000 4.32813 1056. RY (20) H 18 0.00000 6.12593 1057. RY (21) H 18 0.00000 8.54044 1058. RY (22) H 18 0.00000 5.95915 1059. RY (23) H 18 0.00000 4.24102 1060. RY (24) H 18 0.00000 9.84683 1061. RY (25) H 18 0.00000 8.38121 1062. RY (26) H 18 0.00000 9.14317 1063. RY (27) H 18 0.00000 7.45445 1064. RY (28) H 18 0.00000 7.46766 1065. RY (29) H 18 0.00000 8.44763 1066. RY ( 1) H 19 0.00040 1.16458 1067. RY ( 2) H 19 0.00034 2.84070 1068. RY ( 3) H 19 0.00019 3.18357 1069. RY ( 4) H 19 0.00010 1.66318 1070. RY ( 5) H 19 0.00004 2.64247 1071. RY ( 6) H 19 0.00001 4.41642 1072. RY ( 7) H 19 0.00000 3.36988 1073. RY ( 8) H 19 0.00000 3.97584 1074. RY ( 9) H 19 0.00000 5.18636 1075. RY (10) H 19 0.00000 7.20365 1076. RY (11) H 19 0.00000 7.49351 1077. RY (12) H 19 0.00000 7.95080 1078. RY (13) H 19 0.00000 8.05313 1079. RY (14) H 19 0.00000 7.42484 1080. RY (15) H 19 0.00000 6.90785 1081. RY (16) H 19 0.00000 7.26917 1082. RY (17) H 19 0.00000 6.84632 1083. RY (18) H 19 0.00000 6.06159 1084. RY (19) H 19 0.00000 7.01737 1085. RY (20) H 19 0.00000 4.82604 1086. RY (21) H 19 0.00000 5.83268 1087. RY (22) H 19 0.00000 7.58351 1088. RY (23) H 19 0.00000 5.62724 1089. RY (24) H 19 0.00000 6.83200 1090. RY (25) H 19 0.00000 8.89977 1091. RY (26) H 19 0.00000 8.90440 1092. RY (27) H 19 0.00000 8.60773 1093. RY (28) H 19 0.00000 8.30141 1094. RY (29) H 19 0.00000 8.16431 1095. RY ( 1) H 20 0.00037 2.61168 1096. RY ( 2) H 20 0.00025 2.97960 1097. RY ( 3) H 20 0.00017 2.10050 1098. RY ( 4) H 20 0.00012 1.25125 1099. RY ( 5) H 20 0.00004 2.77059 1100. RY ( 6) H 20 0.00002 4.08378 1101. RY ( 7) H 20 0.00001 3.65496 1102. RY ( 8) H 20 0.00000 4.57953 1103. RY ( 9) H 20 0.00000 7.08463 1104. RY (10) H 20 0.00000 7.03402 1105. RY (11) H 20 0.00000 8.13580 1106. RY (12) H 20 0.00000 6.71045 1107. RY (13) H 20 0.00000 5.78758 1108. RY (14) H 20 0.00000 6.35750 1109. RY (15) H 20 0.00000 5.83518 1110. RY (16) H 20 0.00000 7.01831 1111. RY (17) H 20 0.00000 6.08825 1112. RY (18) H 20 0.00000 6.69908 1113. RY (19) H 20 0.00000 4.61436 1114. RY (20) H 20 0.00000 7.71315 1115. RY (21) H 20 0.00000 6.53027 1116. RY (22) H 20 0.00000 5.67127 1117. RY (23) H 20 0.00000 8.88425 1118. RY (24) H 20 0.00000 9.03178 1119. RY (25) H 20 0.00000 9.49310 1120. RY (26) H 20 0.00000 7.80417 1121. RY (27) H 20 0.00000 7.94426 1122. RY (28) H 20 0.00000 8.38541 1123. RY (29) H 20 0.00000 7.72846 1124. RY ( 1) H 21 0.00034 2.69411 1125. RY ( 2) H 21 0.00019 2.85729 1126. RY ( 3) H 21 0.00017 2.82287 1127. RY ( 4) H 21 0.00007 1.33594 1128. RY ( 5) H 21 0.00002 2.38156 1129. RY ( 6) H 21 0.00001 3.46334 1130. RY ( 7) H 21 0.00001 4.01016 1131. RY ( 8) H 21 0.00000 5.75611 1132. RY ( 9) H 21 0.00000 4.47726 1133. RY (10) H 21 0.00000 8.24882 1134. RY (11) H 21 0.00000 8.31512 1135. RY (12) H 21 0.00000 6.75704 1136. RY (13) H 21 0.00000 7.80461 1137. RY (14) H 21 0.00000 6.83508 1138. RY (15) H 21 0.00000 6.22675 1139. RY (16) H 21 0.00000 6.22261 1140. RY (17) H 21 0.00000 6.13713 1141. RY (18) H 21 0.00000 7.34990 1142. RY (19) H 21 0.00000 4.39945 1143. RY (20) H 21 0.00000 9.08329 1144. RY (21) H 21 0.00000 5.15895 1145. RY (22) H 21 0.00000 6.82118 1146. RY (23) H 21 0.00000 5.25087 1147. RY (24) H 21 0.00000 9.05250 1148. RY (25) H 21 0.00000 8.63559 1149. RY (26) H 21 0.00000 9.50168 1150. RY (27) H 21 0.00000 7.28473 1151. RY (28) H 21 0.00000 8.20553 1152. RY (29) H 21 0.00000 7.38424 1153. RY ( 1) H 22 0.00042 1.45905 1154. RY ( 2) H 22 0.00034 2.69636 1155. RY ( 3) H 22 0.00020 2.90489 1156. RY ( 4) H 22 0.00009 1.41743 1157. RY ( 5) H 22 0.00003 2.72633 1158. RY ( 6) H 22 0.00001 4.10467 1159. RY ( 7) H 22 0.00000 5.55082 1160. RY ( 8) H 22 0.00000 3.84026 1161. RY ( 9) H 22 0.00000 3.81536 1162. RY (10) H 22 0.00000 8.43979 1163. RY (11) H 22 0.00000 7.43899 1164. RY (12) H 22 0.00000 8.06103 1165. RY (13) H 22 0.00000 8.28937 1166. RY (14) H 22 0.00000 6.76847 1167. RY (15) H 22 0.00000 5.96641 1168. RY (16) H 22 0.00000 7.35306 1169. RY (17) H 22 0.00000 6.66954 1170. RY (18) H 22 0.00000 7.20325 1171. RY (19) H 22 0.00000 7.02719 1172. RY (20) H 22 0.00000 4.93289 1173. RY (21) H 22 0.00000 6.70742 1174. RY (22) H 22 0.00000 6.12542 1175. RY (23) H 22 0.00000 5.67139 1176. RY (24) H 22 0.00000 6.79497 1177. RY (25) H 22 0.00000 9.71953 1178. RY (26) H 22 0.00000 8.75268 1179. RY (27) H 22 0.00000 7.99412 1180. RY (28) H 22 0.00000 8.67494 1181. RY (29) H 22 0.00000 7.50045 1182. RY ( 1) H 23 0.00034 2.76168 1183. RY ( 2) H 23 0.00023 3.04538 1184. RY ( 3) H 23 0.00016 2.09460 1185. RY ( 4) H 23 0.00007 1.54840 1186. RY ( 5) H 23 0.00004 2.32025 1187. RY ( 6) H 23 0.00001 4.02553 1188. RY ( 7) H 23 0.00001 4.14246 1189. RY ( 8) H 23 0.00000 4.79855 1190. RY ( 9) H 23 0.00000 7.86894 1191. RY (10) H 23 0.00000 7.15016 1192. RY (11) H 23 0.00000 8.45005 1193. RY (12) H 23 0.00000 6.92120 1194. RY (13) H 23 0.00000 6.91625 1195. RY (14) H 23 0.00000 5.84026 1196. RY (15) H 23 0.00000 6.40321 1197. RY (16) H 23 0.00000 5.57060 1198. RY (17) H 23 0.00000 6.52358 1199. RY (18) H 23 0.00000 6.82400 1200. RY (19) H 23 0.00000 5.73862 1201. RY (20) H 23 0.00000 5.38383 1202. RY (21) H 23 0.00000 7.34628 1203. RY (22) H 23 0.00000 6.82840 1204. RY (23) H 23 0.00000 5.07679 1205. RY (24) H 23 0.00000 9.66112 1206. RY (25) H 23 0.00000 8.19387 1207. RY (26) H 23 0.00000 8.72053 1208. RY (27) H 23 0.00000 8.21778 1209. RY (28) H 23 0.00000 8.49014 1210. RY (29) H 23 0.00000 8.23925 1211. RY ( 1) H 24 0.00032 2.85667 1212. RY ( 2) H 24 0.00020 2.96030 1213. RY ( 3) H 24 0.00016 2.65178 1214. RY ( 4) H 24 0.00007 1.10248 1215. RY ( 5) H 24 0.00003 2.42387 1216. RY ( 6) H 24 0.00001 3.91457 1217. RY ( 7) H 24 0.00001 4.11620 1218. RY ( 8) H 24 0.00001 4.46459 1219. RY ( 9) H 24 0.00000 5.39003 1220. RY (10) H 24 0.00000 7.59472 1221. RY (11) H 24 0.00000 8.04697 1222. RY (12) H 24 0.00000 7.78119 1223. RY (13) H 24 0.00000 7.49976 1224. RY (14) H 24 0.00000 6.27043 1225. RY (15) H 24 0.00000 6.79793 1226. RY (16) H 24 0.00000 6.49789 1227. RY (17) H 24 0.00000 6.41035 1228. RY (18) H 24 0.00000 8.44746 1229. RY (19) H 24 0.00000 4.39369 1230. RY (20) H 24 0.00000 5.68983 1231. RY (21) H 24 0.00000 5.54045 1232. RY (22) H 24 0.00000 5.56633 1233. RY (23) H 24 0.00000 9.53331 1234. RY (24) H 24 0.00000 9.26349 1235. RY (25) H 24 0.00000 9.30365 1236. RY (26) H 24 0.00000 7.65006 1237. RY (27) H 24 0.00000 7.41906 1238. RY (28) H 24 0.00000 7.14796 1239. RY (29) H 24 0.00000 8.20212 1240. RY ( 1) H 25 0.00041 1.57762 1241. RY ( 2) H 25 0.00023 2.84856 1242. RY ( 3) H 25 0.00021 2.52518 1243. RY ( 4) H 25 0.00016 1.71804 1244. RY ( 5) H 25 0.00009 3.24313 1245. RY ( 6) H 25 0.00003 3.57419 1246. RY ( 7) H 25 0.00002 6.84877 1247. RY ( 8) H 25 0.00000 3.43065 1248. RY ( 9) H 25 0.00000 4.49916 1249. RY (10) H 25 0.00000 6.15103 1250. RY (11) H 25 0.00001 4.67354 1251. RY (12) H 25 0.00000 6.93305 1252. RY (13) H 25 0.00000 7.61552 1253. RY (14) H 25 0.00000 7.81881 1254. RY (15) H 25 0.00000 7.34137 1255. RY (16) H 25 0.00000 7.18264 1256. RY (17) H 25 0.00000 7.00462 1257. RY (18) H 25 0.00000 7.79664 1258. RY (19) H 25 0.00000 6.68230 1259. RY (20) H 25 0.00000 6.36570 1260. RY (21) H 25 0.00000 9.30708 1261. RY (22) H 25 0.00000 5.60549 1262. RY (23) H 25 0.00000 9.09293 1263. RY (24) H 25 0.00000 8.83767 1264. RY (25) H 25 0.00000 9.52335 1265. RY (26) H 25 0.00000 7.70200 1266. RY (27) H 25 0.00000 9.07857 1267. RY (28) H 25 0.00000 7.30450 1268. RY (29) H 25 0.00000 7.96119 1269. RY ( 1) H 26 0.00037 1.39593 1270. RY ( 2) H 26 0.00027 2.89763 1271. RY ( 3) H 26 0.00021 2.77650 1272. RY ( 4) H 26 0.00011 3.03247 1273. RY ( 5) H 26 0.00006 2.20856 1274. RY ( 6) H 26 0.00002 6.85448 1275. RY ( 7) H 26 0.00001 4.08750 1276. RY ( 8) H 26 0.00000 5.35182 1277. RY ( 9) H 26 0.00000 3.39946 1278. RY (10) H 26 0.00001 4.65512 1279. RY (11) H 26 0.00001 5.76191 1280. RY (12) H 26 0.00000 7.55123 1281. RY (13) H 26 0.00000 7.62415 1282. RY (14) H 26 0.00000 7.28596 1283. RY (15) H 26 0.00000 7.06305 1284. RY (16) H 26 0.00000 7.09721 1285. RY (17) H 26 0.00000 7.04071 1286. RY (18) H 26 0.00000 6.47899 1287. RY (19) H 26 0.00000 9.80570 1288. RY (20) H 26 0.00000 5.40342 1289. RY (21) H 26 0.00000 6.78810 1290. RY (22) H 26 0.00000 6.04847 1291. RY (23) H 26 0.00000 9.12825 1292. RY (24) H 26 0.00000 8.48560 1293. RY (25) H 26 0.00000 9.05433 1294. RY (26) H 26 0.00000 7.87561 1295. RY (27) H 26 0.00000 8.69410 1296. RY (28) H 26 0.00000 7.94368 1297. RY (29) H 26 0.00000 8.21786 1298. RY ( 1) H 27 0.00042 1.32172 1299. RY ( 2) H 27 0.00021 2.60622 1300. RY ( 3) H 27 0.00019 3.35137 1301. RY ( 4) H 27 0.00011 3.53100 1302. RY ( 5) H 27 0.00008 1.94869 1303. RY ( 6) H 27 0.00003 6.90076 1304. RY ( 7) H 27 0.00001 3.36560 1305. RY ( 8) H 27 0.00001 5.25789 1306. RY ( 9) H 27 0.00001 3.94735 1307. RY (10) H 27 0.00000 5.49808 1308. RY (11) H 27 0.00000 6.29134 1309. RY (12) H 27 0.00000 4.57849 1310. RY (13) H 27 0.00000 7.45515 1311. RY (14) H 27 0.00000 7.19383 1312. RY (15) H 27 0.00000 7.67192 1313. RY (16) H 27 0.00000 6.81962 1314. RY (17) H 27 0.00000 7.09789 1315. RY (18) H 27 0.00000 8.04826 1316. RY (19) H 27 0.00000 6.51891 1317. RY (20) H 27 0.00000 6.38888 1318. RY (21) H 27 0.00000 8.84290 1319. RY (22) H 27 0.00000 5.39757 1320. RY (23) H 27 0.00000 9.47487 1321. RY (24) H 27 0.00000 9.18779 1322. RY (25) H 27 0.00000 9.63546 1323. RY (26) H 27 0.00000 8.31528 1324. RY (27) H 27 0.00000 8.70183 1325. RY (28) H 27 0.00000 7.11568 1326. RY (29) H 27 0.00000 7.64439 1327. RY ( 1) H 28 0.00040 1.24162 1328. RY ( 2) H 28 0.00026 2.96092 1329. RY ( 3) H 28 0.00021 2.83964 1330. RY ( 4) H 28 0.00011 3.02699 1331. RY ( 5) H 28 0.00006 2.15111 1332. RY ( 6) H 28 0.00003 6.85505 1333. RY ( 7) H 28 0.00001 3.85538 1334. RY ( 8) H 28 0.00001 5.40280 1335. RY ( 9) H 28 0.00001 4.89900 1336. RY (10) H 28 0.00000 4.22650 1337. RY (11) H 28 0.00000 4.64330 1338. RY (12) H 28 0.00000 6.58706 1339. RY (13) H 28 0.00000 5.10528 1340. RY (14) H 28 0.00000 6.89760 1341. RY (15) H 28 0.00000 7.81784 1342. RY (16) H 28 0.00000 7.75865 1343. RY (17) H 28 0.00000 7.17773 1344. RY (18) H 28 0.00000 7.34792 1345. RY (19) H 28 0.00000 7.10138 1346. RY (20) H 28 0.00000 7.03250 1347. RY (21) H 28 0.00000 6.50121 1348. RY (22) H 28 0.00000 9.46241 1349. RY (23) H 28 0.00000 8.82733 1350. RY (24) H 28 0.00000 8.89676 1351. RY (25) H 28 0.00000 9.02860 1352. RY (26) H 28 0.00000 8.09881 1353. RY (27) H 28 0.00000 8.62399 1354. RY (28) H 28 0.00000 7.62513 1355. RY (29) H 28 0.00000 7.96208 1356. RY ( 1) H 29 0.00036 1.41981 1357. RY ( 2) H 29 0.00021 3.38657 1358. RY ( 3) H 29 0.00019 3.06654 1359. RY ( 4) H 29 0.00012 3.43026 1360. RY ( 5) H 29 0.00006 1.96436 1361. RY ( 6) H 29 0.00002 6.87219 1362. RY ( 7) H 29 0.00001 5.37693 1363. RY ( 8) H 29 0.00001 2.83024 1364. RY ( 9) H 29 0.00001 5.56878 1365. RY (10) H 29 0.00000 4.86016 1366. RY (11) H 29 0.00000 3.96800 1367. RY (12) H 29 0.00000 5.77328 1368. RY (13) H 29 0.00000 7.87410 1369. RY (14) H 29 0.00000 7.08348 1370. RY (15) H 29 0.00000 7.64034 1371. RY (16) H 29 0.00000 7.17927 1372. RY (17) H 29 0.00000 8.12107 1373. RY (18) H 29 0.00000 7.37702 1374. RY (19) H 29 0.00000 6.83159 1375. RY (20) H 29 0.00000 7.59803 1376. RY (21) H 29 0.00000 8.85479 1377. RY (22) H 29 0.00000 7.13985 1378. RY (23) H 29 0.00000 4.36771 1379. RY (24) H 29 0.00000 9.05233 1380. RY (25) H 29 0.00000 9.22099 1381. RY (26) H 29 0.00000 8.64819 1382. RY (27) H 29 0.00000 7.50553 1383. RY (28) H 29 0.00000 7.68158 1384. RY (29) H 29 0.00000 8.80852 ------------------------------- Total Lewis 57.92680 ( 96.7234%) Valence non-Lewis 1.84481 ( 3.0804%) Rydberg non-Lewis 0.11749 ( 0.1962%) ------------------------------- Total unit 1 59.88910 (100.0000%) Charge unit 1 0.11090 Molecular unit 2 (S5) ------ Lewis -------------------------------------- 5. CR ( 1) S 2 1.00000 -87.19372 6. CR ( 2) S 2 1.00000 -9.37629 7. CR ( 3) S 2 1.00000 -5.87683 8. CR ( 4) S 2 1.00000 -5.86874 9. CR ( 5) S 2 1.00000 -5.86772 10. CR ( 1) S 3 1.00000 -87.72951 11. CR ( 2) S 3 1.00000 -8.89642 12. CR ( 3) S 3 1.00000 -5.90112 13. CR ( 4) S 3 1.00000 -5.89509 14. CR ( 5) S 3 1.00000 -5.89859 15. CR ( 1) S 4 1.00000 -87.99390 16. CR ( 2) S 4 1.00000 -8.63143 17. CR ( 3) S 4 1.00000 -5.89369 18. CR ( 4) S 4 1.00000 -5.89681 19. CR ( 5) S 4 1.00000 -5.90373 20. CR ( 1) S 5 1.00000 -87.72005 21. CR ( 2) S 5 1.00000 -8.90640 22. CR ( 3) S 5 1.00000 -5.90163 23. CR ( 4) S 5 1.00000 -5.89410 24. CR ( 5) S 5 1.00000 -5.89988 25. CR ( 1) S 6 1.00000 -87.16519 26. CR ( 2) S 6 1.00000 -9.40688 27. CR ( 3) S 6 1.00000 -5.87783 28. CR ( 4) S 6 1.00000 -5.86993 29. CR ( 5) S 6 1.00000 -5.86863 45. LP ( 1) S 2 0.98943 -0.47088 87(r),115(r),117(r),260(v) 126(r),141(r),138(r),123(r) 119(r),93(r),665(r),719(r) 175(r),116(r),678(r),134(r) 165(r),674(r),195(r),98(r) 929(r),662(r),676(r),773(r) 88(r),875(r),169(r),127(r) 124(r),137(r),170(r),164(r) 118(r),168(r),675(r),142(r) 143(r) 46. LP ( 2) S 2 0.83523 -0.22427 115(r),117(r),90(v),87(r) 204(g),116(r),126(r),120(r) 258(v),138(r),201(g),132(r) 124(r),674(r),676(r),131(r) 445(r),448(r),192(r),662(r) 446(r),141(r),665(r),118(r) 129(r),675(r),130(r),139(r) 823(r),773(r),719(r),151(r) 123(r),678(r),127(r),146(r) 929(r),825(r),771(r),191(r) 119(r),781(r),671(r),658(r) 875(r),927(r),161(r),152(r) 169(r),728(r),669(r),98(r) 193(r),184(r),147(r),167(r) 826(r),137(r),195(r),667(r) 164(r),721(r),189(r),170(r) 97(r),134(r),163(r),144(r) 836(r),168(r),125(r) 1066(r),156(r),174(r) 177(r),668(r),828(r),171(r) 779(r),937(r),554(r),666(r) 772(r),730(r),774(r),722(r) 876(r),606(r),830(r),833(r) 188(r),824(r),173(r),88(r) 559(r),688(r),165(r),145(r) 149(r),723(r),877(r),166(r) 114(r),1127(r),1156(r) 93(r),905(r),106(r),885(r) 979(r),775(r),889(r) 47. LP ( 3) S 2 0.70030 -0.22789 87(r),115(r),117(r),120(r) 204(g),126(r),132(r),201(g) 138(r),130(r),445(r),198(g) 676(r),448(r),124(r),662(r) 125(r),119(r),192(r),665(r) 131(r),202(g),141(r),674(r) 89(g),446(r),719(r),773(r) 127(r),129(r),675(r),823(r) 442(r),151(r),678(r),929(r) 146(r),152(r),213(g),161(r) 927(r),771(r),169(r),193(r) 211(g),671(r),658(r),156(r) 260(v),118(r),197(g),167(r) 875(r),139(r),825(r),191(r) 728(r),443(r),669(r),781(r) 668(r),116(r),667(r),721(r) 164(r),128(r),216(g),168(r) 170(r),937(r),145(r),935(r) 185(r),189(r),666(r),147(r) 88(r),174(r),163(r),177(r) 877(r),171(r),97(r),209(g) 772(r),889(r),459(r),134(r) 199(g),135(r),184(r),166(r) 122(r),824(r),188(r),830(r) 154(r),165(r),828(r),606(r) 455(r),1066(r),123(r) 730(r),460(r),779(r),680(r) 723(r),452(r),554(r),722(r) 836(r),885(r),195(r),833(r) 208(g),880(r),882(r) 1127(r),149(r),502(r) 979(r),173(r),93(r),774(r) 688(r),982(r),1156(r) 140(r),780(r),788(r),620(r) 943(r),1153(r),162(r) 693(r),1069(r),137(r) 144(r),514(r),187(r),567(r) 775(r),855(r),942(r),509(r) 876(r),685(r),158(r),157(r) 194(r),697(r),613(r),826(r) 938(r),660(r),619(r),884(r) 183(r),1243(r),930(r) 858(r),1330(r),692(r) 735(r),541(r),745(r),673(r) 684(r),1040(r),562(r) 931(r),155(r),928(r),936(r) 729(r),617(r),1298(r) 133(r),786(r),690(r),886(r) 904(r),178(r),837(r),150(r) 1272(r),695(r),1244(r) 944(r),785(r),181(r),905(r) 878(r),559(r),538(r),910(r) 831(r),1299(r),186(r) 783(r),1273(r),840(r) 663(r),94(r),176(r),834(r) 803(r),505(r),677(r) 1331(r),561(r),646(r) 1098(r),143(r),1302(r) 751(r),960(r),801(r),101(r) 542(r),566(r),1359(r) 804(r),909(r),1358(r) 592(r),1124(r),614(r) 682(r),670(r),114(r) 1309(r),787(r),110(r) 503(r),1340(r),142(r) 736(r),753(r),180(r),504(r) 750(r),593(r),691(r),506(r) 1037(r),978(r),1300(r) 618(r),1161(r),907(r) 797(r),838(r),510(r),557(r) 832(r),679(r),507(r),694(r) 607(r),827(r),908(r) 1270(r),1356(r),121(r) 1378(r),718(r),179(r) 899(r),898(r),672(r),590(r) 664(r) 48. LP ( 1) S 3 0.99563 -0.51911 87(r),115(r),88(r),117(r) 138(r),120(r),119(r),121(r) 105(r) 49. LP ( 2) S 3 0.91419 -0.24657 91(v),319(v),88(r),198(v) 197(v),263(g),320(v),87(r) 118(r),117(r),115(r),116(r) 105(r),122(r),120(r),112(r) 1240(r),662(r),97(r),131(r) 125(r),665(r),728(r) 50. LP ( 1) S 4 0.99599 -0.51290 51. LP ( 2) S 4 0.93924 -0.25802 89(v),92(v),258(v),380(v) 381(v),259(v),324(g),115(r) 116(r),117(r),87(r),118(r) 88(r),138(r),665(r),132(r) 676(r),131(r) 52. LP ( 1) S 5 0.99547 -0.51887 87(r),116(r),88(r),118(r) 120(r),138(r),125(r),101(r) 106(r),119(r) 53. LP ( 2) S 5 0.91496 -0.24697 90(v),319(v),88(r),441(v) 442(v),385(g),320(v),115(r) 87(r),117(r),116(r),118(r) 106(r),120(r),122(r) 1240(r),108(r),662(r) 132(r),665(r),138(r) 54. LP ( 1) S 6 0.98952 -0.47112 87(r),116(r),118(r),382(v) 141(r),123(r),101(r),136(r) 126(r),125(r),119(r),175(r) 138(r),719(r),127(r),665(r) 662(r),94(r),674(r),88(r) 676(r),195(r),165(r),170(r) 773(r),929(r),144(r),115(r) 823(r),169(r),927(r),164(r) 168(r),96(r),174(r),678(r) 134(r),120(r),184(r) 55. LP ( 2) S 6 0.83649 -0.22590 116(r),118(r),91(v),115(r) 87(r),448(g),380(v),120(r) 138(r),445(g),123(r),126(r) 117(r),132(r),121(r),131(r) 676(r),201(r),674(r),127(r) 204(r),125(r),875(r),662(r) 192(r),128(r),442(g),124(r) 665(r),130(r),146(r),141(r) 719(r),929(r),101(r),675(r) 152(r),927(r),151(r),678(r) 667(r),773(r),129(r),877(r) 668(r),119(r),878(r),137(r) 658(r),134(r),139(r),169(r) 937(r),671(r),145(r),167(r) 823(r),161(r),177(r),164(r) 889(r),191(r),195(r),771(r) 174(r),149(r),97(r),147(r) 728(r),935(r),184(r),163(r) 721(r),166(r),193(r),168(r) 171(r),688(r),885(r),189(r) 170(r),185(r),554(r),157(r) 182(r),109(r),660(r),156(r) 722(r),781(r),825(r),882(r) 502(r),144(r),730(r),133(r) 824(r),780(r),165(r),135(r) 772(r),833(r) 56. LP ( 3) S 6 0.70231 -0.22871 87(r),116(r),118(r),448(g) 120(r),445(g),132(r),126(r) 131(r),138(r),201(r),125(r) 442(g),676(r),124(r),204(r) 446(g),192(r),665(r),662(r) 119(r),121(r),674(r),92(g) 141(r),875(r),719(r),929(r) 127(r),675(r),202(r),927(r) 678(r),151(r),129(r),773(r) 146(r),117(r),152(r),169(r) 115(r),199(r),198(r),130(r) 161(r),441(g),455(g),658(r) 667(r),671(r),145(r),382(v) 139(r),771(r),156(r),668(r) 728(r),877(r),134(r),167(r) 123(r),189(r),177(r),147(r) 164(r),460(g),937(r),781(r) 170(r),721(r),174(r),452(g) 168(r),195(r),213(r),823(r) 185(r),163(r),157(r),825(r) 459(g),669(r),191(r),88(r) 133(r),171(r),135(r),457(g) 93(r),144(r),779(r),149(r) 935(r),680(r),876(r),184(r) 882(r),166(r),889(r),193(r) 730(r),828(r),165(r) 1066(r),211(r),660(r) 722(r),554(r),878(r),606(r) 836(r),688(r),216(r),979(r) 443(g),880(r),885(r),833(r) 483(g),208(r),723(r),928(r) 502(r),830(r),943(r),982(r) 1156(r),1069(r),1040(r) 101(r),619(r),772(r),158(r) 780(r),154(r),137(r),182(r) 672(r),1153(r),173(r) 128(r),697(r),930(r),188(r) 788(r),942(r),693(r),824(r) 620(r),140(r),931(r) 1127(r),567(r),666(r) 194(r),613(r),774(r),122(r) 783(r),834(r),685(r),561(r) 509(r),1243(r),155(r) 1356(r),884(r),855(r) 505(r),858(r),904(r) 1272(r),187(r),541(r) 514(r),1037(r),745(r) 663(r),617(r),148(r) 1098(r),729(r),1330(r) 506(r),684(r),695(r),190(r) 176(r),735(r),905(r),162(r) 938(r),538(r),1358(r) 1244(r),150(r),593(r) 510(r),1360(r),944(r) 1331(r),837(r),181(r) 786(r),840(r),803(r) 1273(r),775(r),562(r) 936(r),1359(r),143(r) 891(r),180(r),186(r),717(r) 910(r),832(r),592(r),690(r) 102(r),751(r),569(r),736(r) 785(r),1378(r),908(r) 750(r),691(r),646(r),659(r) 692(r),679(r),909(r),898(r) 558(r),109(r),1357(r) 1038(r),960(r),559(r) 886(r),97(r),682(r),804(r) 727(r),838(r),689(r),566(r) 1365(r),677(r),718(r) 178(r),712(r),1270(r) 687(r),782(r),1298(r) 590(r),661(r),681(r) 1299(r),542(r),614(r) 941(r),1309(r),752(r) 1214(r),670(r),183(r) 537(r),618(r),683(r),726(r) 961(r) 59. BD ( 1) S 2- S 3 0.99055 -0.49481 121(r),115(r),117(r),119(r) 90(g),87(r),322(v),125(r) 124(r),126(r),823(r),136(r) 122(r),138(r),140(r),116(r) 120(r),137(r),727(r),144(r) 555(r),135(r) 60. BD ( 1) S 3- S 4 0.99313 -0.50993 200(v),383(v),126(r),115(r) 91(g),119(r),138(r),117(r) 129(r),116(r),121(r),87(r) 135(r),120(r),118(r),192(r) 662(r),676(r),88(r),132(r) 665(r),658(r),674(r),139(r) 123(r),719(r),675(r),667(r) 875(r),771(r) 61. BD ( 1) S 4- S 5 0.99312 -0.50899 444(v),261(v),443(v),126(r) 90(g),116(r),119(r),120(r) 115(r),118(r),138(r),135(r) 129(r),87(r),117(r),134(r) 192(r),88(r),676(r),662(r) 665(r),658(r),674(r),139(r) 128(r),927(r),133(r),142(r) 675(r),719(r),122(r),667(r) 125(r) 62. BD ( 1) S 5- S 6 0.99034 -0.49746 121(r),116(r),118(r),119(r) 91(g),87(r),122(r),322(v) 126(r),875(r),124(r),120(r) 128(r),134(r),123(r),136(r) 125(r),137(r),115(r),663(r) 140(r),727(r) ------ non-Lewis ---------------------------------- 89. BD*( 1) S 2- S 3 0.05860 0.04674 90. BD*( 1) S 3- S 4 0.06933 0.04108 91. BD*( 1) S 4- S 5 0.06966 0.04013 92. BD*( 1) S 5- S 6 0.05684 0.05065 197. RY ( 1) S 2 0.00540 0.89915 198. RY ( 2) S 2 0.00234 1.09044 199. RY ( 3) S 2 0.00170 1.14193 200. RY ( 4) S 2 0.00132 1.11201 201. RY ( 5) S 2 0.00053 3.02843 202. RY ( 6) S 2 0.00033 2.18026 203. RY ( 7) S 2 0.00028 1.78179 204. RY ( 8) S 2 0.00020 2.97573 205. RY ( 9) S 2 0.00019 1.89583 206. RY (10) S 2 0.00013 2.00925 207. RY (11) S 2 0.00008 1.64682 208. RY (12) S 2 0.00003 1.96437 209. RY (13) S 2 0.00003 1.38056 210. RY (14) S 2 0.00002 1.49822 211. RY (15) S 2 0.00002 2.60790 212. RY (16) S 2 0.00001 1.75342 213. RY (17) S 2 0.00001 2.69882 214. RY (18) S 2 0.00001 3.09426 215. RY (19) S 2 0.00000 2.64783 216. RY (20) S 2 0.00000 2.70172 217. RY (21) S 2 0.00000 6.11595 218. RY (22) S 2 0.00000 6.45176 219. RY (23) S 2 0.00000 5.39910 220. RY (24) S 2 0.00000 5.46306 221. RY (25) S 2 0.00000 5.63821 222. RY (26) S 2 0.00000 4.23564 223. RY (27) S 2 0.00000 6.11249 224. RY (28) S 2 0.00000 4.09923 225. RY (29) S 2 0.00000 4.12670 226. RY (30) S 2 0.00000 4.90902 227. RY (31) S 2 0.00000 4.54038 228. RY (32) S 2 0.00000 4.98607 229. RY (33) S 2 0.00000 3.54518 230. RY (34) S 2 0.00000 5.99691 231. RY (35) S 2 0.00000 4.41651 232. RY (36) S 2 0.00000 4.13804 233. RY (37) S 2 0.00000 3.58158 234. RY (38) S 2 0.00000 3.94934 235. RY (39) S 2 0.00000 3.34878 236. RY (40) S 2 0.00000 3.82295 237. RY (41) S 2 0.00000 4.12307 238. RY (42) S 2 0.00000 3.80130 239. RY (43) S 2 0.00000 3.01149 240. RY (44) S 2 0.00000 2.95520 241. RY (45) S 2 0.00000 2.96186 242. RY (46) S 2 0.00000 74.60083 243. RY (47) S 2 0.00000 405.70504 244. RY (48) S 2 0.00000 27.95745 245. RY (49) S 2 0.00000 35.80738 246. RY (50) S 2 0.00000 12.43955 247. RY (51) S 2 0.00000 22.77191 248. RY (52) S 2 0.00000 15.06498 249. RY (53) S 2 0.00000 11.25160 250. RY (54) S 2 0.00000 14.86867 251. RY (55) S 2 0.00000 7.28629 252. RY (56) S 2 0.00000 7.54741 253. RY (57) S 2 0.00000 11.02601 254. RY (58) S 2 0.00000 5.48485 255. RY (59) S 2 0.00000 5.15841 256. RY (60) S 2 0.00000 7.72049 257. RY (61) S 2 0.00000 4.59465 258. RY ( 1) S 3 0.00811 0.68870 259. RY ( 2) S 3 0.00501 0.66685 260. RY ( 3) S 3 0.00271 0.61828 261. RY ( 4) S 3 0.00133 0.79368 262. RY ( 5) S 3 0.00049 1.44783 263. RY ( 6) S 3 0.00030 1.58997 264. RY ( 7) S 3 0.00024 1.52697 265. RY ( 8) S 3 0.00014 1.62499 266. RY ( 9) S 3 0.00010 1.86533 267. RY (10) S 3 0.00005 1.68593 268. RY (11) S 3 0.00003 1.99575 269. RY (12) S 3 0.00002 1.78798 270. RY (13) S 3 0.00002 2.07603 271. RY (14) S 3 0.00002 2.51231 272. RY (15) S 3 0.00001 2.59781 273. RY (16) S 3 0.00001 1.69518 274. RY (17) S 3 0.00000 5.45276 275. RY (18) S 3 0.00000 6.41635 276. RY (19) S 3 0.00000 4.20184 277. RY (20) S 3 0.00000 5.32819 278. RY (21) S 3 0.00000 4.64830 279. RY (22) S 3 0.00000 3.75906 280. RY (23) S 3 0.00000 4.24063 281. RY (24) S 3 0.00000 5.62697 282. RY (25) S 3 0.00000 5.61026 283. RY (26) S 3 0.00000 3.58138 284. RY (27) S 3 0.00000 3.81326 285. RY (28) S 3 0.00000 4.99753 286. RY (29) S 3 0.00000 5.62588 287. RY (30) S 3 0.00000 4.25064 288. RY (31) S 3 0.00000 4.07090 289. RY (32) S 3 0.00000 3.42584 290. RY (33) S 3 0.00000 3.07481 291. RY (34) S 3 0.00000 4.35414 292. RY (35) S 3 0.00000 4.76362 293. RY (36) S 3 0.00000 4.18212 294. RY (37) S 3 0.00000 5.14350 295. RY (38) S 3 0.00000 4.66184 296. RY (39) S 3 0.00000 3.60020 297. RY (40) S 3 0.00000 3.75486 298. RY (41) S 3 0.00000 5.33758 299. RY (42) S 3 0.00000 2.71202 300. RY (43) S 3 0.00000 2.75880 301. RY (44) S 3 0.00000 3.59347 302. RY (45) S 3 0.00000 3.20185 303. RY (46) S 3 0.00000 2.57775 304. RY (47) S 3 0.00000 2.14920 305. RY (48) S 3 0.00000 62.02563 306. RY (49) S 3 0.00000 284.26534 307. RY (50) S 3 0.00000 69.61481 308. RY (51) S 3 0.00000 49.40303 309. RY (52) S 3 0.00000 62.34510 310. RY (53) S 3 0.00000 55.29490 311. RY (54) S 3 0.00000 27.49725 312. RY (55) S 3 0.00000 6.75476 313. RY (56) S 3 0.00000 6.36079 314. RY (57) S 3 0.00000 6.38498 315. RY (58) S 3 0.00000 4.54833 316. RY (59) S 3 0.00000 6.54597 317. RY (60) S 3 0.00000 8.86245 318. RY (61) S 3 0.00000 4.65123 319. RY ( 1) S 4 0.00800 0.75601 320. RY ( 2) S 4 0.00546 0.67372 321. RY ( 3) S 4 0.00184 0.71387 322. RY ( 4) S 4 0.00165 0.71508 323. RY ( 5) S 4 0.00040 0.65808 324. RY ( 6) S 4 0.00020 1.70337 325. RY ( 7) S 4 0.00011 1.28748 326. RY ( 8) S 4 0.00011 2.35657 327. RY ( 9) S 4 0.00007 1.39703 328. RY (10) S 4 0.00003 2.56171 329. RY (11) S 4 0.00003 2.59250 330. RY (12) S 4 0.00002 1.08605 331. RY (13) S 4 0.00001 1.44718 332. RY (14) S 4 0.00001 2.07532 333. RY (15) S 4 0.00001 1.66740 334. RY (16) S 4 0.00000 1.77682 335. RY (17) S 4 0.00000 5.65443 336. RY (18) S 4 0.00000 5.88793 337. RY (19) S 4 0.00000 6.89106 338. RY (20) S 4 0.00000 4.41727 339. RY (21) S 4 0.00000 4.81636 340. RY (22) S 4 0.00000 6.56282 341. RY (23) S 4 0.00000 3.58795 342. RY (24) S 4 0.00000 3.78003 343. RY (25) S 4 0.00000 6.00885 344. RY (26) S 4 0.00000 3.70782 345. RY (27) S 4 0.00000 3.83897 346. RY (28) S 4 0.00000 4.54135 347. RY (29) S 4 0.00000 5.63262 348. RY (30) S 4 0.00000 3.53858 349. RY (31) S 4 0.00000 4.72751 350. RY (32) S 4 0.00000 4.25919 351. RY (33) S 4 0.00000 4.66860 352. RY (34) S 4 0.00000 5.76878 353. RY (35) S 4 0.00000 6.01961 354. RY (36) S 4 0.00000 4.25510 355. RY (37) S 4 0.00000 4.24001 356. RY (38) S 4 0.00000 3.70608 357. RY (39) S 4 0.00000 3.85120 358. RY (40) S 4 0.00000 4.11744 359. RY (41) S 4 0.00000 2.67431 360. RY (42) S 4 0.00000 2.25719 361. RY (43) S 4 0.00000 6.14387 362. RY (44) S 4 0.00000 3.59886 363. RY (45) S 4 0.00000 3.11772 364. RY (46) S 4 0.00000 6.49788 365. RY (47) S 4 0.00000 3.05828 366. RY (48) S 4 0.00000 3.77187 367. RY (49) S 4 0.00000 3.12391 368. RY (50) S 4 0.00000 70.98567 369. RY (51) S 4 0.00000 372.56915 370. RY (52) S 4 0.00000 47.44026 371. RY (53) S 4 0.00000 37.36338 372. RY (54) S 4 0.00000 17.68739 373. RY (55) S 4 0.00000 10.50556 374. RY (56) S 4 0.00000 18.95116 375. RY (57) S 4 0.00000 13.45171 376. RY (58) S 4 0.00000 20.74476 377. RY (59) S 4 0.00000 9.19325 378. RY (60) S 4 0.00000 10.04557 379. RY (61) S 4 0.00000 9.86887 380. RY ( 1) S 5 0.00802 0.69323 381. RY ( 2) S 5 0.00508 0.66597 382. RY ( 3) S 5 0.00274 0.60971 383. RY ( 4) S 5 0.00134 0.78247 384. RY ( 5) S 5 0.00045 1.47033 385. RY ( 6) S 5 0.00029 1.55317 386. RY ( 7) S 5 0.00023 1.52067 387. RY ( 8) S 5 0.00014 1.48315 388. RY ( 9) S 5 0.00009 1.91411 389. RY (10) S 5 0.00005 1.69964 390. RY (11) S 5 0.00003 1.98273 391. RY (12) S 5 0.00002 1.79356 392. RY (13) S 5 0.00002 2.24023 393. RY (14) S 5 0.00001 2.72522 394. RY (15) S 5 0.00001 1.92785 395. RY (16) S 5 0.00001 1.74208 396. RY (17) S 5 0.00000 4.76454 397. RY (18) S 5 0.00000 4.86145 398. RY (19) S 5 0.00000 5.69539 399. RY (20) S 5 0.00000 4.20305 400. RY (21) S 5 0.00000 4.22939 401. RY (22) S 5 0.00000 4.12034 402. RY (23) S 5 0.00000 4.41650 403. RY (24) S 5 0.00000 4.97801 404. RY (25) S 5 0.00000 3.62817 405. RY (26) S 5 0.00000 4.46044 406. RY (27) S 5 0.00000 4.65434 407. RY (28) S 5 0.00000 3.90002 408. RY (29) S 5 0.00000 5.38241 409. RY (30) S 5 0.00000 4.32023 410. RY (31) S 5 0.00000 4.55066 411. RY (32) S 5 0.00000 3.64827 412. RY (33) S 5 0.00000 3.36189 413. RY (34) S 5 0.00000 4.82670 414. RY (35) S 5 0.00000 4.50843 415. RY (36) S 5 0.00000 5.51080 416. RY (37) S 5 0.00000 3.14097 417. RY (38) S 5 0.00000 3.70441 418. RY (39) S 5 0.00000 2.96984 419. RY (40) S 5 0.00000 4.42843 420. RY (41) S 5 0.00000 4.62884 421. RY (42) S 5 0.00000 4.92888 422. RY (43) S 5 0.00000 3.07874 423. RY (44) S 5 0.00000 4.02854 424. RY (45) S 5 0.00000 2.77386 425. RY (46) S 5 0.00000 3.39688 426. RY (47) S 5 0.00000 1.81107 427. RY (48) S 5 0.00000 71.62674 428. RY (49) S 5 0.00000 321.96137 429. RY (50) S 5 0.00000 30.30712 430. RY (51) S 5 0.00000 24.57200 431. RY (52) S 5 0.00000 43.82991 432. RY (53) S 5 0.00000 92.82033 433. RY (54) S 5 0.00000 15.94594 434. RY (55) S 5 0.00000 18.33998 435. RY (56) S 5 0.00000 6.50232 436. RY (57) S 5 0.00000 5.00425 437. RY (58) S 5 0.00000 7.86431 438. RY (59) S 5 0.00000 4.64393 439. RY (60) S 5 0.00000 8.18795 440. RY (61) S 5 0.00000 5.40074 441. RY ( 1) S 6 0.00561 0.89945 442. RY ( 2) S 6 0.00236 1.12430 443. RY ( 3) S 6 0.00163 1.21024 444. RY ( 4) S 6 0.00135 0.99523 445. RY ( 5) S 6 0.00056 2.91656 446. RY ( 6) S 6 0.00032 2.35805 447. RY ( 7) S 6 0.00024 1.87072 448. RY ( 8) S 6 0.00022 2.63827 449. RY ( 9) S 6 0.00019 2.17787 450. RY (10) S 6 0.00012 1.92603 451. RY (11) S 6 0.00006 1.82351 452. RY (12) S 6 0.00004 2.04314 453. RY (13) S 6 0.00003 1.68457 454. RY (14) S 6 0.00003 1.35753 455. RY (15) S 6 0.00002 3.13134 456. RY (16) S 6 0.00002 1.81773 457. RY (17) S 6 0.00001 2.38429 458. RY (18) S 6 0.00001 2.28079 459. RY (19) S 6 0.00001 2.47287 460. RY (20) S 6 0.00001 3.11376 461. RY (21) S 6 0.00000 4.35001 462. RY (22) S 6 0.00000 5.94913 463. RY (23) S 6 0.00000 5.01261 464. RY (24) S 6 0.00000 4.64604 465. RY (25) S 6 0.00000 5.29517 466. RY (26) S 6 0.00000 4.63236 467. RY (27) S 6 0.00000 4.97354 468. RY (28) S 6 0.00000 4.26611 469. RY (29) S 6 0.00000 4.92955 470. RY (30) S 6 0.00000 4.85801 471. RY (31) S 6 0.00000 3.91850 472. RY (32) S 6 0.00000 4.73871 473. RY (33) S 6 0.00000 4.84446 474. RY (34) S 6 0.00000 5.01740 475. RY (35) S 6 0.00000 4.13383 476. RY (36) S 6 0.00000 4.46936 477. RY (37) S 6 0.00000 3.43563 478. RY (38) S 6 0.00000 3.91016 479. RY (39) S 6 0.00000 3.04080 480. RY (40) S 6 0.00000 3.45083 481. RY (41) S 6 0.00000 3.62092 482. RY (42) S 6 0.00000 2.58329 483. RY (43) S 6 0.00000 2.84982 484. RY (44) S 6 0.00000 104.28770 485. RY (45) S 6 0.00000 355.98745 486. RY (46) S 6 0.00000 47.84359 487. RY (47) S 6 0.00000 26.35031 488. RY (48) S 6 0.00000 27.67882 489. RY (49) S 6 0.00000 18.90612 490. RY (50) S 6 0.00000 11.06961 491. RY (51) S 6 0.00000 16.56997 492. RY (52) S 6 0.00000 10.54559 493. RY (53) S 6 0.00000 13.63083 494. RY (54) S 6 0.00000 5.21732 495. RY (55) S 6 0.00000 5.76814 496. RY (56) S 6 0.00000 5.46237 497. RY (57) S 6 0.00000 6.30174 498. RY (58) S 6 0.00000 8.20395 499. RY (59) S 6 0.00000 4.92113 500. RY (60) S 6 0.00000 8.07142 501. RY (61) S 6 0.00000 5.38094 ------------------------------- Total Lewis 39.77585 ( 99.1647%) Valence non-Lewis 0.25442 ( 0.6343%) Rydberg non-Lewis 0.08063 ( 0.2010%) ------------------------------- Total unit 2 40.11090 (100.0000%) Charge unit 2 -0.11090 *************************************************** ******* Beta spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 Tc 1 s Cor( 4s) 0.99997 -2.79256 2 Tc 1 s Val( 5s) 0.18007 0.97081 3 Tc 1 s Ryd( 6s) 0.00169 4.83873 4 Tc 1 s Ryd( 9s) 0.00061 14.60372 5 Tc 1 s Ryd( 8s) 0.00007 6.93492 6 Tc 1 s Ryd( 7s) 0.00002 6.76545 7 Tc 1 s Ryd(10s) 0.00000 73.50697 8 Tc 1 px Cor( 4p) 0.99991 -1.70059 9 Tc 1 px Ryd( 6p) 0.00366 4.57691 10 Tc 1 px Ryd( 8p) 0.00042 4.86797 11 Tc 1 px Ryd( 5p) 0.00005 0.82621 12 Tc 1 px Ryd( 7p) 0.00004 6.01109 13 Tc 1 py Cor( 4p) 0.99990 -1.72008 14 Tc 1 py Ryd( 6p) 0.00119 5.85589 15 Tc 1 py Ryd( 8p) 0.00048 6.54951 16 Tc 1 py Ryd( 5p) 0.00014 0.53352 17 Tc 1 py Ryd( 7p) 0.00001 5.23142 18 Tc 1 pz Cor( 4p) 0.99990 -1.72225 19 Tc 1 pz Ryd( 6p) 0.00190 2.65288 20 Tc 1 pz Ryd( 8p) 0.00059 4.55510 21 Tc 1 pz Ryd( 5p) 0.00012 0.56411 22 Tc 1 pz Ryd( 7p) 0.00002 3.75553 23 Tc 1 dxy Val( 4d) 0.54665 -0.18374 24 Tc 1 dxy Ryd( 5d) 0.00254 1.39713 25 Tc 1 dxy Ryd( 6d) 0.00020 4.50985 26 Tc 1 dxy Ryd( 7d) 0.00004 5.44204 27 Tc 1 dxz Val( 4d) 0.85884 -0.18882 28 Tc 1 dxz Ryd( 5d) 0.00247 0.75309 29 Tc 1 dxz Ryd( 6d) 0.00048 2.45768 30 Tc 1 dxz Ryd( 7d) 0.00001 3.47640 31 Tc 1 dyz Val( 4d) 0.56086 -0.20780 32 Tc 1 dyz Ryd( 5d) 0.00170 1.29502 33 Tc 1 dyz Ryd( 6d) 0.00026 2.49911 34 Tc 1 dyz Ryd( 7d) 0.00005 4.63770 35 Tc 1 dx2y2 Val( 4d) 0.90229 -0.19508 36 Tc 1 dx2y2 Ryd( 5d) 0.00226 1.01599 37 Tc 1 dx2y2 Ryd( 6d) 0.00025 3.06738 38 Tc 1 dx2y2 Ryd( 7d) 0.00003 5.40818 39 Tc 1 dz2 Val( 4d) 0.52958 -0.19919 40 Tc 1 dz2 Ryd( 5d) 0.00283 0.81344 41 Tc 1 dz2 Ryd( 6d) 0.00017 2.34325 42 Tc 1 dz2 Ryd( 7d) 0.00003 4.47487 43 Tc 1 f(0) Ryd( 4f) 0.00057 1.71743 44 Tc 1 f(0) Ryd( 5f) 0.00047 2.59688 45 Tc 1 f(0) Ryd( 6f) 0.00004 2.95968 46 Tc 1 f(0) Ryd( 7f) 0.00000 5.26366 47 Tc 1 f(c1) Ryd( 4f) 0.00201 1.21995 48 Tc 1 f(c1) Ryd( 5f) 0.00040 2.46716 49 Tc 1 f(c1) Ryd( 6f) 0.00005 2.94421 50 Tc 1 f(c1) Ryd( 7f) 0.00000 5.66211 51 Tc 1 f(s1) Ryd( 4f) 0.00153 1.99065 52 Tc 1 f(s1) Ryd( 5f) 0.00054 3.51438 53 Tc 1 f(s1) Ryd( 6f) 0.00004 3.46832 54 Tc 1 f(s1) Ryd( 7f) 0.00000 5.63517 55 Tc 1 f(c2) Ryd( 4f) 0.00149 1.79824 56 Tc 1 f(c2) Ryd( 5f) 0.00033 3.11847 57 Tc 1 f(c2) Ryd( 6f) 0.00005 3.25150 58 Tc 1 f(c2) Ryd( 7f) 0.00000 5.60996 59 Tc 1 f(s2) Ryd( 4f) 0.00151 1.94185 60 Tc 1 f(s2) Ryd( 5f) 0.00026 3.72852 61 Tc 1 f(s2) Ryd( 6f) 0.00006 3.29186 62 Tc 1 f(s2) Ryd( 7f) 0.00000 5.19345 63 Tc 1 f(c3) Ryd( 4f) 0.00115 2.11267 64 Tc 1 f(c3) Ryd( 5f) 0.00024 3.76470 65 Tc 1 f(c3) Ryd( 6f) 0.00005 3.28387 66 Tc 1 f(c3) Ryd( 7f) 0.00001 5.74620 67 Tc 1 f(s3) Ryd( 4f) 0.00128 2.50138 68 Tc 1 f(s3) Ryd( 5f) 0.00028 3.26018 69 Tc 1 f(s3) Ryd( 6f) 0.00004 3.69398 70 Tc 1 f(s3) Ryd( 7f) 0.00000 5.52676 71 Tc 1 g(0) Ryd( 5g) 0.00011 2.91462 72 Tc 1 g(0) Ryd( 6g) 0.00000 5.45270 73 Tc 1 g(c1) Ryd( 5g) 0.00006 2.67397 74 Tc 1 g(c1) Ryd( 6g) 0.00000 5.49441 75 Tc 1 g(s1) Ryd( 5g) 0.00009 3.17947 76 Tc 1 g(s1) Ryd( 6g) 0.00001 5.49162 77 Tc 1 g(c2) Ryd( 5g) 0.00012 2.94659 78 Tc 1 g(c2) Ryd( 6g) 0.00000 5.44517 79 Tc 1 g(s2) Ryd( 5g) 0.00016 3.18358 80 Tc 1 g(s2) Ryd( 6g) 0.00000 5.56600 81 Tc 1 g(c3) Ryd( 5g) 0.00017 3.18382 82 Tc 1 g(c3) Ryd( 6g) 0.00000 5.38633 83 Tc 1 g(s3) Ryd( 5g) 0.00005 3.06643 84 Tc 1 g(s3) Ryd( 6g) 0.00000 5.40835 85 Tc 1 g(c4) Ryd( 5g) 0.00009 3.31178 86 Tc 1 g(c4) Ryd( 6g) 0.00001 5.47087 87 Tc 1 g(s4) Ryd( 5g) 0.00006 3.30512 88 Tc 1 g(s4) Ryd( 6g) 0.00001 5.52734 89 S 2 s Cor( 1s) 1.00000 -87.19372 90 S 2 s Cor( 2s) 1.00000 -9.37629 91 S 2 s Val( 3s) 0.88621 -0.54527 92 S 2 s Ryd( 4s) 0.00126 3.76838 93 S 2 s Ryd( 5s) 0.00004 5.19751 94 S 2 s Ryd( 6s) 0.00000 8.53423 95 S 2 s Ryd( 7s) 0.00000 40.34939 96 S 2 s Ryd( 9s) 0.00000 428.42877 97 S 2 s Ryd( 8s) 0.00000 76.96737 98 S 2 px Cor( 2p) 1.00000 -5.87683 99 S 2 px Val( 3p) 0.50724 -0.19749 100 S 2 px Ryd( 4p) 0.00160 1.30332 101 S 2 px Ryd( 5p) 0.00009 1.47667 102 S 2 px Ryd( 6p) 0.00001 4.92517 103 S 2 px Ryd( 7p) 0.00000 28.32721 104 S 2 py Cor( 2p) 1.00000 -5.86874 105 S 2 py Val( 3p) 0.79025 -0.22479 106 S 2 py Ryd( 4p) 0.00154 0.98093 107 S 2 py Ryd( 5p) 0.00011 1.25136 108 S 2 py Ryd( 6p) 0.00000 4.18755 109 S 2 py Ryd( 7p) 0.00000 28.35372 110 S 2 pz Cor( 2p) 1.00000 -5.86772 111 S 2 pz Val( 3p) 0.82081 -0.22313 112 S 2 pz Ryd( 4p) 0.00111 1.30032 113 S 2 pz Ryd( 5p) 0.00012 1.35310 114 S 2 pz Ryd( 6p) 0.00001 5.16247 115 S 2 pz Ryd( 7p) 0.00000 28.34211 116 S 2 dxy Ryd( 3d) 0.00303 0.84995 117 S 2 dxy Ryd( 4d) 0.00024 1.55963 118 S 2 dxy Ryd( 5d) 0.00000 4.05864 119 S 2 dxy Ryd( 6d) 0.00000 8.35352 120 S 2 dxz Ryd( 3d) 0.00352 1.09137 121 S 2 dxz Ryd( 4d) 0.00046 1.68629 122 S 2 dxz Ryd( 5d) 0.00001 4.30374 123 S 2 dxz Ryd( 6d) 0.00000 8.22661 124 S 2 dyz Ryd( 3d) 0.00302 1.05496 125 S 2 dyz Ryd( 4d) 0.00033 1.66423 126 S 2 dyz Ryd( 5d) 0.00000 4.24595 127 S 2 dyz Ryd( 6d) 0.00000 8.20053 128 S 2 dx2y2 Ryd( 3d) 0.00428 1.09153 129 S 2 dx2y2 Ryd( 4d) 0.00033 1.80112 130 S 2 dx2y2 Ryd( 5d) 0.00001 4.33626 131 S 2 dx2y2 Ryd( 6d) 0.00000 8.19834 132 S 2 dz2 Ryd( 3d) 0.00308 1.37867 133 S 2 dz2 Ryd( 4d) 0.00045 1.92728 134 S 2 dz2 Ryd( 5d) 0.00000 4.37641 135 S 2 dz2 Ryd( 6d) 0.00000 8.12824 136 S 2 f(0) Ryd( 4f) 0.00005 2.10479 137 S 2 f(0) Ryd( 5f) 0.00003 3.70621 138 S 2 f(c1) Ryd( 4f) 0.00012 2.18300 139 S 2 f(c1) Ryd( 5f) 0.00003 4.08374 140 S 2 f(s1) Ryd( 4f) 0.00014 1.98460 141 S 2 f(s1) Ryd( 5f) 0.00002 3.91523 142 S 2 f(c2) Ryd( 4f) 0.00014 2.09552 143 S 2 f(c2) Ryd( 5f) 0.00004 3.72586 144 S 2 f(s2) Ryd( 4f) 0.00011 1.86106 145 S 2 f(s2) Ryd( 5f) 0.00001 3.74203 146 S 2 f(c3) Ryd( 4f) 0.00025 2.02644 147 S 2 f(c3) Ryd( 5f) 0.00002 3.95313 148 S 2 f(s3) Ryd( 4f) 0.00018 1.96497 149 S 2 f(s3) Ryd( 5f) 0.00002 3.80815 150 S 2 g(0) Ryd( 5g) 0.00001 3.79750 151 S 2 g(c1) Ryd( 5g) 0.00001 3.75499 152 S 2 g(s1) Ryd( 5g) 0.00001 3.69515 153 S 2 g(c2) Ryd( 5g) 0.00002 3.80535 154 S 2 g(s2) Ryd( 5g) 0.00001 3.63142 155 S 2 g(c3) Ryd( 5g) 0.00001 3.63896 156 S 2 g(s3) Ryd( 5g) 0.00000 3.61467 157 S 2 g(c4) Ryd( 5g) 0.00002 3.68399 158 S 2 g(s4) Ryd( 5g) 0.00001 3.65929 159 S 3 s Cor( 1s) 1.00000 -87.72951 160 S 3 s Cor( 2s) 1.00000 -8.89642 161 S 3 s Val( 3s) 0.89701 -0.57849 162 S 3 s Ryd( 4s) 0.00203 2.04338 163 S 3 s Ryd( 6s) 0.00006 8.00873 164 S 3 s Ryd( 5s) 0.00000 6.31163 165 S 3 s Ryd( 7s) 0.00000 42.11450 166 S 3 s Ryd( 9s) 0.00000 260.20477 167 S 3 s Ryd( 8s) 0.00000 239.33678 168 S 3 px Cor( 2p) 1.00000 -5.90112 169 S 3 px Val( 3p) 0.59339 -0.22247 170 S 3 px Ryd( 4p) 0.00195 0.99611 171 S 3 px Ryd( 5p) 0.00013 1.14528 172 S 3 px Ryd( 6p) 0.00001 6.53276 173 S 3 px Ryd( 7p) 0.00000 28.02901 174 S 3 py Cor( 2p) 1.00000 -5.89509 175 S 3 py Val( 3p) 0.80438 -0.24015 176 S 3 py Ryd( 4p) 0.00123 0.64370 177 S 3 py Ryd( 5p) 0.00011 1.23446 178 S 3 py Ryd( 6p) 0.00000 5.08908 179 S 3 py Ryd( 7p) 0.00000 28.27725 180 S 3 pz Cor( 2p) 1.00000 -5.89859 181 S 3 pz Val( 3p) 0.68496 -0.23249 182 S 3 pz Ryd( 4p) 0.00159 0.82110 183 S 3 pz Ryd( 5p) 0.00011 1.16719 184 S 3 pz Ryd( 6p) 0.00000 5.64618 185 S 3 pz Ryd( 7p) 0.00000 28.16099 186 S 3 dxy Ryd( 3d) 0.00409 0.63919 187 S 3 dxy Ryd( 4d) 0.00006 1.69838 188 S 3 dxy Ryd( 5d) 0.00001 3.84821 189 S 3 dxy Ryd( 6d) 0.00000 8.44653 190 S 3 dxz Ryd( 3d) 0.00526 0.66684 191 S 3 dxz Ryd( 4d) 0.00014 1.80211 192 S 3 dxz Ryd( 5d) 0.00001 3.94979 193 S 3 dxz Ryd( 6d) 0.00000 8.49234 194 S 3 dyz Ryd( 3d) 0.00496 0.71294 195 S 3 dyz Ryd( 4d) 0.00008 1.83593 196 S 3 dyz Ryd( 5d) 0.00001 3.98427 197 S 3 dyz Ryd( 6d) 0.00000 8.40184 198 S 3 dx2y2 Ryd( 3d) 0.00697 0.71923 199 S 3 dx2y2 Ryd( 4d) 0.00008 1.82403 200 S 3 dx2y2 Ryd( 5d) 0.00001 4.18798 201 S 3 dx2y2 Ryd( 6d) 0.00000 8.15496 202 S 3 dz2 Ryd( 3d) 0.00484 0.68284 203 S 3 dz2 Ryd( 4d) 0.00010 1.84882 204 S 3 dz2 Ryd( 5d) 0.00001 3.94554 205 S 3 dz2 Ryd( 6d) 0.00000 8.29287 206 S 3 f(0) Ryd( 4f) 0.00012 1.70119 207 S 3 f(0) Ryd( 5f) 0.00001 3.66558 208 S 3 f(c1) Ryd( 4f) 0.00026 1.75349 209 S 3 f(c1) Ryd( 5f) 0.00001 3.85866 210 S 3 f(s1) Ryd( 4f) 0.00039 1.68184 211 S 3 f(s1) Ryd( 5f) 0.00001 3.85008 212 S 3 f(c2) Ryd( 4f) 0.00024 1.76149 213 S 3 f(c2) Ryd( 5f) 0.00002 3.74043 214 S 3 f(s2) Ryd( 4f) 0.00025 1.68170 215 S 3 f(s2) Ryd( 5f) 0.00001 3.76594 216 S 3 f(c3) Ryd( 4f) 0.00035 1.78683 217 S 3 f(c3) Ryd( 5f) 0.00002 3.84027 218 S 3 f(s3) Ryd( 4f) 0.00024 1.71703 219 S 3 f(s3) Ryd( 5f) 0.00001 3.69908 220 S 3 g(0) Ryd( 5g) 0.00001 3.57997 221 S 3 g(c1) Ryd( 5g) 0.00002 3.59100 222 S 3 g(s1) Ryd( 5g) 0.00002 3.58438 223 S 3 g(c2) Ryd( 5g) 0.00003 3.60349 224 S 3 g(s2) Ryd( 5g) 0.00002 3.56765 225 S 3 g(c3) Ryd( 5g) 0.00002 3.58550 226 S 3 g(s3) Ryd( 5g) 0.00001 3.55853 227 S 3 g(c4) Ryd( 5g) 0.00003 3.60003 228 S 3 g(s4) Ryd( 5g) 0.00003 3.60891 229 S 4 s Cor( 1s) 1.00000 -87.99390 230 S 4 s Cor( 2s) 1.00000 -8.63143 231 S 4 s Val( 3s) 0.90102 -0.58077 232 S 4 s Ryd( 4s) 0.00211 1.93398 233 S 4 s Ryd( 5s) 0.00002 7.13709 234 S 4 s Ryd( 6s) 0.00000 9.91710 235 S 4 s Ryd( 7s) 0.00000 43.44546 236 S 4 s Ryd( 8s) 0.00000 212.47050 237 S 4 s Ryd( 9s) 0.00000 284.48781 238 S 4 px Cor( 2p) 1.00000 -5.89369 239 S 4 px Val( 3p) 0.86058 -0.24477 240 S 4 px Ryd( 4p) 0.00119 0.58628 241 S 4 px Ryd( 5p) 0.00010 1.26251 242 S 4 px Ryd( 6p) 0.00000 4.57102 243 S 4 px Ryd( 7p) 0.00000 28.32472 244 S 4 py Cor( 2p) 1.00000 -5.89681 245 S 4 py Val( 3p) 0.73448 -0.23791 246 S 4 py Ryd( 4p) 0.00066 0.54891 247 S 4 py Ryd( 5p) 0.00013 1.26886 248 S 4 py Ryd( 6p) 0.00000 5.74012 249 S 4 py Ryd( 7p) 0.00000 28.22259 250 S 4 pz Cor( 2p) 1.00000 -5.90373 251 S 4 pz Val( 3p) 0.48522 -0.21214 252 S 4 pz Ryd( 4p) 0.00259 0.72830 253 S 4 pz Ryd( 5p) 0.00010 1.38886 254 S 4 pz Ryd( 6p) 0.00000 6.48557 255 S 4 pz Ryd( 7p) 0.00000 27.86899 256 S 4 dxy Ryd( 3d) 0.00365 0.54182 257 S 4 dxy Ryd( 4d) 0.00008 1.69640 258 S 4 dxy Ryd( 5d) 0.00000 3.59598 259 S 4 dxy Ryd( 6d) 0.00000 8.61567 260 S 4 dxz Ryd( 3d) 0.00390 0.67234 261 S 4 dxz Ryd( 4d) 0.00007 1.84268 262 S 4 dxz Ryd( 5d) 0.00001 3.83393 263 S 4 dxz Ryd( 6d) 0.00000 8.39058 264 S 4 dyz Ryd( 3d) 0.00868 0.87350 265 S 4 dyz Ryd( 4d) 0.00004 2.33450 266 S 4 dyz Ryd( 5d) 0.00001 4.15202 267 S 4 dyz Ryd( 6d) 0.00000 8.14261 268 S 4 dx2y2 Ryd( 3d) 0.00246 0.55425 269 S 4 dx2y2 Ryd( 4d) 0.00002 1.67344 270 S 4 dx2y2 Ryd( 5d) 0.00001 3.57832 271 S 4 dx2y2 Ryd( 6d) 0.00000 8.63864 272 S 4 dz2 Ryd( 3d) 0.00674 0.69718 273 S 4 dz2 Ryd( 4d) 0.00004 1.89389 274 S 4 dz2 Ryd( 5d) 0.00001 4.11391 275 S 4 dz2 Ryd( 6d) 0.00000 8.50398 276 S 4 f(0) Ryd( 4f) 0.00025 1.82339 277 S 4 f(0) Ryd( 5f) 0.00001 3.69573 278 S 4 f(c1) Ryd( 4f) 0.00038 1.75901 279 S 4 f(c1) Ryd( 5f) 0.00002 3.83947 280 S 4 f(s1) Ryd( 4f) 0.00059 2.02478 281 S 4 f(s1) Ryd( 5f) 0.00002 4.15172 282 S 4 f(c2) Ryd( 4f) 0.00010 1.69837 283 S 4 f(c2) Ryd( 5f) 0.00001 3.72398 284 S 4 f(s2) Ryd( 4f) 0.00030 1.69366 285 S 4 f(s2) Ryd( 5f) 0.00001 3.81508 286 S 4 f(c3) Ryd( 4f) 0.00011 1.44476 287 S 4 f(c3) Ryd( 5f) 0.00000 3.59864 288 S 4 f(s3) Ryd( 4f) 0.00011 1.42299 289 S 4 f(s3) Ryd( 5f) 0.00000 3.54587 290 S 4 g(0) Ryd( 5g) 0.00002 3.61849 291 S 4 g(c1) Ryd( 5g) 0.00002 3.57789 292 S 4 g(s1) Ryd( 5g) 0.00004 3.74082 293 S 4 g(c2) Ryd( 5g) 0.00003 3.67683 294 S 4 g(s2) Ryd( 5g) 0.00004 3.68826 295 S 4 g(c3) Ryd( 5g) 0.00002 3.56343 296 S 4 g(s3) Ryd( 5g) 0.00001 3.54608 297 S 4 g(c4) Ryd( 5g) 0.00000 3.32067 298 S 4 g(s4) Ryd( 5g) 0.00000 3.33283 299 S 5 s Cor( 1s) 1.00000 -87.72005 300 S 5 s Cor( 2s) 1.00000 -8.90640 301 S 5 s Val( 3s) 0.89610 -0.57821 302 S 5 s Ryd( 4s) 0.00204 2.09221 303 S 5 s Ryd( 6s) 0.00005 8.04564 304 S 5 s Ryd( 5s) 0.00000 6.67243 305 S 5 s Ryd( 7s) 0.00000 41.80889 306 S 5 s Ryd( 9s) 0.00000 253.35057 307 S 5 s Ryd( 8s) 0.00000 245.97628 308 S 5 px Cor( 2p) 1.00000 -5.90163 309 S 5 px Val( 3p) 0.58360 -0.22173 310 S 5 px Ryd( 4p) 0.00201 0.97262 311 S 5 px Ryd( 5p) 0.00013 1.15866 312 S 5 px Ryd( 6p) 0.00001 6.55111 313 S 5 px Ryd( 7p) 0.00000 27.98532 314 S 5 py Cor( 2p) 1.00000 -5.89410 315 S 5 py Val( 3p) 0.84916 -0.24246 316 S 5 py Ryd( 4p) 0.00145 0.61177 317 S 5 py Ryd( 5p) 0.00011 1.23786 318 S 5 py Ryd( 6p) 0.00000 4.62039 319 S 5 py Ryd( 7p) 0.00000 28.33072 320 S 5 pz Cor( 2p) 1.00000 -5.89988 321 S 5 pz Val( 3p) 0.64962 -0.23148 322 S 5 pz Ryd( 4p) 0.00140 0.82354 323 S 5 pz Ryd( 5p) 0.00012 1.17103 324 S 5 pz Ryd( 6p) 0.00001 6.21873 325 S 5 pz Ryd( 7p) 0.00000 28.12346 326 S 5 dxy Ryd( 3d) 0.00359 0.63842 327 S 5 dxy Ryd( 4d) 0.00005 1.71071 328 S 5 dxy Ryd( 5d) 0.00001 3.85613 329 S 5 dxy Ryd( 6d) 0.00000 8.43398 330 S 5 dxz Ryd( 3d) 0.00580 0.67043 331 S 5 dxz Ryd( 4d) 0.00014 1.81225 332 S 5 dxz Ryd( 5d) 0.00001 3.96642 333 S 5 dxz Ryd( 6d) 0.00000 8.47056 334 S 5 dyz Ryd( 3d) 0.00386 0.66286 335 S 5 dyz Ryd( 4d) 0.00005 1.73849 336 S 5 dyz Ryd( 5d) 0.00001 3.86393 337 S 5 dyz Ryd( 6d) 0.00000 8.47495 338 S 5 dx2y2 Ryd( 3d) 0.00665 0.69044 339 S 5 dx2y2 Ryd( 4d) 0.00008 1.75353 340 S 5 dx2y2 Ryd( 5d) 0.00001 4.19772 341 S 5 dx2y2 Ryd( 6d) 0.00000 8.20944 342 S 5 dz2 Ryd( 3d) 0.00621 0.75114 343 S 5 dz2 Ryd( 4d) 0.00011 2.01840 344 S 5 dz2 Ryd( 5d) 0.00001 4.07752 345 S 5 dz2 Ryd( 6d) 0.00000 8.16205 346 S 5 f(0) Ryd( 4f) 0.00016 1.73711 347 S 5 f(0) Ryd( 5f) 0.00002 3.70716 348 S 5 f(c1) Ryd( 4f) 0.00032 1.84629 349 S 5 f(c1) Ryd( 5f) 0.00001 3.98059 350 S 5 f(s1) Ryd( 4f) 0.00032 1.68652 351 S 5 f(s1) Ryd( 5f) 0.00001 3.83082 352 S 5 f(c2) Ryd( 4f) 0.00019 1.69367 353 S 5 f(c2) Ryd( 5f) 0.00002 3.64939 354 S 5 f(s2) Ryd( 4f) 0.00020 1.63512 355 S 5 f(s2) Ryd( 5f) 0.00001 3.71655 356 S 5 f(c3) Ryd( 4f) 0.00037 1.77466 357 S 5 f(c3) Ryd( 5f) 0.00001 3.82147 358 S 5 f(s3) Ryd( 4f) 0.00030 1.72868 359 S 5 f(s3) Ryd( 5f) 0.00001 3.71958 360 S 5 g(0) Ryd( 5g) 0.00001 3.63983 361 S 5 g(c1) Ryd( 5g) 0.00003 3.64276 362 S 5 g(s1) Ryd( 5g) 0.00002 3.57308 363 S 5 g(c2) Ryd( 5g) 0.00002 3.61808 364 S 5 g(s2) Ryd( 5g) 0.00002 3.57614 365 S 5 g(c3) Ryd( 5g) 0.00001 3.52471 366 S 5 g(s3) Ryd( 5g) 0.00001 3.51063 367 S 5 g(c4) Ryd( 5g) 0.00003 3.60620 368 S 5 g(s4) Ryd( 5g) 0.00003 3.63045 369 S 6 s Cor( 1s) 1.00000 -87.16519 370 S 6 s Cor( 2s) 1.00000 -9.40688 371 S 6 s Val( 3s) 0.88612 -0.54624 372 S 6 s Ryd( 4s) 0.00145 3.87183 373 S 6 s Ryd( 5s) 0.00004 5.00477 374 S 6 s Ryd( 6s) 0.00000 8.57493 375 S 6 s Ryd( 7s) 0.00000 40.53198 376 S 6 s Ryd( 9s) 0.00000 428.17701 377 S 6 s Ryd( 8s) 0.00000 76.97983 378 S 6 px Cor( 2p) 1.00000 -5.87783 379 S 6 px Val( 3p) 0.50767 -0.19734 380 S 6 px Ryd( 4p) 0.00156 1.27560 381 S 6 px Ryd( 5p) 0.00008 1.64135 382 S 6 px Ryd( 6p) 0.00001 4.83041 383 S 6 px Ryd( 7p) 0.00000 28.32361 384 S 6 py Cor( 2p) 1.00000 -5.86993 385 S 6 py Val( 3p) 0.78707 -0.22671 386 S 6 py Ryd( 4p) 0.00161 1.01051 387 S 6 py Ryd( 5p) 0.00011 1.33128 388 S 6 py Ryd( 6p) 0.00000 4.46098 389 S 6 py Ryd( 7p) 0.00000 28.34294 390 S 6 pz Cor( 2p) 1.00000 -5.86863 391 S 6 pz Val( 3p) 0.82721 -0.22355 392 S 6 pz Ryd( 4p) 0.00108 1.19593 393 S 6 pz Ryd( 5p) 0.00012 1.37433 394 S 6 pz Ryd( 6p) 0.00001 4.87216 395 S 6 pz Ryd( 7p) 0.00000 28.34235 396 S 6 dxy Ryd( 3d) 0.00356 0.90337 397 S 6 dxy Ryd( 4d) 0.00020 1.60714 398 S 6 dxy Ryd( 5d) 0.00000 4.04272 399 S 6 dxy Ryd( 6d) 0.00000 8.35350 400 S 6 dxz Ryd( 3d) 0.00310 0.99464 401 S 6 dxz Ryd( 4d) 0.00045 1.68699 402 S 6 dxz Ryd( 5d) 0.00001 4.17279 403 S 6 dxz Ryd( 6d) 0.00000 8.32946 404 S 6 dyz Ryd( 3d) 0.00340 1.12768 405 S 6 dyz Ryd( 4d) 0.00038 1.71800 406 S 6 dyz Ryd( 5d) 0.00001 4.31531 407 S 6 dyz Ryd( 6d) 0.00000 8.10227 408 S 6 dx2y2 Ryd( 3d) 0.00468 1.18050 409 S 6 dx2y2 Ryd( 4d) 0.00037 2.00876 410 S 6 dx2y2 Ryd( 5d) 0.00001 4.42108 411 S 6 dx2y2 Ryd( 6d) 0.00000 8.21453 412 S 6 dz2 Ryd( 3d) 0.00232 1.24497 413 S 6 dz2 Ryd( 4d) 0.00032 1.87922 414 S 6 dz2 Ryd( 5d) 0.00000 4.22811 415 S 6 dz2 Ryd( 6d) 0.00000 8.27046 416 S 6 f(0) Ryd( 4f) 0.00007 1.99835 417 S 6 f(0) Ryd( 5f) 0.00003 3.63045 418 S 6 f(c1) Ryd( 4f) 0.00014 2.07672 419 S 6 f(c1) Ryd( 5f) 0.00003 4.04264 420 S 6 f(s1) Ryd( 4f) 0.00016 1.97165 421 S 6 f(s1) Ryd( 5f) 0.00002 3.93948 422 S 6 f(c2) Ryd( 4f) 0.00015 2.18797 423 S 6 f(c2) Ryd( 5f) 0.00004 3.73964 424 S 6 f(s2) Ryd( 4f) 0.00012 1.89328 425 S 6 f(s2) Ryd( 5f) 0.00001 3.74479 426 S 6 f(c3) Ryd( 4f) 0.00024 2.09029 427 S 6 f(c3) Ryd( 5f) 0.00002 3.97793 428 S 6 f(s3) Ryd( 4f) 0.00017 2.02539 429 S 6 f(s3) Ryd( 5f) 0.00003 3.83108 430 S 6 g(0) Ryd( 5g) 0.00001 3.69520 431 S 6 g(c1) Ryd( 5g) 0.00001 3.69872 432 S 6 g(s1) Ryd( 5g) 0.00001 3.76520 433 S 6 g(c2) Ryd( 5g) 0.00002 3.76038 434 S 6 g(s2) Ryd( 5g) 0.00001 3.65041 435 S 6 g(c3) Ryd( 5g) 0.00001 3.66853 436 S 6 g(s3) Ryd( 5g) 0.00000 3.67168 437 S 6 g(c4) Ryd( 5g) 0.00002 3.71785 438 S 6 g(s4) Ryd( 5g) 0.00002 3.68434 439 C 7 s Cor( 1s) 0.99999 -10.19389 440 C 7 s Val( 2s) 0.60302 -0.29550 441 C 7 s Ryd( 3s) 0.00112 2.99356 442 C 7 s Ryd( 4s) 0.00002 4.64144 443 C 7 s Ryd( 5s) 0.00000 10.32478 444 C 7 s Ryd( 6s) 0.00000 13.92174 445 C 7 s Ryd( 7s) 0.00000 132.98497 446 C 7 px Val( 2p) 0.61620 -0.11903 447 C 7 px Ryd( 3p) 0.00037 0.90958 448 C 7 px Ryd( 4p) 0.00007 1.04845 449 C 7 px Ryd( 5p) 0.00000 5.02640 450 C 7 py Val( 2p) 0.61936 -0.11637 451 C 7 py Ryd( 3p) 0.00034 0.87460 452 C 7 py Ryd( 4p) 0.00004 1.17838 453 C 7 py Ryd( 5p) 0.00000 4.83301 454 C 7 pz Val( 2p) 0.62224 -0.13398 455 C 7 pz Ryd( 3p) 0.00092 1.02156 456 C 7 pz Ryd( 4p) 0.00006 1.62584 457 C 7 pz Ryd( 5p) 0.00000 6.39474 458 C 7 dxy Ryd( 3d) 0.00094 1.79174 459 C 7 dxy Ryd( 4d) 0.00002 4.07417 460 C 7 dxy Ryd( 5d) 0.00000 8.02374 461 C 7 dxz Ryd( 3d) 0.00119 1.94834 462 C 7 dxz Ryd( 4d) 0.00005 3.72818 463 C 7 dxz Ryd( 5d) 0.00000 8.07349 464 C 7 dyz Ryd( 3d) 0.00066 1.79749 465 C 7 dyz Ryd( 4d) 0.00007 3.94892 466 C 7 dyz Ryd( 5d) 0.00000 8.11774 467 C 7 dx2y2 Ryd( 3d) 0.00086 1.71913 468 C 7 dx2y2 Ryd( 4d) 0.00003 3.81844 469 C 7 dx2y2 Ryd( 5d) 0.00000 7.67502 470 C 7 dz2 Ryd( 3d) 0.00123 2.15581 471 C 7 dz2 Ryd( 4d) 0.00009 3.70512 472 C 7 dz2 Ryd( 5d) 0.00000 8.11033 473 C 7 f(0) Ryd( 4f) 0.00014 2.91810 474 C 7 f(0) Ryd( 5f) 0.00001 7.55529 475 C 7 f(c1) Ryd( 4f) 0.00020 3.03244 476 C 7 f(c1) Ryd( 5f) 0.00001 7.72267 477 C 7 f(s1) Ryd( 4f) 0.00007 3.01264 478 C 7 f(s1) Ryd( 5f) 0.00001 8.24579 479 C 7 f(c2) Ryd( 4f) 0.00012 3.00392 480 C 7 f(c2) Ryd( 5f) 0.00000 7.96949 481 C 7 f(s2) Ryd( 4f) 0.00019 3.13892 482 C 7 f(s2) Ryd( 5f) 0.00000 8.18736 483 C 7 f(c3) Ryd( 4f) 0.00002 2.97056 484 C 7 f(c3) Ryd( 5f) 0.00000 8.49635 485 C 7 f(s3) Ryd( 4f) 0.00018 3.34312 486 C 7 f(s3) Ryd( 5f) 0.00000 8.20033 487 C 7 g(0) Ryd( 5g) 0.00003 5.89798 488 C 7 g(c1) Ryd( 5g) 0.00006 6.02073 489 C 7 g(s1) Ryd( 5g) 0.00004 5.96338 490 C 7 g(c2) Ryd( 5g) 0.00004 5.93546 491 C 7 g(s2) Ryd( 5g) 0.00007 5.99044 492 C 7 g(c3) Ryd( 5g) 0.00005 5.95278 493 C 7 g(s3) Ryd( 5g) 0.00008 5.98251 494 C 7 g(c4) Ryd( 5g) 0.00005 5.95780 495 C 7 g(s4) Ryd( 5g) 0.00006 6.02560 496 C 8 s Cor( 1s) 0.99999 -10.18990 497 C 8 s Val( 2s) 0.60203 -0.29146 498 C 8 s Ryd( 3s) 0.00104 3.01073 499 C 8 s Ryd( 4s) 0.00002 4.85446 500 C 8 s Ryd( 6s) 0.00000 15.06709 501 C 8 s Ryd( 5s) 0.00000 13.29133 502 C 8 s Ryd( 7s) 0.00000 127.22097 503 C 8 px Val( 2p) 0.61922 -0.10944 504 C 8 px Ryd( 3p) 0.00072 0.87821 505 C 8 px Ryd( 4p) 0.00009 1.08749 506 C 8 px Ryd( 5p) 0.00000 4.97317 507 C 8 py Val( 2p) 0.61656 -0.13101 508 C 8 py Ryd( 3p) 0.00064 0.96541 509 C 8 py Ryd( 4p) 0.00010 1.52695 510 C 8 py Ryd( 5p) 0.00000 6.65819 511 C 8 pz Val( 2p) 0.62307 -0.11706 512 C 8 pz Ryd( 3p) 0.00039 0.84042 513 C 8 pz Ryd( 4p) 0.00005 1.17147 514 C 8 pz Ryd( 5p) 0.00000 5.36187 515 C 8 dxy Ryd( 3d) 0.00043 1.72476 516 C 8 dxy Ryd( 4d) 0.00010 3.92899 517 C 8 dxy Ryd( 5d) 0.00000 8.16664 518 C 8 dxz Ryd( 3d) 0.00089 1.67737 519 C 8 dxz Ryd( 4d) 0.00004 3.74492 520 C 8 dxz Ryd( 5d) 0.00000 7.50890 521 C 8 dyz Ryd( 3d) 0.00119 2.07493 522 C 8 dyz Ryd( 4d) 0.00004 3.62688 523 C 8 dyz Ryd( 5d) 0.00000 8.08068 524 C 8 dx2y2 Ryd( 3d) 0.00160 2.15948 525 C 8 dx2y2 Ryd( 4d) 0.00003 3.81926 526 C 8 dx2y2 Ryd( 5d) 0.00000 8.29345 527 C 8 dz2 Ryd( 3d) 0.00083 1.82745 528 C 8 dz2 Ryd( 4d) 0.00004 4.11631 529 C 8 dz2 Ryd( 5d) 0.00000 8.29614 530 C 8 f(0) Ryd( 4f) 0.00031 3.34032 531 C 8 f(0) Ryd( 5f) 0.00000 8.13433 532 C 8 f(c1) Ryd( 4f) 0.00008 3.13820 533 C 8 f(c1) Ryd( 5f) 0.00000 8.41431 534 C 8 f(s1) Ryd( 4f) 0.00004 2.89592 535 C 8 f(s1) Ryd( 5f) 0.00001 8.14081 536 C 8 f(c2) Ryd( 4f) 0.00004 2.99872 537 C 8 f(c2) Ryd( 5f) 0.00001 7.75538 538 C 8 f(s2) Ryd( 4f) 0.00007 2.99403 539 C 8 f(s2) Ryd( 5f) 0.00000 7.79960 540 C 8 f(c3) Ryd( 4f) 0.00002 2.91954 541 C 8 f(c3) Ryd( 5f) 0.00001 8.38090 542 C 8 f(s3) Ryd( 4f) 0.00037 3.19869 543 C 8 f(s3) Ryd( 5f) 0.00000 7.70337 544 C 8 g(0) Ryd( 5g) 0.00010 5.99631 545 C 8 g(c1) Ryd( 5g) 0.00007 6.00271 546 C 8 g(s1) Ryd( 5g) 0.00007 5.93810 547 C 8 g(c2) Ryd( 5g) 0.00001 5.93567 548 C 8 g(s2) Ryd( 5g) 0.00003 5.94781 549 C 8 g(c3) Ryd( 5g) 0.00001 5.91068 550 C 8 g(s3) Ryd( 5g) 0.00006 6.11901 551 C 8 g(c4) Ryd( 5g) 0.00008 5.96839 552 C 8 g(s4) Ryd( 5g) 0.00006 5.94495 553 C 9 s Cor( 1s) 0.99999 -10.19906 554 C 9 s Val( 2s) 0.60254 -0.29955 555 C 9 s Ryd( 3s) 0.00105 2.98893 556 C 9 s Ryd( 4s) 0.00002 4.78104 557 C 9 s Ryd( 5s) 0.00000 9.34517 558 C 9 s Ryd( 6s) 0.00000 23.43402 559 C 9 s Ryd( 7s) 0.00000 122.15204 560 C 9 px Val( 2p) 0.61757 -0.13246 561 C 9 px Ryd( 3p) 0.00062 0.98363 562 C 9 px Ryd( 4p) 0.00008 1.44883 563 C 9 px Ryd( 5p) 0.00000 5.79890 564 C 9 py Val( 2p) 0.61882 -0.12363 565 C 9 py Ryd( 3p) 0.00057 0.95744 566 C 9 py Ryd( 4p) 0.00004 1.27824 567 C 9 py Ryd( 5p) 0.00000 5.49468 568 C 9 pz Val( 2p) 0.62031 -0.12579 569 C 9 pz Ryd( 3p) 0.00037 0.88932 570 C 9 pz Ryd( 4p) 0.00003 1.28556 571 C 9 pz Ryd( 5p) 0.00000 5.32649 572 C 9 dxy Ryd( 3d) 0.00125 2.14687 573 C 9 dxy Ryd( 4d) 0.00004 4.04202 574 C 9 dxy Ryd( 5d) 0.00000 8.51995 575 C 9 dxz Ryd( 3d) 0.00131 2.02894 576 C 9 dxz Ryd( 4d) 0.00004 3.66870 577 C 9 dxz Ryd( 5d) 0.00000 8.00050 578 C 9 dyz Ryd( 3d) 0.00097 1.86294 579 C 9 dyz Ryd( 4d) 0.00006 3.86018 580 C 9 dyz Ryd( 5d) 0.00000 7.80559 581 C 9 dx2y2 Ryd( 3d) 0.00063 1.67436 582 C 9 dx2y2 Ryd( 4d) 0.00008 3.59489 583 C 9 dx2y2 Ryd( 5d) 0.00000 7.72936 584 C 9 dz2 Ryd( 3d) 0.00067 1.79885 585 C 9 dz2 Ryd( 4d) 0.00005 4.03392 586 C 9 dz2 Ryd( 5d) 0.00000 8.08795 587 C 9 f(0) Ryd( 4f) 0.00022 3.20268 588 C 9 f(0) Ryd( 5f) 0.00000 8.20412 589 C 9 f(c1) Ryd( 4f) 0.00012 3.01152 590 C 9 f(c1) Ryd( 5f) 0.00000 7.84073 591 C 9 f(s1) Ryd( 4f) 0.00006 3.11031 592 C 9 f(s1) Ryd( 5f) 0.00000 8.45737 593 C 9 f(c2) Ryd( 4f) 0.00004 3.04959 594 C 9 f(c2) Ryd( 5f) 0.00001 7.70281 595 C 9 f(s2) Ryd( 4f) 0.00013 2.99503 596 C 9 f(s2) Ryd( 5f) 0.00000 8.11014 597 C 9 f(c3) Ryd( 4f) 0.00006 3.00032 598 C 9 f(c3) Ryd( 5f) 0.00001 8.22216 599 C 9 f(s3) Ryd( 4f) 0.00028 3.13958 600 C 9 f(s3) Ryd( 5f) 0.00000 7.87077 601 C 9 g(0) Ryd( 5g) 0.00007 5.94524 602 C 9 g(c1) Ryd( 5g) 0.00006 5.98004 603 C 9 g(s1) Ryd( 5g) 0.00006 6.03626 604 C 9 g(c2) Ryd( 5g) 0.00002 5.88296 605 C 9 g(s2) Ryd( 5g) 0.00005 5.98255 606 C 9 g(c3) Ryd( 5g) 0.00002 5.95215 607 C 9 g(s3) Ryd( 5g) 0.00006 6.04440 608 C 9 g(c4) Ryd( 5g) 0.00006 5.95381 609 C 9 g(s4) Ryd( 5g) 0.00007 5.96249 610 P 10 s Cor( 1s) 1.00000 -72.78063 611 P 10 s Cor( 2s) 1.00000 -10.68411 612 P 10 s Val( 3s) 0.57337 -0.28500 613 P 10 s Ryd( 4s) 0.00233 3.58734 614 P 10 s Ryd( 5s) 0.00005 4.92045 615 P 10 s Ryd( 6s) 0.00000 7.11611 616 P 10 s Ryd( 7s) 0.00000 19.73936 617 P 10 s Ryd( 9s) 0.00000 227.21894 618 P 10 s Ryd( 8s) 0.00000 199.70588 619 P 10 px Cor( 2p) 1.00000 -4.70738 620 P 10 px Val( 3p) 0.48942 -0.08351 621 P 10 px Ryd( 4p) 0.00193 1.82087 622 P 10 px Ryd( 5p) 0.00010 3.14595 623 P 10 px Ryd( 6p) 0.00001 6.29863 624 P 10 px Ryd( 7p) 0.00000 15.84065 625 P 10 py Cor( 2p) 1.00000 -4.70919 626 P 10 py Val( 3p) 0.41248 -0.07449 627 P 10 py Ryd( 4p) 0.00288 1.36837 628 P 10 py Ryd( 5p) 0.00004 2.16235 629 P 10 py Ryd( 6p) 0.00002 6.07836 630 P 10 py Ryd( 7p) 0.00000 15.79848 631 P 10 pz Cor( 2p) 1.00000 -4.71044 632 P 10 pz Val( 3p) 0.36370 -0.06831 633 P 10 pz Ryd( 4p) 0.00160 1.19487 634 P 10 pz Ryd( 5p) 0.00007 1.43958 635 P 10 pz Ryd( 6p) 0.00002 5.93646 636 P 10 pz Ryd( 7p) 0.00000 15.83867 637 P 10 dxy Ryd( 3d) 0.00309 1.30143 638 P 10 dxy Ryd( 4d) 0.00107 3.20007 639 P 10 dxy Ryd( 5d) 0.00003 5.25616 640 P 10 dxy Ryd( 6d) 0.00000 6.21432 641 P 10 dxz Ryd( 3d) 0.00508 1.32350 642 P 10 dxz Ryd( 4d) 0.00033 2.94260 643 P 10 dxz Ryd( 5d) 0.00003 5.12032 644 P 10 dxz Ryd( 6d) 0.00000 6.39683 645 P 10 dyz Ryd( 3d) 0.00420 1.29749 646 P 10 dyz Ryd( 4d) 0.00038 2.50375 647 P 10 dyz Ryd( 5d) 0.00002 5.04593 648 P 10 dyz Ryd( 6d) 0.00000 6.25465 649 P 10 dx2y2 Ryd( 3d) 0.00513 1.30466 650 P 10 dx2y2 Ryd( 4d) 0.00040 3.18598 651 P 10 dx2y2 Ryd( 5d) 0.00003 4.99487 652 P 10 dx2y2 Ryd( 6d) 0.00000 6.44673 653 P 10 dz2 Ryd( 3d) 0.00307 1.29547 654 P 10 dz2 Ryd( 4d) 0.00063 2.73487 655 P 10 dz2 Ryd( 5d) 0.00002 5.18274 656 P 10 dz2 Ryd( 6d) 0.00000 6.20312 657 P 10 f(0) Ryd( 4f) 0.00020 2.91035 658 P 10 f(0) Ryd( 5f) 0.00003 4.27845 659 P 10 f(c1) Ryd( 4f) 0.00025 2.86540 660 P 10 f(c1) Ryd( 5f) 0.00003 4.59019 661 P 10 f(s1) Ryd( 4f) 0.00012 2.84535 662 P 10 f(s1) Ryd( 5f) 0.00002 4.22259 663 P 10 f(c2) Ryd( 4f) 0.00023 3.01941 664 P 10 f(c2) Ryd( 5f) 0.00002 4.45709 665 P 10 f(s2) Ryd( 4f) 0.00023 2.88040 666 P 10 f(s2) Ryd( 5f) 0.00003 4.32482 667 P 10 f(c3) Ryd( 4f) 0.00020 2.90050 668 P 10 f(c3) Ryd( 5f) 0.00004 3.99597 669 P 10 f(s3) Ryd( 4f) 0.00029 2.94271 670 P 10 f(s3) Ryd( 5f) 0.00006 4.59139 671 P 10 g(0) Ryd( 5g) 0.00002 3.60060 672 P 10 g(c1) Ryd( 5g) 0.00001 3.65076 673 P 10 g(s1) Ryd( 5g) 0.00001 3.67089 674 P 10 g(c2) Ryd( 5g) 0.00001 3.65526 675 P 10 g(s2) Ryd( 5g) 0.00003 3.65686 676 P 10 g(c3) Ryd( 5g) 0.00001 3.64238 677 P 10 g(s3) Ryd( 5g) 0.00002 3.64628 678 P 10 g(c4) Ryd( 5g) 0.00003 3.64082 679 P 10 g(s4) Ryd( 5g) 0.00004 3.66459 680 C 11 s Cor( 1s) 0.99999 -10.20899 681 C 11 s Val( 2s) 0.50603 -0.17450 682 C 11 s Ryd( 3s) 0.00144 4.57146 683 C 11 s Ryd( 4s) 0.00004 5.19429 684 C 11 s Ryd( 5s) 0.00000 11.97947 685 C 11 s Ryd( 6s) 0.00000 13.00652 686 C 11 s Ryd( 7s) 0.00000 128.84312 687 C 11 px Val( 2p) 0.59905 -0.03879 688 C 11 px Ryd( 3p) 0.00236 1.59206 689 C 11 px Ryd( 4p) 0.00019 2.05436 690 C 11 px Ryd( 5p) 0.00002 4.95642 691 C 11 py Val( 2p) 0.51613 -0.12294 692 C 11 py Ryd( 3p) 0.00188 0.96271 693 C 11 py Ryd( 4p) 0.00035 1.09678 694 C 11 py Ryd( 5p) 0.00001 4.19261 695 C 11 pz Val( 2p) 0.50254 -0.03109 696 C 11 pz Ryd( 3p) 0.00311 1.36939 697 C 11 pz Ryd( 4p) 0.00010 1.01547 698 C 11 pz Ryd( 5p) 0.00003 5.11148 699 C 11 dxy Ryd( 3d) 0.00118 1.68939 700 C 11 dxy Ryd( 4d) 0.00005 3.13144 701 C 11 dxy Ryd( 5d) 0.00001 7.05683 702 C 11 dxz Ryd( 3d) 0.00061 5.44325 703 C 11 dxz Ryd( 4d) 0.00015 5.04363 704 C 11 dxz Ryd( 5d) 0.00000 7.25498 705 C 11 dyz Ryd( 3d) 0.00013 1.63064 706 C 11 dyz Ryd( 4d) 0.00023 2.72222 707 C 11 dyz Ryd( 5d) 0.00000 6.77962 708 C 11 dx2y2 Ryd( 3d) 0.00093 3.17069 709 C 11 dx2y2 Ryd( 4d) 0.00024 4.26846 710 C 11 dx2y2 Ryd( 5d) 0.00001 9.01454 711 C 11 dz2 Ryd( 3d) 0.00031 3.02470 712 C 11 dz2 Ryd( 4d) 0.00038 3.91891 713 C 11 dz2 Ryd( 5d) 0.00000 7.27774 714 C 11 f(0) Ryd( 4f) 0.00019 3.70178 715 C 11 f(0) Ryd( 5f) 0.00001 7.79298 716 C 11 f(c1) Ryd( 4f) 0.00035 4.59634 717 C 11 f(c1) Ryd( 5f) 0.00001 8.17066 718 C 11 f(s1) Ryd( 4f) 0.00007 2.82109 719 C 11 f(s1) Ryd( 5f) 0.00000 7.18913 720 C 11 f(c2) Ryd( 4f) 0.00017 3.48273 721 C 11 f(c2) Ryd( 5f) 0.00001 8.10470 722 C 11 f(s2) Ryd( 4f) 0.00005 2.93030 723 C 11 f(s2) Ryd( 5f) 0.00001 7.45373 724 C 11 f(c3) Ryd( 4f) 0.00038 3.28926 725 C 11 f(c3) Ryd( 5f) 0.00000 7.44978 726 C 11 f(s3) Ryd( 4f) 0.00043 2.87042 727 C 11 f(s3) Ryd( 5f) 0.00000 7.85652 728 C 11 g(0) Ryd( 5g) 0.00005 6.37137 729 C 11 g(c1) Ryd( 5g) 0.00009 6.32254 730 C 11 g(s1) Ryd( 5g) 0.00000 6.04755 731 C 11 g(c2) Ryd( 5g) 0.00006 6.23108 732 C 11 g(s2) Ryd( 5g) 0.00007 6.03203 733 C 11 g(c3) Ryd( 5g) 0.00001 6.14411 734 C 11 g(s3) Ryd( 5g) 0.00000 6.18522 735 C 11 g(c4) Ryd( 5g) 0.00002 5.98698 736 C 11 g(s4) Ryd( 5g) 0.00002 5.88367 737 C 12 s Cor( 1s) 0.99999 -10.21695 738 C 12 s Val( 2s) 0.50554 -0.18122 739 C 12 s Ryd( 4s) 0.00114 4.97361 740 C 12 s Ryd( 3s) 0.00003 4.88548 741 C 12 s Ryd( 5s) 0.00000 12.11415 742 C 12 s Ryd( 6s) 0.00000 12.70717 743 C 12 s Ryd( 7s) 0.00000 129.38009 744 C 12 px Val( 2p) 0.50980 -0.03618 745 C 12 px Ryd( 4p) 0.00283 1.47308 746 C 12 px Ryd( 3p) 0.00013 0.95093 747 C 12 px Ryd( 5p) 0.00003 5.21075 748 C 12 py Val( 2p) 0.49966 -0.12751 749 C 12 py Ryd( 4p) 0.00124 0.95399 750 C 12 py Ryd( 3p) 0.00023 0.95565 751 C 12 py Ryd( 5p) 0.00001 4.36538 752 C 12 pz Val( 2p) 0.59003 -0.04814 753 C 12 pz Ryd( 4p) 0.00236 1.54442 754 C 12 pz Ryd( 3p) 0.00017 1.84013 755 C 12 pz Ryd( 5p) 0.00002 5.15130 756 C 12 dxy Ryd( 3d) 0.00021 1.59366 757 C 12 dxy Ryd( 4d) 0.00026 2.72267 758 C 12 dxy Ryd( 5d) 0.00000 6.80943 759 C 12 dxz Ryd( 3d) 0.00059 4.96943 760 C 12 dxz Ryd( 4d) 0.00018 4.91576 761 C 12 dxz Ryd( 5d) 0.00001 7.36756 762 C 12 dyz Ryd( 3d) 0.00137 1.77650 763 C 12 dyz Ryd( 4d) 0.00007 3.14600 764 C 12 dyz Ryd( 5d) 0.00000 7.07994 765 C 12 dx2y2 Ryd( 3d) 0.00067 3.33688 766 C 12 dx2y2 Ryd( 4d) 0.00028 3.20289 767 C 12 dx2y2 Ryd( 5d) 0.00001 7.38486 768 C 12 dz2 Ryd( 3d) 0.00058 3.27661 769 C 12 dz2 Ryd( 4d) 0.00028 5.03111 770 C 12 dz2 Ryd( 5d) 0.00001 8.61803 771 C 12 f(0) Ryd( 4f) 0.00033 3.97841 772 C 12 f(0) Ryd( 5f) 0.00001 7.87239 773 C 12 f(c1) Ryd( 4f) 0.00027 4.34160 774 C 12 f(c1) Ryd( 5f) 0.00001 8.22830 775 C 12 f(s1) Ryd( 4f) 0.00032 2.97679 776 C 12 f(s1) Ryd( 5f) 0.00000 7.76571 777 C 12 f(c2) Ryd( 4f) 0.00022 3.69359 778 C 12 f(c2) Ryd( 5f) 0.00001 7.78787 779 C 12 f(s2) Ryd( 4f) 0.00007 2.96829 780 C 12 f(s2) Ryd( 5f) 0.00000 7.46214 781 C 12 f(c3) Ryd( 4f) 0.00017 3.15464 782 C 12 f(c3) Ryd( 5f) 0.00001 7.45134 783 C 12 f(s3) Ryd( 4f) 0.00016 2.78404 784 C 12 f(s3) Ryd( 5f) 0.00001 7.19462 785 C 12 g(0) Ryd( 5g) 0.00006 6.21413 786 C 12 g(c1) Ryd( 5g) 0.00009 6.49078 787 C 12 g(s1) Ryd( 5g) 0.00003 5.99139 788 C 12 g(c2) Ryd( 5g) 0.00005 6.18384 789 C 12 g(s2) Ryd( 5g) 0.00003 6.19704 790 C 12 g(c3) Ryd( 5g) 0.00002 6.11782 791 C 12 g(s3) Ryd( 5g) 0.00002 6.08830 792 C 12 g(c4) Ryd( 5g) 0.00001 6.03075 793 C 12 g(s4) Ryd( 5g) 0.00001 5.84812 794 C 13 s Cor( 1s) 0.99999 -10.21799 795 C 13 s Val( 2s) 0.50174 -0.18589 796 C 13 s Ryd( 3s) 0.00150 4.79342 797 C 13 s Ryd( 4s) 0.00004 5.19536 798 C 13 s Ryd( 5s) 0.00000 9.88414 799 C 13 s Ryd( 6s) 0.00000 13.65897 800 C 13 s Ryd( 7s) 0.00000 129.81115 801 C 13 px Val( 2p) 0.57150 -0.04975 802 C 13 px Ryd( 3p) 0.00243 1.62980 803 C 13 px Ryd( 4p) 0.00017 1.87701 804 C 13 px Ryd( 5p) 0.00002 4.94982 805 C 13 py Val( 2p) 0.52777 -0.13080 806 C 13 py Ryd( 3p) 0.00160 0.93810 807 C 13 py Ryd( 4p) 0.00020 1.01756 808 C 13 py Ryd( 5p) 0.00001 4.29723 809 C 13 pz Val( 2p) 0.52320 -0.04478 810 C 13 pz Ryd( 3p) 0.00254 1.53431 811 C 13 pz Ryd( 4p) 0.00010 1.36700 812 C 13 pz Ryd( 5p) 0.00003 4.98328 813 C 13 dxy Ryd( 3d) 0.00109 1.70885 814 C 13 dxy Ryd( 4d) 0.00011 3.08525 815 C 13 dxy Ryd( 5d) 0.00001 6.99424 816 C 13 dxz Ryd( 3d) 0.00034 3.41549 817 C 13 dxz Ryd( 4d) 0.00036 4.97999 818 C 13 dxz Ryd( 5d) 0.00000 7.98373 819 C 13 dyz Ryd( 3d) 0.00048 1.64161 820 C 13 dyz Ryd( 4d) 0.00020 2.80203 821 C 13 dyz Ryd( 5d) 0.00000 6.88417 822 C 13 dx2y2 Ryd( 3d) 0.00094 3.72629 823 C 13 dx2y2 Ryd( 4d) 0.00017 4.12536 824 C 13 dx2y2 Ryd( 5d) 0.00001 8.27551 825 C 13 dz2 Ryd( 3d) 0.00072 4.60023 826 C 13 dz2 Ryd( 4d) 0.00019 4.35405 827 C 13 dz2 Ryd( 5d) 0.00001 7.16066 828 C 13 f(0) Ryd( 4f) 0.00025 4.12035 829 C 13 f(0) Ryd( 5f) 0.00001 7.91499 830 C 13 f(c1) Ryd( 4f) 0.00019 4.17650 831 C 13 f(c1) Ryd( 5f) 0.00001 8.19176 832 C 13 f(s1) Ryd( 4f) 0.00011 2.87128 833 C 13 f(s1) Ryd( 5f) 0.00001 7.27412 834 C 13 f(c2) Ryd( 4f) 0.00030 3.73107 835 C 13 f(c2) Ryd( 5f) 0.00001 7.63692 836 C 13 f(s2) Ryd( 4f) 0.00012 3.00682 837 C 13 f(s2) Ryd( 5f) 0.00000 7.49530 838 C 13 f(c3) Ryd( 4f) 0.00023 3.25979 839 C 13 f(c3) Ryd( 5f) 0.00000 7.64429 840 C 13 f(s3) Ryd( 4f) 0.00033 2.88448 841 C 13 f(s3) Ryd( 5f) 0.00000 7.66259 842 C 13 g(0) Ryd( 5g) 0.00006 6.23691 843 C 13 g(c1) Ryd( 5g) 0.00007 6.51807 844 C 13 g(s1) Ryd( 5g) 0.00003 5.94289 845 C 13 g(c2) Ryd( 5g) 0.00003 6.24312 846 C 13 g(s2) Ryd( 5g) 0.00000 6.32982 847 C 13 g(c3) Ryd( 5g) 0.00003 5.99668 848 C 13 g(s3) Ryd( 5g) 0.00005 5.92180 849 C 13 g(c4) Ryd( 5g) 0.00001 6.08053 850 C 13 g(s4) Ryd( 5g) 0.00000 5.94024 851 C 14 s Cor( 1s) 0.99999 -10.21502 852 C 14 s Val( 2s) 0.50191 -0.18424 853 C 14 s Ryd( 3s) 0.00157 4.77787 854 C 14 s Ryd( 4s) 0.00004 5.00095 855 C 14 s Ryd( 5s) 0.00000 11.19388 856 C 14 s Ryd( 6s) 0.00000 13.04607 857 C 14 s Ryd( 7s) 0.00000 129.50009 858 C 14 px Val( 2p) 0.55976 -0.04639 859 C 14 px Ryd( 3p) 0.00256 1.60139 860 C 14 px Ryd( 4p) 0.00016 1.69397 861 C 14 px Ryd( 5p) 0.00002 5.14603 862 C 14 py Val( 2p) 0.52580 -0.12998 863 C 14 py Ryd( 3p) 0.00176 0.93957 864 C 14 py Ryd( 4p) 0.00023 1.01998 865 C 14 py Ryd( 5p) 0.00001 4.33273 866 C 14 pz Val( 2p) 0.53858 -0.04308 867 C 14 pz Ryd( 3p) 0.00252 1.59091 868 C 14 pz Ryd( 4p) 0.00010 1.49450 869 C 14 pz Ryd( 5p) 0.00003 5.13711 870 C 14 dxy Ryd( 3d) 0.00095 1.67304 871 C 14 dxy Ryd( 4d) 0.00014 3.01716 872 C 14 dxy Ryd( 5d) 0.00000 6.96662 873 C 14 dxz Ryd( 3d) 0.00025 2.97149 874 C 14 dxz Ryd( 4d) 0.00040 5.06011 875 C 14 dxz Ryd( 5d) 0.00000 8.21478 876 C 14 dyz Ryd( 3d) 0.00064 1.65621 877 C 14 dyz Ryd( 4d) 0.00018 2.88617 878 C 14 dyz Ryd( 5d) 0.00000 6.89258 879 C 14 dx2y2 Ryd( 3d) 0.00101 3.84783 880 C 14 dx2y2 Ryd( 4d) 0.00017 3.94082 881 C 14 dx2y2 Ryd( 5d) 0.00001 8.08729 882 C 14 dz2 Ryd( 3d) 0.00077 4.95069 883 C 14 dz2 Ryd( 4d) 0.00017 4.48427 884 C 14 dz2 Ryd( 5d) 0.00001 7.31656 885 C 14 f(0) Ryd( 4f) 0.00024 4.04212 886 C 14 f(0) Ryd( 5f) 0.00001 8.03173 887 C 14 f(c1) Ryd( 4f) 0.00026 4.32408 888 C 14 f(c1) Ryd( 5f) 0.00001 8.09746 889 C 14 f(s1) Ryd( 4f) 0.00014 2.88288 890 C 14 f(s1) Ryd( 5f) 0.00001 7.36878 891 C 14 f(c2) Ryd( 4f) 0.00032 3.67269 892 C 14 f(c2) Ryd( 5f) 0.00001 7.58653 893 C 14 f(s2) Ryd( 4f) 0.00012 3.04413 894 C 14 f(s2) Ryd( 5f) 0.00000 7.53633 895 C 14 f(c3) Ryd( 4f) 0.00020 3.24051 896 C 14 f(c3) Ryd( 5f) 0.00001 7.67294 897 C 14 f(s3) Ryd( 4f) 0.00025 2.87626 898 C 14 f(s3) Ryd( 5f) 0.00000 7.55739 899 C 14 g(0) Ryd( 5g) 0.00006 6.34405 900 C 14 g(c1) Ryd( 5g) 0.00007 6.35189 901 C 14 g(s1) Ryd( 5g) 0.00002 5.99829 902 C 14 g(c2) Ryd( 5g) 0.00004 6.32231 903 C 14 g(s2) Ryd( 5g) 0.00003 6.23517 904 C 14 g(c3) Ryd( 5g) 0.00002 5.97831 905 C 14 g(s3) Ryd( 5g) 0.00004 5.96752 906 C 14 g(c4) Ryd( 5g) 0.00001 6.09141 907 C 14 g(s4) Ryd( 5g) 0.00000 5.93549 908 C 15 s Cor( 1s) 0.99999 -10.21614 909 C 15 s Val( 2s) 0.50562 -0.17963 910 C 15 s Ryd( 4s) 0.00117 4.99512 911 C 15 s Ryd( 3s) 0.00004 4.86142 912 C 15 s Ryd( 5s) 0.00000 12.18626 913 C 15 s Ryd( 6s) 0.00000 12.66627 914 C 15 s Ryd( 7s) 0.00000 129.30109 915 C 15 px Val( 2p) 0.51691 -0.03504 916 C 15 px Ryd( 4p) 0.00284 1.46878 917 C 15 px Ryd( 3p) 0.00014 1.03867 918 C 15 px Ryd( 5p) 0.00003 5.26541 919 C 15 py Val( 2p) 0.49409 -0.12858 920 C 15 py Ryd( 4p) 0.00125 0.94927 921 C 15 py Ryd( 3p) 0.00024 1.02441 922 C 15 py Ryd( 5p) 0.00001 4.32066 923 C 15 pz Val( 2p) 0.58580 -0.04418 924 C 15 pz Ryd( 4p) 0.00243 1.55161 925 C 15 pz Ryd( 3p) 0.00014 1.74178 926 C 15 pz Ryd( 5p) 0.00002 5.15409 927 C 15 dxy Ryd( 3d) 0.00036 1.59097 928 C 15 dxy Ryd( 4d) 0.00024 2.75921 929 C 15 dxy Ryd( 5d) 0.00000 6.82333 930 C 15 dxz Ryd( 3d) 0.00042 4.23804 931 C 15 dxz Ryd( 4d) 0.00027 4.93040 932 C 15 dxz Ryd( 5d) 0.00001 7.59614 933 C 15 dyz Ryd( 3d) 0.00117 1.58643 934 C 15 dyz Ryd( 4d) 0.00009 3.05390 935 C 15 dyz Ryd( 5d) 0.00001 6.99108 936 C 15 dx2y2 Ryd( 3d) 0.00078 3.55552 937 C 15 dx2y2 Ryd( 4d) 0.00026 3.28878 938 C 15 dx2y2 Ryd( 5d) 0.00001 7.47668 939 C 15 dz2 Ryd( 3d) 0.00064 4.00031 940 C 15 dz2 Ryd( 4d) 0.00023 5.02148 941 C 15 dz2 Ryd( 5d) 0.00001 8.35425 942 C 15 f(0) Ryd( 4f) 0.00028 3.84824 943 C 15 f(0) Ryd( 5f) 0.00001 8.03747 944 C 15 f(c1) Ryd( 4f) 0.00037 4.63343 945 C 15 f(c1) Ryd( 5f) 0.00001 8.12944 946 C 15 f(s1) Ryd( 4f) 0.00023 2.93287 947 C 15 f(s1) Ryd( 5f) 0.00000 7.73479 948 C 15 f(c2) Ryd( 4f) 0.00026 3.61502 949 C 15 f(c2) Ryd( 5f) 0.00001 7.70594 950 C 15 f(s2) Ryd( 4f) 0.00008 2.97717 951 C 15 f(s2) Ryd( 5f) 0.00000 7.47425 952 C 15 f(c3) Ryd( 4f) 0.00017 3.16887 953 C 15 f(c3) Ryd( 5f) 0.00001 7.50949 954 C 15 f(s3) Ryd( 4f) 0.00015 2.76524 955 C 15 f(s3) Ryd( 5f) 0.00001 7.26336 956 C 15 g(0) Ryd( 5g) 0.00005 6.22271 957 C 15 g(c1) Ryd( 5g) 0.00011 6.53268 958 C 15 g(s1) Ryd( 5g) 0.00001 6.07439 959 C 15 g(c2) Ryd( 5g) 0.00005 6.15610 960 C 15 g(s2) Ryd( 5g) 0.00006 6.02624 961 C 15 g(c3) Ryd( 5g) 0.00001 6.11346 962 C 15 g(s3) Ryd( 5g) 0.00000 6.13945 963 C 15 g(c4) Ryd( 5g) 0.00001 6.04345 964 C 15 g(s4) Ryd( 5g) 0.00001 5.85095 965 H 16 s Val( 1s) 0.38787 0.02408 966 H 16 s Ryd( 3s) 0.00037 1.43653 967 H 16 s Ryd( 2s) 0.00009 0.91155 968 H 16 s Ryd( 4s) 0.00000 6.31859 969 H 16 px Ryd( 2p) 0.00044 3.29237 970 H 16 px Ryd( 3p) 0.00001 5.06998 971 H 16 px Ryd( 4p) 0.00001 8.66823 972 H 16 py Ryd( 2p) 0.00030 2.19986 973 H 16 py Ryd( 3p) 0.00001 3.83164 974 H 16 py Ryd( 4p) 0.00001 8.03347 975 H 16 pz Ryd( 2p) 0.00019 1.91234 976 H 16 pz Ryd( 3p) 0.00002 3.34787 977 H 16 pz Ryd( 4p) 0.00001 7.92270 978 H 16 dxy Ryd( 3d) 0.00005 4.44721 979 H 16 dxy Ryd( 4d) 0.00000 10.32712 980 H 16 dxz Ryd( 3d) 0.00005 4.20003 981 H 16 dxz Ryd( 4d) 0.00000 9.63441 982 H 16 dyz Ryd( 3d) 0.00002 3.44550 983 H 16 dyz Ryd( 4d) 0.00000 9.12416 984 H 16 dx2y2 Ryd( 3d) 0.00006 4.44135 985 H 16 dx2y2 Ryd( 4d) 0.00000 9.97540 986 H 16 dz2 Ryd( 3d) 0.00002 3.69289 987 H 16 dz2 Ryd( 4d) 0.00000 9.52682 988 H 16 f(0) Ryd( 4f) 0.00000 7.14194 989 H 16 f(c1) Ryd( 4f) 0.00001 7.57063 990 H 16 f(s1) Ryd( 4f) 0.00000 7.10542 991 H 16 f(c2) Ryd( 4f) 0.00000 7.72289 992 H 16 f(s2) Ryd( 4f) 0.00000 7.50597 993 H 16 f(c3) Ryd( 4f) 0.00000 7.46622 994 H 16 f(s3) Ryd( 4f) 0.00002 7.73146 995 H 17 s Val( 1s) 0.38368 0.02662 996 H 17 s Ryd( 3s) 0.00017 1.55329 997 H 17 s Ryd( 2s) 0.00006 1.40392 998 H 17 s Ryd( 4s) 0.00000 5.59018 999 H 17 px Ryd( 2p) 0.00027 1.91385 1000 H 17 px Ryd( 3p) 0.00001 3.44043 1001 H 17 px Ryd( 4p) 0.00001 7.96370 1002 H 17 py Ryd( 2p) 0.00043 3.26204 1003 H 17 py Ryd( 3p) 0.00001 4.95202 1004 H 17 py Ryd( 4p) 0.00000 8.61970 1005 H 17 pz Ryd( 2p) 0.00019 2.33578 1006 H 17 pz Ryd( 3p) 0.00002 4.07136 1007 H 17 pz Ryd( 4p) 0.00001 8.22690 1008 H 17 dxy Ryd( 3d) 0.00005 4.14236 1009 H 17 dxy Ryd( 4d) 0.00000 9.56807 1010 H 17 dxz Ryd( 3d) 0.00002 3.60771 1011 H 17 dxz Ryd( 4d) 0.00000 9.14031 1012 H 17 dyz Ryd( 3d) 0.00004 4.51868 1013 H 17 dyz Ryd( 4d) 0.00000 10.41227 1014 H 17 dx2y2 Ryd( 3d) 0.00004 4.00434 1015 H 17 dx2y2 Ryd( 4d) 0.00000 10.00876 1016 H 17 dz2 Ryd( 3d) 0.00003 4.01455 1017 H 17 dz2 Ryd( 4d) 0.00000 9.44703 1018 H 17 f(0) Ryd( 4f) 0.00001 7.61002 1019 H 17 f(c1) Ryd( 4f) 0.00000 7.33849 1020 H 17 f(s1) Ryd( 4f) 0.00001 7.40602 1021 H 17 f(c2) Ryd( 4f) 0.00002 7.32838 1022 H 17 f(s2) Ryd( 4f) 0.00001 7.40306 1023 H 17 f(c3) Ryd( 4f) 0.00000 7.55320 1024 H 17 f(s3) Ryd( 4f) 0.00001 7.63251 1025 H 18 s Val( 1s) 0.37636 0.03751 1026 H 18 s Ryd( 3s) 0.00026 1.61003 1027 H 18 s Ryd( 2s) 0.00005 1.12093 1028 H 18 s Ryd( 4s) 0.00000 5.85104 1029 H 18 px Ryd( 2p) 0.00029 2.69600 1030 H 18 px Ryd( 3p) 0.00001 4.16442 1031 H 18 px Ryd( 4p) 0.00000 8.30516 1032 H 18 py Ryd( 2p) 0.00036 2.55726 1033 H 18 py Ryd( 3p) 0.00001 4.27069 1034 H 18 py Ryd( 4p) 0.00000 8.20244 1035 H 18 pz Ryd( 2p) 0.00020 2.35619 1036 H 18 pz Ryd( 3p) 0.00002 4.09934 1037 H 18 pz Ryd( 4p) 0.00001 8.18174 1038 H 18 dxy Ryd( 3d) 0.00003 4.05861 1039 H 18 dxy Ryd( 4d) 0.00000 10.03937 1040 H 18 dxz Ryd( 3d) 0.00003 4.05286 1041 H 18 dxz Ryd( 4d) 0.00000 9.86295 1042 H 18 dyz Ryd( 3d) 0.00003 4.07926 1043 H 18 dyz Ryd( 4d) 0.00000 9.70613 1044 H 18 dx2y2 Ryd( 3d) 0.00005 4.09677 1045 H 18 dx2y2 Ryd( 4d) 0.00000 9.46916 1046 H 18 dz2 Ryd( 3d) 0.00003 4.03459 1047 H 18 dz2 Ryd( 4d) 0.00000 9.44238 1048 H 18 f(0) Ryd( 4f) 0.00001 7.62125 1049 H 18 f(c1) Ryd( 4f) 0.00000 7.37592 1050 H 18 f(s1) Ryd( 4f) 0.00000 7.36909 1051 H 18 f(c2) Ryd( 4f) 0.00000 7.38539 1052 H 18 f(s2) Ryd( 4f) 0.00002 7.32445 1053 H 18 f(c3) Ryd( 4f) 0.00000 7.57763 1054 H 18 f(s3) Ryd( 4f) 0.00001 7.59099 1055 H 19 s Val( 1s) 0.38821 0.02647 1056 H 19 s Ryd( 3s) 0.00036 1.36379 1057 H 19 s Ryd( 2s) 0.00009 0.96113 1058 H 19 s Ryd( 4s) 0.00000 6.30911 1059 H 19 px Ryd( 2p) 0.00048 3.26784 1060 H 19 px Ryd( 3p) 0.00000 5.19975 1061 H 19 px Ryd( 4p) 0.00001 8.75837 1062 H 19 py Ryd( 2p) 0.00017 2.26964 1063 H 19 py Ryd( 3p) 0.00002 3.96135 1064 H 19 py Ryd( 4p) 0.00001 8.20472 1065 H 19 pz Ryd( 2p) 0.00023 1.81586 1066 H 19 pz Ryd( 3p) 0.00001 3.37002 1067 H 19 pz Ryd( 4p) 0.00001 7.85692 1068 H 19 dxy Ryd( 3d) 0.00005 4.48158 1069 H 19 dxy Ryd( 4d) 0.00000 10.29379 1070 H 19 dxz Ryd( 3d) 0.00006 4.05437 1071 H 19 dxz Ryd( 4d) 0.00000 9.56018 1072 H 19 dyz Ryd( 3d) 0.00003 3.54604 1073 H 19 dyz Ryd( 4d) 0.00000 9.14733 1074 H 19 dx2y2 Ryd( 3d) 0.00005 4.45062 1075 H 19 dx2y2 Ryd( 4d) 0.00000 10.06284 1076 H 19 dz2 Ryd( 3d) 0.00001 3.64345 1077 H 19 dz2 Ryd( 4d) 0.00000 9.46886 1078 H 19 f(0) Ryd( 4f) 0.00000 7.14935 1079 H 19 f(c1) Ryd( 4f) 0.00001 7.60066 1080 H 19 f(s1) Ryd( 4f) 0.00000 7.11460 1081 H 19 f(c2) Ryd( 4f) 0.00000 7.68607 1082 H 19 f(s2) Ryd( 4f) 0.00000 7.40653 1083 H 19 f(c3) Ryd( 4f) 0.00001 7.45766 1084 H 19 f(s3) Ryd( 4f) 0.00002 7.79059 1085 H 20 s Val( 1s) 0.37511 0.04228 1086 H 20 s Ryd( 3s) 0.00017 1.81388 1087 H 20 s Ryd( 2s) 0.00010 1.24439 1088 H 20 s Ryd( 4s) 0.00000 5.45398 1089 H 20 px Ryd( 2p) 0.00032 2.79512 1090 H 20 px Ryd( 3p) 0.00001 4.72630 1091 H 20 px Ryd( 4p) 0.00000 8.52457 1092 H 20 py Ryd( 2p) 0.00026 2.36678 1093 H 20 py Ryd( 3p) 0.00002 4.18802 1094 H 20 py Ryd( 4p) 0.00000 8.32877 1095 H 20 pz Ryd( 2p) 0.00034 2.12812 1096 H 20 pz Ryd( 3p) 0.00001 3.77353 1097 H 20 pz Ryd( 4p) 0.00000 8.14651 1098 H 20 dxy Ryd( 3d) 0.00003 4.31715 1099 H 20 dxy Ryd( 4d) 0.00000 10.05052 1100 H 20 dxz Ryd( 3d) 0.00003 3.98734 1101 H 20 dxz Ryd( 4d) 0.00000 9.87706 1102 H 20 dyz Ryd( 3d) 0.00003 3.83638 1103 H 20 dyz Ryd( 4d) 0.00000 9.49849 1104 H 20 dx2y2 Ryd( 3d) 0.00005 4.31075 1105 H 20 dx2y2 Ryd( 4d) 0.00000 9.68008 1106 H 20 dz2 Ryd( 3d) 0.00003 3.88486 1107 H 20 dz2 Ryd( 4d) 0.00000 9.38505 1108 H 20 f(0) Ryd( 4f) 0.00001 7.56279 1109 H 20 f(c1) Ryd( 4f) 0.00000 7.40514 1110 H 20 f(s1) Ryd( 4f) 0.00000 7.33306 1111 H 20 f(c2) Ryd( 4f) 0.00000 7.47616 1112 H 20 f(s2) Ryd( 4f) 0.00001 7.32034 1113 H 20 f(c3) Ryd( 4f) 0.00000 7.49718 1114 H 20 f(s3) Ryd( 4f) 0.00001 7.67451 1115 H 21 s Val( 1s) 0.37816 0.03816 1116 H 21 s Ryd( 3s) 0.00017 1.67720 1117 H 21 s Ryd( 2s) 0.00005 1.08169 1118 H 21 s Ryd( 4s) 0.00000 5.73830 1119 H 21 px Ryd( 2p) 0.00026 1.90630 1120 H 21 px Ryd( 3p) 0.00001 3.53872 1121 H 21 px Ryd( 4p) 0.00000 7.86890 1122 H 21 py Ryd( 2p) 0.00013 1.87720 1123 H 21 py Ryd( 3p) 0.00002 3.44311 1124 H 21 py Ryd( 4p) 0.00001 7.90381 1125 H 21 pz Ryd( 2p) 0.00046 3.65126 1126 H 21 pz Ryd( 3p) 0.00001 5.71561 1127 H 21 pz Ryd( 4p) 0.00000 9.09905 1128 H 21 dxy Ryd( 3d) 0.00000 3.22271 1129 H 21 dxy Ryd( 4d) 0.00000 8.96800 1130 H 21 dxz Ryd( 3d) 0.00007 4.43254 1131 H 21 dxz Ryd( 4d) 0.00000 9.86905 1132 H 21 dyz Ryd( 3d) 0.00006 4.40219 1133 H 21 dyz Ryd( 4d) 0.00000 9.75616 1134 H 21 dx2y2 Ryd( 3d) 0.00001 3.23251 1135 H 21 dx2y2 Ryd( 4d) 0.00000 8.96000 1136 H 21 dz2 Ryd( 3d) 0.00004 4.87799 1137 H 21 dz2 Ryd( 4d) 0.00000 11.04238 1138 H 21 f(0) Ryd( 4f) 0.00003 7.64016 1139 H 21 f(c1) Ryd( 4f) 0.00001 7.56671 1140 H 21 f(s1) Ryd( 4f) 0.00001 7.57280 1141 H 21 f(c2) Ryd( 4f) 0.00000 7.75721 1142 H 21 f(s2) Ryd( 4f) 0.00000 7.82204 1143 H 21 f(c3) Ryd( 4f) 0.00000 6.92677 1144 H 21 f(s3) Ryd( 4f) 0.00000 6.92693 1145 H 22 s Val( 1s) 0.38614 0.02262 1146 H 22 s Ryd( 3s) 0.00037 1.44943 1147 H 22 s Ryd( 2s) 0.00008 0.87824 1148 H 22 s Ryd( 4s) 0.00000 6.30173 1149 H 22 px Ryd( 2p) 0.00032 2.95466 1150 H 22 px Ryd( 3p) 0.00001 5.08995 1151 H 22 px Ryd( 4p) 0.00001 8.73402 1152 H 22 py Ryd( 2p) 0.00036 2.51237 1153 H 22 py Ryd( 3p) 0.00001 4.23942 1154 H 22 py Ryd( 4p) 0.00001 8.35594 1155 H 22 pz Ryd( 2p) 0.00025 1.78876 1156 H 22 pz Ryd( 3p) 0.00001 3.34963 1157 H 22 pz Ryd( 4p) 0.00000 7.80948 1158 H 22 dxy Ryd( 3d) 0.00003 4.53113 1159 H 22 dxy Ryd( 4d) 0.00000 10.74250 1160 H 22 dxz Ryd( 3d) 0.00005 4.08048 1161 H 22 dxz Ryd( 4d) 0.00000 9.43992 1162 H 22 dyz Ryd( 3d) 0.00003 3.61692 1163 H 22 dyz Ryd( 4d) 0.00000 9.21071 1164 H 22 dx2y2 Ryd( 3d) 0.00007 4.47389 1165 H 22 dx2y2 Ryd( 4d) 0.00000 9.73090 1166 H 22 dz2 Ryd( 3d) 0.00001 3.59270 1167 H 22 dz2 Ryd( 4d) 0.00000 9.50059 1168 H 22 f(0) Ryd( 4f) 0.00000 7.08897 1169 H 22 f(c1) Ryd( 4f) 0.00001 7.47941 1170 H 22 f(s1) Ryd( 4f) 0.00000 7.24634 1171 H 22 f(c2) Ryd( 4f) 0.00000 7.83293 1172 H 22 f(s2) Ryd( 4f) 0.00000 7.30132 1173 H 22 f(c3) Ryd( 4f) 0.00001 7.53701 1174 H 22 f(s3) Ryd( 4f) 0.00002 7.73998 1175 H 23 s Val( 1s) 0.38048 0.02756 1176 H 23 s Ryd( 3s) 0.00015 1.49457 1177 H 23 s Ryd( 2s) 0.00006 1.28372 1178 H 23 s Ryd( 4s) 0.00000 5.80299 1179 H 23 px Ryd( 2p) 0.00023 2.04659 1180 H 23 px Ryd( 3p) 0.00002 3.50179 1181 H 23 px Ryd( 4p) 0.00001 8.05459 1182 H 23 py Ryd( 2p) 0.00022 1.86771 1183 H 23 py Ryd( 3p) 0.00001 3.47407 1184 H 23 py Ryd( 4p) 0.00001 7.96361 1185 H 23 pz Ryd( 2p) 0.00043 3.49433 1186 H 23 pz Ryd( 3p) 0.00001 5.80353 1187 H 23 pz Ryd( 4p) 0.00000 9.01425 1188 H 23 dxy Ryd( 3d) 0.00001 3.36338 1189 H 23 dxy Ryd( 4d) 0.00000 9.07539 1190 H 23 dxz Ryd( 3d) 0.00005 4.38337 1191 H 23 dxz Ryd( 4d) 0.00000 10.01989 1192 H 23 dyz Ryd( 3d) 0.00006 4.43218 1193 H 23 dyz Ryd( 4d) 0.00000 9.81725 1194 H 23 dx2y2 Ryd( 3d) 0.00001 3.25248 1195 H 23 dx2y2 Ryd( 4d) 0.00000 8.97412 1196 H 23 dz2 Ryd( 3d) 0.00004 4.85457 1197 H 23 dz2 Ryd( 4d) 0.00000 10.88810 1198 H 23 f(0) Ryd( 4f) 0.00002 7.59640 1199 H 23 f(c1) Ryd( 4f) 0.00001 7.70675 1200 H 23 f(s1) Ryd( 4f) 0.00001 7.58254 1201 H 23 f(c2) Ryd( 4f) 0.00000 7.64645 1202 H 23 f(s2) Ryd( 4f) 0.00000 7.68830 1203 H 23 f(c3) Ryd( 4f) 0.00000 7.01249 1204 H 23 f(s3) Ryd( 4f) 0.00000 7.00972 1205 H 24 s Val( 1s) 0.38604 0.01727 1206 H 24 s Ryd( 3s) 0.00015 1.57714 1207 H 24 s Ryd( 2s) 0.00006 1.11055 1208 H 24 s Ryd( 4s) 0.00000 5.82985 1209 H 24 px Ryd( 2p) 0.00020 2.08854 1210 H 24 px Ryd( 3p) 0.00002 3.55806 1211 H 24 px Ryd( 4p) 0.00001 8.10998 1212 H 24 py Ryd( 2p) 0.00036 3.27666 1213 H 24 py Ryd( 3p) 0.00001 5.33169 1214 H 24 py Ryd( 4p) 0.00001 8.76309 1215 H 24 pz Ryd( 2p) 0.00027 2.31572 1216 H 24 pz Ryd( 3p) 0.00001 3.84173 1217 H 24 pz Ryd( 4p) 0.00001 8.13619 1218 H 24 dxy Ryd( 3d) 0.00004 4.35836 1219 H 24 dxy Ryd( 4d) 0.00000 9.61847 1220 H 24 dxz Ryd( 3d) 0.00002 3.54217 1221 H 24 dxz Ryd( 4d) 0.00000 9.16225 1222 H 24 dyz Ryd( 3d) 0.00004 4.32055 1223 H 24 dyz Ryd( 4d) 0.00000 10.31693 1224 H 24 dx2y2 Ryd( 3d) 0.00005 4.21771 1225 H 24 dx2y2 Ryd( 4d) 0.00000 9.96445 1226 H 24 dz2 Ryd( 3d) 0.00004 3.88650 1227 H 24 dz2 Ryd( 4d) 0.00000 9.36880 1228 H 24 f(0) Ryd( 4f) 0.00001 7.58052 1229 H 24 f(c1) Ryd( 4f) 0.00000 7.31121 1230 H 24 f(s1) Ryd( 4f) 0.00000 7.45043 1231 H 24 f(c2) Ryd( 4f) 0.00001 7.35301 1232 H 24 f(s2) Ryd( 4f) 0.00001 7.42572 1233 H 24 f(c3) Ryd( 4f) 0.00001 7.53886 1234 H 24 f(s3) Ryd( 4f) 0.00001 7.58518 1235 H 25 s Val( 1s) 0.36888 0.07078 1236 H 25 s Ryd( 3s) 0.00036 1.56719 1237 H 25 s Ryd( 2s) 0.00017 1.08384 1238 H 25 s Ryd( 4s) 0.00000 6.53759 1239 H 25 px Ryd( 2p) 0.00035 4.65177 1240 H 25 px Ryd( 3p) 0.00008 6.77673 1241 H 25 px Ryd( 4p) 0.00001 9.38288 1242 H 25 py Ryd( 2p) 0.00012 1.98560 1243 H 25 py Ryd( 3p) 0.00009 3.37158 1244 H 25 py Ryd( 4p) 0.00001 8.20838 1245 H 25 pz Ryd( 2p) 0.00017 2.18810 1246 H 25 pz Ryd( 3p) 0.00002 3.71926 1247 H 25 pz Ryd( 4p) 0.00001 7.99049 1248 H 25 dxy Ryd( 3d) 0.00006 3.93507 1249 H 25 dxy Ryd( 4d) 0.00000 9.92930 1250 H 25 dxz Ryd( 3d) 0.00007 4.15557 1251 H 25 dxz Ryd( 4d) 0.00000 10.68733 1252 H 25 dyz Ryd( 3d) 0.00001 2.95748 1253 H 25 dyz Ryd( 4d) 0.00000 9.00636 1254 H 25 dx2y2 Ryd( 3d) 0.00005 4.39060 1255 H 25 dx2y2 Ryd( 4d) 0.00000 11.93557 1256 H 25 dz2 Ryd( 3d) 0.00003 3.40240 1257 H 25 dz2 Ryd( 4d) 0.00000 10.07982 1258 H 25 f(0) Ryd( 4f) 0.00000 7.13449 1259 H 25 f(c1) Ryd( 4f) 0.00001 7.79666 1260 H 25 f(s1) Ryd( 4f) 0.00000 6.81216 1261 H 25 f(c2) Ryd( 4f) 0.00001 7.47652 1262 H 25 f(s2) Ryd( 4f) 0.00000 7.81116 1263 H 25 f(c3) Ryd( 4f) 0.00002 7.83698 1264 H 25 f(s3) Ryd( 4f) 0.00000 7.43852 1265 H 26 s Val( 1s) 0.37314 0.05773 1266 H 26 s Ryd( 3s) 0.00032 1.51534 1267 H 26 s Ryd( 2s) 0.00020 1.35350 1268 H 26 s Ryd( 4s) 0.00000 6.28931 1269 H 26 px Ryd( 2p) 0.00019 2.69885 1270 H 26 px Ryd( 3p) 0.00003 3.54749 1271 H 26 px Ryd( 4p) 0.00000 8.00914 1272 H 26 py Ryd( 2p) 0.00009 2.40546 1273 H 26 py Ryd( 3p) 0.00005 3.01561 1274 H 26 py Ryd( 4p) 0.00000 8.14092 1275 H 26 pz Ryd( 2p) 0.00036 4.47760 1276 H 26 pz Ryd( 3p) 0.00005 6.84523 1277 H 26 pz Ryd( 4p) 0.00000 9.39257 1278 H 26 dxy Ryd( 3d) 0.00001 2.98552 1279 H 26 dxy Ryd( 4d) 0.00000 9.08582 1280 H 26 dxz Ryd( 3d) 0.00006 4.07964 1281 H 26 dxz Ryd( 4d) 0.00000 10.86160 1282 H 26 dyz Ryd( 3d) 0.00005 3.78944 1283 H 26 dyz Ryd( 4d) 0.00000 9.95620 1284 H 26 dx2y2 Ryd( 3d) 0.00001 3.19269 1285 H 26 dx2y2 Ryd( 4d) 0.00000 9.25799 1286 H 26 dz2 Ryd( 3d) 0.00008 4.57621 1287 H 26 dz2 Ryd( 4d) 0.00000 12.23806 1288 H 26 f(0) Ryd( 4f) 0.00002 7.79606 1289 H 26 f(c1) Ryd( 4f) 0.00001 7.80193 1290 H 26 f(s1) Ryd( 4f) 0.00000 7.54124 1291 H 26 f(c2) Ryd( 4f) 0.00000 7.73485 1292 H 26 f(s2) Ryd( 4f) 0.00000 7.64644 1293 H 26 f(c3) Ryd( 4f) 0.00000 6.90235 1294 H 26 f(s3) Ryd( 4f) 0.00000 6.87701 1295 H 27 s Val( 1s) 0.37851 0.04441 1296 H 27 s Ryd( 3s) 0.00037 1.38777 1297 H 27 s Ryd( 2s) 0.00017 1.38743 1298 H 27 s Ryd( 4s) 0.00000 6.39300 1299 H 27 px Ryd( 2p) 0.00032 4.18321 1300 H 27 px Ryd( 3p) 0.00003 5.87298 1301 H 27 px Ryd( 4p) 0.00001 9.19199 1302 H 27 py Ryd( 2p) 0.00007 2.48112 1303 H 27 py Ryd( 3p) 0.00009 2.99232 1304 H 27 py Ryd( 4p) 0.00001 8.18042 1305 H 27 pz Ryd( 2p) 0.00016 3.22876 1306 H 27 pz Ryd( 3p) 0.00003 4.36756 1307 H 27 pz Ryd( 4p) 0.00001 8.42212 1308 H 27 dxy Ryd( 3d) 0.00005 3.63082 1309 H 27 dxy Ryd( 4d) 0.00000 9.64451 1310 H 27 dxz Ryd( 3d) 0.00006 4.21183 1311 H 27 dxz Ryd( 4d) 0.00000 11.35884 1312 H 27 dyz Ryd( 3d) 0.00002 3.25382 1313 H 27 dyz Ryd( 4d) 0.00000 9.25072 1314 H 27 dx2y2 Ryd( 3d) 0.00005 4.06176 1315 H 27 dx2y2 Ryd( 4d) 0.00000 10.67720 1316 H 27 dz2 Ryd( 3d) 0.00004 3.72368 1317 H 27 dz2 Ryd( 4d) 0.00000 10.00115 1318 H 27 f(0) Ryd( 4f) 0.00001 7.56946 1319 H 27 f(c1) Ryd( 4f) 0.00001 7.63002 1320 H 27 f(s1) Ryd( 4f) 0.00000 7.28929 1321 H 27 f(c2) Ryd( 4f) 0.00002 7.32883 1322 H 27 f(s2) Ryd( 4f) 0.00000 7.29539 1323 H 27 f(c3) Ryd( 4f) 0.00001 7.67024 1324 H 27 f(s3) Ryd( 4f) 0.00000 7.42901 1325 H 28 s Val( 1s) 0.37318 0.05856 1326 H 28 s Ryd( 2s) 0.00035 1.42336 1327 H 28 s Ryd( 3s) 0.00019 1.46553 1328 H 28 s Ryd( 4s) 0.00000 6.23671 1329 H 28 px Ryd( 2p) 0.00022 2.84466 1330 H 28 px Ryd( 3p) 0.00003 3.86609 1331 H 28 px Ryd( 4p) 0.00000 8.13287 1332 H 28 py Ryd( 2p) 0.00009 2.33957 1333 H 28 py Ryd( 3p) 0.00005 3.16602 1334 H 28 py Ryd( 4p) 0.00000 8.12866 1335 H 28 pz Ryd( 2p) 0.00034 4.32635 1336 H 28 pz Ryd( 3p) 0.00005 6.36624 1337 H 28 pz Ryd( 4p) 0.00000 9.27324 1338 H 28 dxy Ryd( 3d) 0.00001 3.06940 1339 H 28 dxy Ryd( 4d) 0.00000 9.14474 1340 H 28 dxz Ryd( 3d) 0.00006 4.10773 1341 H 28 dxz Ryd( 4d) 0.00000 11.22416 1342 H 28 dyz Ryd( 3d) 0.00005 3.73620 1343 H 28 dyz Ryd( 4d) 0.00000 9.79303 1344 H 28 dx2y2 Ryd( 3d) 0.00002 3.29504 1345 H 28 dx2y2 Ryd( 4d) 0.00000 9.39889 1346 H 28 dz2 Ryd( 3d) 0.00007 4.42480 1347 H 28 dz2 Ryd( 4d) 0.00000 11.89669 1348 H 28 f(0) Ryd( 4f) 0.00002 7.83417 1349 H 28 f(c1) Ryd( 4f) 0.00002 7.77299 1350 H 28 f(s1) Ryd( 4f) 0.00000 7.56305 1351 H 28 f(c2) Ryd( 4f) 0.00000 7.62785 1352 H 28 f(s2) Ryd( 4f) 0.00000 7.49538 1353 H 28 f(c3) Ryd( 4f) 0.00000 7.02156 1354 H 28 f(s3) Ryd( 4f) 0.00000 6.98603 1355 H 29 s Val( 1s) 0.37638 0.04994 1356 H 29 s Ryd( 2s) 0.00030 1.38467 1357 H 29 s Ryd( 3s) 0.00015 1.70720 1358 H 29 s Ryd( 4s) 0.00000 5.93702 1359 H 29 px Ryd( 2p) 0.00028 3.88510 1360 H 29 px Ryd( 3p) 0.00003 5.39533 1361 H 29 px Ryd( 4p) 0.00000 8.93497 1362 H 29 py Ryd( 2p) 0.00007 2.51520 1363 H 29 py Ryd( 3p) 0.00008 3.05144 1364 H 29 py Ryd( 4p) 0.00001 8.14771 1365 H 29 pz Ryd( 2p) 0.00020 3.53958 1366 H 29 pz Ryd( 3p) 0.00003 4.79217 1367 H 29 pz Ryd( 4p) 0.00000 8.64824 1368 H 29 dxy Ryd( 3d) 0.00004 3.49346 1369 H 29 dxy Ryd( 4d) 0.00000 9.50022 1370 H 29 dxz Ryd( 3d) 0.00006 4.20592 1371 H 29 dxz Ryd( 4d) 0.00000 11.27595 1372 H 29 dyz Ryd( 3d) 0.00003 3.39647 1373 H 29 dyz Ryd( 4d) 0.00000 9.33245 1374 H 29 dx2y2 Ryd( 3d) 0.00004 3.88175 1375 H 29 dx2y2 Ryd( 4d) 0.00000 10.20449 1376 H 29 dz2 Ryd( 3d) 0.00005 3.87596 1377 H 29 dz2 Ryd( 4d) 0.00000 10.18474 1378 H 29 f(0) Ryd( 4f) 0.00001 7.70627 1379 H 29 f(c1) Ryd( 4f) 0.00001 7.61470 1380 H 29 f(s1) Ryd( 4f) 0.00000 7.46678 1381 H 29 f(c2) Ryd( 4f) 0.00002 7.32883 1382 H 29 f(s2) Ryd( 4f) 0.00000 7.17893 1383 H 29 f(c3) Ryd( 4f) 0.00001 7.55297 1384 H 29 f(s3) Ryd( 4f) 0.00000 7.36958 [14 electrons found in the effective core potential] Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- Tc 1 -0.11565 17.99969 3.57828 0.03768 21.61565 S 2 -0.03042 4.99999 3.00451 0.02592 8.03042 S 3 -0.01569 4.99999 2.97974 0.03596 8.01569 S 4 -0.01601 4.99999 2.98130 0.03472 8.01601 S 5 -0.01452 4.99999 2.97849 0.03604 8.01452 S 6 -0.03426 4.99999 3.00807 0.02620 8.03426 C 7 -0.47033 0.99999 2.46081 0.00953 3.47033 C 8 -0.47057 0.99999 2.46089 0.00970 3.47057 C 9 -0.46853 0.99999 2.45924 0.00930 3.46853 P 10 0.62652 4.99999 1.83896 0.03453 6.87348 C 11 -0.13951 0.99999 2.12375 0.01577 3.13951 C 12 -0.11962 0.99999 2.10503 0.01460 3.11962 C 13 -0.13933 0.99999 2.12421 0.01514 3.13933 C 14 -0.14163 0.99999 2.12604 0.01561 3.14163 C 15 -0.11711 0.99999 2.10242 0.01471 3.11711 H 16 0.11045 0.00000 0.38787 0.00169 0.38955 H 17 0.11492 0.00000 0.38368 0.00140 0.38508 H 18 0.12218 0.00000 0.37636 0.00146 0.37782 H 19 0.11016 0.00000 0.38821 0.00164 0.38984 H 20 0.12342 0.00000 0.37511 0.00148 0.37658 H 21 0.12047 0.00000 0.37816 0.00137 0.37953 H 22 0.11218 0.00000 0.38614 0.00168 0.38782 H 23 0.11815 0.00000 0.38048 0.00137 0.38185 H 24 0.11263 0.00000 0.38604 0.00133 0.38737 H 25 0.12947 0.00000 0.36888 0.00164 0.37053 H 26 0.12530 0.00000 0.37314 0.00156 0.37470 H 27 0.11995 0.00000 0.37851 0.00154 0.38005 H 28 0.12523 0.00000 0.37318 0.00159 0.37477 H 29 0.12217 0.00000 0.37638 0.00145 0.37783 ==================================================================== * Total * 0.00000 55.99953 43.64390 0.35658 100.00000 Natural Population --------------------------------------------------------- Effective Core 14.00000 Core 41.99953 ( 99.9989% of 42) Valence 43.64390 ( 99.1907% of 44) Natural Minimal Basis 99.64342 ( 99.6434% of 100) Natural Rydberg Basis 0.35658 ( 0.3566% of 100) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- Tc 1 [core]5s( 0.18)4d( 3.40)4f( 0.01)5d( 0.01)6p( 0.01) S 2 [core]3s( 0.89)3p( 2.12)3d( 0.02) S 3 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 4 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 5 [core]3s( 0.90)3p( 2.08)3d( 0.03) S 6 [core]3s( 0.89)3p( 2.12)3d( 0.02) C 7 [core]2s( 0.60)2p( 1.86) C 8 [core]2s( 0.60)2p( 1.86) C 9 [core]2s( 0.60)2p( 1.86) P 10 [core]3s( 0.57)3p( 1.27)3d( 0.02)4p( 0.01) C 11 [core]2s( 0.51)2p( 1.62)3p( 0.01) C 12 [core]2s( 0.51)2p( 1.60)4p( 0.01) C 13 [core]2s( 0.50)2p( 1.62)3p( 0.01) C 14 [core]2s( 0.50)2p( 1.62)3p( 0.01) C 15 [core]2s( 0.51)2p( 1.60)4p( 0.01) H 16 1s( 0.39) H 17 1s( 0.38) H 18 1s( 0.38) H 19 1s( 0.39) H 20 1s( 0.38) H 21 1s( 0.38) H 22 1s( 0.39) H 23 1s( 0.38) H 24 1s( 0.39) H 25 1s( 0.37) H 26 1s( 0.37) H 27 1s( 0.38) H 28 1s( 0.37) H 29 1s( 0.38) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.4571 0.0704 0.0196 0.0690 0.4508 0.0121 0.0126 0.0121 2. S 0.4571 0.0000 0.5009 0.0500 0.0090 0.0702 0.0019 0.0028 0.0010 3. S 0.0704 0.5009 0.0000 0.5101 0.0689 0.0089 0.0004 0.0013 0.0004 4. S 0.0196 0.0500 0.5101 0.0000 0.5088 0.0489 0.0002 0.0003 0.0002 5. S 0.0690 0.0090 0.0689 0.5088 0.0000 0.5028 0.0014 0.0004 0.0005 6. S 0.4508 0.0702 0.0089 0.0489 0.5028 0.0000 0.0038 0.0008 0.0019 7. C 0.0121 0.0019 0.0004 0.0002 0.0014 0.0038 0.0000 0.0067 0.0067 8. C 0.0126 0.0028 0.0013 0.0003 0.0004 0.0008 0.0067 0.0000 0.0066 9. C 0.0121 0.0010 0.0004 0.0002 0.0005 0.0019 0.0067 0.0066 0.0000 10. P 0.3588 0.0259 0.0072 0.0010 0.0071 0.0272 0.4548 0.4602 0.4559 11. C 0.0937 0.0113 0.0046 0.0034 0.0051 0.0123 0.0004 0.0011 0.0004 12. C 0.1206 0.0256 0.0021 0.0004 0.0046 0.0276 0.0003 0.0004 0.0004 13. C 0.1715 0.0355 0.0038 0.0010 0.0030 0.0098 0.0017 0.0011 0.0005 14. C 0.1657 0.0128 0.0040 0.0011 0.0036 0.0390 0.0012 0.0002 0.0021 15. C 0.1205 0.0255 0.0039 0.0005 0.0023 0.0213 0.0004 0.0003 0.0003 16. H 0.0044 0.0001 0.0001 0.0001 0.0001 0.0010 0.4652 0.0006 0.0008 17. H 0.0007 0.0001 0.0000 0.0000 0.0000 0.0001 0.4655 0.0043 0.0005 18. H 0.0008 0.0001 0.0000 0.0000 0.0004 0.0013 0.4606 0.0006 0.0040 19. H 0.0042 0.0010 0.0001 0.0000 0.0001 0.0003 0.0008 0.4662 0.0005 20. H 0.0008 0.0001 0.0000 0.0001 0.0001 0.0003 0.0005 0.4611 0.0042 21. H 0.0006 0.0007 0.0002 0.0000 0.0000 0.0001 0.0042 0.4620 0.0007 22. H 0.0040 0.0006 0.0002 0.0000 0.0001 0.0001 0.0006 0.0008 0.4647 23. H 0.0005 0.0001 0.0000 0.0000 0.0000 0.0001 0.0043 0.0005 0.4643 24. H 0.0008 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0043 0.4661 25. H 0.0033 0.0001 0.0003 0.0001 0.0004 0.0002 0.0000 0.0001 0.0001 26. H 0.0030 0.0003 0.0002 0.0001 0.0004 0.0006 0.0000 0.0000 0.0000 27. H 0.0056 0.0004 0.0005 0.0001 0.0001 0.0001 0.0001 0.0000 0.0001 28. H 0.0031 0.0006 0.0005 0.0002 0.0001 0.0002 0.0000 0.0000 0.0000 29. H 0.0050 0.0002 0.0001 0.0001 0.0005 0.0004 0.0000 0.0000 0.0002 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.3588 0.0937 0.1206 0.1715 0.1657 0.1205 0.0044 0.0007 0.0008 2. S 0.0259 0.0113 0.0256 0.0355 0.0128 0.0255 0.0001 0.0001 0.0001 3. S 0.0072 0.0046 0.0021 0.0038 0.0040 0.0039 0.0001 0.0000 0.0000 4. S 0.0010 0.0034 0.0004 0.0010 0.0011 0.0005 0.0001 0.0000 0.0000 5. S 0.0071 0.0051 0.0046 0.0030 0.0036 0.0023 0.0001 0.0000 0.0004 6. S 0.0272 0.0123 0.0276 0.0098 0.0390 0.0213 0.0010 0.0001 0.0013 7. C 0.4548 0.0004 0.0003 0.0017 0.0012 0.0004 0.4652 0.4655 0.4606 8. C 0.4602 0.0011 0.0004 0.0011 0.0002 0.0003 0.0006 0.0043 0.0006 9. C 0.4559 0.0004 0.0004 0.0005 0.0021 0.0003 0.0008 0.0005 0.0040 10. P 0.0000 0.0394 0.0083 0.0190 0.0156 0.0112 0.0015 0.0015 0.0017 11. C 0.0394 0.0000 0.6594 0.0102 0.0102 0.6648 0.0008 0.0000 0.0001 12. C 0.0083 0.6594 0.0000 0.6431 0.0143 0.0083 0.0000 0.0000 0.0000 13. C 0.0190 0.0102 0.6431 0.0000 0.6001 0.0129 0.0009 0.0002 0.0000 14. C 0.0156 0.0102 0.0143 0.6001 0.0000 0.6436 0.0000 0.0000 0.0000 15. C 0.0112 0.6648 0.0083 0.0129 0.6436 0.0000 0.0003 0.0000 0.0000 16. H 0.0015 0.0008 0.0000 0.0009 0.0000 0.0003 0.0000 0.0004 0.0005 17. H 0.0015 0.0000 0.0000 0.0002 0.0000 0.0000 0.0004 0.0000 0.0005 18. H 0.0017 0.0001 0.0000 0.0000 0.0000 0.0000 0.0005 0.0005 0.0000 19. H 0.0014 0.0008 0.0003 0.0000 0.0002 0.0002 0.0001 0.0001 0.0001 20. H 0.0018 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. H 0.0016 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 0.0006 0.0001 22. H 0.0016 0.0007 0.0002 0.0004 0.0011 0.0001 0.0001 0.0000 0.0000 23. H 0.0015 0.0000 0.0000 0.0000 0.0001 0.0000 0.0001 0.0000 0.0006 24. H 0.0015 0.0000 0.0000 0.0002 0.0002 0.0000 0.0000 0.0000 0.0001 25. H 0.0002 0.4511 0.0013 0.0040 0.0040 0.0014 0.0000 0.0000 0.0000 26. H 0.0001 0.0015 0.4523 0.0012 0.0044 0.0045 0.0000 0.0000 0.0000 27. H 0.0002 0.0037 0.0013 0.4538 0.0012 0.0038 0.0000 0.0002 0.0000 28. H 0.0001 0.0015 0.0045 0.0043 0.0012 0.4522 0.0000 0.0000 0.0000 29. H 0.0002 0.0037 0.0038 0.0012 0.4531 0.0014 0.0000 0.0000 0.0000 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0042 0.0008 0.0006 0.0040 0.0005 0.0008 0.0033 0.0030 0.0056 2. S 0.0010 0.0001 0.0007 0.0006 0.0001 0.0000 0.0001 0.0003 0.0004 3. S 0.0001 0.0000 0.0002 0.0002 0.0000 0.0000 0.0003 0.0002 0.0005 4. S 0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0001 0.0001 0.0001 5. S 0.0001 0.0001 0.0000 0.0001 0.0000 0.0000 0.0004 0.0004 0.0001 6. S 0.0003 0.0003 0.0001 0.0001 0.0001 0.0000 0.0002 0.0006 0.0001 7. C 0.0008 0.0005 0.0042 0.0006 0.0043 0.0007 0.0000 0.0000 0.0001 8. C 0.4662 0.4611 0.4620 0.0008 0.0005 0.0043 0.0001 0.0000 0.0000 9. C 0.0005 0.0042 0.0007 0.4647 0.4643 0.4661 0.0001 0.0000 0.0001 10. P 0.0014 0.0018 0.0016 0.0016 0.0015 0.0015 0.0002 0.0001 0.0002 11. C 0.0008 0.0001 0.0000 0.0007 0.0000 0.0000 0.4511 0.0015 0.0037 12. C 0.0003 0.0000 0.0000 0.0002 0.0000 0.0000 0.0013 0.4523 0.0013 13. C 0.0000 0.0000 0.0001 0.0004 0.0000 0.0002 0.0040 0.0012 0.4538 14. C 0.0002 0.0000 0.0000 0.0011 0.0001 0.0002 0.0040 0.0044 0.0012 15. C 0.0002 0.0000 0.0000 0.0001 0.0000 0.0000 0.0014 0.0045 0.0038 16. H 0.0001 0.0000 0.0000 0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 17. H 0.0001 0.0000 0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 18. H 0.0001 0.0000 0.0001 0.0000 0.0006 0.0001 0.0000 0.0000 0.0000 19. H 0.0000 0.0005 0.0004 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 20. H 0.0005 0.0000 0.0006 0.0001 0.0000 0.0006 0.0000 0.0000 0.0000 21. H 0.0004 0.0006 0.0000 0.0000 0.0000 0.0001 0.0000 0.0000 0.0000 22. H 0.0001 0.0001 0.0000 0.0000 0.0005 0.0004 0.0000 0.0000 0.0000 23. H 0.0000 0.0000 0.0000 0.0005 0.0000 0.0005 0.0000 0.0000 0.0000 24. H 0.0000 0.0006 0.0001 0.0004 0.0005 0.0000 0.0000 0.0000 0.0001 25. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 26. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0006 27. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0001 0.0002 0.0006 0.0000 28. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 0.0002 29. H 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0002 0.0002 0.0005 Atom 28 29 ---- ------ ------ 1. Tc 0.0031 0.0050 2. S 0.0006 0.0002 3. S 0.0005 0.0001 4. S 0.0002 0.0001 5. S 0.0001 0.0005 6. S 0.0002 0.0004 7. C 0.0000 0.0000 8. C 0.0000 0.0000 9. C 0.0000 0.0002 10. P 0.0001 0.0002 11. C 0.0015 0.0037 12. C 0.0045 0.0038 13. C 0.0043 0.0012 14. C 0.0012 0.4531 15. C 0.4522 0.0014 16. H 0.0000 0.0000 17. H 0.0000 0.0000 18. H 0.0000 0.0000 19. H 0.0000 0.0000 20. H 0.0000 0.0000 21. H 0.0000 0.0000 22. H 0.0000 0.0000 23. H 0.0000 0.0000 24. H 0.0000 0.0000 25. H 0.0007 0.0002 26. H 0.0002 0.0002 27. H 0.0002 0.0005 28. H 0.0000 0.0006 29. H 0.0006 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. Tc 2.1711 2. S 1.2340 3. S 1.1894 4. S 1.1463 5. S 1.1890 6. S 1.2302 7. C 1.8947 8. C 1.8952 9. C 1.8951 10. P 1.9066 11. C 1.9804 12. C 1.9793 13. C 1.9796 14. C 1.9793 15. C 1.9797 16. H 0.4773 17. H 0.4749 18. H 0.4716 19. H 0.4774 20. H 0.4710 21. H 0.4722 22. H 0.4765 23. H 0.4734 24. H 0.4759 25. H 0.4682 26. H 0.4702 27. H 0.4728 28. H 0.4703 29. H 0.4716 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0000 0.4781 0.1876 0.0990 0.1858 0.4748 0.0779 0.0793 0.0776 2. S 0.4781 0.0000 0.5005 0.1581 0.0672 0.1873 0.0312 0.0374 0.0220 3. S 0.1876 0.5005 0.0000 0.5050 0.1856 0.0667 0.0148 0.0252 0.0141 4. S 0.0990 0.1581 0.5050 0.0000 0.5044 0.1563 0.0098 0.0120 0.0088 5. S 0.1858 0.0672 0.1856 0.5044 0.0000 0.5014 0.0267 0.0147 0.0165 6. S 0.4748 0.1873 0.0667 0.1563 0.5014 0.0000 0.0437 0.0197 0.0306 7. C 0.0779 0.0312 0.0148 0.0098 0.0267 0.0437 0.0000 0.0577 0.0581 8. C 0.0793 0.0374 0.0252 0.0120 0.0147 0.0197 0.0577 0.0000 0.0576 9. C 0.0776 0.0220 0.0141 0.0088 0.0165 0.0306 0.0581 0.0576 0.0000 10. P 0.4235 0.1138 0.0602 0.0223 0.0597 0.1167 0.4769 0.4797 0.4774 11. C 0.2164 0.0752 0.0480 0.0414 0.0503 0.0783 0.0147 0.0229 0.0147 12. C 0.2455 0.1132 0.0327 0.0147 0.0481 0.1174 0.0119 0.0133 0.0144 13. C 0.2928 0.1333 0.0437 0.0221 0.0384 0.0700 0.0294 0.0234 0.0156 14. C 0.2878 0.0801 0.0449 0.0235 0.0427 0.1397 0.0242 0.0104 0.0328 15. C 0.2454 0.1130 0.0440 0.0162 0.0338 0.1033 0.0137 0.0118 0.0131 16. H 0.0471 0.0062 0.0071 0.0061 0.0069 0.0228 0.4823 0.0166 0.0195 17. H 0.0181 0.0058 0.0046 0.0025 0.0031 0.0079 0.4824 0.0462 0.0152 18. H 0.0201 0.0060 0.0030 0.0040 0.0137 0.0258 0.4799 0.0174 0.0450 19. H 0.0457 0.0218 0.0073 0.0040 0.0050 0.0132 0.0205 0.4828 0.0150 20. H 0.0198 0.0086 0.0045 0.0061 0.0051 0.0125 0.0151 0.4802 0.0457 21. H 0.0172 0.0191 0.0108 0.0027 0.0029 0.0061 0.0458 0.4806 0.0187 22. H 0.0445 0.0175 0.0091 0.0018 0.0080 0.0079 0.0168 0.0200 0.4820 23. H 0.0163 0.0076 0.0027 0.0030 0.0045 0.0063 0.0463 0.0159 0.4818 24. H 0.0201 0.0041 0.0020 0.0028 0.0021 0.0040 0.0180 0.0465 0.4828 25. H 0.0406 0.0082 0.0130 0.0052 0.0144 0.0091 0.0021 0.0050 0.0052 26. H 0.0387 0.0113 0.0088 0.0080 0.0148 0.0170 0.0025 0.0030 0.0026 27. H 0.0530 0.0134 0.0151 0.0064 0.0077 0.0076 0.0084 0.0029 0.0061 28. H 0.0392 0.0168 0.0162 0.0092 0.0085 0.0098 0.0028 0.0040 0.0019 29. H 0.0500 0.0093 0.0078 0.0057 0.0153 0.0144 0.0030 0.0034 0.0109 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.4235 0.2164 0.2455 0.2928 0.2878 0.2454 0.0471 0.0181 0.0201 2. S 0.1138 0.0752 0.1132 0.1333 0.0801 0.1130 0.0062 0.0058 0.0060 3. S 0.0602 0.0480 0.0327 0.0437 0.0449 0.0440 0.0071 0.0046 0.0030 4. S 0.0223 0.0414 0.0147 0.0221 0.0235 0.0162 0.0061 0.0025 0.0040 5. S 0.0597 0.0503 0.0481 0.0384 0.0427 0.0338 0.0069 0.0031 0.0137 6. S 0.1167 0.0783 0.1174 0.0700 0.1397 0.1033 0.0228 0.0079 0.0258 7. C 0.4769 0.0147 0.0119 0.0294 0.0242 0.0137 0.4823 0.4824 0.4799 8. C 0.4797 0.0229 0.0133 0.0234 0.0104 0.0118 0.0166 0.0462 0.0174 9. C 0.4774 0.0147 0.0144 0.0156 0.0328 0.0131 0.0195 0.0152 0.0450 10. P 0.0000 0.1403 0.0644 0.0975 0.0883 0.0749 0.0277 0.0272 0.0287 11. C 0.1403 0.0000 0.5742 0.0714 0.0713 0.5765 0.0199 0.0040 0.0050 12. C 0.0644 0.5742 0.0000 0.5670 0.0846 0.0644 0.0044 0.0032 0.0019 13. C 0.0975 0.0714 0.5670 0.0000 0.5478 0.0802 0.0209 0.0095 0.0041 14. C 0.0883 0.0713 0.0846 0.5478 0.0000 0.5673 0.0041 0.0042 0.0047 15. C 0.0749 0.5765 0.0644 0.0802 0.5673 0.0000 0.0125 0.0034 0.0031 16. H 0.0277 0.0199 0.0044 0.0209 0.0041 0.0125 0.0000 0.0148 0.0151 17. H 0.0272 0.0040 0.0032 0.0095 0.0042 0.0034 0.0148 0.0000 0.0162 18. H 0.0287 0.0050 0.0019 0.0041 0.0047 0.0031 0.0151 0.0162 0.0000 19. H 0.0265 0.0199 0.0116 0.0042 0.0104 0.0098 0.0076 0.0082 0.0050 20. H 0.0304 0.0066 0.0039 0.0031 0.0040 0.0025 0.0027 0.0037 0.0036 21. H 0.0286 0.0035 0.0027 0.0051 0.0023 0.0022 0.0043 0.0173 0.0065 22. H 0.0283 0.0192 0.0101 0.0148 0.0232 0.0061 0.0076 0.0029 0.0050 23. H 0.0275 0.0036 0.0032 0.0038 0.0071 0.0026 0.0074 0.0042 0.0172 24. H 0.0277 0.0042 0.0035 0.0109 0.0093 0.0037 0.0043 0.0038 0.0059 25. H 0.0096 0.4749 0.0257 0.0445 0.0448 0.0262 0.0009 0.0006 0.0012 26. H 0.0050 0.0274 0.4755 0.0242 0.0469 0.0472 0.0006 0.0008 0.0007 27. H 0.0093 0.0429 0.0259 0.4763 0.0248 0.0435 0.0027 0.0097 0.0015 28. H 0.0056 0.0276 0.0473 0.0466 0.0243 0.4755 0.0012 0.0008 0.0005 29. H 0.0102 0.0432 0.0437 0.0248 0.4760 0.0262 0.0015 0.0011 0.0026 Atom 19 20 21 22 23 24 25 26 27 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. Tc 0.0457 0.0198 0.0172 0.0445 0.0163 0.0201 0.0406 0.0387 0.0530 2. S 0.0218 0.0086 0.0191 0.0175 0.0076 0.0041 0.0082 0.0113 0.0134 3. S 0.0073 0.0045 0.0108 0.0091 0.0027 0.0020 0.0130 0.0088 0.0151 4. S 0.0040 0.0061 0.0027 0.0018 0.0030 0.0028 0.0052 0.0080 0.0064 5. S 0.0050 0.0051 0.0029 0.0080 0.0045 0.0021 0.0144 0.0148 0.0077 6. S 0.0132 0.0125 0.0061 0.0079 0.0063 0.0040 0.0091 0.0170 0.0076 7. C 0.0205 0.0151 0.0458 0.0168 0.0463 0.0180 0.0021 0.0025 0.0084 8. C 0.4828 0.4802 0.4806 0.0200 0.0159 0.0465 0.0050 0.0030 0.0029 9. C 0.0150 0.0457 0.0187 0.4820 0.4818 0.4828 0.0052 0.0026 0.0061 10. P 0.0265 0.0304 0.0286 0.0283 0.0275 0.0277 0.0096 0.0050 0.0093 11. C 0.0199 0.0066 0.0035 0.0192 0.0036 0.0042 0.4749 0.0274 0.0429 12. C 0.0116 0.0039 0.0027 0.0101 0.0032 0.0035 0.0257 0.4755 0.0259 13. C 0.0042 0.0031 0.0051 0.0148 0.0038 0.0109 0.0445 0.0242 0.4763 14. C 0.0104 0.0040 0.0023 0.0232 0.0071 0.0093 0.0448 0.0469 0.0248 15. C 0.0098 0.0025 0.0022 0.0061 0.0026 0.0037 0.0262 0.0472 0.0435 16. H 0.0076 0.0027 0.0043 0.0076 0.0074 0.0043 0.0009 0.0006 0.0027 17. H 0.0082 0.0037 0.0173 0.0029 0.0042 0.0038 0.0006 0.0008 0.0097 18. H 0.0050 0.0036 0.0065 0.0050 0.0172 0.0059 0.0012 0.0007 0.0015 19. H 0.0000 0.0151 0.0149 0.0073 0.0025 0.0042 0.0014 0.0014 0.0020 20. H 0.0151 0.0000 0.0171 0.0065 0.0041 0.0170 0.0012 0.0009 0.0017 21. H 0.0149 0.0171 0.0000 0.0044 0.0038 0.0065 0.0005 0.0004 0.0015 22. H 0.0073 0.0065 0.0044 0.0000 0.0152 0.0144 0.0038 0.0014 0.0018 23. H 0.0025 0.0041 0.0038 0.0152 0.0000 0.0156 0.0006 0.0006 0.0015 24. H 0.0042 0.0170 0.0065 0.0144 0.0156 0.0000 0.0014 0.0007 0.0073 25. H 0.0014 0.0012 0.0005 0.0038 0.0006 0.0014 0.0000 0.0181 0.0090 26. H 0.0014 0.0009 0.0004 0.0014 0.0006 0.0007 0.0181 0.0000 0.0176 27. H 0.0020 0.0017 0.0015 0.0018 0.0015 0.0073 0.0090 0.0176 0.0000 28. H 0.0020 0.0010 0.0005 0.0010 0.0006 0.0009 0.0183 0.0111 0.0096 29. H 0.0009 0.0023 0.0008 0.0024 0.0046 0.0042 0.0093 0.0102 0.0164 Atom 28 29 ---- ------ ------ 1. Tc 0.0392 0.0500 2. S 0.0168 0.0093 3. S 0.0162 0.0078 4. S 0.0092 0.0057 5. S 0.0085 0.0153 6. S 0.0098 0.0144 7. C 0.0028 0.0030 8. C 0.0040 0.0034 9. C 0.0019 0.0109 10. P 0.0056 0.0102 11. C 0.0276 0.0432 12. C 0.0473 0.0437 13. C 0.0466 0.0248 14. C 0.0243 0.4760 15. C 0.4755 0.0262 16. H 0.0012 0.0015 17. H 0.0008 0.0011 18. H 0.0005 0.0026 19. H 0.0020 0.0009 20. H 0.0010 0.0023 21. H 0.0005 0.0008 22. H 0.0010 0.0024 23. H 0.0006 0.0046 24. H 0.0009 0.0042 25. H 0.0183 0.0093 26. H 0.0111 0.0102 27. H 0.0096 0.0164 28. H 0.0000 0.0178 29. H 0.0178 0.0000 NATURAL BOND ORBITAL ANALYSIS, beta spin orbitals: User-requested molecular units: 1. 2. Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 0.95 96.91412 3.08588 42 31 2 11 9 7 2 3 0.94 96.73986 3.26014 42 31 0 13 10 7 3 3 0.93 97.19649 2.80351 42 32 1 11 7 6 4 3 0.92 97.33653 2.66347 42 32 1 11 6 6 5 3 0.91 97.35050 2.64950 42 28 1 15 6 6 6 3 0.89 97.35050 2.64950 42 28 1 15 6 6 7 3 0.88 97.69291 2.30709 42 27 2 15 5 6 8 3 0.87 97.69291 2.30709 42 27 2 15 5 6 9 3 0.83 97.70265 2.29735 42 27 2 15 3 6 10 3 0.79 97.59682 2.40318 42 28 1 15 3 6 11 3 0.78 97.46561 2.53439 42 29 0 15 3 6 12 3 0.76 97.43223 2.56777 42 29 0 15 3 6 13 3 0.75 97.67261 2.32739 42 30 0 14 2 6 14 3 0.83 97.70265 2.29735 42 27 2 15 3 6 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Effective core 14.00000 Core 41.99953 ( 99.999% of 42) Valence Lewis 41.70312 ( 94.780% of 44) ================== ============================= Total Lewis 97.70265 ( 97.703% of 100) ----------------------------------------------------- Valence non-Lewis 2.09923 ( 2.099% of 100) Rydberg non-Lewis 0.19812 ( 0.198% of 100) ================== ============================= Total non-Lewis 2.29735 ( 2.297% of 100) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (0.99997) CR ( 1)Tc 1 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 2. (0.99991) CR ( 2)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 3. (0.99990) CR ( 3)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (0.99990) CR ( 4)Tc 1 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 5. (1.00000) CR ( 1) S 2 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 6. (1.00000) CR ( 2) S 2 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.00000) CR ( 3) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (1.00000) CR ( 4) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (1.00000) CR ( 5) S 2 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (1.00000) CR ( 1) S 3 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 11. (1.00000) CR ( 2) S 3 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.00000) CR ( 3) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 13. (1.00000) CR ( 4) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14. (1.00000) CR ( 5) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 15. (1.00000) CR ( 1) S 4 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 16. (1.00000) CR ( 2) S 4 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 17. (1.00000) CR ( 3) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.00000) CR ( 4) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 19. (1.00000) CR ( 5) S 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 20. (1.00000) CR ( 1) S 5 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 21. (1.00000) CR ( 2) S 5 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 22. (1.00000) CR ( 3) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 23. (1.00000) CR ( 4) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 24. (1.00000) CR ( 5) S 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (1.00000) CR ( 1) S 6 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 26. (1.00000) CR ( 2) S 6 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 27. (1.00000) CR ( 3) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (1.00000) CR ( 4) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 29. (1.00000) CR ( 5) S 6 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 30. (0.99999) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 31. (0.99999) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 32. (0.99999) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 33. (1.00000) CR ( 1) P 10 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 34. (1.00000) CR ( 2) P 10 s(100.00%) 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 35. (1.00000) CR ( 3) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 36. (1.00000) CR ( 4) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.00000) CR ( 5) P 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (0.99999) CR ( 1) C 11 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (0.99999) CR ( 1) C 12 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (0.99999) CR ( 1) C 13 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (0.99999) CR ( 1) C 14 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (0.99999) CR ( 1) C 15 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 43. (0.92996) LP ( 1)Tc 1 s( 0.35%)p 0.11( 0.04%)d99.99( 99.48%) f 0.35( 0.12%)g 0.02( 0.01%) 0.0000 0.0590 0.0015 0.0003 0.0016 0.0016 -0.0002 0.0000 -0.0055 0.0015 -0.0017 -0.0013 0.0000 -0.0163 0.0007 -0.0086 0.0000 0.0000 -0.0007 0.0007 -0.0008 -0.0002 0.2243 0.0212 -0.0013 0.0012 -0.0222 0.0060 0.0001 -0.0001 -0.0717 0.0017 -0.0003 -0.0003 0.9685 -0.0031 -0.0049 0.0030 0.0104 0.0145 0.0001 0.0011 0.0029 0.0017 -0.0008 -0.0001 -0.0176 -0.0097 0.0045 -0.0002 0.0094 0.0067 -0.0026 -0.0005 0.0072 0.0012 0.0007 -0.0001 0.0035 0.0012 -0.0002 0.0000 0.0179 0.0062 -0.0009 0.0002 0.0138 0.0029 0.0012 -0.0002 0.0012 -0.0007 0.0001 -0.0001 -0.0015 0.0002 0.0043 -0.0001 0.0021 -0.0001 0.0009 0.0001 -0.0005 0.0002 -0.0040 -0.0017 -0.0059 0.0012 44. (0.88444) LP ( 2)Tc 1 s( 0.00%)p 1.00( 0.02%)d99.99( 99.89%) f 5.17( 0.08%)g 0.89( 0.01%) 0.0000 -0.0001 0.0019 0.0004 -0.0004 0.0001 0.0000 0.0000 0.0001 0.0001 -0.0006 0.0000 0.0000 0.0001 -0.0002 0.0002 0.0001 0.0000 0.0097 -0.0050 -0.0058 0.0014 -0.0632 0.0025 -0.0013 0.0000 0.9635 -0.0227 -0.0103 0.0014 -0.2486 -0.0059 0.0013 -0.0017 0.0190 -0.0012 -0.0004 0.0001 -0.0616 -0.0017 0.0017 -0.0001 -0.0044 -0.0053 0.0014 0.0000 -0.0085 -0.0015 -0.0003 0.0000 0.0030 0.0010 -0.0003 0.0000 0.0066 -0.0029 0.0029 0.0001 -0.0217 -0.0105 0.0048 0.0002 -0.0013 -0.0009 0.0009 -0.0001 0.0024 -0.0002 0.0007 0.0000 0.0001 -0.0003 0.0000 0.0014 0.0023 -0.0007 0.0018 0.0000 0.0011 -0.0003 -0.0100 0.0003 0.0050 0.0005 0.0003 0.0000 0.0012 0.0000 45. (0.98943) LP ( 1) S 2 s( 68.34%)p 0.46( 31.62%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8266 0.0018 0.0022 -0.0003 0.0000 0.0000 0.0000 0.0000 0.1492 -0.0025 0.0018 0.0008 0.0000 0.0000 -0.2867 0.0043 -0.0020 -0.0009 0.0000 0.0000 -0.4601 0.0054 -0.0037 -0.0012 0.0000 0.0031 -0.0009 -0.0002 0.0000 0.0053 -0.0040 -0.0010 -0.0002 -0.0163 0.0054 -0.0005 -0.0002 -0.0053 -0.0049 -0.0010 -0.0003 -0.0043 0.0047 -0.0001 -0.0001 0.0020 0.0004 0.0022 -0.0010 -0.0026 0.0007 -0.0008 -0.0004 0.0038 -0.0004 -0.0019 0.0008 -0.0011 -0.0003 0.0001 -0.0005 -0.0006 0.0003 -0.0002 0.0003 -0.0002 0.0001 0.0000 46. (0.83523) LP ( 2) S 2 s( 1.69%)p58.00( 98.04%)d 0.14( 0.24%) f 0.02( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1298 -0.0070 -0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0416 0.0051 -0.0036 -0.0001 0.0000 0.0000 -0.7263 0.0079 -0.0053 0.0008 0.0001 0.0000 0.6715 -0.0054 0.0010 -0.0010 0.0000 0.0168 -0.0058 -0.0005 -0.0001 -0.0175 0.0036 0.0000 0.0004 0.0039 -0.0028 -0.0003 0.0001 0.0150 -0.0077 -0.0004 0.0000 0.0373 -0.0079 -0.0012 0.0000 0.0036 -0.0001 0.0023 -0.0009 0.0061 -0.0005 0.0115 -0.0016 -0.0039 0.0000 -0.0040 0.0007 -0.0083 0.0001 0.0017 0.0028 0.0018 0.0014 -0.0003 -0.0001 0.0006 0.0013 0.0015 47. (0.70030) LP ( 3) S 2 s( 17.63%)p 4.64( 81.80%)d 0.03( 0.54%) f 0.00( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.4193 -0.0215 -0.0026 0.0005 0.0000 0.0000 0.0000 0.0000 0.4510 0.0127 -0.0028 0.0001 0.0000 0.0000 0.5587 -0.0064 -0.0019 -0.0009 0.0000 0.0000 0.5497 -0.0071 -0.0051 -0.0010 0.0001 0.0159 0.0005 -0.0001 0.0002 0.0293 -0.0058 -0.0001 0.0004 0.0480 -0.0149 -0.0010 0.0004 -0.0257 0.0035 0.0003 0.0001 0.0316 -0.0072 -0.0006 0.0004 -0.0027 0.0000 0.0052 -0.0015 0.0114 -0.0018 -0.0002 0.0002 0.0074 -0.0002 0.0044 -0.0002 0.0045 -0.0003 -0.0018 0.0017 0.0023 0.0000 0.0039 -0.0019 0.0013 -0.0016 -0.0004 48. (0.99563) LP ( 1) S 3 s( 76.15%)p 0.31( 23.81%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8725 -0.0129 0.0011 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.2528 0.0020 -0.0028 -0.0017 0.0000 0.0000 0.3653 -0.0043 0.0010 0.0009 0.0000 0.0000 -0.2018 0.0031 -0.0025 -0.0014 0.0000 0.0108 -0.0020 -0.0009 0.0001 -0.0001 0.0032 0.0014 0.0000 0.0139 0.0005 0.0006 0.0001 -0.0057 -0.0015 -0.0016 -0.0002 0.0018 0.0001 -0.0001 0.0000 0.0030 -0.0007 -0.0014 0.0013 0.0002 0.0009 0.0006 0.0006 0.0035 -0.0011 0.0030 -0.0014 0.0018 0.0002 0.0001 0.0002 -0.0001 0.0004 0.0000 0.0001 0.0000 0.0002 0.0005 49. (0.91419) LP ( 2) S 3 s( 0.68%)p99.99( 99.08%)d 0.28( 0.19%) f 0.06( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0825 0.0056 0.0014 0.0003 -0.0002 0.0000 0.0000 0.0000 -0.2808 0.0090 0.0007 -0.0003 0.0000 0.0000 -0.7307 0.0187 -0.0027 0.0007 0.0000 0.0000 -0.6143 0.0143 -0.0028 0.0001 0.0000 -0.0043 -0.0008 0.0011 -0.0001 -0.0156 0.0015 0.0014 -0.0002 0.0039 -0.0028 0.0007 -0.0002 -0.0239 0.0043 0.0012 0.0000 -0.0319 0.0041 0.0007 0.0001 -0.0060 0.0002 0.0051 -0.0004 0.0066 -0.0005 -0.0101 0.0020 0.0099 -0.0012 -0.0036 0.0009 -0.0078 0.0013 -0.0017 0.0023 0.0014 0.0007 0.0003 0.0006 0.0016 -0.0024 -0.0022 50. (0.99599) LP ( 1) S 4 s( 75.09%)p 0.33( 24.88%)d 0.00( 0.03%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8664 -0.0125 0.0005 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0621 -0.0005 -0.0017 -0.0013 0.0000 0.0000 -0.4931 0.0077 -0.0033 -0.0013 -0.0001 0.0000 -0.0407 0.0007 -0.0003 -0.0001 0.0000 -0.0099 0.0003 -0.0006 -0.0001 -0.0011 0.0000 -0.0001 0.0000 -0.0006 0.0006 0.0005 0.0000 0.0135 -0.0007 -0.0007 0.0001 -0.0023 -0.0033 -0.0026 0.0000 0.0002 -0.0003 0.0045 -0.0017 0.0017 -0.0018 0.0005 -0.0003 -0.0010 0.0002 0.0034 0.0002 0.0017 -0.0003 0.0003 0.0000 -0.0002 0.0008 0.0001 0.0001 -0.0002 0.0001 0.0004 51. (0.93924) LP ( 2) S 4 s( 3.10%)p31.21( 96.67%)d 0.06( 0.19%) f 0.01( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1760 0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.0000 -0.8889 0.0227 -0.0015 0.0005 0.0000 0.0000 0.4165 -0.0130 0.0033 -0.0010 0.0000 0.0000 0.0499 -0.0016 0.0003 -0.0001 0.0000 -0.0317 0.0056 0.0003 0.0000 -0.0024 0.0005 0.0000 0.0000 0.0029 -0.0004 -0.0001 0.0000 -0.0285 0.0020 0.0022 -0.0001 -0.0008 0.0004 -0.0005 0.0000 0.0026 -0.0003 -0.0133 0.0010 0.0095 -0.0013 0.0000 0.0000 0.0022 -0.0002 0.0009 0.0003 -0.0095 0.0012 0.0002 -0.0003 0.0008 -0.0037 -0.0025 -0.0006 0.0005 0.0007 -0.0002 52. (0.99547) LP ( 1) S 5 s( 76.04%)p 0.31( 23.92%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8719 -0.0132 0.0010 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.2473 0.0016 -0.0025 -0.0017 -0.0001 0.0000 0.3233 -0.0038 0.0005 0.0007 0.0000 0.0000 0.2711 -0.0042 0.0028 0.0017 0.0000 0.0103 -0.0016 -0.0006 0.0000 0.0025 -0.0034 -0.0015 0.0000 -0.0129 -0.0003 -0.0002 -0.0001 -0.0082 -0.0018 -0.0016 -0.0002 -0.0023 0.0002 -0.0002 0.0000 -0.0025 0.0009 -0.0027 0.0018 0.0016 0.0006 -0.0001 -0.0001 -0.0035 0.0010 0.0022 -0.0012 0.0019 0.0003 0.0001 -0.0002 -0.0001 0.0003 0.0001 0.0001 -0.0002 0.0002 0.0005 53. (0.91496) LP ( 2) S 5 s( 0.72%)p99.99( 99.05%)d 0.26( 0.19%) f 0.06( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0845 0.0051 0.0013 0.0003 -0.0002 0.0000 0.0000 0.0000 -0.2552 0.0086 0.0008 -0.0003 0.0000 0.0000 -0.8301 0.0215 -0.0032 0.0006 0.0000 0.0000 0.4855 -0.0109 0.0021 0.0000 0.0000 -0.0073 -0.0004 0.0012 -0.0002 0.0131 -0.0013 -0.0012 0.0002 0.0099 0.0009 -0.0012 0.0002 -0.0227 0.0046 0.0010 0.0000 -0.0316 0.0047 0.0005 0.0001 0.0075 -0.0003 0.0023 0.0001 0.0014 0.0001 0.0098 -0.0018 -0.0093 0.0010 -0.0052 0.0010 -0.0106 0.0018 -0.0019 -0.0022 -0.0005 -0.0002 0.0014 -0.0007 -0.0009 -0.0027 -0.0022 54. (0.98952) LP ( 1) S 6 s( 68.11%)p 0.47( 31.84%)d 0.00( 0.05%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8253 0.0019 0.0021 -0.0003 0.0000 0.0000 0.0000 0.0000 0.1688 -0.0036 0.0019 0.0008 0.0000 0.0000 -0.3629 0.0056 -0.0030 -0.0010 0.0000 0.0000 0.3977 -0.0041 0.0030 0.0009 0.0000 0.0045 -0.0016 -0.0004 -0.0001 -0.0047 0.0045 0.0010 0.0002 0.0174 -0.0059 0.0008 0.0003 -0.0029 -0.0053 -0.0010 -0.0001 0.0010 0.0028 0.0000 -0.0001 -0.0029 0.0000 0.0009 -0.0009 -0.0014 0.0006 0.0002 0.0004 -0.0035 0.0004 -0.0029 0.0009 -0.0015 -0.0004 0.0003 0.0004 0.0003 0.0006 -0.0002 -0.0004 0.0000 0.0001 0.0001 55. (0.83649) LP ( 2) S 6 s( 1.40%)p70.29( 98.35%)d 0.16( 0.22%) f 0.02( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1180 -0.0077 -0.0008 0.0001 0.0000 0.0000 0.0000 0.0000 -0.0746 0.0031 -0.0022 0.0000 0.0000 0.0000 -0.6155 0.0087 -0.0056 0.0006 0.0001 0.0000 -0.7739 0.0059 -0.0016 0.0011 0.0000 0.0107 -0.0032 -0.0009 0.0000 0.0216 -0.0041 -0.0003 -0.0004 -0.0156 0.0053 0.0007 -0.0001 0.0140 -0.0070 -0.0004 -0.0001 0.0320 -0.0062 -0.0011 0.0001 -0.0004 -0.0001 0.0038 -0.0009 0.0097 -0.0008 -0.0114 0.0014 0.0050 0.0002 -0.0041 0.0009 -0.0067 -0.0001 0.0007 -0.0026 -0.0027 0.0001 0.0005 0.0003 -0.0011 0.0010 0.0014 56. (0.70231) LP ( 3) S 6 s( 18.00%)p 4.52( 81.43%)d 0.03( 0.55%) f 0.00( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.4236 -0.0231 -0.0025 0.0005 0.0000 0.0000 0.0000 0.0000 0.4268 0.0138 -0.0032 0.0001 0.0000 0.0000 0.6339 -0.0078 -0.0028 -0.0009 0.0000 0.0000 -0.4795 0.0046 0.0052 0.0008 -0.0001 0.0195 -0.0010 0.0001 0.0002 -0.0231 0.0059 0.0000 -0.0003 -0.0513 0.0162 0.0011 -0.0005 -0.0346 0.0055 0.0004 0.0000 0.0195 -0.0029 -0.0003 0.0003 0.0073 -0.0007 0.0035 -0.0014 0.0095 -0.0014 0.0032 -0.0006 -0.0087 0.0004 0.0030 -0.0001 0.0044 -0.0004 -0.0026 -0.0006 -0.0011 -0.0010 0.0034 0.0030 -0.0004 -0.0016 -0.0010 57. (0.51352) LP ( 1) C 11 s( 2.64%)p36.71( 97.05%)d 0.07( 0.19%) f 0.04( 0.10%)g 0.01( 0.02%) 0.0000 0.1610 -0.0227 -0.0023 -0.0004 0.0001 0.0000 0.0128 0.0294 -0.0009 0.0022 -0.9811 -0.0238 0.0116 -0.0006 -0.0793 -0.0042 0.0008 -0.0001 -0.0391 -0.0018 0.0010 -0.0032 -0.0001 0.0001 0.0058 -0.0001 0.0000 -0.0156 0.0018 -0.0004 -0.0094 0.0015 -0.0001 -0.0021 -0.0006 0.0031 0.0013 -0.0075 -0.0017 -0.0019 -0.0002 0.0024 -0.0004 -0.0144 0.0011 -0.0261 -0.0006 0.0002 -0.0021 0.0016 0.0010 -0.0111 -0.0011 -0.0023 0.0011 0.0051 58. (0.97834) BD ( 1)Tc 1- P 10 ( 41.36%) 0.6431*Tc 1 s( 9.70%)p 0.01( 0.07%)d 9.29( 90.04%) f 0.02( 0.17%)g 0.00( 0.03%) 0.0000 0.3113 -0.0036 0.0021 0.0034 0.0017 0.0001 0.0000 0.0158 0.0176 0.0022 -0.0003 0.0000 -0.0044 -0.0122 0.0012 0.0009 0.0000 -0.0018 -0.0007 0.0005 0.0001 -0.7844 -0.0339 -0.0120 0.0024 -0.0707 -0.0023 -0.0001 0.0002 0.0606 0.0000 -0.0002 0.0001 0.1717 -0.0167 0.0026 -0.0025 -0.4953 -0.0009 -0.0068 0.0013 0.0033 0.0015 0.0002 0.0000 0.0185 -0.0027 -0.0025 -0.0001 0.0089 0.0129 -0.0005 -0.0001 -0.0017 0.0003 -0.0003 0.0000 -0.0057 0.0002 0.0004 -0.0001 0.0160 0.0016 -0.0025 0.0007 -0.0200 -0.0191 -0.0007 -0.0002 0.0088 -0.0008 0.0008 -0.0003 -0.0017 0.0002 -0.0015 0.0008 0.0048 -0.0012 0.0003 -0.0001 0.0014 -0.0004 -0.0119 0.0015 -0.0015 0.0009 ( 58.64%) 0.7658* P 10 s( 35.78%)p 1.79( 63.88%)d 0.01( 0.26%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.0000 0.5971 -0.0347 0.0037 0.0002 0.0000 0.0000 0.0000 0.0000 -0.6814 -0.0324 0.0005 0.0022 0.0001 0.0000 0.4147 0.0349 0.0008 -0.0007 0.0001 0.0000 0.0150 0.0023 -0.0001 0.0000 0.0001 0.0219 -0.0355 0.0033 -0.0007 0.0002 0.0034 0.0003 -0.0001 -0.0002 0.0003 0.0000 -0.0001 -0.0133 -0.0118 -0.0015 0.0002 0.0158 -0.0174 0.0023 -0.0004 0.0055 0.0005 0.0106 0.0045 -0.0072 -0.0033 0.0027 0.0006 -0.0064 -0.0012 0.0055 0.0016 0.0168 0.0074 0.0038 0.0013 -0.0007 -0.0022 0.0055 0.0001 -0.0001 -0.0053 -0.0059 59. (0.99055) BD ( 1) S 2- S 3 ( 46.59%) 0.6826* S 2 s( 12.43%)p 6.95( 86.43%)d 0.08( 1.05%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3510 0.0335 -0.0041 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8692 -0.0453 0.0051 -0.0019 0.0000 0.0000 0.2742 -0.0109 -0.0030 0.0005 0.0000 0.0000 0.1757 -0.0230 -0.0034 0.0005 0.0000 -0.0430 0.0050 0.0001 0.0001 -0.0402 0.0159 -0.0004 0.0001 0.0138 -0.0086 -0.0004 0.0000 0.0699 0.0148 0.0001 0.0000 -0.0348 -0.0138 0.0003 -0.0002 -0.0029 -0.0013 0.0108 0.0029 -0.0008 -0.0012 0.0031 0.0022 -0.0072 0.0010 -0.0198 -0.0015 0.0126 0.0014 0.0033 0.0013 0.0002 -0.0048 0.0004 -0.0018 0.0000 0.0043 -0.0046 ( 53.41%) 0.7308* S 3 s( 11.76%)p 7.38( 86.81%)d 0.11( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3420 0.0245 -0.0048 0.0002 0.0003 0.0000 0.0000 0.0000 0.8963 0.0237 -0.0057 -0.0019 0.0000 0.0000 -0.2379 -0.0028 -0.0007 0.0010 0.0000 0.0000 -0.0813 -0.0312 -0.0059 0.0004 -0.0001 -0.0428 -0.0024 0.0027 -0.0001 0.0024 -0.0099 0.0012 0.0000 0.0005 0.0047 -0.0002 0.0001 0.0888 -0.0037 -0.0015 0.0003 -0.0566 -0.0001 0.0017 -0.0001 0.0047 0.0003 -0.0150 -0.0007 0.0036 0.0005 -0.0087 0.0003 -0.0015 0.0000 0.0229 -0.0009 -0.0141 -0.0002 0.0033 0.0030 -0.0004 -0.0047 0.0011 -0.0025 0.0019 0.0053 -0.0054 60. (0.99313) BD ( 1) S 3- S 4 ( 49.97%) 0.7069* S 3 s( 11.52%)p 7.56( 87.13%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3371 0.0402 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1911 -0.0409 -0.0038 0.0000 -0.0001 0.0000 -0.5204 -0.0191 0.0011 -0.0006 0.0001 0.0000 0.7491 0.0271 -0.0021 0.0011 -0.0001 0.0150 0.0072 -0.0001 0.0001 -0.0209 -0.0094 -0.0004 0.0001 -0.0842 -0.0027 0.0011 -0.0002 -0.0250 -0.0041 0.0010 -0.0001 0.0617 -0.0007 0.0005 0.0000 -0.0010 0.0014 -0.0100 -0.0002 -0.0252 0.0001 -0.0064 -0.0009 0.0139 -0.0004 0.0018 0.0000 -0.0032 0.0013 -0.0024 -0.0034 -0.0045 -0.0035 0.0056 0.0046 -0.0003 -0.0019 -0.0013 ( 50.03%) 0.7073* S 4 s( 11.02%)p 7.94( 87.55%)d 0.12( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3302 0.0350 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3056 -0.0033 -0.0042 0.0005 -0.0001 0.0000 0.5936 0.0085 -0.0034 0.0000 -0.0001 0.0000 -0.6538 -0.0479 -0.0015 -0.0001 0.0000 0.0475 -0.0056 -0.0003 0.0001 -0.0507 -0.0012 0.0000 0.0000 -0.0850 -0.0040 0.0015 -0.0003 -0.0224 -0.0012 0.0013 -0.0001 0.0211 0.0034 0.0004 0.0000 -0.0045 0.0008 0.0091 0.0004 0.0219 -0.0010 0.0100 0.0000 -0.0174 -0.0004 -0.0097 0.0004 0.0018 -0.0005 -0.0039 -0.0029 -0.0050 -0.0041 0.0055 0.0041 0.0002 -0.0009 -0.0011 61. (0.99312) BD ( 1) S 4- S 5 ( 49.99%) 0.7070* S 4 s( 10.92%)p 8.03( 87.66%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3286 0.0347 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3269 -0.0019 -0.0042 0.0005 -0.0001 0.0000 0.4733 0.0002 -0.0037 0.0000 -0.0001 0.0000 0.7371 0.0488 0.0009 0.0002 0.0000 0.0401 -0.0055 -0.0003 0.0001 0.0606 0.0005 -0.0001 0.0001 0.0763 0.0032 -0.0017 0.0003 -0.0065 -0.0006 0.0010 -0.0001 0.0424 0.0046 -0.0001 0.0001 0.0125 -0.0012 0.0148 0.0004 0.0190 -0.0005 -0.0026 -0.0004 0.0167 0.0002 -0.0062 0.0005 0.0038 -0.0005 -0.0008 0.0049 0.0070 -0.0011 0.0055 -0.0025 0.0013 -0.0009 -0.0002 ( 50.01%) 0.7072* S 5 s( 11.44%)p 7.62( 87.22%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3359 0.0397 0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 -0.2199 -0.0418 -0.0040 -0.0001 -0.0001 0.0000 -0.3810 -0.0141 0.0007 -0.0003 0.0001 0.0000 -0.8221 -0.0283 0.0023 -0.0012 0.0001 0.0128 0.0056 -0.0002 0.0002 0.0283 0.0104 0.0004 -0.0001 0.0647 0.0033 -0.0014 0.0002 -0.0112 -0.0032 0.0009 -0.0001 0.0831 -0.0003 0.0001 0.0001 -0.0086 -0.0013 -0.0138 -0.0003 -0.0233 0.0003 -0.0019 0.0012 -0.0117 0.0004 -0.0010 0.0001 -0.0043 0.0011 0.0000 0.0056 0.0056 -0.0006 0.0054 -0.0030 0.0018 -0.0018 -0.0003 62. (0.99034) BD ( 1) S 5- S 6 ( 53.27%) 0.7298* S 5 s( 11.93%)p 7.26( 86.63%)d 0.11( 1.32%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3444 0.0258 -0.0043 0.0002 0.0003 0.0000 0.0000 0.0000 0.8984 0.0261 -0.0051 -0.0019 0.0001 0.0000 -0.2397 -0.0075 -0.0016 0.0010 0.0000 0.0000 0.0030 0.0296 0.0062 -0.0001 0.0001 -0.0407 -0.0039 0.0029 -0.0001 -0.0177 0.0092 -0.0005 -0.0001 0.0031 -0.0036 -0.0002 -0.0001 0.0894 -0.0038 -0.0016 0.0003 -0.0556 -0.0023 0.0017 -0.0001 -0.0017 0.0001 -0.0152 -0.0007 0.0030 0.0007 0.0041 -0.0002 0.0019 0.0004 0.0239 -0.0009 -0.0152 -0.0001 0.0037 -0.0016 0.0002 -0.0054 0.0015 0.0009 -0.0010 0.0052 -0.0058 ( 46.73%) 0.6836* S 6 s( 12.61%)p 6.84( 86.27%)d 0.08( 1.04%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3532 0.0360 -0.0042 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8756 -0.0441 0.0044 -0.0021 0.0000 0.0000 0.2909 -0.0145 -0.0032 0.0006 0.0000 0.0000 -0.0936 0.0221 0.0033 -0.0003 0.0000 -0.0476 0.0072 0.0002 0.0000 0.0267 -0.0167 0.0006 -0.0001 -0.0125 0.0093 0.0002 0.0000 0.0696 0.0155 0.0001 0.0000 -0.0406 -0.0106 0.0005 -0.0002 0.0007 0.0006 0.0134 0.0028 -0.0018 -0.0009 0.0013 -0.0020 0.0066 -0.0013 -0.0189 -0.0020 0.0130 0.0019 0.0033 -0.0004 -0.0002 -0.0049 0.0003 0.0001 0.0008 0.0045 -0.0047 63. (0.98964) BD ( 1) C 7- P 10 ( 62.16%) 0.7884* C 7 s( 27.01%)p 2.69( 72.63%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5194 -0.0191 -0.0032 -0.0002 0.0000 0.0001 -0.3502 -0.0085 -0.0037 0.0000 0.1813 0.0054 0.0024 -0.0001 -0.7552 -0.0142 -0.0071 -0.0005 -0.0076 -0.0007 0.0005 0.0344 0.0003 -0.0006 -0.0185 0.0002 0.0002 0.0054 0.0002 -0.0002 0.0360 0.0000 -0.0004 -0.0082 0.0009 -0.0118 0.0024 0.0063 -0.0013 -0.0079 0.0000 0.0111 0.0002 0.0008 0.0003 -0.0106 -0.0020 0.0021 0.0084 -0.0043 0.0046 -0.0064 0.0003 -0.0009 0.0004 0.0009 ( 37.84%) 0.6151* P 10 s( 21.40%)p 3.64( 77.80%)d 0.04( 0.78%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4619 0.0245 -0.0013 -0.0001 0.0002 0.0000 0.0000 0.0000 0.3201 -0.0029 -0.0010 0.0002 0.0002 0.0000 -0.1648 -0.0030 -0.0002 0.0002 -0.0001 0.0000 0.8047 -0.0285 0.0002 0.0025 -0.0001 0.0164 0.0049 -0.0010 -0.0001 -0.0585 -0.0006 0.0042 0.0001 0.0306 0.0005 -0.0021 -0.0002 -0.0109 0.0011 0.0004 0.0001 -0.0539 0.0072 0.0041 0.0003 -0.0002 0.0026 -0.0047 0.0041 0.0031 -0.0021 0.0026 0.0021 -0.0054 -0.0028 0.0004 -0.0004 0.0084 0.0010 0.0019 0.0040 -0.0023 0.0019 -0.0029 0.0003 0.0009 0.0015 0.0022 64. (0.99396) BD ( 1) C 7- H 16 ( 61.22%) 0.7825* C 7 s( 24.61%)p 3.06( 75.21%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4960 0.0086 0.0006 0.0003 0.0001 0.0000 0.7621 -0.0063 -0.0020 0.0002 -0.3992 0.0031 0.0010 -0.0001 -0.1087 -0.0108 -0.0018 -0.0001 -0.0236 -0.0030 -0.0003 -0.0178 0.0024 0.0000 0.0099 -0.0019 0.0001 0.0161 0.0022 0.0002 -0.0065 -0.0064 -0.0006 -0.0114 0.0007 -0.0040 -0.0008 0.0016 0.0004 -0.0051 -0.0014 0.0073 0.0020 0.0009 -0.0001 -0.0063 0.0002 0.0039 0.0012 -0.0007 -0.0041 0.0058 -0.0007 0.0055 -0.0036 -0.0094 ( 38.78%) 0.6227* H 16 s( 99.85%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0026 0.0000 0.0000 0.0303 -0.0027 0.0025 -0.0158 0.0018 -0.0014 -0.0105 -0.0033 -0.0006 -0.0065 -0.0023 -0.0008 -0.0004 0.0004 0.0002 0.0044 0.0016 -0.0035 -0.0017 -0.0006 0.0051 -0.0027 0.0013 -0.0019 -0.0009 0.0073 65. (0.99300) BD ( 1) C 7- H 17 ( 61.47%) 0.7840* C 7 s( 23.94%)p 3.17( 75.87%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4892 0.0086 0.0011 -0.0001 -0.0001 0.0000 0.1301 -0.0047 0.0003 0.0002 0.7333 0.0004 -0.0021 -0.0001 0.4515 -0.0127 -0.0018 -0.0001 0.0018 0.0026 0.0004 0.0023 0.0009 -0.0005 0.0160 0.0072 0.0005 -0.0303 0.0005 -0.0001 -0.0122 0.0027 -0.0004 -0.0022 -0.0013 -0.0079 -0.0017 0.0048 -0.0011 -0.0001 -0.0006 0.0100 -0.0004 0.0034 0.0003 -0.0076 -0.0009 -0.0041 -0.0037 -0.0043 -0.0045 0.0025 -0.0051 -0.0073 0.0057 -0.0025 ( 38.53%) 0.6208* H 17 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0009 0.0002 0.0000 0.0071 0.0005 0.0008 0.0309 -0.0016 0.0026 0.0133 -0.0037 0.0013 0.0023 0.0009 0.0012 0.0005 0.0061 0.0027 -0.0054 -0.0019 0.0006 -0.0003 0.0041 0.0002 -0.0022 0.0064 -0.0028 0.0019 0.0040 66. (0.99178) BD ( 1) C 7- H 18 ( 62.19%) 0.7886* C 7 s( 24.29%)p 3.11( 75.52%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4928 0.0089 0.0012 0.0000 0.0000 0.0000 -0.5265 -0.0035 0.0014 0.0001 -0.5176 0.0037 0.0017 0.0001 0.4582 -0.0111 -0.0032 -0.0003 0.0284 0.0005 0.0002 -0.0125 -0.0056 -0.0004 -0.0122 -0.0043 0.0000 0.0095 -0.0031 -0.0002 -0.0114 0.0024 -0.0003 -0.0025 -0.0014 -0.0085 0.0000 0.0038 0.0019 -0.0097 0.0006 0.0045 0.0004 -0.0018 0.0001 -0.0085 -0.0010 -0.0044 0.0014 0.0053 -0.0007 0.0053 0.0067 -0.0061 -0.0058 0.0020 ( 37.81%) 0.6149* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0015 0.0001 0.0001 -0.0210 0.0009 -0.0013 -0.0228 0.0012 -0.0021 0.0141 -0.0040 0.0011 0.0056 0.0019 -0.0039 -0.0019 -0.0047 -0.0019 0.0001 -0.0001 0.0007 -0.0002 0.0041 0.0022 0.0012 0.0004 -0.0071 -0.0029 0.0034 67. (0.99002) BD ( 1) C 8- P 10 ( 61.74%) 0.7857* C 8 s( 26.93%)p 2.70( 72.70%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5186 -0.0180 -0.0032 -0.0002 0.0001 0.0000 0.0412 -0.0010 0.0010 0.0003 0.7722 0.0149 0.0086 0.0002 0.3588 0.0062 0.0038 0.0001 0.0044 -0.0006 0.0003 0.0022 -0.0005 0.0001 0.0353 0.0008 -0.0007 -0.0390 -0.0001 0.0005 -0.0122 -0.0006 0.0004 -0.0143 0.0001 -0.0066 -0.0010 0.0033 0.0009 -0.0047 0.0031 0.0039 0.0003 0.0008 0.0007 -0.0156 0.0010 -0.0032 -0.0014 -0.0067 -0.0012 -0.0007 -0.0018 -0.0068 0.0072 -0.0010 ( 38.26%) 0.6185* P 10 s( 21.55%)p 3.60( 77.65%)d 0.04( 0.77%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4635 0.0257 -0.0004 -0.0003 -0.0001 0.0000 0.0000 0.0000 -0.0822 0.0109 -0.0014 -0.0011 0.0002 0.0000 -0.7855 0.0183 -0.0007 -0.0028 0.0000 0.0000 -0.3901 0.0129 0.0000 -0.0012 0.0001 0.0013 0.0056 0.0006 0.0001 0.0004 -0.0008 0.0001 0.0001 -0.0573 -0.0020 0.0045 0.0006 0.0630 -0.0004 -0.0044 -0.0005 0.0197 0.0022 -0.0017 -0.0001 0.0035 0.0034 0.0060 0.0008 -0.0019 -0.0003 -0.0052 0.0031 -0.0036 -0.0005 -0.0052 -0.0004 0.0016 0.0041 -0.0025 -0.0011 -0.0020 -0.0005 -0.0012 -0.0028 -0.0031 0.0040 -0.0009 68. (0.99405) BD ( 1) C 8- H 19 ( 61.16%) 0.7820* C 8 s( 24.65%)p 3.05( 75.17%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4964 0.0074 0.0007 0.0002 0.0000 0.0000 0.7507 -0.0003 -0.0010 0.0003 -0.4210 0.0129 0.0033 -0.0003 0.1034 0.0047 0.0014 0.0001 -0.0145 -0.0070 -0.0005 0.0158 -0.0024 -0.0003 0.0000 -0.0023 -0.0003 0.0242 -0.0003 0.0003 -0.0169 -0.0013 -0.0003 -0.0120 -0.0015 -0.0033 0.0000 0.0024 -0.0007 -0.0020 -0.0003 0.0077 -0.0006 -0.0020 0.0019 -0.0060 -0.0012 0.0045 -0.0046 0.0034 -0.0035 0.0060 0.0011 -0.0010 -0.0051 -0.0086 ( 38.84%) 0.6232* H 19 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0023 -0.0001 0.0000 0.0321 -0.0011 0.0028 -0.0112 0.0044 -0.0013 0.0064 0.0014 0.0002 -0.0064 -0.0025 0.0014 0.0004 -0.0001 -0.0004 0.0028 0.0012 -0.0045 -0.0015 0.0022 0.0046 -0.0027 -0.0005 0.0013 0.0004 0.0076 69. (0.99241) BD ( 1) C 8- H 20 ( 62.31%) 0.7894* C 8 s( 24.06%)p 3.15( 75.75%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4905 0.0078 0.0013 0.0000 0.0000 0.0000 -0.6362 0.0017 0.0031 0.0003 -0.4659 0.0105 0.0016 0.0001 0.3681 0.0056 -0.0002 0.0001 0.0150 0.0058 0.0002 -0.0296 0.0014 0.0002 -0.0089 -0.0031 -0.0006 0.0138 -0.0005 0.0004 0.0003 -0.0037 0.0001 -0.0096 -0.0009 -0.0073 -0.0010 0.0054 -0.0011 -0.0042 0.0001 -0.0024 0.0005 0.0020 -0.0019 -0.0081 -0.0011 -0.0034 0.0055 0.0061 0.0020 0.0013 0.0024 -0.0063 -0.0066 0.0050 ( 37.69%) 0.6139* H 20 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0011 0.0000 0.0000 -0.0229 0.0037 -0.0018 -0.0159 0.0021 -0.0014 0.0186 0.0006 0.0013 0.0062 0.0024 -0.0039 -0.0016 -0.0023 -0.0015 0.0008 0.0006 -0.0016 -0.0008 0.0046 -0.0004 -0.0006 -0.0013 -0.0057 -0.0018 0.0056 70. (0.99185) BD ( 1) C 8- H 21 ( 61.98%) 0.7873* C 8 s( 24.20%)p 3.12( 75.61%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4919 0.0092 0.0009 0.0001 0.0000 0.0000 -0.1667 0.0029 0.0009 -0.0001 0.0740 0.0106 0.0017 0.0002 -0.8501 0.0067 0.0038 0.0001 -0.0047 0.0014 0.0000 0.0108 0.0021 -0.0001 -0.0198 0.0037 -0.0002 -0.0070 0.0038 0.0003 0.0276 0.0056 0.0005 -0.0068 -0.0004 -0.0031 -0.0001 -0.0009 0.0022 0.0003 -0.0010 0.0031 0.0010 0.0016 -0.0003 -0.0145 -0.0008 0.0107 0.0076 -0.0030 0.0009 -0.0025 -0.0002 0.0030 -0.0007 0.0010 ( 38.02%) 0.6166* H 21 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0011 0.0001 0.0000 -0.0029 0.0022 0.0000 0.0079 0.0029 0.0004 -0.0337 0.0035 -0.0030 0.0004 -0.0001 0.0027 0.0010 -0.0005 -0.0003 -0.0013 0.0002 0.0073 0.0031 0.0083 0.0044 -0.0014 0.0009 -0.0007 0.0001 0.0007 71. (0.98986) BD ( 1) C 9- P 10 ( 62.50%) 0.7906* C 9 s( 27.22%)p 2.66( 72.42%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 0.5214 -0.0190 -0.0029 -0.0004 -0.0001 0.0000 -0.6542 -0.0149 -0.0066 -0.0001 -0.3675 -0.0053 -0.0029 -0.0005 0.4009 0.0088 0.0041 0.0002 0.0305 -0.0003 -0.0003 -0.0346 0.0001 0.0006 -0.0175 -0.0006 0.0003 0.0192 0.0003 -0.0005 -0.0077 -0.0005 0.0003 -0.0122 0.0005 -0.0082 -0.0009 0.0057 0.0010 -0.0006 -0.0022 0.0094 -0.0019 -0.0051 -0.0008 -0.0134 0.0011 -0.0040 0.0042 0.0042 0.0020 0.0020 0.0006 -0.0076 -0.0022 0.0060 ( 37.50%) 0.6124* P 10 s( 21.41%)p 3.63( 77.78%)d 0.04( 0.79%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.4620 0.0265 -0.0006 0.0001 -0.0001 0.0000 0.0000 0.0000 0.6456 -0.0113 -0.0008 0.0016 0.0001 0.0000 0.4158 -0.0227 -0.0005 0.0019 -0.0002 0.0000 -0.4326 0.0167 -0.0009 -0.0014 0.0001 -0.0467 0.0093 0.0037 0.0001 0.0570 -0.0004 -0.0043 -0.0002 0.0275 0.0020 -0.0025 -0.0002 -0.0361 0.0034 0.0025 0.0002 0.0152 0.0009 -0.0010 -0.0002 0.0039 0.0032 0.0048 0.0012 -0.0040 -0.0004 0.0064 -0.0015 0.0039 -0.0035 0.0036 0.0011 -0.0008 0.0032 -0.0029 0.0007 0.0019 0.0015 0.0001 0.0020 -0.0036 -0.0014 0.0034 72. (0.99403) BD ( 1) C 9- H 22 ( 61.39%) 0.7835* C 9 s( 24.72%)p 3.04( 75.10%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4971 0.0085 0.0007 0.0002 0.0002 0.0000 0.6917 -0.0095 -0.0037 -0.0002 -0.5219 -0.0049 0.0007 0.0000 0.0048 0.0068 0.0005 -0.0002 -0.0283 -0.0041 -0.0005 0.0034 -0.0002 0.0000 -0.0094 0.0038 0.0002 -0.0040 0.0049 0.0004 -0.0190 -0.0013 -0.0002 -0.0106 -0.0015 -0.0047 0.0000 0.0026 0.0006 -0.0049 0.0009 0.0084 0.0001 -0.0004 -0.0019 -0.0053 -0.0006 0.0058 -0.0019 0.0007 -0.0022 0.0072 -0.0003 0.0024 -0.0082 -0.0054 ( 38.61%) 0.6213* H 22 s( 99.86%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 -0.0026 0.0000 0.0000 0.0247 -0.0039 0.0022 -0.0247 -0.0006 -0.0019 0.0037 0.0018 0.0003 -0.0064 -0.0026 -0.0007 -0.0001 -0.0004 0.0001 0.0027 0.0010 -0.0045 -0.0015 0.0006 0.0047 -0.0034 0.0002 -0.0008 0.0022 0.0072 73. (0.99320) BD ( 1) C 9- H 23 ( 61.79%) 0.7861* C 9 s( 24.15%)p 3.13( 75.67%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4914 0.0087 0.0013 -0.0001 -0.0001 0.0000 -0.2138 -0.0083 0.0014 0.0003 0.1772 -0.0040 -0.0019 -0.0006 -0.8242 0.0077 0.0023 -0.0001 -0.0001 -0.0022 -0.0001 0.0259 -0.0018 0.0002 -0.0071 -0.0033 0.0002 0.0075 -0.0027 -0.0003 0.0225 0.0059 0.0004 -0.0056 -0.0001 -0.0011 -0.0019 0.0041 -0.0010 -0.0021 -0.0005 0.0045 0.0015 -0.0059 -0.0001 -0.0125 -0.0006 0.0073 0.0075 -0.0070 0.0017 -0.0051 0.0008 0.0020 0.0012 -0.0005 ( 38.21%) 0.6181* H 23 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0008 0.0002 0.0000 -0.0102 -0.0002 -0.0005 0.0053 -0.0012 0.0005 -0.0318 0.0034 -0.0028 0.0005 -0.0004 0.0030 0.0012 -0.0031 -0.0011 -0.0003 -0.0001 0.0067 0.0029 0.0068 0.0046 -0.0042 0.0002 -0.0022 0.0001 0.0004 74. (0.99268) BD ( 1) C 9- H 24 ( 61.23%) 0.7825* C 9 s( 23.76%)p 3.20( 76.06%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 0.4873 0.0086 0.0007 0.0001 0.0000 0.0000 0.2109 -0.0107 -0.0001 0.0001 0.7474 -0.0084 -0.0023 -0.0001 0.3965 0.0034 0.0001 0.0004 0.0035 0.0037 0.0002 -0.0021 0.0045 0.0004 0.0303 0.0009 0.0001 -0.0190 -0.0038 -0.0003 0.0033 -0.0046 0.0002 -0.0069 -0.0008 -0.0099 0.0005 0.0051 0.0014 0.0036 -0.0004 0.0040 0.0007 -0.0038 0.0013 -0.0071 -0.0014 -0.0037 -0.0039 -0.0062 -0.0036 -0.0001 -0.0062 -0.0045 0.0045 -0.0063 ( 38.77%) 0.6227* H 24 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0010 0.0002 0.0000 0.0053 -0.0026 0.0009 0.0271 -0.0030 0.0025 0.0190 0.0000 0.0017 0.0043 0.0013 0.0009 0.0008 0.0049 0.0021 -0.0050 -0.0019 -0.0013 -0.0007 0.0045 0.0004 0.0000 0.0050 -0.0036 0.0038 0.0038 75. (0.98715) BD ( 1) C 11- C 12 ( 49.66%) 0.7047* C 11 s( 32.31%)p 2.09( 67.48%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5685 0.0002 0.0010 0.0001 0.0002 0.0000 0.4543 0.0184 0.0064 0.0015 0.0451 -0.0107 -0.0084 0.0004 0.6815 -0.0364 -0.0007 0.0023 -0.0153 0.0036 0.0003 0.0215 0.0117 0.0008 -0.0092 -0.0007 0.0005 0.0209 0.0050 -0.0023 -0.0013 0.0084 0.0006 0.0022 -0.0007 0.0145 0.0016 0.0015 -0.0004 0.0112 0.0017 -0.0081 0.0001 0.0058 0.0003 -0.0015 0.0003 -0.0059 0.0071 -0.0005 0.0076 -0.0005 -0.0012 -0.0012 0.0011 -0.0007 ( 50.34%) 0.7095* C 12 s( 32.67%)p 2.05( 67.12%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5716 0.0009 0.0009 0.0000 -0.0002 0.0000 -0.5797 0.0349 0.0016 -0.0020 0.2396 -0.0122 -0.0073 0.0012 -0.5255 -0.0138 -0.0049 -0.0023 0.0026 -0.0032 -0.0004 0.0186 0.0111 0.0013 0.0040 -0.0065 0.0000 0.0106 0.0057 -0.0006 0.0276 0.0007 -0.0017 0.0006 0.0003 -0.0125 -0.0021 0.0023 0.0008 -0.0127 -0.0005 0.0017 0.0010 -0.0032 -0.0004 0.0085 -0.0001 -0.0064 0.0003 0.0011 0.0090 -0.0022 0.0004 -0.0036 0.0003 0.0004 76. (0.98668) BD ( 1) C 11- C 15 ( 49.73%) 0.7052* C 11 s( 32.49%)p 2.07( 67.30%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5700 0.0000 0.0010 0.0001 0.0003 0.0000 0.3545 0.0232 0.0063 0.0012 0.1575 -0.0164 -0.0084 0.0009 -0.7216 0.0314 -0.0016 -0.0026 -0.0103 0.0050 0.0004 -0.0259 -0.0092 -0.0003 0.0070 -0.0032 -0.0003 0.0187 0.0033 -0.0024 0.0069 0.0106 0.0005 -0.0065 0.0000 0.0167 0.0020 0.0045 -0.0001 -0.0078 -0.0014 0.0036 -0.0008 0.0052 0.0000 0.0015 0.0005 -0.0015 -0.0105 0.0001 0.0046 0.0021 0.0026 -0.0006 0.0016 -0.0011 ( 50.27%) 0.7090* C 15 s( 32.75%)p 2.05( 67.05%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5723 0.0008 0.0010 0.0000 -0.0002 0.0000 -0.4977 0.0364 0.0023 -0.0017 0.1415 -0.0145 -0.0080 0.0008 0.6333 0.0068 0.0035 0.0028 0.0037 -0.0004 -0.0001 -0.0123 -0.0116 -0.0016 -0.0141 0.0051 0.0005 0.0065 0.0053 -0.0008 0.0288 0.0054 -0.0012 0.0044 0.0008 -0.0147 -0.0023 -0.0017 0.0007 0.0116 0.0003 0.0012 -0.0001 -0.0011 -0.0004 0.0060 -0.0003 -0.0053 -0.0066 -0.0004 0.0083 -0.0018 0.0013 0.0001 0.0007 0.0006 77. (0.99093) BD ( 1) C 11- H 25 ( 63.17%) 0.7948* C 11 s( 32.30%)p 2.09( 67.60%)d 0.00( 0.03%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5683 0.0054 -0.0012 -0.0001 -0.0003 -0.0001 -0.8159 -0.0099 -0.0073 0.0047 0.0768 -0.0029 -0.0019 -0.0002 0.0648 0.0003 0.0004 -0.0003 0.0042 -0.0014 0.0000 -0.0003 -0.0019 -0.0001 -0.0011 0.0000 0.0003 0.0104 0.0122 -0.0014 -0.0001 -0.0068 -0.0014 -0.0022 -0.0003 0.0116 0.0016 -0.0004 0.0001 0.0038 0.0003 -0.0004 -0.0001 -0.0186 -0.0014 0.0085 0.0000 0.0065 0.0025 -0.0009 -0.0055 0.0007 -0.0011 0.0005 0.0044 -0.0008 ( 36.83%) 0.6069* H 25 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0023 0.0002 0.0002 -0.0295 0.0092 -0.0007 0.0022 -0.0005 0.0000 0.0021 -0.0007 0.0000 -0.0025 -0.0006 -0.0018 -0.0004 0.0005 0.0000 0.0097 0.0026 -0.0073 -0.0013 0.0009 -0.0048 0.0002 -0.0012 0.0000 0.0070 -0.0009 78. (0.98667) BD ( 1) C 12- C 13 ( 49.90%) 0.7064* C 12 s( 31.51%)p 2.17( 68.28%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5613 0.0042 0.0010 -0.0001 -0.0003 0.0000 0.7872 -0.0265 -0.0012 0.0024 0.1698 -0.0035 -0.0093 0.0010 -0.1810 -0.0265 -0.0059 -0.0008 -0.0109 0.0033 0.0007 -0.0252 -0.0052 0.0004 0.0035 -0.0035 0.0004 0.0209 0.0112 -0.0002 0.0075 -0.0069 -0.0020 0.0072 0.0016 -0.0033 -0.0002 0.0048 0.0000 -0.0103 -0.0014 0.0057 -0.0008 0.0146 0.0013 0.0016 0.0003 0.0038 0.0087 -0.0009 -0.0017 -0.0029 -0.0054 -0.0003 0.0030 0.0003 ( 50.10%) 0.7078* C 13 s( 30.93%)p 2.23( 68.86%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5561 0.0045 0.0012 0.0002 -0.0001 0.0000 -0.6881 0.0002 -0.0040 -0.0022 0.2138 -0.0052 -0.0080 0.0014 0.4097 -0.0378 -0.0040 0.0018 0.0065 -0.0061 -0.0002 -0.0035 -0.0112 -0.0014 -0.0042 0.0011 0.0006 0.0333 0.0068 -0.0014 -0.0117 -0.0020 -0.0003 -0.0065 -0.0007 0.0023 0.0010 0.0083 -0.0006 0.0117 0.0016 0.0009 -0.0003 -0.0126 -0.0011 0.0027 0.0010 -0.0026 0.0091 -0.0025 0.0032 -0.0015 -0.0039 0.0019 0.0025 -0.0004 79. (0.99073) BD ( 1) C 12- H 26 ( 62.78%) 0.7923* C 12 s( 30.95%)p 2.23( 68.95%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5563 0.0035 -0.0012 0.0002 0.0003 0.0000 -0.2010 -0.0029 -0.0017 0.0012 -0.0501 -0.0056 -0.0037 0.0006 0.8040 0.0093 0.0079 -0.0041 0.0020 0.0003 0.0003 -0.0026 -0.0060 -0.0002 -0.0108 -0.0017 0.0004 0.0039 0.0010 -0.0018 0.0058 0.0139 -0.0006 0.0192 0.0017 -0.0111 -0.0013 -0.0008 -0.0007 0.0056 -0.0002 -0.0003 0.0004 -0.0011 0.0002 0.0016 0.0001 0.0058 -0.0079 -0.0014 -0.0014 0.0016 0.0020 -0.0006 0.0014 -0.0005 ( 37.22%) 0.6101* H 26 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0024 0.0002 0.0001 -0.0087 0.0010 -0.0005 -0.0031 0.0006 -0.0002 0.0298 -0.0047 0.0008 0.0005 0.0000 -0.0054 -0.0011 -0.0007 -0.0003 -0.0004 0.0003 0.0119 0.0026 -0.0068 0.0047 0.0023 -0.0012 -0.0009 0.0001 0.0001 80. (0.98276) BD ( 1) C 13- C 14 ( 50.03%) 0.7073* C 13 s( 28.96%)p 2.45( 70.82%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5381 0.0064 0.0015 0.0001 -0.0001 0.0000 0.0669 -0.0324 -0.0055 0.0003 0.3098 -0.0058 -0.0083 0.0016 -0.7786 0.0181 -0.0029 -0.0025 -0.0033 -0.0013 0.0005 0.0180 -0.0027 -0.0013 0.0037 -0.0070 -0.0005 0.0136 -0.0032 -0.0013 0.0302 0.0109 0.0003 -0.0174 -0.0020 -0.0031 -0.0007 0.0030 0.0014 -0.0018 0.0003 -0.0026 0.0006 -0.0004 0.0006 0.0088 -0.0001 0.0090 -0.0005 -0.0034 -0.0053 0.0012 0.0012 0.0027 0.0027 -0.0012 ( 49.97%) 0.7069* C 14 s( 29.00%)p 2.44( 70.78%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5384 0.0067 0.0017 0.0000 -0.0001 0.0000 0.1810 -0.0347 -0.0057 0.0005 0.1803 -0.0036 -0.0089 0.0010 0.8007 -0.0145 0.0018 0.0028 -0.0020 -0.0013 0.0004 -0.0124 0.0055 0.0016 -0.0147 0.0041 0.0006 0.0099 -0.0015 -0.0009 0.0311 0.0122 0.0002 0.0172 0.0025 0.0031 0.0001 -0.0053 0.0006 0.0034 -0.0003 0.0007 -0.0004 0.0004 0.0005 0.0085 -0.0001 0.0082 0.0065 -0.0003 -0.0036 0.0016 -0.0027 -0.0011 0.0019 -0.0012 81. (0.99109) BD ( 1) C 13- H 27 ( 62.32%) 0.7894* C 13 s( 31.11%)p 2.21( 68.79%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5578 0.0046 -0.0015 -0.0002 -0.0001 0.0000 0.7043 0.0090 0.0060 -0.0038 -0.0223 -0.0081 -0.0034 0.0006 0.4371 0.0023 0.0047 -0.0024 -0.0073 -0.0009 0.0003 0.0031 0.0123 0.0003 -0.0048 -0.0004 0.0003 0.0070 0.0093 -0.0013 0.0005 -0.0010 -0.0011 -0.0076 -0.0011 0.0050 0.0005 0.0022 -0.0001 0.0167 0.0017 -0.0007 -0.0004 0.0130 0.0008 0.0019 -0.0003 -0.0037 -0.0061 0.0000 0.0046 -0.0001 0.0042 -0.0009 0.0018 -0.0008 ( 37.68%) 0.6138* H 27 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0030 0.0000 0.0002 0.0267 -0.0034 0.0014 -0.0031 -0.0013 -0.0003 0.0140 -0.0036 0.0003 -0.0001 0.0000 0.0100 0.0023 0.0000 0.0000 0.0073 0.0020 -0.0015 0.0000 0.0034 -0.0016 0.0001 -0.0063 0.0013 -0.0044 0.0011 82. (0.98663) BD ( 1) C 14- C 15 ( 50.09%) 0.7078* C 14 s( 31.17%)p 2.20( 68.63%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5582 0.0040 0.0012 0.0002 -0.0002 0.0000 -0.7382 0.0058 -0.0033 -0.0028 0.2618 -0.0113 -0.0088 0.0015 -0.2669 0.0364 0.0033 -0.0013 0.0074 -0.0075 -0.0005 -0.0032 0.0081 0.0014 0.0009 -0.0003 -0.0001 0.0334 0.0088 -0.0012 -0.0111 -0.0049 -0.0007 0.0080 0.0001 0.0070 0.0015 0.0072 -0.0004 -0.0055 -0.0011 0.0020 -0.0002 -0.0140 -0.0013 0.0044 0.0012 0.0030 -0.0094 0.0018 -0.0007 0.0020 0.0036 -0.0025 0.0028 -0.0018 ( 49.91%) 0.7065* C 15 s( 31.62%)p 2.16( 68.17%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5623 0.0034 0.0011 0.0000 -0.0003 0.0000 0.8069 -0.0221 -0.0002 0.0026 0.1417 -0.0084 -0.0099 0.0008 0.0948 0.0292 0.0044 0.0006 -0.0151 0.0030 0.0007 0.0210 0.0025 -0.0007 -0.0063 0.0031 0.0001 0.0229 0.0125 -0.0003 0.0002 -0.0067 -0.0019 -0.0029 -0.0014 -0.0087 -0.0008 0.0056 0.0001 0.0077 0.0011 -0.0058 0.0006 0.0150 0.0016 -0.0012 0.0001 0.0075 -0.0059 -0.0002 -0.0050 -0.0014 0.0031 0.0000 0.0039 -0.0007 83. (0.99072) BD ( 1) C 14- H 29 ( 62.49%) 0.7905* C 14 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5595 0.0041 -0.0015 -0.0002 0.0000 0.0000 0.6334 0.0083 0.0065 -0.0032 0.0510 -0.0070 -0.0033 0.0000 -0.5309 -0.0046 -0.0073 0.0030 -0.0061 0.0008 0.0004 -0.0049 -0.0133 -0.0002 0.0045 -0.0009 0.0002 0.0061 0.0081 -0.0015 0.0025 0.0025 -0.0011 0.0059 0.0008 0.0108 0.0013 0.0040 -0.0002 -0.0157 -0.0016 -0.0036 0.0002 0.0099 0.0006 0.0047 0.0000 -0.0055 0.0020 0.0005 0.0070 -0.0004 -0.0031 -0.0011 0.0010 0.0001 ( 37.51%) 0.6124* H 29 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0025 -0.0001 0.0002 0.0235 -0.0022 0.0012 0.0007 -0.0007 -0.0001 -0.0183 0.0031 -0.0006 0.0015 0.0002 -0.0114 -0.0026 -0.0008 -0.0003 0.0062 0.0018 0.0011 0.0006 -0.0023 -0.0044 -0.0002 0.0065 0.0001 -0.0034 -0.0001 84. (0.99086) BD ( 1) C 15- H 28 ( 62.79%) 0.7924* C 15 s( 31.01%)p 2.22( 68.88%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5569 0.0037 -0.0013 0.0001 0.0003 -0.0001 -0.3116 -0.0044 -0.0028 0.0018 0.0769 -0.0042 -0.0026 -0.0001 -0.7652 -0.0100 -0.0081 0.0040 0.0026 -0.0009 0.0002 0.0039 0.0090 0.0003 0.0076 -0.0022 0.0000 0.0056 0.0023 -0.0018 0.0075 0.0121 -0.0007 -0.0133 -0.0013 -0.0149 -0.0019 0.0069 0.0000 -0.0069 -0.0003 0.0042 -0.0001 -0.0017 0.0001 0.0032 0.0001 0.0017 0.0098 -0.0008 0.0021 -0.0010 -0.0021 0.0003 0.0011 0.0001 ( 37.21%) 0.6100* H 28 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0025 0.0001 0.0001 -0.0127 0.0018 -0.0006 0.0012 -0.0005 0.0000 -0.0282 0.0050 -0.0008 -0.0006 -0.0002 0.0080 0.0016 -0.0023 -0.0005 0.0003 0.0005 0.0098 0.0023 0.0052 0.0065 -0.0007 0.0026 -0.0004 0.0006 -0.0002 85. (0.91554) 3C ( 1)Tc 1- C 12- C 13 ( 24.41%) 0.4940*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 0.3991 0.0093 -0.0125 0.0035 -0.0017 -0.0002 0.0000 -0.0011 0.0053 -0.0020 0.0034 0.0000 0.0103 0.0237 -0.0042 0.0005 0.0000 0.0121 -0.0007 -0.0057 0.0034 0.4065 -0.0103 -0.0056 -0.0052 0.1896 -0.0003 0.0001 -0.0006 0.7138 0.0107 0.0037 -0.0059 -0.0565 -0.0124 -0.0084 0.0065 -0.3505 0.0172 -0.0026 0.0072 -0.0040 -0.0094 -0.0032 -0.0006 0.0149 -0.0050 0.0026 -0.0008 -0.0211 0.0004 0.0038 -0.0016 -0.0093 -0.0089 -0.0029 -0.0003 -0.0037 -0.0035 0.0033 -0.0002 -0.0069 -0.0104 -0.0031 0.0010 -0.0233 -0.0070 0.0031 -0.0012 0.0011 -0.0015 0.0012 -0.0008 0.0007 -0.0011 0.0007 -0.0004 0.0036 -0.0012 -0.0055 0.0002 -0.0024 -0.0010 -0.0016 -0.0006 -0.0053 -0.0009 ( 31.80%) 0.5639* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2139 -0.0259 0.0001 -0.0008 0.0000 0.0000 0.0048 0.0059 0.0044 0.0027 -0.9519 -0.0162 0.0063 -0.0001 -0.2052 -0.0309 0.0029 -0.0021 -0.0150 -0.0129 -0.0002 -0.0040 0.0000 -0.0012 0.0479 -0.0022 0.0001 -0.0132 0.0029 -0.0007 0.0008 0.0032 -0.0012 0.0056 -0.0004 -0.0068 -0.0004 -0.0231 0.0003 -0.0015 -0.0019 0.0094 0.0009 -0.0023 -0.0002 -0.0132 -0.0026 -0.0030 0.0038 -0.0068 0.0011 0.0064 0.0024 0.0051 0.0022 -0.0027 ( 43.79%) 0.6618* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 86. (0.91473) 3C ( 1)Tc 1- C 14- C 15 ( 24.63%) 0.4963*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 0.3891 0.0113 -0.0114 0.0030 -0.0012 -0.0002 0.0000 -0.0020 0.0051 -0.0018 0.0027 0.0000 0.0108 0.0230 -0.0051 0.0010 0.0000 -0.0121 0.0044 0.0056 -0.0028 0.3871 -0.0106 -0.0052 -0.0049 -0.1674 -0.0023 -0.0033 0.0004 -0.6438 -0.0086 -0.0017 0.0033 -0.1588 -0.0146 -0.0075 0.0073 -0.4765 0.0131 -0.0034 0.0081 -0.0048 0.0092 0.0035 0.0003 0.0151 -0.0030 0.0024 -0.0007 -0.0221 -0.0063 0.0017 -0.0017 0.0012 0.0079 0.0052 -0.0005 0.0037 0.0085 -0.0037 -0.0001 -0.0065 -0.0074 -0.0037 0.0010 -0.0250 -0.0080 0.0021 -0.0011 0.0003 -0.0009 -0.0005 -0.0002 -0.0020 0.0018 0.0005 0.0005 0.0012 -0.0011 0.0063 -0.0008 0.0033 0.0012 -0.0007 -0.0004 -0.0061 -0.0006 ( 43.95%) 0.6629* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2868 -0.0231 -0.0018 0.0005 0.0007 0.0000 -0.1348 -0.0330 0.0011 -0.0022 -0.9439 -0.0088 0.0080 0.0014 0.0495 0.0239 -0.0032 0.0001 0.0409 0.0070 -0.0001 -0.0039 0.0009 0.0007 -0.0274 0.0075 0.0011 -0.0075 0.0019 -0.0001 -0.0110 0.0030 -0.0011 0.0004 0.0017 0.0079 0.0005 -0.0111 0.0002 -0.0133 -0.0001 0.0133 -0.0011 0.0049 -0.0015 -0.0192 -0.0016 0.0021 -0.0014 -0.0060 -0.0008 -0.0064 0.0021 0.0075 0.0031 -0.0006 ( 31.42%) 0.5605* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2079 -0.0251 -0.0003 -0.0007 0.0000 0.0000 0.0201 0.0096 0.0040 0.0029 -0.9739 -0.0219 0.0069 -0.0003 0.0443 0.0266 -0.0024 0.0016 -0.0213 -0.0129 -0.0004 0.0017 -0.0018 0.0010 -0.0414 0.0027 0.0003 -0.0199 0.0031 -0.0004 -0.0123 0.0040 -0.0015 -0.0104 0.0006 -0.0110 -0.0007 -0.0172 -0.0002 -0.0080 0.0012 -0.0084 -0.0002 -0.0045 0.0000 -0.0141 -0.0031 0.0013 -0.0014 0.0040 0.0014 0.0108 -0.0004 -0.0029 0.0008 -0.0032 ---------------- non-Lewis ---------------------------------------------------- 87. (0.32601) LV ( 1)Tc 1 s( 58.30%)p 0.00( 0.03%)d 0.71( 41.42%) f 0.00( 0.21%)g 0.00( 0.04%) 0.0000 0.7630 0.0273 -0.0069 0.0002 -0.0024 -0.0001 0.0000 -0.0148 -0.0005 0.0040 0.0057 0.0000 0.0031 -0.0017 -0.0043 0.0026 0.0000 0.0007 -0.0006 -0.0001 0.0001 -0.1087 -0.0003 -0.0029 -0.0029 0.0171 0.0008 0.0015 0.0000 -0.0646 0.0014 -0.0007 -0.0010 -0.0320 0.0007 -0.0070 0.0036 0.6296 -0.0177 0.0019 0.0047 -0.0026 -0.0046 0.0010 -0.0002 -0.0092 -0.0250 0.0020 -0.0007 -0.0229 -0.0213 0.0027 -0.0015 -0.0044 -0.0037 0.0005 -0.0004 0.0008 0.0016 0.0007 -0.0001 -0.0046 -0.0016 -0.0020 0.0005 -0.0154 -0.0083 0.0004 -0.0015 0.0028 -0.0003 0.0032 -0.0003 0.0014 0.0000 -0.0124 0.0006 0.0149 -0.0012 0.0013 -0.0002 0.0022 0.0000 -0.0039 -0.0004 -0.0031 0.0000 88. (0.22062) BD*( 1)Tc 1- P 10 ( 58.64%) 0.7658*Tc 1 s( 9.70%)p 0.01( 0.07%)d 9.29( 90.04%) f 0.02( 0.17%)g 0.00( 0.03%) 0.0000 -0.3113 0.0036 -0.0021 -0.0034 -0.0017 -0.0001 0.0000 -0.0158 -0.0176 -0.0022 0.0003 0.0000 0.0044 0.0122 -0.0012 -0.0009 0.0000 0.0018 0.0007 -0.0005 -0.0001 0.7844 0.0339 0.0120 -0.0024 0.0707 0.0023 0.0001 -0.0002 -0.0606 0.0000 0.0002 -0.0001 -0.1717 0.0167 -0.0026 0.0025 0.4953 0.0009 0.0068 -0.0013 -0.0033 -0.0015 -0.0002 0.0000 -0.0185 0.0027 0.0025 0.0001 -0.0089 -0.0129 0.0005 0.0001 0.0017 -0.0003 0.0003 0.0000 0.0057 -0.0002 -0.0004 0.0001 -0.0160 -0.0016 0.0025 -0.0007 0.0200 0.0191 0.0007 0.0002 -0.0088 0.0008 -0.0008 0.0003 0.0017 -0.0002 0.0015 -0.0008 -0.0048 0.0012 -0.0003 0.0001 -0.0014 0.0004 0.0119 -0.0015 0.0015 -0.0009 ( 41.36%) -0.6431* P 10 s( 35.78%)p 1.79( 63.88%)d 0.01( 0.26%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.0000 -0.5971 0.0347 -0.0037 -0.0002 0.0000 0.0000 0.0000 0.0000 0.6814 0.0324 -0.0005 -0.0022 -0.0001 0.0000 -0.4147 -0.0349 -0.0008 0.0007 -0.0001 0.0000 -0.0150 -0.0023 0.0001 0.0000 -0.0001 -0.0219 0.0355 -0.0033 0.0007 -0.0002 -0.0034 -0.0003 0.0001 0.0002 -0.0003 0.0000 0.0001 0.0133 0.0118 0.0015 -0.0002 -0.0158 0.0174 -0.0023 0.0004 -0.0055 -0.0005 -0.0106 -0.0045 0.0072 0.0033 -0.0027 -0.0006 0.0064 0.0012 -0.0055 -0.0016 -0.0168 -0.0074 -0.0038 -0.0013 0.0007 0.0022 -0.0055 -0.0001 0.0001 0.0053 0.0059 89. (0.05860) BD*( 1) S 2- S 3 ( 53.41%) 0.7308* S 2 s( 12.43%)p 6.95( 86.43%)d 0.08( 1.05%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 0.3510 0.0335 -0.0041 0.0007 0.0000 0.0000 0.0000 0.0000 -0.8692 -0.0453 0.0051 -0.0019 0.0000 0.0000 0.2742 -0.0109 -0.0030 0.0005 0.0000 0.0000 0.1757 -0.0230 -0.0034 0.0005 0.0000 -0.0430 0.0050 0.0001 0.0001 -0.0402 0.0159 -0.0004 0.0001 0.0138 -0.0086 -0.0004 0.0000 0.0699 0.0148 0.0001 0.0000 -0.0348 -0.0138 0.0003 -0.0002 -0.0029 -0.0013 0.0108 0.0029 -0.0008 -0.0012 0.0031 0.0022 -0.0072 0.0010 -0.0198 -0.0015 0.0126 0.0014 0.0033 0.0013 0.0002 -0.0048 0.0004 -0.0018 0.0000 0.0043 -0.0046 ( 46.59%) -0.6826* S 3 s( 11.76%)p 7.38( 86.81%)d 0.11( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3420 0.0245 -0.0048 0.0002 0.0003 0.0000 0.0000 0.0000 0.8963 0.0237 -0.0057 -0.0019 0.0000 0.0000 -0.2379 -0.0028 -0.0007 0.0010 0.0000 0.0000 -0.0813 -0.0312 -0.0059 0.0004 -0.0001 -0.0428 -0.0024 0.0027 -0.0001 0.0024 -0.0099 0.0012 0.0000 0.0005 0.0047 -0.0002 0.0001 0.0888 -0.0037 -0.0015 0.0003 -0.0566 -0.0001 0.0017 -0.0001 0.0047 0.0003 -0.0150 -0.0007 0.0036 0.0005 -0.0087 0.0003 -0.0015 0.0000 0.0229 -0.0009 -0.0141 -0.0002 0.0033 0.0030 -0.0004 -0.0047 0.0011 -0.0025 0.0019 0.0053 -0.0054 90. (0.06933) BD*( 1) S 3- S 4 ( 50.03%) 0.7073* S 3 s( 11.52%)p 7.56( 87.13%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3371 0.0402 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1911 -0.0409 -0.0038 0.0000 -0.0001 0.0000 -0.5204 -0.0191 0.0011 -0.0006 0.0001 0.0000 0.7491 0.0271 -0.0021 0.0011 -0.0001 0.0150 0.0072 -0.0001 0.0001 -0.0209 -0.0094 -0.0004 0.0001 -0.0842 -0.0027 0.0011 -0.0002 -0.0250 -0.0041 0.0010 -0.0001 0.0617 -0.0007 0.0005 0.0000 -0.0010 0.0014 -0.0100 -0.0002 -0.0252 0.0001 -0.0064 -0.0009 0.0139 -0.0004 0.0018 0.0000 -0.0032 0.0013 -0.0024 -0.0034 -0.0045 -0.0035 0.0056 0.0046 -0.0003 -0.0019 -0.0013 ( 49.97%) -0.7069* S 4 s( 11.02%)p 7.94( 87.55%)d 0.12( 1.31%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3302 0.0350 -0.0005 0.0002 0.0001 0.0000 0.0000 0.0000 0.3056 -0.0033 -0.0042 0.0005 -0.0001 0.0000 0.5936 0.0085 -0.0034 0.0000 -0.0001 0.0000 -0.6538 -0.0479 -0.0015 -0.0001 0.0000 0.0475 -0.0056 -0.0003 0.0001 -0.0507 -0.0012 0.0000 0.0000 -0.0850 -0.0040 0.0015 -0.0003 -0.0224 -0.0012 0.0013 -0.0001 0.0211 0.0034 0.0004 0.0000 -0.0045 0.0008 0.0091 0.0004 0.0219 -0.0010 0.0100 0.0000 -0.0174 -0.0004 -0.0097 0.0004 0.0018 -0.0005 -0.0039 -0.0029 -0.0050 -0.0041 0.0055 0.0041 0.0002 -0.0009 -0.0011 91. (0.06966) BD*( 1) S 4- S 5 ( 50.01%) 0.7072* S 4 s( 10.92%)p 8.03( 87.66%)d 0.12( 1.30%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3286 -0.0347 0.0005 -0.0002 -0.0001 0.0000 0.0000 0.0000 -0.3269 0.0019 0.0042 -0.0005 0.0001 0.0000 -0.4733 -0.0002 0.0037 0.0000 0.0001 0.0000 -0.7371 -0.0488 -0.0009 -0.0002 0.0000 -0.0401 0.0055 0.0003 -0.0001 -0.0606 -0.0005 0.0001 -0.0001 -0.0763 -0.0032 0.0017 -0.0003 0.0065 0.0006 -0.0010 0.0001 -0.0424 -0.0046 0.0001 -0.0001 -0.0125 0.0012 -0.0148 -0.0004 -0.0190 0.0005 0.0026 0.0004 -0.0167 -0.0002 0.0062 -0.0005 -0.0038 0.0005 0.0008 -0.0049 -0.0070 0.0011 -0.0055 0.0025 -0.0013 0.0009 0.0002 ( 49.99%) -0.7070* S 5 s( 11.44%)p 7.62( 87.22%)d 0.11( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3359 -0.0397 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0000 0.2199 0.0418 0.0040 0.0001 0.0001 0.0000 0.3810 0.0141 -0.0007 0.0003 -0.0001 0.0000 0.8221 0.0283 -0.0023 0.0012 -0.0001 -0.0128 -0.0056 0.0002 -0.0002 -0.0283 -0.0104 -0.0004 0.0001 -0.0647 -0.0033 0.0014 -0.0002 0.0112 0.0032 -0.0009 0.0001 -0.0831 0.0003 -0.0001 -0.0001 0.0086 0.0013 0.0138 0.0003 0.0233 -0.0003 0.0019 -0.0012 0.0117 -0.0004 0.0010 -0.0001 0.0043 -0.0011 0.0000 -0.0056 -0.0056 0.0006 -0.0054 0.0030 -0.0018 0.0018 0.0003 92. (0.05684) BD*( 1) S 5- S 6 ( 46.73%) 0.6836* S 5 s( 11.93%)p 7.26( 86.63%)d 0.11( 1.32%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3444 -0.0258 0.0043 -0.0002 -0.0003 0.0000 0.0000 0.0000 -0.8984 -0.0261 0.0051 0.0019 -0.0001 0.0000 0.2397 0.0075 0.0016 -0.0010 0.0000 0.0000 -0.0030 -0.0296 -0.0062 0.0001 -0.0001 0.0407 0.0039 -0.0029 0.0001 0.0177 -0.0092 0.0005 0.0001 -0.0031 0.0036 0.0002 0.0001 -0.0894 0.0038 0.0016 -0.0003 0.0556 0.0023 -0.0017 0.0001 0.0017 -0.0001 0.0152 0.0007 -0.0030 -0.0007 -0.0041 0.0002 -0.0019 -0.0004 -0.0239 0.0009 0.0152 0.0001 -0.0037 0.0016 -0.0002 0.0054 -0.0015 -0.0009 0.0010 -0.0052 0.0058 ( 53.27%) -0.7298* S 6 s( 12.61%)p 6.84( 86.27%)d 0.08( 1.04%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.0000 -0.3532 -0.0360 0.0042 -0.0007 0.0000 0.0000 0.0000 0.0000 0.8756 0.0441 -0.0044 0.0021 0.0000 0.0000 -0.2909 0.0145 0.0032 -0.0006 0.0000 0.0000 0.0936 -0.0221 -0.0033 0.0003 0.0000 0.0476 -0.0072 -0.0002 0.0000 -0.0267 0.0167 -0.0006 0.0001 0.0125 -0.0093 -0.0002 0.0000 -0.0696 -0.0155 -0.0001 0.0000 0.0406 0.0106 -0.0005 0.0002 -0.0007 -0.0006 -0.0134 -0.0028 0.0018 0.0009 -0.0013 0.0020 -0.0066 0.0013 0.0189 0.0020 -0.0130 -0.0019 -0.0033 0.0004 0.0002 0.0049 -0.0003 -0.0001 -0.0008 -0.0045 0.0047 93. (0.03391) BD*( 1) C 7- P 10 ( 37.84%) 0.6151* C 7 s( 27.01%)p 2.69( 72.63%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5194 0.0191 0.0032 0.0002 0.0000 -0.0001 0.3502 0.0085 0.0037 0.0000 -0.1813 -0.0054 -0.0024 0.0001 0.7552 0.0142 0.0071 0.0005 0.0076 0.0007 -0.0005 -0.0344 -0.0003 0.0006 0.0185 -0.0002 -0.0002 -0.0054 -0.0002 0.0002 -0.0360 0.0000 0.0004 0.0082 -0.0009 0.0118 -0.0024 -0.0063 0.0013 0.0079 0.0000 -0.0111 -0.0002 -0.0008 -0.0003 0.0106 0.0020 -0.0021 -0.0084 0.0043 -0.0046 0.0064 -0.0003 0.0009 -0.0004 -0.0009 ( 62.16%) -0.7884* P 10 s( 21.40%)p 3.64( 77.80%)d 0.04( 0.78%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4619 -0.0245 0.0013 0.0001 -0.0002 0.0000 0.0000 0.0000 -0.3201 0.0029 0.0010 -0.0002 -0.0002 0.0000 0.1648 0.0030 0.0002 -0.0002 0.0001 0.0000 -0.8047 0.0285 -0.0002 -0.0025 0.0001 -0.0164 -0.0049 0.0010 0.0001 0.0585 0.0006 -0.0042 -0.0001 -0.0306 -0.0005 0.0021 0.0002 0.0109 -0.0011 -0.0004 -0.0001 0.0539 -0.0072 -0.0041 -0.0003 0.0002 -0.0026 0.0047 -0.0041 -0.0031 0.0021 -0.0026 -0.0021 0.0054 0.0028 -0.0004 0.0004 -0.0084 -0.0010 -0.0019 -0.0040 0.0023 -0.0019 0.0029 -0.0003 -0.0009 -0.0015 -0.0022 94. (0.00497) BD*( 1) C 7- H 16 ( 38.78%) 0.6227* C 7 s( 24.61%)p 3.06( 75.21%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4960 -0.0086 -0.0006 -0.0003 -0.0001 0.0000 -0.7621 0.0063 0.0020 -0.0002 0.3992 -0.0031 -0.0010 0.0001 0.1087 0.0108 0.0018 0.0001 0.0236 0.0030 0.0003 0.0178 -0.0024 0.0000 -0.0099 0.0019 -0.0001 -0.0161 -0.0022 -0.0002 0.0065 0.0064 0.0006 0.0114 -0.0007 0.0040 0.0008 -0.0016 -0.0004 0.0051 0.0014 -0.0073 -0.0020 -0.0009 0.0001 0.0063 -0.0002 -0.0039 -0.0012 0.0007 0.0041 -0.0058 0.0007 -0.0055 0.0036 0.0094 ( 61.22%) -0.7825* H 16 s( 99.85%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0026 0.0000 0.0000 -0.0303 0.0027 -0.0025 0.0158 -0.0018 0.0014 0.0105 0.0033 0.0006 0.0065 0.0023 0.0008 0.0004 -0.0004 -0.0002 -0.0044 -0.0016 0.0035 0.0017 0.0006 -0.0051 0.0027 -0.0013 0.0019 0.0009 -0.0073 95. (0.00254) BD*( 1) C 7- H 17 ( 38.53%) 0.6208* C 7 s( 23.94%)p 3.17( 75.87%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4892 -0.0086 -0.0011 0.0001 0.0001 0.0000 -0.1301 0.0047 -0.0003 -0.0002 -0.7333 -0.0004 0.0021 0.0001 -0.4515 0.0127 0.0018 0.0001 -0.0018 -0.0026 -0.0004 -0.0023 -0.0009 0.0005 -0.0160 -0.0072 -0.0005 0.0303 -0.0005 0.0001 0.0122 -0.0027 0.0004 0.0022 0.0013 0.0079 0.0017 -0.0048 0.0011 0.0001 0.0006 -0.0100 0.0004 -0.0034 -0.0003 0.0076 0.0009 0.0041 0.0037 0.0043 0.0045 -0.0025 0.0051 0.0073 -0.0057 0.0025 ( 61.47%) -0.7840* H 17 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0009 -0.0002 0.0000 -0.0071 -0.0005 -0.0008 -0.0309 0.0016 -0.0026 -0.0133 0.0037 -0.0013 -0.0023 -0.0009 -0.0012 -0.0005 -0.0061 -0.0027 0.0054 0.0019 -0.0006 0.0003 -0.0041 -0.0002 0.0022 -0.0064 0.0028 -0.0019 -0.0040 96. (0.00300) BD*( 1) C 7- H 18 ( 37.81%) 0.6149* C 7 s( 24.29%)p 3.11( 75.52%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4928 -0.0089 -0.0012 0.0000 0.0000 0.0000 0.5265 0.0035 -0.0014 -0.0001 0.5176 -0.0037 -0.0017 -0.0001 -0.4582 0.0111 0.0032 0.0003 -0.0284 -0.0005 -0.0002 0.0125 0.0056 0.0004 0.0122 0.0043 0.0000 -0.0095 0.0031 0.0002 0.0114 -0.0024 0.0003 0.0025 0.0014 0.0085 0.0000 -0.0038 -0.0019 0.0097 -0.0006 -0.0045 -0.0004 0.0018 -0.0001 0.0085 0.0010 0.0044 -0.0014 -0.0053 0.0007 -0.0053 -0.0067 0.0061 0.0058 -0.0020 ( 62.19%) -0.7886* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0015 -0.0001 -0.0001 0.0210 -0.0009 0.0013 0.0228 -0.0012 0.0021 -0.0141 0.0040 -0.0011 -0.0056 -0.0019 0.0039 0.0019 0.0047 0.0019 -0.0001 0.0001 -0.0007 0.0002 -0.0041 -0.0022 -0.0012 -0.0004 0.0071 0.0029 -0.0034 97. (0.03095) BD*( 1) C 8- P 10 ( 38.26%) 0.6185* C 8 s( 26.93%)p 2.70( 72.70%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5186 0.0180 0.0032 0.0002 -0.0001 0.0000 -0.0412 0.0010 -0.0010 -0.0003 -0.7722 -0.0149 -0.0086 -0.0002 -0.3588 -0.0062 -0.0038 -0.0001 -0.0044 0.0006 -0.0003 -0.0022 0.0005 -0.0001 -0.0353 -0.0008 0.0007 0.0390 0.0001 -0.0005 0.0122 0.0006 -0.0004 0.0143 -0.0001 0.0066 0.0010 -0.0033 -0.0009 0.0047 -0.0031 -0.0039 -0.0003 -0.0008 -0.0007 0.0156 -0.0010 0.0032 0.0014 0.0067 0.0012 0.0007 0.0018 0.0068 -0.0072 0.0010 ( 61.74%) -0.7857* P 10 s( 21.55%)p 3.60( 77.65%)d 0.04( 0.77%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4635 -0.0257 0.0004 0.0003 0.0001 0.0000 0.0000 0.0000 0.0822 -0.0109 0.0014 0.0011 -0.0002 0.0000 0.7855 -0.0183 0.0007 0.0028 0.0000 0.0000 0.3901 -0.0129 0.0000 0.0012 -0.0001 -0.0013 -0.0056 -0.0006 -0.0001 -0.0004 0.0008 -0.0001 -0.0001 0.0573 0.0020 -0.0045 -0.0006 -0.0630 0.0004 0.0044 0.0005 -0.0197 -0.0022 0.0017 0.0001 -0.0035 -0.0034 -0.0060 -0.0008 0.0019 0.0003 0.0052 -0.0031 0.0036 0.0005 0.0052 0.0004 -0.0016 -0.0041 0.0025 0.0011 0.0020 0.0005 0.0012 0.0028 0.0031 -0.0040 0.0009 98. (0.00434) BD*( 1) C 8- H 19 ( 38.84%) 0.6232* C 8 s( 24.65%)p 3.05( 75.17%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4964 -0.0074 -0.0007 -0.0002 0.0000 0.0000 -0.7507 0.0003 0.0010 -0.0003 0.4210 -0.0129 -0.0033 0.0003 -0.1034 -0.0047 -0.0014 -0.0001 0.0145 0.0070 0.0005 -0.0158 0.0024 0.0003 0.0000 0.0023 0.0003 -0.0242 0.0003 -0.0003 0.0169 0.0013 0.0003 0.0120 0.0015 0.0033 0.0000 -0.0024 0.0007 0.0020 0.0003 -0.0077 0.0006 0.0020 -0.0019 0.0060 0.0012 -0.0045 0.0046 -0.0034 0.0035 -0.0060 -0.0011 0.0010 0.0051 0.0086 ( 61.16%) -0.7820* H 19 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0023 0.0001 0.0000 -0.0321 0.0011 -0.0028 0.0112 -0.0044 0.0013 -0.0064 -0.0014 -0.0002 0.0064 0.0025 -0.0014 -0.0004 0.0001 0.0004 -0.0028 -0.0012 0.0045 0.0015 -0.0022 -0.0046 0.0027 0.0005 -0.0013 -0.0004 -0.0076 99. (0.00250) BD*( 1) C 8- H 20 ( 37.69%) 0.6139* C 8 s( 24.06%)p 3.15( 75.75%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4905 -0.0078 -0.0013 0.0000 0.0000 0.0000 0.6362 -0.0017 -0.0031 -0.0003 0.4659 -0.0105 -0.0016 -0.0001 -0.3681 -0.0056 0.0002 -0.0001 -0.0150 -0.0058 -0.0002 0.0296 -0.0014 -0.0002 0.0089 0.0031 0.0006 -0.0138 0.0005 -0.0004 -0.0003 0.0037 -0.0001 0.0096 0.0009 0.0073 0.0010 -0.0054 0.0011 0.0042 -0.0001 0.0024 -0.0005 -0.0020 0.0019 0.0081 0.0011 0.0034 -0.0055 -0.0061 -0.0020 -0.0013 -0.0024 0.0063 0.0066 -0.0050 ( 62.31%) -0.7894* H 20 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0011 0.0000 0.0000 0.0229 -0.0037 0.0018 0.0159 -0.0021 0.0014 -0.0186 -0.0006 -0.0013 -0.0062 -0.0024 0.0039 0.0016 0.0023 0.0015 -0.0008 -0.0006 0.0016 0.0008 -0.0046 0.0004 0.0006 0.0013 0.0057 0.0018 -0.0056 100. (0.00258) BD*( 1) C 8- H 21 ( 38.02%) 0.6166* C 8 s( 24.20%)p 3.12( 75.61%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4919 -0.0092 -0.0009 -0.0001 0.0000 0.0000 0.1667 -0.0029 -0.0009 0.0001 -0.0740 -0.0106 -0.0017 -0.0002 0.8501 -0.0067 -0.0038 -0.0001 0.0047 -0.0014 0.0000 -0.0108 -0.0021 0.0001 0.0198 -0.0037 0.0002 0.0070 -0.0038 -0.0003 -0.0276 -0.0056 -0.0005 0.0068 0.0004 0.0031 0.0001 0.0009 -0.0022 -0.0003 0.0010 -0.0031 -0.0010 -0.0016 0.0003 0.0145 0.0008 -0.0107 -0.0076 0.0030 -0.0009 0.0025 0.0002 -0.0030 0.0007 -0.0010 ( 61.98%) -0.7873* H 21 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0011 -0.0001 0.0000 0.0029 -0.0022 0.0000 -0.0079 -0.0029 -0.0004 0.0337 -0.0035 0.0030 -0.0004 0.0001 -0.0027 -0.0010 0.0005 0.0003 0.0013 -0.0002 -0.0073 -0.0031 -0.0083 -0.0044 0.0014 -0.0009 0.0007 -0.0001 -0.0007 101. (0.03134) BD*( 1) C 9- P 10 ( 37.50%) 0.6124* C 9 s( 27.22%)p 2.66( 72.42%)d 0.01( 0.29%) f 0.00( 0.06%)g 0.00( 0.02%) 0.0000 -0.5214 0.0190 0.0029 0.0004 0.0001 0.0000 0.6542 0.0149 0.0066 0.0001 0.3675 0.0053 0.0029 0.0005 -0.4009 -0.0088 -0.0041 -0.0002 -0.0305 0.0003 0.0003 0.0346 -0.0001 -0.0006 0.0175 0.0006 -0.0003 -0.0192 -0.0003 0.0005 0.0077 0.0005 -0.0003 0.0122 -0.0005 0.0082 0.0009 -0.0057 -0.0010 0.0006 0.0022 -0.0094 0.0019 0.0051 0.0008 0.0134 -0.0011 0.0040 -0.0042 -0.0042 -0.0020 -0.0020 -0.0006 0.0076 0.0022 -0.0060 ( 62.50%) -0.7906* P 10 s( 21.41%)p 3.63( 77.78%)d 0.04( 0.79%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.4620 -0.0265 0.0006 -0.0001 0.0001 0.0000 0.0000 0.0000 -0.6456 0.0113 0.0008 -0.0016 -0.0001 0.0000 -0.4158 0.0227 0.0005 -0.0019 0.0002 0.0000 0.4326 -0.0167 0.0009 0.0014 -0.0001 0.0467 -0.0093 -0.0037 -0.0001 -0.0570 0.0004 0.0043 0.0002 -0.0275 -0.0020 0.0025 0.0002 0.0361 -0.0034 -0.0025 -0.0002 -0.0152 -0.0009 0.0010 0.0002 -0.0039 -0.0032 -0.0048 -0.0012 0.0040 0.0004 -0.0064 0.0015 -0.0039 0.0035 -0.0036 -0.0011 0.0008 -0.0032 0.0029 -0.0007 -0.0019 -0.0015 -0.0001 -0.0020 0.0036 0.0014 -0.0034 102. (0.00481) BD*( 1) C 9- H 22 ( 38.61%) 0.6213* C 9 s( 24.72%)p 3.04( 75.10%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4971 -0.0085 -0.0007 -0.0002 -0.0002 0.0000 -0.6917 0.0095 0.0037 0.0002 0.5219 0.0049 -0.0007 0.0000 -0.0048 -0.0068 -0.0005 0.0002 0.0283 0.0041 0.0005 -0.0034 0.0002 0.0000 0.0094 -0.0038 -0.0002 0.0040 -0.0049 -0.0004 0.0190 0.0013 0.0002 0.0106 0.0015 0.0047 0.0000 -0.0026 -0.0006 0.0049 -0.0009 -0.0084 -0.0001 0.0004 0.0019 0.0053 0.0006 -0.0058 0.0019 -0.0007 0.0022 -0.0072 0.0003 -0.0024 0.0082 0.0054 ( 61.39%) -0.7835* H 22 s( 99.86%)p 0.00( 0.13%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 0.0026 0.0000 0.0000 -0.0247 0.0039 -0.0022 0.0247 0.0006 0.0019 -0.0037 -0.0018 -0.0003 0.0064 0.0026 0.0007 0.0001 0.0004 -0.0001 -0.0027 -0.0010 0.0045 0.0015 -0.0006 -0.0047 0.0034 -0.0002 0.0008 -0.0022 -0.0072 103. (0.00244) BD*( 1) C 9- H 23 ( 38.21%) 0.6181* C 9 s( 24.15%)p 3.13( 75.67%)d 0.01( 0.13%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4914 -0.0087 -0.0013 0.0001 0.0001 0.0000 0.2138 0.0083 -0.0014 -0.0003 -0.1772 0.0040 0.0019 0.0006 0.8242 -0.0077 -0.0023 0.0001 0.0001 0.0022 0.0001 -0.0259 0.0018 -0.0002 0.0071 0.0033 -0.0002 -0.0075 0.0027 0.0003 -0.0225 -0.0059 -0.0004 0.0056 0.0001 0.0011 0.0019 -0.0041 0.0010 0.0021 0.0005 -0.0045 -0.0015 0.0059 0.0001 0.0125 0.0006 -0.0073 -0.0075 0.0070 -0.0017 0.0051 -0.0008 -0.0020 -0.0012 0.0005 ( 61.79%) -0.7861* H 23 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0008 -0.0002 0.0000 0.0102 0.0002 0.0005 -0.0053 0.0012 -0.0005 0.0318 -0.0034 0.0028 -0.0005 0.0004 -0.0030 -0.0012 0.0031 0.0011 0.0003 0.0001 -0.0067 -0.0029 -0.0068 -0.0046 0.0042 -0.0002 0.0022 -0.0001 -0.0004 104. (0.00268) BD*( 1) C 9- H 24 ( 38.77%) 0.6227* C 9 s( 23.76%)p 3.20( 76.06%)d 0.01( 0.14%) f 0.00( 0.03%)g 0.00( 0.02%) 0.0000 -0.4873 -0.0086 -0.0007 -0.0001 0.0000 0.0000 -0.2109 0.0107 0.0001 -0.0001 -0.7474 0.0084 0.0023 0.0001 -0.3965 -0.0034 -0.0001 -0.0004 -0.0035 -0.0037 -0.0002 0.0021 -0.0045 -0.0004 -0.0303 -0.0009 -0.0001 0.0190 0.0038 0.0003 -0.0033 0.0046 -0.0002 0.0069 0.0008 0.0099 -0.0005 -0.0051 -0.0014 -0.0036 0.0004 -0.0040 -0.0007 0.0038 -0.0013 0.0071 0.0014 0.0037 0.0039 0.0062 0.0036 0.0001 0.0062 0.0045 -0.0045 0.0063 ( 61.23%) -0.7825* H 24 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0010 -0.0002 0.0000 -0.0053 0.0026 -0.0009 -0.0271 0.0030 -0.0025 -0.0190 0.0000 -0.0017 -0.0043 -0.0013 -0.0009 -0.0008 -0.0049 -0.0021 0.0050 0.0019 0.0013 0.0007 -0.0045 -0.0004 0.0000 -0.0050 0.0036 -0.0038 -0.0038 105. (0.00794) BD*( 1) C 11- C 12 ( 50.34%) 0.7095* C 11 s( 32.31%)p 2.09( 67.48%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5685 0.0002 0.0010 0.0001 0.0002 0.0000 0.4543 0.0184 0.0064 0.0015 0.0451 -0.0107 -0.0084 0.0004 0.6815 -0.0364 -0.0007 0.0023 -0.0153 0.0036 0.0003 0.0215 0.0117 0.0008 -0.0092 -0.0007 0.0005 0.0209 0.0050 -0.0023 -0.0013 0.0084 0.0006 0.0022 -0.0007 0.0145 0.0016 0.0015 -0.0004 0.0112 0.0017 -0.0081 0.0001 0.0058 0.0003 -0.0015 0.0003 -0.0059 0.0071 -0.0005 0.0076 -0.0005 -0.0012 -0.0012 0.0011 -0.0007 ( 49.66%) -0.7047* C 12 s( 32.67%)p 2.05( 67.12%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5716 0.0009 0.0009 0.0000 -0.0002 0.0000 -0.5797 0.0349 0.0016 -0.0020 0.2396 -0.0122 -0.0073 0.0012 -0.5255 -0.0138 -0.0049 -0.0023 0.0026 -0.0032 -0.0004 0.0186 0.0111 0.0013 0.0040 -0.0065 0.0000 0.0106 0.0057 -0.0006 0.0276 0.0007 -0.0017 0.0006 0.0003 -0.0125 -0.0021 0.0023 0.0008 -0.0127 -0.0005 0.0017 0.0010 -0.0032 -0.0004 0.0085 -0.0001 -0.0064 0.0003 0.0011 0.0090 -0.0022 0.0004 -0.0036 0.0003 0.0004 106. (0.00788) BD*( 1) C 11- C 15 ( 50.27%) 0.7090* C 11 s( 32.49%)p 2.07( 67.30%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5700 0.0000 0.0010 0.0001 0.0003 0.0000 0.3545 0.0232 0.0063 0.0012 0.1575 -0.0164 -0.0084 0.0009 -0.7216 0.0314 -0.0016 -0.0026 -0.0103 0.0050 0.0004 -0.0259 -0.0092 -0.0003 0.0070 -0.0032 -0.0003 0.0187 0.0033 -0.0024 0.0069 0.0106 0.0005 -0.0065 0.0000 0.0167 0.0020 0.0045 -0.0001 -0.0078 -0.0014 0.0036 -0.0008 0.0052 0.0000 0.0015 0.0005 -0.0015 -0.0105 0.0001 0.0046 0.0021 0.0026 -0.0006 0.0016 -0.0011 ( 49.73%) -0.7052* C 15 s( 32.75%)p 2.05( 67.05%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5723 0.0008 0.0010 0.0000 -0.0002 0.0000 -0.4977 0.0364 0.0023 -0.0017 0.1415 -0.0145 -0.0080 0.0008 0.6333 0.0068 0.0035 0.0028 0.0037 -0.0004 -0.0001 -0.0123 -0.0116 -0.0016 -0.0141 0.0051 0.0005 0.0065 0.0053 -0.0008 0.0288 0.0054 -0.0012 0.0044 0.0008 -0.0147 -0.0023 -0.0017 0.0007 0.0116 0.0003 0.0012 -0.0001 -0.0011 -0.0004 0.0060 -0.0003 -0.0053 -0.0066 -0.0004 0.0083 -0.0018 0.0013 0.0001 0.0007 0.0006 107. (0.00699) BD*( 1) C 11- H 25 ( 36.83%) 0.6069* C 11 s( 32.30%)p 2.09( 67.60%)d 0.00( 0.03%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5683 -0.0054 0.0012 0.0001 0.0003 0.0001 0.8159 0.0099 0.0073 -0.0047 -0.0768 0.0029 0.0019 0.0002 -0.0648 -0.0003 -0.0004 0.0003 -0.0042 0.0014 0.0000 0.0003 0.0019 0.0001 0.0011 0.0000 -0.0003 -0.0104 -0.0122 0.0014 0.0001 0.0068 0.0014 0.0022 0.0003 -0.0116 -0.0016 0.0004 -0.0001 -0.0038 -0.0003 0.0004 0.0001 0.0186 0.0014 -0.0085 0.0000 -0.0065 -0.0025 0.0009 0.0055 -0.0007 0.0011 -0.0005 -0.0044 0.0008 ( 63.17%) -0.7948* H 25 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0023 -0.0002 -0.0002 0.0295 -0.0092 0.0007 -0.0022 0.0005 0.0000 -0.0021 0.0007 0.0000 0.0025 0.0006 0.0018 0.0004 -0.0005 0.0000 -0.0097 -0.0026 0.0073 0.0013 -0.0009 0.0048 -0.0002 0.0012 0.0000 -0.0070 0.0009 108. (0.01097) BD*( 1) C 12- C 13 ( 50.10%) 0.7078* C 12 s( 31.51%)p 2.17( 68.28%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5613 0.0042 0.0010 -0.0001 -0.0003 0.0000 0.7872 -0.0265 -0.0012 0.0024 0.1698 -0.0035 -0.0093 0.0010 -0.1810 -0.0265 -0.0059 -0.0008 -0.0109 0.0033 0.0007 -0.0252 -0.0052 0.0004 0.0035 -0.0035 0.0004 0.0209 0.0112 -0.0002 0.0075 -0.0069 -0.0020 0.0072 0.0016 -0.0033 -0.0002 0.0048 0.0000 -0.0103 -0.0014 0.0057 -0.0008 0.0146 0.0013 0.0016 0.0003 0.0038 0.0087 -0.0009 -0.0017 -0.0029 -0.0054 -0.0003 0.0030 0.0003 ( 49.90%) -0.7064* C 13 s( 30.93%)p 2.23( 68.86%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5561 0.0045 0.0012 0.0002 -0.0001 0.0000 -0.6881 0.0002 -0.0040 -0.0022 0.2138 -0.0052 -0.0080 0.0014 0.4097 -0.0378 -0.0040 0.0018 0.0065 -0.0061 -0.0002 -0.0035 -0.0112 -0.0014 -0.0042 0.0011 0.0006 0.0333 0.0068 -0.0014 -0.0117 -0.0020 -0.0003 -0.0065 -0.0007 0.0023 0.0010 0.0083 -0.0006 0.0117 0.0016 0.0009 -0.0003 -0.0126 -0.0011 0.0027 0.0010 -0.0026 0.0091 -0.0025 0.0032 -0.0015 -0.0039 0.0019 0.0025 -0.0004 109. (0.00772) BD*( 1) C 12- H 26 ( 37.22%) 0.6101* C 12 s( 30.95%)p 2.23( 68.95%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5563 -0.0035 0.0012 -0.0002 -0.0003 0.0000 0.2010 0.0029 0.0017 -0.0012 0.0501 0.0056 0.0037 -0.0006 -0.8040 -0.0093 -0.0079 0.0041 -0.0020 -0.0003 -0.0003 0.0026 0.0060 0.0002 0.0108 0.0017 -0.0004 -0.0039 -0.0010 0.0018 -0.0058 -0.0139 0.0006 -0.0192 -0.0017 0.0111 0.0013 0.0008 0.0007 -0.0056 0.0002 0.0003 -0.0004 0.0011 -0.0002 -0.0016 -0.0001 -0.0058 0.0079 0.0014 0.0014 -0.0016 -0.0020 0.0006 -0.0014 0.0005 ( 62.78%) -0.7923* H 26 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0024 -0.0002 -0.0001 0.0087 -0.0010 0.0005 0.0031 -0.0006 0.0002 -0.0298 0.0047 -0.0008 -0.0005 0.0000 0.0054 0.0011 0.0007 0.0003 0.0004 -0.0003 -0.0119 -0.0026 0.0068 -0.0047 -0.0023 0.0012 0.0009 -0.0001 -0.0001 110. (0.01647) BD*( 1) C 13- C 14 ( 49.97%) 0.7069* C 13 s( 28.96%)p 2.45( 70.82%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5381 -0.0064 -0.0015 -0.0001 0.0001 0.0000 -0.0669 0.0324 0.0055 -0.0003 -0.3098 0.0058 0.0083 -0.0016 0.7786 -0.0181 0.0029 0.0025 0.0033 0.0013 -0.0005 -0.0180 0.0027 0.0013 -0.0037 0.0070 0.0005 -0.0136 0.0032 0.0013 -0.0302 -0.0109 -0.0003 0.0174 0.0020 0.0031 0.0007 -0.0030 -0.0014 0.0018 -0.0003 0.0026 -0.0006 0.0004 -0.0006 -0.0088 0.0001 -0.0090 0.0005 0.0034 0.0053 -0.0012 -0.0012 -0.0027 -0.0027 0.0012 ( 50.03%) -0.7073* C 14 s( 29.00%)p 2.44( 70.78%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5384 -0.0067 -0.0017 0.0000 0.0001 0.0000 -0.1810 0.0347 0.0057 -0.0005 -0.1803 0.0036 0.0089 -0.0010 -0.8007 0.0145 -0.0018 -0.0028 0.0020 0.0013 -0.0004 0.0124 -0.0055 -0.0016 0.0147 -0.0041 -0.0006 -0.0099 0.0015 0.0009 -0.0311 -0.0122 -0.0002 -0.0172 -0.0025 -0.0031 -0.0001 0.0053 -0.0006 -0.0034 0.0003 -0.0007 0.0004 -0.0004 -0.0005 -0.0085 0.0001 -0.0082 -0.0065 0.0003 0.0036 -0.0016 0.0027 0.0011 -0.0019 0.0012 111. (0.00889) BD*( 1) C 13- H 27 ( 37.68%) 0.6138* C 13 s( 31.11%)p 2.21( 68.79%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5578 -0.0046 0.0015 0.0002 0.0001 0.0000 -0.7043 -0.0090 -0.0060 0.0038 0.0223 0.0081 0.0034 -0.0006 -0.4371 -0.0023 -0.0047 0.0024 0.0073 0.0009 -0.0003 -0.0031 -0.0123 -0.0003 0.0048 0.0004 -0.0003 -0.0070 -0.0093 0.0013 -0.0005 0.0010 0.0011 0.0076 0.0011 -0.0050 -0.0005 -0.0022 0.0001 -0.0167 -0.0017 0.0007 0.0004 -0.0130 -0.0008 -0.0019 0.0003 0.0037 0.0061 0.0000 -0.0046 0.0001 -0.0042 0.0009 -0.0018 0.0008 ( 62.32%) -0.7894* H 27 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0030 0.0000 -0.0002 -0.0267 0.0034 -0.0014 0.0031 0.0013 0.0003 -0.0140 0.0036 -0.0003 0.0001 0.0000 -0.0100 -0.0023 0.0000 0.0000 -0.0073 -0.0020 0.0015 0.0000 -0.0034 0.0016 -0.0001 0.0063 -0.0013 0.0044 -0.0011 112. (0.01059) BD*( 1) C 14- C 15 ( 49.91%) 0.7065* C 14 s( 31.17%)p 2.20( 68.63%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5582 -0.0040 -0.0012 -0.0002 0.0002 0.0000 0.7382 -0.0058 0.0033 0.0028 -0.2618 0.0113 0.0088 -0.0015 0.2669 -0.0364 -0.0033 0.0013 -0.0074 0.0075 0.0005 0.0032 -0.0081 -0.0014 -0.0009 0.0003 0.0001 -0.0334 -0.0088 0.0012 0.0111 0.0049 0.0007 -0.0080 -0.0001 -0.0070 -0.0015 -0.0072 0.0004 0.0055 0.0011 -0.0020 0.0002 0.0140 0.0013 -0.0044 -0.0012 -0.0030 0.0094 -0.0018 0.0007 -0.0020 -0.0036 0.0025 -0.0028 0.0018 ( 50.09%) -0.7078* C 15 s( 31.62%)p 2.16( 68.17%)d 0.00( 0.15%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5623 -0.0034 -0.0011 0.0000 0.0003 0.0000 -0.8069 0.0221 0.0002 -0.0026 -0.1417 0.0084 0.0099 -0.0008 -0.0948 -0.0292 -0.0044 -0.0006 0.0151 -0.0030 -0.0007 -0.0210 -0.0025 0.0007 0.0063 -0.0031 -0.0001 -0.0229 -0.0125 0.0003 -0.0002 0.0067 0.0019 0.0029 0.0014 0.0087 0.0008 -0.0056 -0.0001 -0.0077 -0.0011 0.0058 -0.0006 -0.0150 -0.0016 0.0012 -0.0001 -0.0075 0.0059 0.0002 0.0050 0.0014 -0.0031 0.0000 -0.0039 0.0007 113. (0.00842) BD*( 1) C 14- H 29 ( 37.51%) 0.6124* C 14 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5595 -0.0041 0.0015 0.0002 0.0000 0.0000 -0.6334 -0.0083 -0.0065 0.0032 -0.0510 0.0070 0.0033 0.0000 0.5309 0.0046 0.0073 -0.0030 0.0061 -0.0008 -0.0004 0.0049 0.0133 0.0002 -0.0045 0.0009 -0.0002 -0.0061 -0.0081 0.0015 -0.0025 -0.0025 0.0011 -0.0059 -0.0008 -0.0108 -0.0013 -0.0040 0.0002 0.0157 0.0016 0.0036 -0.0002 -0.0099 -0.0006 -0.0047 0.0000 0.0055 -0.0020 -0.0005 -0.0070 0.0004 0.0031 0.0011 -0.0010 -0.0001 ( 62.49%) -0.7905* H 29 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0025 0.0001 -0.0002 -0.0235 0.0022 -0.0012 -0.0007 0.0007 0.0001 0.0183 -0.0031 0.0006 -0.0015 -0.0002 0.0114 0.0026 0.0008 0.0003 -0.0062 -0.0018 -0.0011 -0.0006 0.0023 0.0044 0.0002 -0.0065 -0.0001 0.0034 0.0001 114. (0.00783) BD*( 1) C 15- H 28 ( 37.21%) 0.6100* C 15 s( 31.01%)p 2.22( 68.88%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5569 -0.0037 0.0013 -0.0001 -0.0003 0.0001 0.3116 0.0044 0.0028 -0.0018 -0.0769 0.0042 0.0026 0.0001 0.7652 0.0100 0.0081 -0.0040 -0.0026 0.0009 -0.0002 -0.0039 -0.0090 -0.0003 -0.0076 0.0022 0.0000 -0.0056 -0.0023 0.0018 -0.0075 -0.0121 0.0007 0.0133 0.0013 0.0149 0.0019 -0.0069 0.0000 0.0069 0.0003 -0.0042 0.0001 0.0017 -0.0001 -0.0032 -0.0001 -0.0017 -0.0098 0.0008 -0.0021 0.0010 0.0021 -0.0003 -0.0011 -0.0001 ( 62.79%) -0.7924* H 28 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0025 -0.0001 -0.0001 0.0127 -0.0018 0.0006 -0.0012 0.0005 0.0000 0.0282 -0.0050 0.0008 0.0006 0.0002 -0.0080 -0.0016 0.0023 0.0005 -0.0003 -0.0005 -0.0098 -0.0023 -0.0052 -0.0065 0.0007 -0.0026 0.0004 -0.0006 0.0002 115. (0.33936) 3Cn( 1)Tc 1- C 12- C 13 ( 55.55%) 0.7454*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 0.3991 0.0093 -0.0125 0.0035 -0.0017 -0.0002 0.0000 -0.0011 0.0053 -0.0020 0.0034 0.0000 0.0103 0.0237 -0.0042 0.0005 0.0000 0.0121 -0.0007 -0.0057 0.0034 0.4065 -0.0103 -0.0056 -0.0052 0.1896 -0.0003 0.0001 -0.0006 0.7138 0.0107 0.0037 -0.0059 -0.0565 -0.0124 -0.0084 0.0065 -0.3505 0.0172 -0.0026 0.0072 -0.0040 -0.0094 -0.0032 -0.0006 0.0149 -0.0050 0.0026 -0.0008 -0.0211 0.0004 0.0038 -0.0016 -0.0093 -0.0089 -0.0029 -0.0003 -0.0037 -0.0035 0.0033 -0.0002 -0.0069 -0.0104 -0.0031 0.0010 -0.0233 -0.0070 0.0031 -0.0012 0.0011 -0.0015 0.0012 -0.0008 0.0007 -0.0011 0.0007 -0.0004 0.0036 -0.0012 -0.0055 0.0002 -0.0024 -0.0010 -0.0016 -0.0006 -0.0053 -0.0009 ( 44.43%) 0.6666* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2139 0.0259 -0.0001 0.0008 0.0000 0.0000 -0.0048 -0.0059 -0.0044 -0.0027 0.9519 0.0162 -0.0063 0.0001 0.2052 0.0309 -0.0029 0.0021 0.0150 0.0129 0.0002 0.0040 0.0000 0.0012 -0.0479 0.0022 -0.0001 0.0132 -0.0029 0.0007 -0.0008 -0.0032 0.0012 -0.0056 0.0004 0.0068 0.0004 0.0231 -0.0003 0.0015 0.0019 -0.0094 -0.0009 0.0023 0.0002 0.0132 0.0026 0.0030 -0.0038 0.0068 -0.0011 -0.0064 -0.0024 -0.0051 -0.0022 0.0027 ( 0.01%) 0.0116* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 116. (0.34635) 3Cn( 1)Tc 1- C 14- C 15 ( 57.00%) 0.7550*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 0.3891 0.0113 -0.0114 0.0030 -0.0012 -0.0002 0.0000 -0.0020 0.0051 -0.0018 0.0027 0.0000 0.0108 0.0230 -0.0051 0.0010 0.0000 -0.0121 0.0044 0.0056 -0.0028 0.3871 -0.0106 -0.0052 -0.0049 -0.1674 -0.0023 -0.0033 0.0004 -0.6438 -0.0086 -0.0017 0.0033 -0.1588 -0.0146 -0.0075 0.0073 -0.4765 0.0131 -0.0034 0.0081 -0.0048 0.0092 0.0035 0.0003 0.0151 -0.0030 0.0024 -0.0007 -0.0221 -0.0063 0.0017 -0.0017 0.0012 0.0079 0.0052 -0.0005 0.0037 0.0085 -0.0037 -0.0001 -0.0065 -0.0074 -0.0037 0.0010 -0.0250 -0.0080 0.0021 -0.0011 0.0003 -0.0009 -0.0005 -0.0002 -0.0020 0.0018 0.0005 0.0005 0.0012 -0.0011 0.0063 -0.0008 0.0033 0.0012 -0.0007 -0.0004 -0.0061 -0.0006 ( 0.01%) 0.0109* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2868 0.0231 0.0018 -0.0005 -0.0007 0.0000 0.1348 0.0330 -0.0011 0.0022 0.9439 0.0088 -0.0080 -0.0014 -0.0495 -0.0239 0.0032 -0.0001 -0.0409 -0.0070 0.0001 0.0039 -0.0009 -0.0007 0.0274 -0.0075 -0.0011 0.0075 -0.0019 0.0001 0.0110 -0.0030 0.0011 -0.0004 -0.0017 -0.0079 -0.0005 0.0111 -0.0002 0.0133 0.0001 -0.0133 0.0011 -0.0049 0.0015 0.0192 0.0016 -0.0021 0.0014 0.0060 0.0008 0.0064 -0.0021 -0.0075 -0.0031 0.0006 ( 42.99%) 0.6557* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2079 0.0251 0.0003 0.0007 0.0000 0.0000 -0.0201 -0.0096 -0.0040 -0.0029 0.9739 0.0219 -0.0069 0.0003 -0.0443 -0.0266 0.0024 -0.0016 0.0213 0.0129 0.0004 -0.0017 0.0018 -0.0010 0.0414 -0.0027 -0.0003 0.0199 -0.0031 0.0004 0.0123 -0.0040 0.0015 0.0104 -0.0006 0.0110 0.0007 0.0172 0.0002 0.0080 -0.0012 0.0084 0.0002 0.0045 0.0000 0.0141 0.0031 -0.0013 0.0014 -0.0040 -0.0014 -0.0108 0.0004 0.0029 -0.0008 0.0032 117. (0.19577) 3C*( 1)Tc 1- C 12- C 13 ( 20.04%) 0.4477*Tc 1 s( 15.95%)p 0.01( 0.09%)d 5.25( 83.76%) f 0.01( 0.18%)g 0.00( 0.01%) 0.0000 -0.3991 -0.0093 0.0125 -0.0035 0.0017 0.0002 0.0000 0.0011 -0.0053 0.0020 -0.0034 0.0000 -0.0103 -0.0237 0.0042 -0.0005 0.0000 -0.0121 0.0007 0.0057 -0.0034 -0.4065 0.0103 0.0056 0.0052 -0.1896 0.0003 -0.0001 0.0006 -0.7138 -0.0107 -0.0037 0.0059 0.0565 0.0124 0.0084 -0.0065 0.3505 -0.0172 0.0026 -0.0072 0.0040 0.0094 0.0032 0.0006 -0.0149 0.0050 -0.0026 0.0008 0.0211 -0.0004 -0.0038 0.0016 0.0093 0.0089 0.0029 0.0003 0.0037 0.0035 -0.0033 0.0002 0.0069 0.0104 0.0031 -0.0010 0.0233 0.0070 -0.0031 0.0012 -0.0011 0.0015 -0.0012 0.0008 -0.0007 0.0011 -0.0007 0.0004 -0.0036 0.0012 0.0055 -0.0002 0.0024 0.0010 0.0016 0.0006 0.0053 0.0009 ( 23.77%) -0.4875* C 12 s( 4.64%)p20.45( 94.96%)d 0.06( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2139 -0.0259 0.0001 -0.0008 0.0000 0.0000 0.0048 0.0059 0.0044 0.0027 -0.9519 -0.0162 0.0063 -0.0001 -0.2052 -0.0309 0.0029 -0.0021 -0.0150 -0.0129 -0.0002 -0.0040 0.0000 -0.0012 0.0479 -0.0022 0.0001 -0.0132 0.0029 -0.0007 0.0008 0.0032 -0.0012 0.0056 -0.0004 -0.0068 -0.0004 -0.0231 0.0003 -0.0015 -0.0019 0.0094 0.0009 -0.0023 -0.0002 -0.0132 -0.0026 -0.0030 0.0038 -0.0068 0.0011 0.0064 0.0024 0.0051 0.0022 -0.0027 ( 56.19%) 0.7496* C 13 s( 8.76%)p10.37( 90.86%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2949 -0.0255 -0.0014 0.0001 0.0008 0.0000 -0.1525 -0.0353 0.0004 -0.0024 -0.9233 -0.0064 0.0067 0.0012 -0.1761 -0.0217 0.0041 0.0005 0.0438 0.0054 -0.0001 0.0089 0.0006 -0.0010 0.0239 -0.0100 -0.0007 -0.0023 0.0007 -0.0003 -0.0057 0.0005 -0.0011 -0.0062 -0.0016 0.0011 0.0002 -0.0086 0.0005 0.0068 0.0001 -0.0138 0.0016 0.0041 -0.0012 -0.0237 -0.0014 0.0046 0.0017 0.0054 0.0002 -0.0018 -0.0040 -0.0087 0.0007 -0.0016 118. (0.19693) 3C*( 1)Tc 1- C 14- C 15 ( 18.37%) 0.4286*Tc 1 s( 15.17%)p 0.01( 0.09%)d 5.57( 84.54%) f 0.01( 0.19%)g 0.00( 0.01%) 0.0000 -0.3891 -0.0113 0.0114 -0.0030 0.0012 0.0002 0.0000 0.0020 -0.0051 0.0018 -0.0027 0.0000 -0.0108 -0.0230 0.0051 -0.0010 0.0000 0.0121 -0.0044 -0.0056 0.0028 -0.3871 0.0106 0.0052 0.0049 0.1674 0.0023 0.0033 -0.0004 0.6438 0.0086 0.0017 -0.0033 0.1588 0.0146 0.0075 -0.0073 0.4765 -0.0131 0.0034 -0.0081 0.0048 -0.0092 -0.0035 -0.0003 -0.0151 0.0030 -0.0024 0.0007 0.0221 0.0063 -0.0017 0.0017 -0.0012 -0.0079 -0.0052 0.0005 -0.0037 -0.0085 0.0037 0.0001 0.0065 0.0074 0.0037 -0.0010 0.0250 0.0080 -0.0021 0.0011 -0.0003 0.0009 0.0005 0.0002 0.0020 -0.0018 -0.0005 -0.0005 -0.0012 0.0011 -0.0063 0.0008 -0.0033 -0.0012 0.0007 0.0004 0.0061 0.0006 ( 56.04%) -0.7486* C 14 s( 8.28%)p11.03( 91.34%)d 0.03( 0.27%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2868 0.0231 0.0018 -0.0005 -0.0007 0.0000 0.1348 0.0330 -0.0011 0.0022 0.9439 0.0088 -0.0080 -0.0014 -0.0495 -0.0239 0.0032 -0.0001 -0.0409 -0.0070 0.0001 0.0039 -0.0009 -0.0007 0.0274 -0.0075 -0.0011 0.0075 -0.0019 0.0001 0.0110 -0.0030 0.0011 -0.0004 -0.0017 -0.0079 -0.0005 0.0111 -0.0002 0.0133 0.0001 -0.0133 0.0011 -0.0049 0.0015 0.0192 0.0016 -0.0021 0.0014 0.0060 0.0008 0.0064 -0.0021 -0.0075 -0.0031 0.0006 ( 25.59%) 0.5059* C 15 s( 4.38%)p21.71( 95.22%)d 0.07( 0.29%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2079 0.0251 0.0003 0.0007 0.0000 0.0000 -0.0201 -0.0096 -0.0040 -0.0029 0.9739 0.0219 -0.0069 0.0003 -0.0443 -0.0266 0.0024 -0.0016 0.0213 0.0129 0.0004 -0.0017 0.0018 -0.0010 0.0414 -0.0027 -0.0003 0.0199 -0.0031 0.0004 0.0123 -0.0040 0.0015 0.0104 -0.0006 0.0110 0.0007 0.0172 0.0002 0.0080 -0.0012 0.0084 0.0002 0.0045 0.0000 0.0141 0.0031 -0.0013 0.0014 -0.0040 -0.0014 -0.0108 0.0004 0.0029 -0.0008 0.0032 119. (0.00790) RY ( 1)Tc 1 s( 9.87%)p 4.35( 42.99%)d 3.51( 34.65%) f 1.22( 12.01%)g 0.05( 0.48%) 0.0000 -0.0259 0.3023 0.0800 0.0145 -0.0082 0.0009 0.0000 0.6080 -0.0128 0.0048 0.0349 0.0000 0.2199 0.0955 0.0273 0.0149 0.0000 -0.0155 0.0084 0.0009 0.0006 0.0040 -0.4086 0.0429 -0.0159 0.0035 -0.0277 -0.0075 -0.0009 -0.0061 -0.0099 0.0061 -0.0044 0.0166 -0.1724 0.0716 0.0181 0.0407 0.3711 -0.0322 0.0234 -0.0323 0.0121 0.0015 -0.0007 0.2428 -0.0160 -0.0118 0.0006 -0.2099 0.0678 -0.0038 -0.0048 -0.0299 0.0071 0.0005 -0.0013 -0.0401 0.0113 0.0021 -0.0013 0.0292 -0.0423 -0.0433 0.0101 -0.0274 -0.0531 -0.0045 -0.0003 0.0595 -0.0047 -0.0017 -0.0020 -0.0123 -0.0002 -0.0044 0.0092 -0.0280 -0.0025 -0.0043 -0.0009 0.0009 -0.0012 -0.0113 -0.0054 0.0008 -0.0066 120. (0.00367) RY ( 2)Tc 1 s( 20.28%)p 0.32( 6.39%)d 1.99( 40.43%) f 1.57( 31.75%)g 0.06( 1.15%) 0.0000 -0.0345 0.4047 -0.1939 0.0098 0.0143 -0.0030 0.0000 -0.0436 -0.0968 0.0294 -0.0027 0.0000 0.1794 0.0371 0.0142 -0.0047 0.0000 -0.1290 -0.0308 0.0195 0.0016 -0.0083 -0.1261 0.0022 0.0218 -0.0008 0.0322 -0.0565 -0.0037 0.0029 0.0485 0.0375 0.0089 0.0252 0.3969 0.0272 0.0019 -0.0211 -0.4688 -0.0252 0.0003 -0.0826 -0.0023 0.0071 0.0018 -0.1610 -0.0580 -0.0152 0.0034 -0.4306 0.0355 -0.0302 0.0057 -0.1822 0.0453 -0.0009 -0.0030 -0.0534 0.0080 -0.0108 0.0001 -0.1561 0.0141 -0.0032 -0.0033 -0.1703 -0.0316 -0.0221 -0.0068 -0.0434 -0.0076 0.0250 0.0003 0.0237 0.0069 -0.0222 -0.0008 0.0837 0.0016 -0.0007 -0.0006 0.0162 -0.0018 -0.0224 0.0036 -0.0020 0.0014 121. (0.00355) RY ( 3)Tc 1 s( 1.01%)p43.39( 43.73%)d10.46( 10.54%) f43.18( 43.51%)g 1.20( 1.21%) 0.0000 -0.0060 0.0856 -0.0520 -0.0021 -0.0010 -0.0010 0.0000 0.0292 -0.0224 0.0116 0.0008 0.0000 0.0164 -0.0083 0.0103 -0.0011 0.0000 0.6352 0.1657 -0.0661 -0.0076 -0.0053 0.0027 -0.0188 0.0016 -0.0050 -0.1656 0.1722 0.0228 -0.0046 -0.0531 -0.1293 -0.0466 0.0019 0.1417 -0.0066 -0.0013 -0.0062 -0.0661 -0.0337 -0.0070 0.0063 0.0481 -0.0572 -0.0059 -0.0028 0.0017 -0.0056 0.0008 -0.1887 0.0274 0.0054 0.0006 0.4862 -0.2092 -0.0030 0.0139 0.3239 0.0179 0.0455 -0.0017 0.0168 -0.0047 -0.0022 0.0002 -0.0695 0.0158 -0.0014 -0.0035 -0.0247 -0.0056 -0.0520 -0.0018 -0.0580 -0.0189 -0.0235 -0.0027 0.0177 -0.0009 0.0627 0.0033 -0.0098 0.0045 -0.0056 0.0011 -0.0086 0.0011 122. (0.00227) RY ( 4)Tc 1 s( 0.52%)p20.40( 10.55%)d99.99( 79.85%) f15.55( 8.04%)g 2.01( 1.04%) 0.0000 0.0147 -0.0033 0.0692 -0.0110 0.0054 0.0017 0.0000 0.1779 -0.0583 -0.0064 -0.0107 0.0000 0.0034 -0.1464 0.0294 -0.0007 0.0000 0.1633 0.1361 -0.0533 -0.0019 0.0040 0.0926 0.0211 0.0152 0.0113 0.8599 -0.1909 -0.0092 -0.0051 0.0192 -0.0257 -0.0111 -0.0110 0.0932 0.0117 -0.0253 -0.0122 -0.0360 -0.0041 -0.0298 0.1066 0.0483 -0.0221 -0.0039 -0.0479 -0.0101 -0.0107 -0.0002 -0.0247 0.0039 -0.0195 0.0062 0.1026 -0.0543 0.0027 0.0065 -0.1563 0.0214 0.0436 -0.0106 0.0638 -0.0037 0.0190 -0.0049 0.1320 -0.0166 0.0104 0.0002 -0.0279 -0.0001 -0.0409 -0.0011 -0.0706 -0.0105 -0.0236 -0.0007 0.0249 0.0048 0.0237 0.0090 0.0272 -0.0074 -0.0089 0.0031 0.0107 -0.0005 123. (0.00199) RY ( 5)Tc 1 s( 1.54%)p 3.33( 5.15%)d44.47( 68.70%) f15.71( 24.28%)g 0.22( 0.33%) 0.0000 0.0038 0.0996 0.0735 0.0067 0.0079 0.0003 0.0000 0.1060 -0.0804 -0.0017 -0.0014 0.0000 -0.0650 -0.1183 -0.0034 0.0004 0.0000 -0.0879 0.0723 -0.0329 0.0389 0.0088 0.0755 0.0704 0.0269 -0.0137 -0.1363 -0.0824 -0.0085 0.0109 -0.6902 -0.1336 -0.0583 -0.0018 -0.3147 0.0210 -0.0193 -0.0090 -0.2212 -0.0475 -0.0306 0.0456 -0.1807 -0.0745 -0.0003 -0.1725 0.0020 -0.0181 0.0023 -0.0535 0.0559 0.0026 0.0004 0.0666 -0.2217 -0.0788 0.0024 -0.2681 0.0999 0.0376 0.0029 -0.0881 0.0838 0.0072 -0.0031 0.0910 0.0050 0.0129 -0.0004 -0.0145 -0.0075 0.0086 0.0043 0.0198 -0.0203 -0.0107 -0.0065 0.0382 0.0023 0.0190 0.0063 -0.0039 -0.0084 0.0008 0.0027 -0.0068 0.0027 124. (0.00183) RY ( 6)Tc 1 s( 8.75%)p 3.27( 28.63%)d 5.74( 50.22%) f 1.31( 11.45%)g 0.11( 0.94%) 0.0000 -0.0396 0.2335 -0.1716 0.0445 -0.0007 -0.0024 0.0000 -0.3499 0.0862 0.0305 0.0522 0.0000 -0.0712 0.3327 -0.0834 0.0369 0.0000 0.1420 0.0848 -0.0375 0.0002 -0.0181 -0.2365 -0.0128 -0.0250 0.0028 0.2328 -0.0346 -0.0017 -0.0038 0.1057 0.0179 -0.0126 0.0048 -0.5962 -0.1048 0.0744 0.0128 -0.0079 -0.0343 0.0681 0.0294 0.0420 0.0085 -0.0065 -0.1666 -0.0003 0.0467 -0.0082 -0.0180 -0.0761 0.0554 -0.0217 -0.0274 -0.0108 0.0052 -0.0019 0.0321 -0.0158 0.0097 -0.0062 -0.1595 0.0939 -0.0089 0.0102 -0.1812 0.0359 0.0349 -0.0049 0.0283 -0.0059 -0.0312 -0.0057 -0.0495 0.0006 0.0244 -0.0131 -0.0402 -0.0238 0.0015 -0.0027 -0.0059 0.0006 0.0387 -0.0112 -0.0216 0.0058 125. (0.00174) RY ( 7)Tc 1 s( 10.83%)p 1.95( 21.09%)d 4.88( 52.84%) f 1.35( 14.61%)g 0.06( 0.63%) 0.0000 0.0104 0.1167 0.3056 0.0147 0.0317 -0.0003 0.0000 0.2283 -0.2689 -0.0040 -0.0425 0.0000 -0.2481 -0.1074 0.0239 0.0056 0.0000 0.0616 -0.0718 0.0406 -0.0177 0.0014 0.3673 0.1321 0.0572 0.0017 -0.0715 0.0852 0.0059 0.0002 0.3522 0.0771 0.0448 -0.0044 -0.3743 0.0878 0.0003 -0.0152 -0.2739 -0.0316 -0.0655 -0.0888 0.1071 0.0288 -0.0005 0.0886 -0.0016 -0.0056 0.0050 -0.1783 0.0142 -0.0925 0.0069 -0.0578 0.1027 0.0185 -0.0011 0.1075 -0.0574 -0.0467 0.0039 -0.1119 0.1640 0.0491 -0.0149 0.0542 -0.0084 -0.0337 -0.0009 -0.0435 -0.0082 0.0054 0.0036 0.0041 0.0141 0.0432 -0.0009 0.0249 0.0171 -0.0005 -0.0015 -0.0035 0.0060 0.0186 0.0064 0.0243 0.0157 126. (0.00147) RY ( 8)Tc 1 s( 9.27%)p 2.68( 24.87%)d 1.22( 11.33%) f 5.62( 52.07%)g 0.26( 2.45%) 0.0000 0.0087 0.2967 -0.0057 -0.0675 0.0049 0.0034 0.0000 0.0171 0.0087 0.0326 0.0345 0.0000 0.2869 -0.3855 -0.0492 0.0020 0.0000 0.0561 -0.0896 0.0375 -0.0122 0.0021 0.0502 0.0719 0.0418 -0.0050 -0.0696 0.0477 0.0042 0.0047 0.0823 0.0686 0.0409 -0.0166 -0.0752 -0.0158 -0.0610 -0.0254 0.2527 -0.0876 -0.0381 -0.0321 0.0315 0.0298 0.0010 -0.6280 0.0034 -0.0514 0.0017 0.1740 -0.1610 -0.0040 0.0030 -0.0332 0.0675 0.0210 -0.0002 0.1354 -0.0481 -0.0145 0.0023 0.1083 0.0375 0.0233 0.0016 0.1521 -0.0092 0.0258 0.0032 -0.0564 0.0121 0.0239 0.0016 0.0462 0.0047 -0.0926 0.0031 0.0849 0.0045 -0.0056 -0.0037 0.0151 0.0046 -0.0477 0.0040 -0.0054 -0.0069 127. (0.00106) RY ( 9)Tc 1 s( 4.50%)p 3.55( 15.98%)d10.18( 45.79%) f 7.14( 32.10%)g 0.36( 1.63%) 0.0000 0.0074 -0.1151 0.1557 0.0835 -0.0217 0.0002 0.0000 -0.0884 0.2281 -0.0317 0.0429 0.0000 -0.1539 -0.2327 0.0355 0.0179 0.0000 0.1290 -0.0072 0.0306 -0.0004 0.0332 -0.5629 -0.0364 -0.0057 -0.0003 -0.0532 0.0164 0.0039 -0.0019 0.0815 0.0068 0.0314 0.0016 -0.0677 0.0641 -0.0597 -0.0004 -0.3381 0.0133 0.0319 -0.0832 0.0955 0.0246 0.0014 0.0137 -0.0067 -0.0796 0.0015 0.0073 0.0284 0.0161 0.0107 -0.0516 0.0418 0.0055 0.0053 -0.0075 -0.0118 0.0070 -0.0025 -0.0095 -0.1012 -0.0579 0.0093 0.4980 -0.1735 -0.0064 0.0014 0.0382 0.0014 0.0053 -0.0040 -0.0214 -0.0015 -0.0785 0.0078 0.0664 -0.0018 -0.0144 -0.0064 0.0196 0.0021 -0.0128 0.0135 -0.0399 -0.0338 128. (0.00096) RY (10)Tc 1 s( 0.34%)p64.32( 21.74%)d26.93( 9.10%) f99.99( 68.04%)g 2.33( 0.79%) 0.0000 0.0015 -0.0160 0.0435 -0.0349 -0.0035 0.0008 0.0000 -0.0449 -0.0612 -0.0141 -0.0082 0.0000 0.0910 0.0189 0.0059 -0.0220 0.0000 0.4315 0.0674 0.1069 0.0079 -0.0037 0.0561 -0.0100 0.0060 -0.0121 -0.0314 -0.0693 0.0230 0.0019 -0.2277 0.0730 0.1014 0.0095 0.0627 0.0591 0.0052 0.0027 0.0682 0.0354 -0.0178 -0.5522 0.3371 0.0378 0.0005 0.0800 -0.0278 0.0056 0.0015 0.1742 -0.0779 -0.0230 -0.0011 -0.2612 0.1081 0.0168 0.0089 -0.3126 -0.0302 -0.0203 0.0035 -0.1443 0.0107 0.0027 -0.0050 -0.1089 0.0621 -0.0120 0.0036 -0.0179 0.0019 -0.0322 -0.0021 -0.0339 -0.0071 -0.0035 0.0030 -0.0031 0.0089 -0.0634 -0.0111 -0.0131 0.0109 0.0033 -0.0021 0.0268 0.0052 129. (0.00087) RY (11)Tc 1 s( 4.51%)p 6.18( 27.86%)d 2.30( 10.38%) f11.88( 53.57%)g 0.82( 3.69%) 0.0000 -0.0088 -0.0480 0.2053 -0.0217 -0.0078 0.0042 0.0000 -0.2183 0.0193 -0.0055 -0.0089 0.0000 0.1245 -0.4456 0.0704 -0.0378 0.0000 -0.0679 0.0543 -0.0496 0.0064 0.0097 -0.1705 0.0305 0.0586 0.0069 0.0539 -0.0115 -0.0022 -0.0036 0.0127 -0.0780 -0.0086 0.0179 -0.0230 0.0764 -0.1283 -0.0012 0.1432 0.0518 -0.1202 0.1427 -0.0594 -0.0458 0.0004 0.2483 -0.1557 -0.0300 0.0045 0.0024 -0.1073 -0.0620 0.0153 -0.0219 -0.0792 -0.0513 0.0049 0.1145 -0.0252 0.0287 -0.0037 -0.4981 0.1059 -0.0001 -0.0124 -0.3002 0.1535 -0.0997 0.0132 -0.1031 0.0140 -0.0156 0.0035 0.0252 -0.0145 -0.1121 0.0112 0.0737 0.0200 0.0187 0.0087 0.0178 -0.0099 -0.0714 0.0080 0.0093 -0.0181 130. (0.00065) RY (12)Tc 1 s( 4.40%)p 8.94( 39.37%)d 2.65( 11.69%) f 8.63( 38.01%)g 1.48( 6.53%) 0.0000 0.0122 0.0138 0.1942 -0.0772 0.0011 -0.0038 0.0000 -0.0932 -0.1014 -0.0126 0.0048 0.0000 0.1769 0.0708 -0.0330 -0.0152 0.0000 -0.1878 0.5387 -0.0546 0.0923 -0.0066 0.0074 0.0976 -0.0008 0.0118 -0.0507 -0.2714 0.0245 0.0071 -0.1341 -0.0841 0.0112 0.0019 0.0019 -0.0071 0.0443 -0.0009 -0.0526 0.0159 -0.0006 -0.0161 0.1760 -0.0549 -0.0192 0.0313 0.1430 -0.0012 -0.0021 -0.0094 0.0513 0.0251 0.0008 -0.1879 0.1257 -0.0765 0.0176 0.4440 -0.1468 0.0949 -0.0227 0.1371 -0.0171 0.0490 -0.0046 0.1109 0.0267 0.0263 -0.0037 -0.0366 -0.0175 -0.1606 -0.0139 -0.1601 -0.0429 0.0258 -0.0241 -0.0624 0.0009 -0.0405 0.0078 -0.0304 -0.0203 0.0379 -0.0060 0.0220 0.0064 131. (0.00057) RY (13)Tc 1 s( 10.08%)p 3.90( 39.34%)d 1.13( 11.40%) f 3.25( 32.73%)g 0.64( 6.45%) 0.0000 0.0239 -0.0690 0.2767 -0.1357 -0.0191 -0.0102 0.0000 -0.1728 -0.2140 -0.0211 0.0080 0.0000 0.2978 0.2572 -0.0625 -0.0096 0.0000 0.0267 -0.3957 -0.0176 -0.0268 -0.0145 -0.1021 0.1413 0.0233 0.0001 0.1884 0.1142 -0.0118 -0.0034 -0.1236 0.0330 -0.0342 0.0076 0.0535 0.1002 0.0469 -0.0074 0.0118 0.0207 -0.0292 -0.2012 -0.2336 -0.0097 0.0139 -0.0203 0.1703 -0.0157 0.0035 0.0011 0.1666 0.0009 -0.0019 0.0942 -0.0258 0.0228 -0.0113 0.2017 -0.0501 -0.0184 0.0016 -0.1992 0.0456 0.0556 0.0044 0.2465 0.1178 0.0368 -0.0014 0.0116 -0.0007 0.0983 0.0190 0.0829 0.0324 0.1048 -0.0095 -0.1530 -0.0012 -0.0082 0.0132 0.0312 0.0100 0.0992 -0.0022 0.0259 0.0104 132. (0.00045) RY (14)Tc 1 s( 13.76%)p 0.95( 13.09%)d 0.74( 10.17%) f 4.51( 62.11%)g 0.06( 0.87%) 0.0000 0.0044 -0.0307 0.3444 -0.1193 0.0616 -0.0010 0.0000 -0.2635 -0.0299 0.0022 0.0004 0.0000 0.1994 -0.0782 -0.0661 0.0068 0.0000 0.0315 0.0836 -0.0290 -0.0383 0.0085 -0.0994 0.1172 -0.0140 -0.0058 -0.1090 0.0866 -0.0105 -0.0027 0.2275 -0.0519 -0.0287 -0.0017 -0.0385 0.0121 -0.0155 0.0075 -0.0076 0.0064 -0.0305 0.1223 0.1096 -0.0378 -0.0015 -0.0458 0.2347 -0.0172 -0.0023 -0.1609 0.2545 -0.0034 -0.0057 0.0602 -0.0580 -0.0082 -0.0022 -0.4602 0.1485 0.0061 0.0141 0.3699 0.0388 -0.0092 -0.0262 -0.1911 0.1642 0.0289 0.0019 0.0156 -0.0159 -0.0265 -0.0107 -0.0064 0.0059 -0.0124 -0.0191 -0.0346 0.0035 0.0307 -0.0158 -0.0552 0.0012 -0.0344 -0.0096 0.0013 0.0075 133. (0.00040) RY (15)Tc 1 s( 3.00%)p 4.01( 12.02%)d 4.83( 14.45%) f22.60( 67.68%)g 0.95( 2.85%) 0.0000 -0.0169 0.0605 0.1383 0.0817 0.0143 0.0009 0.0000 -0.0434 0.0917 0.0653 0.0520 0.0000 -0.0689 -0.1573 0.0689 0.0152 0.0000 0.0748 -0.2507 0.0026 0.0054 0.0208 -0.0471 -0.0651 -0.0534 0.0072 0.1604 0.0010 0.0083 -0.0026 -0.2426 0.0784 0.0184 -0.0057 -0.1067 0.0257 -0.0485 0.0084 -0.1686 -0.0245 -0.0062 -0.1332 -0.1495 0.0390 0.0073 0.0945 -0.1521 -0.0396 -0.0090 0.0563 0.1286 -0.0171 -0.0093 -0.1317 0.0753 0.0074 0.0028 0.2959 -0.1403 -0.0028 -0.0045 0.5157 -0.0461 -0.1328 -0.0367 -0.4006 0.0478 -0.0324 0.0061 0.0675 0.0048 0.0717 0.0157 0.0344 0.0123 -0.0328 0.0151 -0.0067 -0.0057 -0.0157 0.0196 0.0844 0.0058 -0.0770 -0.0146 0.0406 -0.0142 134. (0.00037) RY (16)Tc 1 s( 4.36%)p 5.28( 23.04%)d 0.93( 4.07%) f15.61( 68.08%)g 0.10( 0.45%) 0.0000 -0.0073 0.1146 0.1435 0.0988 -0.0081 0.0027 0.0000 -0.0879 0.0787 0.0694 0.0626 0.0000 -0.0207 -0.0104 0.0595 0.0445 0.0000 -0.4450 -0.0040 0.0604 0.0018 -0.0016 0.0093 -0.0986 -0.0259 0.0053 0.0577 -0.0571 0.0014 0.0161 -0.0055 0.1386 -0.0391 -0.0026 -0.0090 -0.0201 -0.0094 0.0002 0.0090 -0.0429 0.0092 -0.4288 0.2903 -0.0700 -0.0237 0.0131 -0.0600 -0.0105 -0.0021 -0.0077 -0.1243 0.0141 0.0037 0.6118 -0.0328 0.0076 -0.0264 -0.0029 0.0711 0.0151 0.0056 0.0140 -0.0031 -0.0578 0.0047 -0.0401 -0.0044 -0.0283 0.0027 0.0345 0.0037 -0.0367 -0.0033 -0.0060 -0.0149 0.0097 0.0056 0.0243 -0.0032 -0.0175 -0.0170 0.0016 -0.0122 -0.0037 -0.0123 0.0034 -0.0059 135. (0.00029) RY (17)Tc 1 s( 2.45%)p 6.71( 16.46%)d16.58( 40.64%) f14.65( 35.91%)g 1.85( 4.53%) 0.0000 0.0046 0.1392 -0.0210 -0.0457 -0.0505 -0.0064 0.0000 -0.0750 -0.3403 0.0305 0.0331 0.0000 -0.0058 0.0694 0.1387 0.0129 0.0000 -0.0446 0.0599 0.1010 -0.0331 0.0091 -0.0995 0.1307 -0.1051 0.0038 0.0042 0.1325 -0.0026 0.0009 0.0485 -0.1207 -0.0033 0.0057 0.0347 0.4531 0.0515 -0.0032 -0.1200 -0.3318 -0.0118 0.1663 0.0734 -0.0016 -0.0008 0.0429 -0.0923 -0.0822 -0.0057 0.3766 -0.1840 -0.0712 0.0029 0.0220 -0.1405 -0.0103 -0.0052 -0.0488 0.0180 -0.0292 0.0046 0.0398 -0.2510 -0.0783 -0.0368 -0.0826 -0.1574 0.0183 0.0157 0.0610 0.0347 -0.0110 -0.0031 -0.0268 -0.0088 0.0783 0.0262 -0.1375 -0.0007 -0.0059 -0.0049 -0.0262 -0.0045 0.0257 0.0042 0.1078 -0.0256 136. (0.00025) RY (18)Tc 1 s( 0.52%)p47.21( 24.50%)d77.07( 39.99%) f60.89( 31.60%)g 6.55( 3.40%) 0.0000 -0.0002 0.0534 0.0291 0.0305 -0.0238 0.0001 0.0000 -0.0502 -0.0948 0.0285 0.0458 0.0000 -0.0676 -0.0154 0.0784 0.0156 0.0000 0.1519 0.0264 -0.4259 0.1193 0.0002 -0.0070 0.0556 -0.0268 -0.0167 -0.1414 -0.4270 -0.0378 -0.0109 0.1779 0.3660 -0.0951 -0.0012 0.0403 0.0947 0.0078 -0.0026 0.0391 -0.0705 -0.0051 -0.1327 -0.3922 -0.1331 0.0039 0.0021 -0.0620 -0.0077 -0.0024 0.0897 -0.0067 0.0043 -0.0055 0.0505 0.0969 -0.1029 0.0341 -0.0715 0.1904 0.2071 0.0003 -0.0020 -0.0527 -0.0237 -0.0104 0.0020 -0.0574 -0.0059 0.0009 0.0502 0.0017 -0.0674 0.0034 0.0387 -0.0409 0.0085 0.0019 -0.0007 -0.0073 0.0178 0.0003 -0.1482 -0.0186 0.0173 -0.0060 0.0234 -0.0094 137. (0.00022) RY (19)Tc 1 s( 14.52%)p 1.35( 19.61%)d 1.60( 23.26%) f 2.80( 40.60%)g 0.14( 2.01%) 0.0000 -0.0181 0.3008 0.1253 0.1895 -0.0525 -0.0020 0.0000 -0.2445 0.0657 0.1570 0.0748 0.0000 0.2597 -0.0480 -0.1501 0.0336 0.0000 0.0816 -0.0295 0.0268 -0.0103 -0.0066 0.2318 0.0059 -0.0263 -0.0010 -0.0118 0.0269 0.0046 -0.0008 -0.0389 -0.0102 0.0106 0.0000 0.0445 -0.3318 0.0854 -0.0038 0.0146 -0.2341 0.0340 0.1094 -0.0772 0.0320 0.0074 0.4177 -0.0605 0.0579 -0.0074 0.0211 -0.1333 -0.0050 -0.0060 -0.0599 -0.0519 0.0273 0.0015 -0.0888 -0.0210 -0.0109 0.0053 0.0579 0.1205 -0.0780 -0.0047 0.2455 -0.2827 -0.0861 -0.0068 0.1202 -0.0079 0.0402 -0.0022 -0.0227 0.0097 0.0147 0.0167 0.0163 -0.0209 0.0115 -0.0001 -0.0051 0.0051 0.0042 0.0045 -0.0436 0.0022 138. (0.00017) RY (20)Tc 1 s( 26.11%)p 0.59( 15.52%)d 0.90( 23.41%) f 1.23( 32.10%)g 0.11( 2.86%) 0.0000 -0.0032 0.1153 0.4661 0.1624 -0.0639 -0.0100 0.0000 -0.0073 0.0149 0.1408 0.1217 0.0000 -0.2029 0.1607 0.1876 0.0785 0.0000 0.0404 0.0575 0.0803 -0.0240 -0.0119 0.0741 -0.3031 -0.0803 -0.0052 -0.0250 -0.0324 -0.0014 -0.0039 0.0797 -0.2319 -0.0300 -0.0060 0.1415 -0.1142 0.0359 -0.0103 0.1656 0.0566 0.0479 -0.0039 -0.0933 -0.0210 0.0159 -0.2808 -0.1773 -0.0344 0.0021 -0.0712 0.0306 0.0256 -0.0119 -0.1896 -0.1670 -0.0033 0.0038 -0.0079 0.0197 0.0002 -0.0036 -0.1178 -0.2581 -0.1294 0.0272 0.0262 0.1415 -0.1014 -0.0084 0.0110 0.0214 0.0398 -0.0056 -0.0225 -0.0066 0.1032 0.0081 -0.0373 -0.0057 -0.0267 0.0043 -0.0349 -0.0072 0.0764 -0.0352 -0.0659 -0.0165 139. (0.00013) RY (21)Tc 1 s( 2.78%)p 3.27( 9.08%)d12.62( 35.07%) f17.78( 49.39%)g 1.32( 3.67%) 0.0000 -0.0066 0.0573 0.1561 -0.0072 -0.0051 0.0011 0.0000 -0.0879 -0.1814 -0.1166 -0.0935 0.0000 0.1080 0.0914 0.0379 -0.0364 0.0000 0.0588 -0.0302 -0.0076 0.0257 -0.0074 0.0011 -0.1856 -0.0922 0.0054 -0.0182 0.0804 -0.0242 0.0128 -0.2330 0.2975 0.1310 0.0001 -0.0397 0.0533 0.0549 -0.0062 -0.0128 0.3639 0.0113 0.3722 0.1658 0.0736 -0.0210 -0.0094 -0.2265 -0.0165 -0.0079 -0.0645 -0.1437 -0.0690 -0.0115 0.1093 0.3799 0.1372 0.0010 0.0069 0.2105 0.0296 0.0197 0.0172 -0.1039 -0.0647 -0.0154 0.0593 -0.0177 0.0217 0.0068 -0.0027 0.0158 -0.0091 -0.0009 0.0297 0.0239 0.0347 0.0286 0.0458 -0.0044 0.1373 -0.0190 -0.0603 0.0577 0.0000 0.0093 -0.0672 -0.0020 140. (0.00012) RY (22)Tc 1 s( 0.41%)p64.19( 26.27%)d45.98( 18.81%) f99.99( 50.94%)g 8.73( 3.57%) 0.0000 -0.0044 0.0283 -0.0194 0.0426 0.0328 0.0029 0.0000 -0.1670 -0.2689 -0.1808 -0.1308 0.0000 -0.3084 -0.0132 -0.1260 -0.0245 0.0000 -0.0268 0.0016 -0.0075 -0.0101 -0.0114 -0.2127 0.2529 -0.0177 -0.0021 -0.0045 -0.0005 0.0209 0.0015 -0.0355 -0.0661 -0.0148 -0.0090 0.1200 -0.0580 0.0548 -0.0159 0.2208 0.0301 -0.0378 -0.1076 -0.0693 0.0045 0.0000 0.0308 -0.3077 0.0949 -0.0036 -0.2338 -0.3404 -0.0777 -0.0224 -0.0364 -0.1107 -0.0245 -0.0012 -0.0448 -0.1007 -0.0647 -0.0095 0.2967 0.1639 0.0943 0.0107 0.1531 0.1824 0.0063 0.0044 -0.1210 0.0066 0.0054 0.0049 0.0118 -0.0036 0.0728 0.0220 0.0504 -0.0170 -0.0089 0.0136 0.0186 -0.0076 0.0920 -0.0250 0.0340 0.0362 141. (0.00010) RY (23)Tc 1 s( 1.62%)p 8.17( 13.20%)d31.38( 50.69%) f19.24( 31.08%)g 2.12( 3.42%) 0.0000 0.0081 -0.0454 0.0805 0.0320 0.0799 -0.0121 0.0000 -0.0135 0.0849 0.1326 0.1027 0.0000 -0.2762 -0.0479 -0.0335 0.1058 0.0000 0.0164 -0.0372 -0.0567 0.0262 -0.0024 -0.0518 0.1094 0.0778 0.0046 0.0092 0.0166 0.0312 0.0068 -0.2061 0.2139 0.1196 -0.0013 0.1405 -0.0303 0.0152 0.0035 0.1225 -0.5884 0.0112 0.1792 0.1540 0.1068 -0.0005 -0.0500 0.1268 0.1118 0.0168 -0.1734 0.0501 -0.0263 0.0031 0.0066 0.2453 0.1458 0.0034 0.0213 -0.0115 -0.0014 0.0069 -0.1372 -0.0935 0.1128 0.0056 -0.0230 0.2250 0.0718 -0.0122 0.0879 0.0054 -0.0355 0.0023 0.0232 0.0330 -0.0497 -0.0063 -0.1100 -0.0183 0.0319 -0.0018 -0.0108 0.0561 0.0458 -0.0386 -0.0232 0.0131 142. (0.00008) RY (24)Tc 1 s( 3.69%)p 3.53( 13.04%)d10.48( 38.71%) f10.01( 37.00%)g 2.05( 7.56%) 143. (0.00006) RY (25)Tc 1 s( 2.59%)p 4.50( 11.64%)d 9.07( 23.45%) f21.46( 55.52%)g 2.63( 6.80%) 144. (0.00005) RY (26)Tc 1 s( 1.09%)p 8.00( 8.73%)d23.92( 26.12%) f47.17( 51.50%)g11.49( 12.55%) 145. (0.00004) RY (27)Tc 1 s( 4.92%)p 3.38( 16.65%)d 2.95( 14.51%) f10.32( 50.77%)g 2.67( 13.15%) 146. (0.00003) RY (28)Tc 1 s( 11.02%)p 1.16( 12.79%)d 1.25( 13.76%) f 4.44( 48.89%)g 1.23( 13.55%) 147. (0.00003) RY (29)Tc 1 s( 5.58%)p 3.22( 17.96%)d 4.44( 24.76%) f 6.37( 35.55%)g 2.89( 16.14%) 148. (0.00002) RY (30)Tc 1 s( 1.98%)p 2.71( 5.37%)d10.79( 21.39%) f25.02( 49.60%)g10.92( 21.66%) 149. (0.00002) RY (31)Tc 1 s( 1.88%)p 7.97( 14.99%)d 8.40( 15.80%) f30.76( 57.86%)g 5.04( 9.47%) 150. (0.00001) RY (32)Tc 1 s( 2.55%)p 4.05( 10.31%)d 8.71( 22.17%) f13.88( 35.34%)g11.64( 29.62%) 151. (0.00001) RY (33)Tc 1 s( 1.57%)p11.20( 17.55%)d 9.99( 15.65%) f24.92( 39.06%)g16.70( 26.17%) 152. (0.00001) RY (34)Tc 1 s( 4.62%)p 6.50( 30.07%)d 0.69( 3.18%) f 8.32( 38.45%)g 5.12( 23.67%) 153. (0.00000) RY (35)Tc 1 s( 9.67%)p 1.63( 15.79%)d 2.21( 21.35%) f 3.84( 37.12%)g 1.66( 16.07%) 154. (0.00000) RY (36)Tc 1 s( 1.92%)p11.67( 22.45%)d 8.28( 15.92%) f15.22( 29.28%)g15.82( 30.42%) 155. (0.00001) RY (37)Tc 1 s( 10.40%)p 1.65( 17.12%)d 2.19( 22.76%) f 2.96( 30.80%)g 1.82( 18.92%) 156. (0.00001) RY (38)Tc 1 s( 2.72%)p 5.81( 15.80%)d 7.04( 19.14%) f18.89( 51.37%)g 4.03( 10.97%) 157. (0.00000) RY (39)Tc 1 s( 5.33%)p 1.63( 8.69%)d 4.01( 21.37%) f 8.76( 46.69%)g 3.36( 17.92%) 158. (0.00000) RY (40)Tc 1 s( 4.36%)p 1.13( 4.90%)d 7.39( 32.19%) f 9.64( 41.98%)g 3.80( 16.58%) 159. (0.00000) RY (41)Tc 1 s( 2.07%)p14.12( 29.22%)d 9.02( 18.66%) f18.14( 37.54%)g 6.04( 12.51%) 160. (0.00000) RY (42)Tc 1 s( 13.99%)p 2.31( 32.30%)d 1.08( 15.08%) f 2.02( 28.29%)g 0.74( 10.34%) 161. (0.00000) RY (43)Tc 1 s( 1.49%)p 8.99( 13.41%)d11.96( 17.85%) f26.79( 39.99%)g18.26( 27.25%) 162. (0.00000) RY (44)Tc 1 s( 4.11%)p 1.64( 6.76%)d12.99( 53.40%) f 4.84( 19.89%)g 3.85( 15.84%) 163. (0.00000) RY (45)Tc 1 s( 1.36%)p 1.44( 1.97%)d 3.64( 4.95%) f11.87( 16.16%)g55.52( 75.56%) 164. (0.00000) RY (46)Tc 1 s( 10.51%)p 0.20( 2.08%)d 0.36( 3.83%) f 2.76( 28.98%)g 5.20( 54.60%) 165. (0.00000) RY (47)Tc 1 s( 9.99%)p 0.25( 2.49%)d 0.25( 2.50%) f 1.19( 11.90%)g 7.32( 73.11%) 166. (0.00000) RY (48)Tc 1 s( 5.04%)p 0.41( 2.04%)d 0.10( 0.51%) f 2.55( 12.86%)g15.79( 79.56%) 167. (0.00000) RY (49)Tc 1 s( 5.55%)p 0.41( 2.28%)d 0.44( 2.42%) f 5.95( 33.03%)g10.23( 56.73%) 168. (0.00000) RY (50)Tc 1 s( 7.50%)p 0.10( 0.77%)d 0.66( 4.96%) f 3.21( 24.07%)g 8.36( 62.69%) 169. (0.00000) RY (51)Tc 1 s( 24.62%)p 0.28( 6.91%)d 0.15( 3.67%) f 0.90( 22.07%)g 1.74( 42.74%) 170. (0.00000) RY (52)Tc 1 s( 13.26%)p 0.37( 4.85%)d 0.48( 6.34%) f 2.58( 34.19%)g 3.12( 41.36%) 171. (0.00000) RY (53)Tc 1 s( 6.32%)p 1.23( 7.79%)d 0.67( 4.25%) f 4.77( 30.16%)g 8.15( 51.49%) 172. (0.00000) RY (54)Tc 1 s( 1.26%)p 1.03( 1.30%)d 2.14( 2.70%) f47.01( 59.42%)g27.94( 35.31%) 173. (0.00000) RY (55)Tc 1 s( 2.09%)p 2.36( 4.92%)d 3.03( 6.33%) f20.79( 43.41%)g20.72( 43.25%) 174. (0.00000) RY (56)Tc 1 s( 4.60%)p 0.76( 3.48%)d 2.03( 9.32%) f 7.20( 33.08%)g10.78( 49.53%) 175. (0.00000) RY (57)Tc 1 s( 16.22%)p 0.35( 5.70%)d 0.65( 10.62%) f 2.23( 36.09%)g 1.93( 31.38%) 176. (0.00000) RY (58)Tc 1 s( 3.70%)p 1.54( 5.72%)d 4.70( 17.40%) f 7.39( 27.36%)g12.37( 45.81%) 177. (0.00000) RY (59)Tc 1 s( 0.50%)p12.17( 6.12%)d18.49( 9.30%) f49.03( 24.67%)g99.99( 59.40%) 178. (0.00000) RY (60)Tc 1 s( 0.67%)p 4.99( 3.36%)d 7.42( 4.99%) f48.05( 32.30%)g87.29( 58.68%) 179. (0.00000) RY (61)Tc 1 s( 4.86%)p 3.56( 17.30%)d 2.99( 14.53%) f 6.65( 32.31%)g 6.38( 30.99%) 180. (0.00000) RY (62)Tc 1 s( 7.30%)p 2.41( 17.62%)d 1.52( 11.08%) f 2.45( 17.92%)g 6.31( 46.07%) 181. (0.00000) RY (63)Tc 1 s( 1.45%)p 6.26( 9.09%)d16.92( 24.57%) f24.97( 36.27%)g19.71( 28.62%) 182. (0.00000) RY (64)Tc 1 s( 5.68%)p 2.44( 13.84%)d 1.42( 8.07%) f 5.25( 29.79%)g 7.51( 42.62%) 183. (0.00000) RY (65)Tc 1 s( 4.68%)p 2.56( 11.95%)d 2.20( 10.29%) f 6.60( 30.88%)g 9.02( 42.19%) 184. (0.00000) RY (66)Tc 1 s( 6.67%)p 3.15( 21.05%)d 1.81( 12.06%) f 3.99( 26.60%)g 5.04( 33.62%) 185. (0.00000) RY (67)Tc 1 s( 1.95%)p 5.07( 9.88%)d 7.53( 14.67%) f14.79( 28.82%)g22.92( 44.67%) 186. (0.00000) RY (68)Tc 1 s( 4.22%)p 1.96( 8.27%)d 5.18( 21.88%) f 6.47( 27.33%)g 9.07( 38.29%) 187. (0.00000) RY (69)Tc 1 s( 12.45%)p 0.62( 7.73%)d 0.65( 8.14%) f 3.46( 43.11%)g 2.29( 28.57%) 188. (0.00000) RY (70)Tc 1 s( 5.90%)p 1.26( 7.46%)d 1.59( 9.38%) f 7.85( 46.37%)g 5.23( 30.89%) 189. (0.00000) RY (71)Tc 1 s( 3.17%)p 7.29( 23.15%)d 6.12( 19.44%) f10.54( 33.46%)g 6.54( 20.78%) 190. (0.00000) RY (72)Tc 1 s( 8.74%)p 2.12( 18.50%)d 1.91( 16.72%) f 4.83( 42.21%)g 1.58( 13.82%) 191. (0.00000) RY (73)Tc 1 s( 6.79%)p 5.18( 35.17%)d 1.72( 11.67%) f 4.18( 28.39%)g 2.65( 17.98%) 192. (0.00000) RY (74)Tc 1 s( 23.47%)p 1.11( 25.95%)d 0.53( 12.42%) f 1.11( 26.17%)g 0.51( 12.00%) 193. (0.00000) RY (75)Tc 1 s( 5.43%)p11.16( 60.58%)d 2.47( 13.42%) f 2.00( 10.84%)g 1.79( 9.74%) 194. (0.00000) RY (76)Tc 1 s( 4.95%)p 1.45( 7.19%)d 1.96( 9.69%) f 9.40( 46.52%)g 6.39( 31.64%) 195. (0.00000) RY (77)Tc 1 s( 26.29%)p 0.42( 11.04%)d 0.39( 10.38%) f 0.98( 25.86%)g 1.01( 26.43%) 196. (0.00000) RY (78)Tc 1 s( 0.33%)p18.26( 6.07%)d71.21( 23.67%) f99.99( 42.29%)g83.20( 27.65%) 197. (0.00540) RY ( 1) S 2 s( 2.97%)p 6.39( 18.94%)d25.93( 76.90%) f 0.37( 1.10%)g 0.03( 0.08%) 0.0000 0.0000 -0.0049 0.1721 0.0016 0.0021 0.0005 -0.0001 0.0000 0.0000 0.0414 0.0839 0.0220 -0.0060 0.0002 0.0000 -0.0066 -0.3823 0.0327 0.0067 -0.0002 0.0000 0.0122 -0.1787 0.0273 0.0047 -0.0003 0.1737 0.0214 -0.0017 -0.0011 0.4518 0.1299 0.0011 0.0000 -0.2908 -0.0717 -0.0032 0.0013 0.5787 0.1222 0.0131 -0.0013 -0.2741 -0.0501 -0.0018 0.0006 0.0015 -0.0003 0.0320 0.0517 -0.0138 -0.0366 0.0106 0.0392 0.0298 0.0204 -0.0468 -0.0221 -0.0018 0.0136 0.0128 -0.0049 -0.0073 0.0051 0.0081 0.0058 0.0035 0.0210 0.0005 198. (0.00234) RY ( 2) S 2 s( 1.14%)p11.60( 13.20%)d71.41( 81.26%) f 3.66( 4.17%)g 0.20( 0.23%) 0.0000 0.0000 0.0037 0.1066 -0.0002 -0.0031 0.0004 0.0003 0.0001 0.0000 -0.0839 0.2574 0.0074 0.0099 0.0004 0.0000 0.0006 0.2323 0.0505 -0.0056 0.0002 0.0000 -0.0195 -0.0332 0.0208 0.0100 0.0005 0.6750 0.1324 0.0018 -0.0018 0.4083 0.0131 0.0057 -0.0016 0.3204 0.0707 0.0145 -0.0049 -0.2087 -0.0323 -0.0202 0.0014 0.1393 -0.0030 0.0135 -0.0008 0.0607 0.0089 0.0627 -0.0134 0.0510 0.0581 -0.0733 -0.0743 0.0476 0.0418 -0.0469 -0.0365 -0.0697 -0.0675 -0.0107 -0.0089 0.0182 -0.0187 0.0124 -0.0051 -0.0142 0.0186 0.0265 199. (0.00170) RY ( 3) S 2 s( 3.47%)p14.70( 51.00%)d12.57( 43.60%) f 0.54( 1.87%)g 0.02( 0.05%) 0.0000 0.0000 0.0064 0.1860 -0.0030 -0.0052 -0.0013 0.0001 0.0002 0.0000 -0.0458 0.0986 0.0195 0.0223 0.0002 0.0000 0.0004 -0.4219 -0.0040 0.0124 0.0002 0.0000 0.0042 0.5499 0.1295 -0.0021 -0.0001 -0.2055 -0.0281 0.0050 0.0023 0.3233 -0.0463 0.0347 -0.0011 -0.0592 -0.0234 0.0095 0.0012 -0.1588 -0.0558 -0.0072 -0.0008 0.4240 0.2693 0.0164 -0.0025 -0.0018 0.0781 -0.0278 0.0508 0.0327 0.0167 -0.0290 0.0060 0.0552 -0.0290 -0.0063 0.0253 0.0412 -0.0282 0.0012 0.0169 0.0105 0.0026 0.0049 -0.0060 -0.0052 -0.0035 -0.0060 200. (0.00132) RY ( 4) S 2 s( 2.80%)p14.48( 40.57%)d19.60( 54.91%) f 0.57( 1.59%)g 0.05( 0.13%) 0.0000 0.0000 -0.0054 0.1672 0.0065 0.0001 0.0004 -0.0001 0.0000 0.0000 0.0258 -0.4975 -0.0358 0.0202 0.0000 0.0000 0.0065 -0.3193 0.0790 -0.0004 0.0009 0.0000 -0.0064 0.2081 -0.0648 0.0028 -0.0007 0.4926 0.1927 -0.0207 -0.0007 -0.3858 -0.2749 0.0237 -0.0021 0.0079 0.0122 0.0027 -0.0003 0.1068 0.1191 -0.0128 -0.0008 0.1090 -0.0760 0.0169 0.0000 -0.0268 -0.0436 -0.0420 -0.0234 0.0036 0.0215 0.0083 0.0632 -0.0080 0.0038 -0.0198 -0.0487 -0.0367 -0.0471 -0.0041 0.0024 -0.0040 -0.0028 -0.0180 -0.0186 0.0034 0.0184 0.0143 201. (0.00053) RY ( 5) S 2 s( 32.11%)p 0.66( 21.21%)d 1.36( 43.83%) f 0.08( 2.49%)g 0.01( 0.35%) 0.0000 0.0000 -0.0067 0.5613 0.0769 0.0077 0.0002 0.0003 0.0004 0.0000 0.0624 0.1281 0.2148 0.0130 0.0003 0.0000 -0.0041 0.2556 0.1278 0.0001 -0.0005 0.0000 -0.0033 0.2335 0.0849 0.0457 -0.0001 -0.1856 0.1689 -0.0107 0.0000 -0.2152 0.1891 0.0135 0.0026 0.3454 0.1279 0.0032 -0.0051 0.3834 -0.0816 0.0378 -0.0018 -0.0467 -0.0038 0.0006 0.0014 0.0081 -0.0523 0.0473 0.0314 0.0815 0.0427 0.0270 0.0203 -0.0258 0.0666 -0.0173 -0.0276 0.0344 0.0442 -0.0144 0.0283 0.0117 -0.0177 0.0240 -0.0225 0.0191 -0.0131 -0.0205 202. (0.00033) RY ( 6) S 2 s( 1.30%)p 9.04( 11.73%)d62.55( 81.11%) f 4.27( 5.53%)g 0.26( 0.33%) 0.0000 0.0000 0.0107 -0.0565 0.0973 0.0139 -0.0003 0.0008 -0.0001 0.0000 -0.0022 0.2196 -0.0968 -0.0213 0.0005 0.0000 0.0211 -0.0772 -0.0827 0.0110 0.0001 0.0000 0.0103 0.0887 0.1941 0.0139 -0.0004 0.3356 -0.2017 0.0361 0.0027 -0.4043 0.4371 -0.0353 0.0028 -0.1611 -0.0108 0.0071 -0.0001 -0.0158 -0.0604 0.0252 -0.0126 -0.1519 0.4966 -0.0124 0.0088 -0.1528 0.1394 -0.0058 0.0081 0.0387 0.0080 0.0097 -0.0247 0.0756 0.0013 -0.0196 0.0332 -0.0529 0.0129 0.0001 -0.0201 0.0187 0.0250 0.0037 0.0257 -0.0160 -0.0261 0.0190 203. (0.00028) RY ( 7) S 2 s( 0.05%)p99.99( 35.40%)d99.99( 59.97%) f87.75( 4.40%)g 3.69( 0.19%) 0.0000 0.0000 0.0103 0.0143 0.0122 -0.0058 0.0028 -0.0004 0.0000 0.0000 -0.0214 0.5078 0.1783 -0.0015 0.0003 0.0000 0.0213 -0.1141 0.1624 -0.0117 0.0005 0.0000 -0.0008 -0.1041 -0.1138 0.0133 -0.0012 0.0357 0.3321 -0.0347 0.0047 -0.2811 0.1061 0.0022 0.0042 -0.4226 0.0642 -0.0238 0.0090 -0.1279 0.1012 0.0147 0.0001 0.3142 -0.2959 -0.0001 -0.0005 0.0686 -0.0982 -0.0165 0.0229 -0.0001 -0.0538 -0.0050 0.0873 -0.0247 0.0508 0.1128 -0.0476 -0.0103 0.0004 -0.0098 0.0128 -0.0176 0.0179 0.0101 -0.0246 0.0011 -0.0115 0.0109 204. (0.00020) RY ( 8) S 2 s( 8.01%)p 2.09( 16.74%)d 8.50( 68.11%) f 0.87( 6.97%)g 0.02( 0.17%) 0.0000 0.0000 0.0133 0.2818 -0.0221 -0.0082 0.0020 -0.0008 0.0003 0.0000 -0.0054 -0.1080 -0.1149 0.0011 0.0018 0.0000 0.0135 0.2405 0.1828 -0.0064 -0.0008 0.0000 0.0514 0.2157 0.0411 -0.0137 0.0010 0.0135 0.0901 -0.0211 -0.0006 0.1310 -0.1572 -0.0096 0.0074 -0.4830 0.3068 -0.0600 0.0138 -0.3010 -0.1320 -0.0067 0.0027 -0.4296 0.0523 -0.0586 0.0179 -0.0145 -0.0509 0.0707 0.0003 -0.0266 -0.0567 0.1497 -0.0749 0.0336 0.0056 0.1310 -0.0979 -0.0161 -0.0427 0.0086 0.0257 0.0071 0.0142 0.0196 -0.0052 -0.0008 -0.0141 -0.0085 205. (0.00019) RY ( 9) S 2 s( 2.03%)p14.90( 30.30%)d31.12( 63.30%) f 1.96( 3.99%)g 0.18( 0.37%) 0.0000 0.0000 0.0033 0.1298 -0.0545 -0.0225 -0.0019 -0.0004 0.0001 0.0000 -0.0044 0.2930 0.1423 0.0160 -0.0014 0.0000 -0.0264 -0.3639 -0.2099 0.0404 -0.0017 0.0000 0.0094 -0.0207 0.1242 -0.0431 0.0011 -0.0515 0.1424 -0.0250 -0.0060 -0.0985 -0.2321 0.0814 -0.0017 0.3060 -0.2104 0.0155 -0.0044 -0.3314 0.1149 -0.0246 0.0134 -0.5263 -0.0139 -0.0116 -0.0009 -0.0194 -0.0742 -0.0768 -0.0031 -0.0027 -0.0357 -0.0462 0.0847 -0.0630 0.0036 0.0831 -0.0507 -0.0571 0.0284 0.0066 0.0326 -0.0118 0.0172 0.0051 -0.0179 0.0342 0.0253 -0.0036 206. (0.00013) RY (10) S 2 s( 3.64%)p 5.50( 20.02%)d17.46( 63.51%) f 3.41( 12.42%)g 0.12( 0.42%) 0.0000 0.0000 0.0034 0.0862 0.1600 0.0576 -0.0034 -0.0017 -0.0005 0.0000 -0.0071 -0.0027 0.1510 -0.0499 0.0030 0.0000 0.0017 0.1918 -0.2015 0.0152 -0.0012 0.0000 0.0061 0.2889 -0.1141 0.0249 -0.0032 0.0861 -0.4531 0.0214 -0.0136 0.0444 0.0775 0.0000 -0.0079 -0.0629 0.0216 0.0439 0.0005 -0.0460 0.5939 0.0177 0.0205 -0.0209 -0.2232 0.0361 -0.0139 0.0260 -0.0384 -0.1381 0.1423 -0.0198 -0.0055 -0.0646 0.0703 0.0638 -0.0117 0.2124 -0.0871 -0.0632 0.1107 0.0081 -0.0275 -0.0129 -0.0074 -0.0015 0.0441 -0.0002 -0.0053 -0.0342 207. (0.00008) RY (11) S 2 s( 7.22%)p 2.80( 20.20%)d 8.55( 61.77%) f 1.43( 10.33%)g 0.07( 0.49%) 208. (0.00003) RY (12) S 2 s( 6.29%)p 3.37( 21.22%)d 7.98( 50.19%) f 3.42( 21.52%)g 0.12( 0.77%) 209. (0.00003) RY (13) S 2 s( 15.07%)p 2.37( 35.64%)d 2.90( 43.75%) f 0.33( 5.00%)g 0.04( 0.54%) 210. (0.00002) RY (14) S 2 s( 10.17%)p 5.30( 53.89%)d 1.71( 17.42%) f 1.70( 17.25%)g 0.13( 1.27%) 211. (0.00002) RY (15) S 2 s( 8.50%)p 3.60( 30.59%)d 1.32( 11.22%) f 5.51( 46.83%)g 0.34( 2.86%) 212. (0.00001) RY (16) S 2 s( 6.35%)p 6.88( 43.73%)d 2.74( 17.40%) f 4.62( 29.32%)g 0.50( 3.20%) 213. (0.00001) RY (17) S 2 s( 1.57%)p 7.86( 12.35%)d12.37( 19.43%) f38.92( 61.11%)g 3.53( 5.55%) 214. (0.00001) RY (18) S 2 s( 17.96%)p 0.83( 14.90%)d 1.63( 29.34%) f 1.98( 35.53%)g 0.13( 2.27%) 215. (0.00000) RY (19) S 2 s( 0.42%)p32.63( 13.76%)d42.41( 17.88%) f99.99( 61.83%)g14.51( 6.12%) 216. (0.00000) RY (20) S 2 s( 0.54%)p20.75( 11.15%)d31.44( 16.90%) f99.99( 63.94%)g13.91( 7.48%) 217. (0.00000) RY (21) S 2 s( 17.48%)p 0.59( 10.28%)d 1.09( 19.10%) f 1.34( 23.36%)g 1.70( 29.79%) 218. (0.00000) RY (22) S 2 s( 3.30%)p 2.15( 7.09%)d11.49( 37.91%) f 5.09( 16.78%)g10.59( 34.92%) 219. (0.00000) RY (23) S 2 s( 3.58%)p 2.73( 9.79%)d13.18( 47.26%) f 5.57( 19.96%)g 5.42( 19.42%) 220. (0.00000) RY (24) S 2 s( 12.14%)p 0.28( 3.37%)d 1.38( 16.76%) f 2.24( 27.20%)g 3.34( 40.53%) 221. (0.00000) RY (25) S 2 s( 2.60%)p 2.70( 7.00%)d 6.08( 15.78%) f11.31( 29.35%)g17.44( 45.27%) 222. (0.00000) RY (26) S 2 s( 1.06%)p 3.14( 3.33%)d40.64( 43.07%) f25.02( 26.51%)g24.58( 26.04%) 223. (0.00000) RY (27) S 2 s( 6.70%)p 2.45( 16.40%)d 3.79( 25.37%) f 5.51( 36.87%)g 2.19( 14.66%) 224. (0.00000) RY (28) S 2 s( 1.24%)p12.18( 15.08%)d20.64( 25.55%) f25.22( 31.21%)g21.74( 26.91%) 225. (0.00000) RY (29) S 2 s( 5.87%)p 3.09( 18.13%)d 2.94( 17.28%) f 6.92( 40.59%)g 3.09( 18.13%) 226. (0.00000) RY (30) S 2 s( 3.38%)p 5.07( 17.16%)d12.07( 40.82%) f 7.16( 24.21%)g 4.27( 14.43%) 227. (0.00000) RY (31) S 2 s( 4.88%)p 4.19( 20.43%)d 3.94( 19.22%) f 5.24( 25.55%)g 6.13( 29.91%) 228. (0.00000) RY (32) S 2 s( 5.61%)p 4.80( 26.90%)d 1.65( 9.27%) f 6.68( 37.45%)g 3.70( 20.77%) 229. (0.00000) RY (33) S 2 s( 6.60%)p 2.40( 15.82%)d 1.40( 9.22%) f 4.34( 28.64%)g 6.02( 39.72%) 230. (0.00000) RY (34) S 2 s( 3.33%)p 3.26( 10.87%)d13.23( 44.06%) f 8.66( 28.83%)g 3.88( 12.91%) 231. (0.00000) RY (35) S 2 s( 6.39%)p 2.05( 13.11%)d 5.64( 36.04%) f 4.68( 29.93%)g 2.27( 14.52%) 232. (0.00000) RY (36) S 2 s( 7.46%)p 4.20( 31.37%)d 3.83( 28.55%) f 3.47( 25.89%)g 0.90( 6.72%) 233. (0.00000) RY (37) S 2 s( 5.78%)p 2.60( 15.02%)d 6.65( 38.44%) f 6.64( 38.35%)g 0.42( 2.41%) 234. (0.00000) RY (38) S 2 s( 0.91%)p 8.29( 7.55%)d45.95( 41.88%) f50.56( 46.08%)g 3.92( 3.57%) 235. (0.00000) RY (39) S 2 s( 6.86%)p 2.90( 19.86%)d 4.71( 32.31%) f 5.03( 34.48%)g 0.95( 6.49%) 236. (0.00000) RY (40) S 2 s( 1.25%)p 5.87( 7.36%)d39.13( 49.07%) f29.89( 37.48%)g 3.86( 4.84%) 237. (0.00000) RY (41) S 2 s( 20.52%)p 0.58( 11.90%)d 1.64( 33.68%) f 1.44( 29.44%)g 0.22( 4.46%) 238. (0.00000) RY (42) S 2 s( 2.24%)p10.06( 22.55%)d17.99( 40.32%) f13.21( 29.62%)g 2.35( 5.27%) 239. (0.00000) RY (43) S 2 s( 3.35%)p 1.77( 5.94%)d 5.98( 20.04%) f19.88( 66.66%)g 1.19( 4.01%) 240. (0.00000) RY (44) S 2 s( 0.66%)p36.27( 23.87%)d30.85( 20.30%) f69.13( 45.49%)g14.70( 9.67%) 241. (0.00000) RY (45) S 2 s( 25.07%)p 0.79( 19.77%)d 0.72( 18.05%) f 1.41( 35.30%)g 0.07( 1.80%) 242. (0.00000) RY (46) S 2 s( 98.65%)p 0.01( 1.12%)d 0.00( 0.11%) f 0.00( 0.04%)g 0.00( 0.08%) 243. (0.00000) RY (47) S 2 s( 95.29%)p 0.03( 2.94%)d 0.01( 1.32%) f 0.00( 0.17%)g 0.00( 0.27%) 244. (0.00000) RY (48) S 2 s( 1.98%)p47.18( 93.41%)d 1.88( 3.71%) f 0.15( 0.29%)g 0.31( 0.60%) 245. (0.00000) RY (49) S 2 s( 22.30%)p 1.61( 35.87%)d 1.51( 33.70%) f 0.10( 2.30%)g 0.26( 5.82%) 246. (0.00000) RY (50) S 2 s( 1.50%)p17.22( 25.82%)d10.86( 16.29%) f 4.42( 6.62%)g33.20( 49.77%) 247. (0.00000) RY (51) S 2 s( 2.55%)p26.01( 66.32%)d 5.88( 15.01%) f 0.94( 2.39%)g 5.39( 13.74%) 248. (0.00000) RY (52) S 2 s( 16.71%)p 1.42( 23.72%)d 1.20( 19.97%) f 0.64( 10.76%)g 1.73( 28.84%) 249. (0.00000) RY (53) S 2 s( 10.76%)p 1.36( 14.64%)d 4.99( 53.66%) f 0.33( 3.55%)g 1.62( 17.39%) 250. (0.00000) RY (54) S 2 s( 22.32%)p 0.27( 5.96%)d 0.53( 11.83%) f 0.63( 13.95%)g 2.06( 45.94%) 251. (0.00000) RY (55) S 2 s( 4.97%)p 0.16( 0.81%)d 9.40( 46.70%) f 2.21( 10.98%)g 7.36( 36.55%) 252. (0.00000) RY (56) S 2 s( 0.24%)p50.59( 12.27%)d92.05( 22.33%) f98.64( 23.93%)g99.99( 41.23%) 253. (0.00000) RY (57) S 2 s( 8.64%)p 0.93( 8.03%)d 4.82( 41.62%) f 0.53( 4.56%)g 4.30( 37.16%) 254. (0.00000) RY (58) S 2 s( 1.59%)p 5.96( 9.49%)d13.07( 20.79%) f22.25( 35.41%)g20.56( 32.72%) 255. (0.00000) RY (59) S 2 s( 14.02%)p 0.29( 4.14%)d 0.46( 6.46%) f 3.02( 42.38%)g 2.35( 33.00%) 256. (0.00000) RY (60) S 2 s( 8.26%)p 0.89( 7.36%)d 4.01( 33.10%) f 2.40( 19.86%)g 3.81( 31.43%) 257. (0.00000) RY (61) S 2 s( 0.26%)p52.36( 13.76%)d77.50( 20.37%) f38.93( 10.23%)g99.99( 55.38%) 258. (0.00811) RY ( 1) S 3 s( 8.59%)p 0.23( 1.98%)d10.17( 87.35%) f 0.23( 1.94%)g 0.02( 0.15%) 0.0000 0.0000 -0.0181 0.2918 0.0204 -0.0019 -0.0005 0.0001 0.0000 0.0000 -0.0185 -0.0930 0.0055 -0.0011 -0.0004 0.0000 0.0228 0.0048 -0.0320 -0.0074 0.0003 0.0000 -0.0272 -0.0819 0.0404 0.0065 -0.0003 0.3544 0.0112 0.0052 -0.0009 -0.7442 -0.0254 -0.0136 0.0010 -0.0340 -0.0085 -0.0067 -0.0006 0.4281 -0.0143 0.0039 -0.0003 0.0913 -0.0023 0.0030 -0.0008 0.0545 0.0116 -0.0579 -0.0146 -0.0298 -0.0053 -0.0279 -0.0043 0.0744 0.0149 0.0710 0.0108 0.0078 -0.0035 -0.0097 0.0138 -0.0082 0.0132 0.0189 -0.0100 -0.0091 0.0175 0.0094 259. (0.00501) RY ( 2) S 3 s( 0.37%)p72.87( 27.23%)d99.99( 68.73%) f 9.46( 3.54%)g 0.37( 0.14%) 0.0000 0.0000 0.0030 0.0599 0.0117 0.0027 0.0002 0.0000 0.0000 0.0000 -0.1058 0.4359 0.0584 -0.0014 -0.0003 0.0000 -0.0280 0.1937 0.0173 0.0065 -0.0002 0.0000 0.0919 -0.1390 -0.0345 0.0004 -0.0002 -0.1503 -0.0405 -0.0012 0.0008 0.1471 -0.0065 0.0108 0.0000 0.4379 0.0194 0.0185 -0.0020 0.5383 0.0380 0.0196 -0.0036 -0.3959 0.0036 -0.0174 0.0026 -0.0513 -0.0044 -0.0710 -0.0189 0.0616 0.0315 0.1056 0.0419 0.0090 0.0098 0.0200 0.0046 -0.0903 -0.0293 0.0204 -0.0091 0.0087 0.0120 0.0071 -0.0001 -0.0195 -0.0022 -0.0157 260. (0.00271) RY ( 3) S 3 s( 0.73%)p28.96( 21.06%)d99.99( 75.88%) f 2.83( 2.06%)g 0.38( 0.28%) 0.0000 0.0000 0.0031 0.0728 0.0443 0.0007 -0.0007 0.0000 -0.0001 0.0000 0.0300 0.0656 0.0825 0.0063 -0.0012 0.0000 -0.0011 0.3529 -0.0732 0.0005 -0.0002 0.0000 -0.0067 0.2609 -0.0237 0.0060 -0.0005 0.7531 -0.0007 0.0185 -0.0012 0.3848 0.0185 0.0111 -0.0019 -0.1515 -0.0787 0.0077 0.0011 0.0558 0.0230 0.0075 -0.0049 -0.0987 -0.0030 -0.0027 0.0035 -0.0349 -0.0294 0.0230 -0.0065 -0.0353 -0.0106 -0.0055 0.0085 -0.0010 -0.0192 0.0470 0.0442 0.0995 0.0449 -0.0043 -0.0050 0.0110 -0.0171 -0.0173 0.0153 -0.0173 0.0264 0.0281 261. (0.00133) RY ( 4) S 3 s( 3.19%)p 9.50( 30.27%)d20.16( 64.28%) f 0.65( 2.08%)g 0.06( 0.18%) 0.0000 0.0000 0.0029 0.1776 0.0180 -0.0021 -0.0027 0.0003 0.0000 0.0000 0.0231 -0.0548 -0.0333 0.0024 -0.0015 0.0000 -0.0056 0.2610 -0.1056 0.0099 -0.0012 0.0000 -0.0219 0.4649 0.0451 -0.0018 -0.0005 -0.2049 -0.0499 0.0096 0.0024 0.0993 -0.0218 0.0114 0.0002 0.3608 -0.0606 0.0215 -0.0015 0.1678 0.0239 0.0036 -0.0033 0.6436 0.1021 0.0069 -0.0051 0.1039 0.0675 0.0227 -0.0178 -0.0142 -0.0345 0.0106 0.0207 0.0013 -0.0290 -0.0235 -0.0200 -0.0285 0.0068 0.0176 -0.0155 -0.0313 0.0099 -0.0062 -0.0104 -0.0040 -0.0013 0.0009 262. (0.00049) RY ( 5) S 3 s( 23.10%)p 1.52( 35.16%)d 1.72( 39.62%) f 0.09( 2.03%)g 0.00( 0.09%) 0.0000 0.0000 -0.0157 0.4751 0.0705 -0.0041 -0.0020 0.0003 0.0001 0.0000 -0.0228 0.4256 0.1353 -0.0030 -0.0016 0.0000 0.0378 -0.2047 0.2125 -0.0182 0.0007 0.0000 -0.0424 0.2467 0.0030 -0.0098 0.0019 -0.2215 -0.0172 -0.0067 0.0019 0.0927 0.0626 -0.0087 -0.0051 -0.5437 0.1058 -0.0433 -0.0009 0.1280 -0.0710 0.0318 -0.0053 0.0528 -0.0135 -0.0064 0.0036 -0.0083 0.0007 0.0318 -0.0169 -0.0782 -0.0135 0.0137 -0.0288 -0.1007 0.0203 0.0254 0.0116 -0.0176 0.0053 -0.0102 0.0036 -0.0145 -0.0164 -0.0040 -0.0025 0.0120 -0.0061 -0.0087 263. (0.00030) RY ( 6) S 3 s( 5.24%)p 6.25( 32.77%)d11.13( 58.38%) f 0.56( 2.95%)g 0.12( 0.65%) 0.0000 0.0000 0.0110 0.1977 -0.1146 -0.0101 -0.0019 0.0006 0.0002 0.0000 0.0316 0.1637 0.1301 0.0112 -0.0022 0.0000 0.0157 0.4048 0.2201 -0.0068 -0.0017 0.0000 0.0335 0.1538 0.2095 -0.0395 0.0041 -0.0636 -0.0699 -0.0046 0.0017 -0.3150 0.0274 0.0011 -0.0046 0.1378 0.0280 0.0301 -0.0118 -0.4872 0.0884 -0.0185 0.0014 -0.2802 0.3478 -0.0956 0.0004 0.0184 0.0816 0.0176 0.0497 -0.0105 -0.0237 -0.1044 -0.0494 0.0120 0.0032 -0.0492 -0.0359 0.0360 0.0231 0.0054 0.0029 -0.0674 -0.0123 0.0044 -0.0191 0.0358 -0.0116 0.0009 264. (0.00024) RY ( 7) S 3 s( 5.29%)p 9.59( 50.69%)d 6.69( 35.40%) f 1.47( 7.76%)g 0.16( 0.86%) 0.0000 0.0000 0.0054 0.1336 0.1863 0.0083 0.0151 -0.0005 -0.0003 0.0000 0.0220 0.5494 -0.1372 0.0394 -0.0023 0.0000 -0.0178 -0.2436 -0.1409 -0.0137 -0.0011 0.0000 0.0071 -0.2698 -0.1714 0.0470 -0.0034 0.2441 -0.0502 0.0115 0.0044 -0.0159 -0.1472 0.0047 0.0059 0.2707 -0.1240 -0.0141 -0.0004 -0.3195 -0.0487 0.0222 0.0004 0.2755 0.0103 0.0021 0.0021 0.0829 0.0236 -0.0332 0.0965 0.0375 -0.0379 -0.1522 -0.0959 -0.0640 0.1106 0.0254 -0.0121 0.0860 -0.0019 -0.0398 0.0539 0.0167 0.0204 -0.0256 -0.0196 0.0394 -0.0247 0.0150 265. (0.00014) RY ( 8) S 3 s( 5.03%)p11.45( 57.63%)d 4.64( 23.33%) f 2.75( 13.84%)g 0.03( 0.17%) 0.0000 0.0000 -0.0014 -0.1139 0.1903 -0.0191 0.0276 0.0002 0.0006 0.0000 0.0039 -0.0436 -0.3626 0.0248 0.0011 0.0000 0.0030 -0.1985 0.2342 -0.0546 -0.0037 0.0000 0.0166 0.4359 -0.3929 0.0196 0.0018 0.0072 -0.0042 -0.0096 -0.0028 -0.1380 -0.0463 -0.0241 -0.0065 0.0614 -0.3312 -0.0408 -0.0098 0.0559 0.0232 0.0057 0.0053 -0.2521 0.1690 -0.0153 -0.0023 -0.0105 0.0116 0.1728 -0.1575 0.1721 -0.1370 0.0343 -0.0481 -0.0634 0.0862 -0.0812 0.0917 0.0470 -0.0539 -0.0228 0.0035 0.0030 -0.0204 0.0200 0.0090 -0.0109 0.0056 -0.0108 266. (0.00010) RY ( 9) S 3 s( 9.54%)p 3.05( 29.12%)d 5.60( 53.41%) f 0.77( 7.37%)g 0.06( 0.56%) 267. (0.00005) RY (10) S 3 s( 10.99%)p 2.98( 32.78%)d 3.11( 34.21%) f 1.95( 21.47%)g 0.05( 0.55%) 268. (0.00003) RY (11) S 3 s( 13.22%)p 4.42( 58.38%)d 1.51( 19.95%) f 0.62( 8.15%)g 0.02( 0.31%) 269. (0.00002) RY (12) S 3 s( 7.86%)p 2.14( 16.80%)d 6.77( 53.22%) f 2.61( 20.52%)g 0.20( 1.61%) 270. (0.00002) RY (13) S 3 s( 3.24%)p11.63( 37.68%)d10.17( 32.94%) f 7.64( 24.77%)g 0.42( 1.37%) 271. (0.00002) RY (14) S 3 s( 13.54%)p 0.64( 8.67%)d 2.33( 31.59%) f 3.29( 44.49%)g 0.13( 1.71%) 272. (0.00001) RY (15) S 3 s( 15.84%)p 1.35( 21.31%)d 2.70( 42.72%) f 1.23( 19.51%)g 0.04( 0.62%) 273. (0.00001) RY (16) S 3 s( 1.66%)p 2.29( 3.80%)d28.21( 46.76%) f27.11( 44.93%)g 1.73( 2.86%) 274. (0.00000) RY (17) S 3 s( 1.40%)p 2.84( 3.98%)d28.68( 40.14%) f17.84( 24.97%)g21.08( 29.50%) 275. (0.00000) RY (18) S 3 s( 6.51%)p 0.45( 2.95%)d 3.22( 20.95%) f 5.77( 37.59%)g 4.92( 32.00%) 276. (0.00000) RY (19) S 3 s( 2.22%)p 2.44( 5.43%)d18.51( 41.09%) f17.38( 38.57%)g 5.72( 12.69%) 277. (0.00000) RY (20) S 3 s( 1.97%)p 4.05( 7.97%)d 8.53( 16.78%) f19.00( 37.39%)g18.23( 35.89%) 278. (0.00000) RY (21) S 3 s( 3.63%)p 0.50( 1.82%)d 8.20( 29.75%) f 9.09( 32.95%)g 8.78( 31.85%) 279. (0.00000) RY (22) S 3 s( 0.80%)p 4.31( 3.44%)d13.58( 10.83%) f45.93( 36.62%)g60.60( 48.32%) 280. (0.00000) RY (23) S 3 s( 2.08%)p 4.94( 10.27%)d 8.79( 18.30%) f13.92( 28.97%)g19.40( 40.38%) 281. (0.00000) RY (24) S 3 s( 5.29%)p 1.84( 9.73%)d10.89( 57.58%) f 1.43( 7.54%)g 3.76( 19.86%) 282. (0.00000) RY (25) S 3 s( 10.25%)p 1.29( 13.19%)d 1.06( 10.88%) f 1.66( 17.02%)g 4.75( 48.66%) 283. (0.00000) RY (26) S 3 s( 0.20%)p24.46( 4.81%)d81.00( 15.94%) f99.99( 56.92%)g99.99( 22.12%) 284. (0.00000) RY (27) S 3 s( 4.68%)p 3.36( 15.70%)d 2.60( 12.15%) f 4.78( 22.36%)g 9.64( 45.11%) 285. (0.00000) RY (28) S 3 s( 19.39%)p 0.60( 11.56%)d 1.05( 20.35%) f 2.12( 41.06%)g 0.39( 7.64%) 286. (0.00000) RY (29) S 3 s( 2.93%)p 7.10( 20.78%)d 5.32( 15.57%) f 9.86( 28.85%)g10.89( 31.88%) 287. (0.00000) RY (30) S 3 s( 0.66%)p54.74( 36.35%)d35.69( 23.70%) f40.58( 26.94%)g18.60( 12.35%) 288. (0.00000) RY (31) S 3 s( 12.76%)p 0.25( 3.15%)d 2.00( 25.48%) f 3.50( 44.69%)g 1.09( 13.92%) 289. (0.00000) RY (32) S 3 s( 2.55%)p14.31( 36.43%)d14.77( 37.60%) f 8.15( 20.74%)g 1.06( 2.69%) 290. (0.00000) RY (33) S 3 s( 3.13%)p 5.77( 18.03%)d 5.26( 16.45%) f12.71( 39.73%)g 7.25( 22.66%) 291. (0.00000) RY (34) S 3 s( 5.11%)p 2.52( 12.90%)d 6.92( 35.37%) f 6.03( 30.82%)g 3.09( 15.79%) 292. (0.00000) RY (35) S 3 s( 18.85%)p 1.71( 32.15%)d 0.69( 12.95%) f 1.05( 19.81%)g 0.86( 16.25%) 293. (0.00000) RY (36) S 3 s( 8.46%)p 1.76( 14.84%)d 1.57( 13.31%) f 5.75( 48.65%)g 1.74( 14.73%) 294. (0.00000) RY (37) S 3 s( 2.98%)p 3.50( 10.42%)d15.77( 46.94%) f 4.97( 14.78%)g 8.36( 24.88%) 295. (0.00000) RY (38) S 3 s( 4.91%)p 2.61( 12.82%)d11.48( 56.30%) f 4.43( 21.71%)g 0.87( 4.26%) 296. (0.00000) RY (39) S 3 s( 0.51%)p21.32( 10.98%)d45.34( 23.35%) f89.04( 45.85%)g37.50( 19.31%) 297. (0.00000) RY (40) S 3 s( 3.54%)p 4.40( 15.54%)d11.59( 40.96%) f10.17( 35.95%)g 1.14( 4.01%) 298. (0.00000) RY (41) S 3 s( 7.41%)p 2.93( 21.72%)d 5.74( 42.54%) f 3.43( 25.39%)g 0.40( 2.94%) 299. (0.00000) RY (42) S 3 s( 1.73%)p14.46( 25.04%)d18.72( 32.42%) f22.95( 39.76%)g 0.60( 1.05%) 300. (0.00000) RY (43) S 3 s( 3.75%)p 2.78( 10.43%)d 7.80( 29.27%) f13.33( 50.00%)g 1.75( 6.55%) 301. (0.00000) RY (44) S 3 s( 5.67%)p 0.77( 4.37%)d12.44( 70.45%) f 3.19( 18.08%)g 0.25( 1.44%) 302. (0.00000) RY (45) S 3 s( 0.80%)p 7.17( 5.75%)d90.32( 72.43%) f24.37( 19.54%)g 1.84( 1.47%) 303. (0.00000) RY (46) S 3 s( 16.93%)p 1.47( 24.97%)d 1.00( 16.98%) f 2.34( 39.59%)g 0.09( 1.53%) 304. (0.00000) RY (47) S 3 s( 7.37%)p 4.83( 35.64%)d 3.18( 23.47%) f 4.38( 32.33%)g 0.16( 1.18%) 305. (0.00000) RY (48) S 3 s( 98.15%)p 0.01( 0.89%)d 0.01( 0.79%) f 0.00( 0.14%)g 0.00( 0.04%) 306. (0.00000) RY (49) S 3 s( 93.71%)p 0.02( 1.72%)d 0.03( 2.66%) f 0.00( 0.46%)g 0.02( 1.45%) 307. (0.00000) RY (50) S 3 s( 26.12%)p 2.44( 63.79%)d 0.32( 8.28%) f 0.04( 0.93%)g 0.03( 0.87%) 308. (0.00000) RY (51) S 3 s( 28.91%)p 0.61( 17.66%)d 1.63( 47.01%) f 0.11( 3.23%)g 0.11( 3.19%) 309. (0.00000) RY (52) S 3 s( 22.18%)p 1.24( 27.60%)d 1.80( 39.83%) f 0.26( 5.76%)g 0.21( 4.63%) 310. (0.00000) RY (53) S 3 s( 9.46%)p 7.98( 75.50%)d 1.05( 9.92%) f 0.18( 1.68%)g 0.36( 3.44%) 311. (0.00000) RY (54) S 3 s( 6.38%)p10.10( 64.39%)d 2.09( 13.31%) f 0.37( 2.37%)g 2.13( 13.56%) 312. (0.00000) RY (55) S 3 s( 1.04%)p 9.07( 9.43%)d22.33( 23.20%) f11.92( 12.39%)g51.90( 53.94%) 313. (0.00000) RY (56) S 3 s( 1.96%)p 4.85( 9.49%)d10.99( 21.51%) f23.85( 46.70%)g10.39( 20.34%) 314. (0.00000) RY (57) S 3 s( 1.72%)p 4.17( 7.17%)d14.38( 24.69%) f14.16( 24.31%)g24.53( 42.12%) 315. (0.00000) RY (58) S 3 s( 0.18%)p11.40( 2.04%)d99.99( 22.51%) f99.99( 34.91%)g99.99( 40.36%) 316. (0.00000) RY (59) S 3 s( 4.47%)p 0.32( 1.43%)d 7.97( 35.63%) f 4.13( 18.49%)g 8.94( 39.98%) 317. (0.00000) RY (60) S 3 s( 7.39%)p 1.39( 10.25%)d 4.44( 32.82%) f 3.28( 24.24%)g 3.42( 25.30%) 318. (0.00000) RY (61) S 3 s( 2.37%)p 1.40( 3.30%)d 7.19( 17.00%) f 4.90( 11.58%)g27.80( 65.75%) 319. (0.00800) RY ( 1) S 4 s( 11.61%)p 0.05( 0.54%)d 7.41( 86.06%) f 0.14( 1.60%)g 0.02( 0.19%) 0.0000 0.0000 -0.0208 0.3398 0.0153 -0.0033 -0.0004 0.0001 0.0000 0.0000 -0.0247 -0.0023 -0.0056 0.0084 -0.0006 0.0000 -0.0373 -0.0263 0.0486 0.0125 -0.0006 0.0000 -0.0040 0.0008 0.0049 0.0012 0.0000 -0.1254 -0.0041 0.0051 0.0008 0.0165 0.0005 0.0011 0.0000 -0.1455 0.0012 -0.0033 0.0006 0.2066 -0.0276 0.0082 -0.0013 0.8828 0.0161 0.0160 -0.0031 0.0171 0.0022 0.0661 0.0187 0.0974 0.0156 0.0161 0.0023 -0.0086 -0.0024 0.0271 0.0067 0.0129 -0.0002 0.0382 0.0045 -0.0113 -0.0015 0.0131 0.0028 0.0000 0.0037 0.0089 320. (0.00546) RY ( 2) S 4 s( 0.00%)p 1.00( 20.83%)d 3.61( 75.10%) f 0.19( 3.90%)g 0.01( 0.17%) 0.0000 0.0000 -0.0004 0.0037 0.0003 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0021 -0.0050 0.0004 -0.0001 0.0000 0.0000 -0.0139 0.0383 0.0059 0.0000 0.0001 0.0000 0.1531 -0.4242 -0.0561 -0.0027 -0.0006 0.0268 -0.0016 0.0012 0.0000 -0.4214 0.0067 -0.0175 0.0006 -0.7465 -0.0325 -0.0165 0.0008 -0.0699 -0.0026 -0.0016 0.0000 -0.0943 -0.0052 -0.0016 0.0001 0.1357 0.0437 -0.0103 -0.0034 -0.0352 -0.0119 0.0616 0.0233 -0.1067 -0.0352 -0.0110 -0.0030 -0.0085 -0.0031 0.0011 0.0073 0.0040 0.0007 -0.0077 0.0389 0.0033 0.0011 -0.0046 321. (0.00184) RY ( 3) S 4 s( 0.01%)p99.99( 6.45%)d99.99( 91.10%) f99.99( 2.21%)g15.44( 0.22%) 0.0000 0.0000 0.0002 0.0120 -0.0012 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0001 0.0212 0.0045 -0.0004 -0.0001 0.0000 0.0012 -0.0335 -0.0061 0.0001 0.0000 0.0000 -0.0119 0.2140 0.1300 -0.0017 -0.0005 -0.0740 -0.0071 -0.0002 0.0005 0.7679 0.0697 0.0112 -0.0078 -0.5448 -0.0099 0.0068 -0.0008 -0.0201 0.0000 0.0020 -0.0004 -0.1159 -0.0045 0.0007 -0.0001 0.0139 -0.0049 0.0005 0.0046 -0.0216 -0.0103 0.1211 0.0646 0.0335 0.0339 0.0079 0.0048 -0.0098 -0.0060 -0.0058 0.0270 -0.0144 0.0043 -0.0079 0.0075 0.0333 0.0042 0.0000 322. (0.00165) RY ( 4) S 4 s( 7.05%)p 6.82( 48.11%)d 6.15( 43.38%) f 0.19( 1.33%)g 0.02( 0.13%) 0.0000 0.0000 0.0036 0.2653 0.0077 0.0021 -0.0044 0.0004 0.0001 0.0000 0.0021 0.6142 0.0212 -0.0132 -0.0019 0.0000 0.0085 -0.2970 0.1158 0.0024 -0.0009 0.0000 0.0011 -0.0380 0.0082 0.0002 0.0000 0.1183 0.0356 0.0033 -0.0047 -0.0323 -0.0007 0.0006 -0.0002 -0.0007 0.0032 -0.0026 0.0006 0.6009 0.0001 0.0238 -0.0047 -0.2359 -0.0097 0.0007 -0.0021 -0.0051 -0.0087 -0.0373 0.0600 -0.0202 -0.0315 0.0004 -0.0037 -0.0007 -0.0113 0.0246 0.0037 0.0747 0.0218 -0.0016 -0.0015 -0.0048 0.0291 0.0046 0.0031 -0.0048 -0.0157 0.0114 323. (0.00040) RY ( 5) S 4 s( 4.30%)p16.94( 72.77%)d 4.74( 20.37%) f 0.51( 2.20%)g 0.08( 0.36%) 0.0000 0.0000 -0.0152 0.1480 0.1442 0.0030 0.0044 -0.0001 0.0001 0.0000 -0.0379 0.1681 -0.2766 0.0318 -0.0027 0.0000 -0.0185 0.7759 -0.1094 0.0027 -0.0008 0.0000 -0.0013 0.0782 0.0053 0.0000 0.0002 0.4200 -0.0586 0.0483 -0.0011 0.0330 0.0031 0.0039 -0.0001 -0.0201 0.0114 -0.0056 -0.0005 0.1066 -0.0819 -0.0069 0.0103 -0.0012 -0.0200 0.0353 0.0014 -0.0019 0.0152 -0.0482 -0.0311 -0.0115 0.0681 0.0066 0.0076 0.0175 0.0063 -0.0941 0.0108 0.0608 -0.0245 0.0274 -0.0020 0.0024 -0.0419 -0.0302 -0.0076 0.0055 0.0032 -0.0086 324. (0.00020) RY ( 6) S 4 s( 9.75%)p 4.45( 43.38%)d 4.46( 43.51%) f 0.26( 2.50%)g 0.09( 0.86%) 0.0000 0.0000 -0.0087 0.2919 -0.1076 -0.0242 -0.0005 0.0007 0.0001 0.0000 -0.0022 0.4207 0.4573 -0.0267 0.0034 0.0000 -0.0455 -0.0331 -0.2080 -0.0212 0.0034 0.0000 -0.0037 -0.0029 -0.0091 -0.0009 -0.0002 0.2381 0.0521 -0.0220 -0.0006 0.0250 0.0104 -0.0015 -0.0001 0.0324 0.0160 0.0055 -0.0020 -0.5780 0.1388 -0.0383 -0.0067 0.0958 -0.0931 -0.0164 0.0103 -0.0091 -0.0037 -0.1007 0.0807 -0.0322 0.0071 -0.0061 0.0054 0.0188 -0.0057 -0.0731 -0.0203 0.0188 0.0251 -0.0372 0.0108 0.0050 0.0142 0.0758 0.0122 0.0028 -0.0316 -0.0014 325. (0.00011) RY ( 7) S 4 s( 1.11%)p31.20( 34.76%)d49.47( 55.12%) f 7.74( 8.63%)g 0.34( 0.38%) 0.0000 0.0000 0.0084 0.0792 0.0618 -0.0163 0.0267 -0.0004 0.0003 0.0000 0.0440 0.2844 -0.2877 -0.0335 0.0043 0.0000 0.0183 0.1158 -0.3941 0.0257 0.0051 0.0000 0.0016 0.1035 -0.0143 -0.0114 0.0024 -0.5898 0.2744 -0.0257 0.0069 -0.1147 0.1661 -0.0351 0.0003 -0.0002 -0.0625 -0.0012 0.0029 -0.0966 0.0061 -0.0384 -0.0040 -0.0544 0.2588 -0.0216 0.0138 -0.0183 0.0065 -0.1319 0.1049 -0.0722 0.1428 -0.0372 0.0517 0.0209 0.0184 0.0939 -0.0156 -0.1323 0.0225 0.0222 0.0145 0.0005 -0.0458 0.0021 -0.0124 0.0248 0.0092 -0.0119 326. (0.00011) RY ( 8) S 4 s( 0.03%)p99.99( 30.17%)d99.99( 62.70%) f99.99( 6.03%)g31.82( 1.06%) 0.0000 0.0000 0.0013 0.0151 0.0075 -0.0035 0.0060 -0.0001 0.0000 0.0000 0.0079 0.0625 -0.0634 -0.0043 0.0005 0.0000 0.0028 0.0716 -0.0641 0.0001 0.0017 0.0000 -0.0039 -0.4829 -0.2161 0.0666 -0.0087 -0.1259 0.1079 -0.0164 0.0007 0.3258 -0.6640 0.1556 0.0066 0.1221 0.0650 0.0400 -0.0195 -0.0130 -0.0118 0.0000 -0.0027 0.0033 0.0810 -0.0034 -0.0004 0.0409 0.1250 -0.0477 0.0118 -0.0285 0.0266 0.0256 -0.1189 -0.0605 -0.1377 0.0157 -0.0237 -0.0260 0.0139 0.0118 -0.0442 0.0152 -0.0250 0.0054 0.0445 -0.0745 -0.0057 -0.0094 327. (0.00007) RY ( 9) S 4 s( 0.05%)p99.99( 61.16%)d99.99( 28.13%) f99.99( 9.78%)g16.16( 0.88%) 328. (0.00003) RY (10) S 4 s( 2.00%)p17.93( 35.83%)d19.40( 38.78%) f10.23( 20.45%)g 1.47( 2.95%) 329. (0.00003) RY (11) S 4 s( 2.02%)p17.32( 34.94%)d19.24( 38.81%) f10.43( 21.03%)g 1.59( 3.20%) 330. (0.00002) RY (12) S 4 s( 0.01%)p 1.00( 51.44%)d 0.59( 30.30%) f 0.34( 17.70%)g 0.01( 0.56%) 331. (0.00001) RY (13) S 4 s( 27.80%)p 0.41( 11.28%)d 1.17( 32.55%) f 0.97( 27.08%)g 0.05( 1.29%) 332. (0.00001) RY (14) S 4 s( 19.64%)p 1.19( 23.40%)d 2.31( 45.43%) f 0.52( 10.11%)g 0.07( 1.41%) 333. (0.00001) RY (15) S 4 s( 0.36%)p45.24( 16.12%)d51.63( 18.40%) f99.99( 64.75%)g 1.04( 0.37%) 334. (0.00000) RY (16) S 4 s( 6.17%)p 4.62( 28.54%)d 9.46( 58.40%) f 0.85( 5.24%)g 0.27( 1.66%) 335. (0.00000) RY (17) S 4 s( 2.26%)p 1.75( 3.95%)d 8.96( 20.24%) f14.49( 32.72%)g18.08( 40.84%) 336. (0.00000) RY (18) S 4 s( 6.43%)p 1.87( 11.99%)d 3.38( 21.73%) f 3.25( 20.91%)g 6.06( 38.94%) 337. (0.00000) RY (19) S 4 s( 4.01%)p 0.72( 2.87%)d 8.51( 34.11%) f 7.71( 30.93%)g 7.00( 28.08%) 338. (0.00000) RY (20) S 4 s( 1.24%)p 2.65( 3.28%)d37.83( 46.83%) f24.18( 29.93%)g15.12( 18.72%) 339. (0.00000) RY (21) S 4 s( 0.82%)p20.92( 17.22%)d32.77( 26.97%) f62.42( 51.37%)g 4.40( 3.62%) 340. (0.00000) RY (22) S 4 s( 6.83%)p 0.43( 2.91%)d 3.96( 27.05%) f 6.20( 42.37%)g 3.05( 20.84%) 341. (0.00000) RY (23) S 4 s( 1.96%)p 4.99( 9.78%)d 9.24( 18.09%) f11.33( 22.19%)g24.50( 47.98%) 342. (0.00000) RY (24) S 4 s( 1.79%)p 1.96( 3.51%)d 5.02( 8.97%) f 2.56( 4.58%)g45.38( 81.15%) 343. (0.00000) RY (25) S 4 s( 7.13%)p 0.50( 3.54%)d 4.93( 35.14%) f 4.81( 34.29%)g 2.79( 19.90%) 344. (0.00000) RY (26) S 4 s( 4.54%)p 4.88( 22.14%)d 3.31( 15.03%) f 5.82( 26.42%)g 7.02( 31.87%) 345. (0.00000) RY (27) S 4 s( 0.39%)p 4.26( 1.66%)d56.62( 22.00%) f38.49( 14.96%)g99.99( 60.99%) 346. (0.00000) RY (28) S 4 s( 2.92%)p 1.58( 4.60%)d12.08( 35.22%) f 6.08( 17.73%)g13.56( 39.54%) 347. (0.00000) RY (29) S 4 s( 10.35%)p 0.97( 10.03%)d 1.55( 16.07%) f 3.96( 40.98%)g 2.18( 22.57%) 348. (0.00000) RY (30) S 4 s( 1.20%)p10.74( 12.88%)d 7.61( 9.12%) f43.51( 52.18%)g20.53( 24.62%) 349. (0.00000) RY (31) S 4 s( 8.91%)p 1.01( 8.99%)d 1.75( 15.55%) f 5.72( 50.93%)g 1.75( 15.62%) 350. (0.00000) RY (32) S 4 s( 21.28%)p 0.25( 5.26%)d 0.38( 8.13%) f 2.41( 51.21%)g 0.66( 14.12%) 351. (0.00000) RY (33) S 4 s( 1.45%)p19.33( 28.00%)d 8.19( 11.86%) f25.14( 36.42%)g15.38( 22.28%) 352. (0.00000) RY (34) S 4 s( 17.63%)p 1.13( 19.99%)d 1.01( 17.83%) f 1.71( 30.16%)g 0.82( 14.39%) 353. (0.00000) RY (35) S 4 s( 11.70%)p 1.66( 19.43%)d 3.39( 39.70%) f 1.92( 22.50%)g 0.57( 6.66%) 354. (0.00000) RY (36) S 4 s( 1.39%)p10.96( 15.21%)d20.81( 28.87%) f33.31( 46.20%)g 6.01( 8.34%) 355. (0.00000) RY (37) S 4 s( 12.85%)p 2.51( 32.24%)d 1.51( 19.41%) f 1.22( 15.71%)g 1.54( 19.79%) 356. (0.00000) RY (38) S 4 s( 17.33%)p 1.37( 23.77%)d 1.30( 22.62%) f 1.62( 28.00%)g 0.48( 8.28%) 357. (0.00000) RY (39) S 4 s( 21.82%)p 0.24( 5.16%)d 1.24( 27.08%) f 1.05( 22.99%)g 1.05( 22.96%) 358. (0.00000) RY (40) S 4 s( 5.01%)p 1.00( 5.00%)d 6.80( 34.05%) f 4.90( 24.52%)g 6.28( 31.43%) 359. (0.00000) RY (41) S 4 s( 3.95%)p 3.98( 15.71%)d 5.32( 21.01%) f13.11( 51.71%)g 1.93( 7.62%) 360. (0.00000) RY (42) S 4 s( 5.81%)p 3.51( 20.40%)d 8.16( 47.41%) f 3.97( 23.05%)g 0.57( 3.33%) 361. (0.00000) RY (43) S 4 s( 0.36%)p28.96( 10.31%)d99.99( 45.79%) f96.57( 34.38%)g25.74( 9.16%) 362. (0.00000) RY (44) S 4 s( 14.77%)p 0.95( 14.10%)d 3.88( 57.31%) f 0.52( 7.63%)g 0.42( 6.19%) 363. (0.00000) RY (45) S 4 s( 0.30%)p39.54( 11.81%)d94.24( 28.15%) f99.99( 55.93%)g12.76( 3.81%) 364. (0.00000) RY (46) S 4 s( 6.16%)p 3.31( 20.42%)d10.38( 63.95%) f 1.09( 6.72%)g 0.45( 2.75%) 365. (0.00000) RY (47) S 4 s( 6.61%)p 1.97( 13.04%)d 6.62( 43.77%) f 5.36( 35.42%)g 0.18( 1.16%) 366. (0.00000) RY (48) S 4 s( 7.45%)p 1.69( 12.62%)d 9.29( 69.26%) f 1.24( 9.26%)g 0.19( 1.41%) 367. (0.00000) RY (49) S 4 s( 5.50%)p 1.04( 5.71%)d 8.80( 48.46%) f 6.91( 38.01%)g 0.42( 2.32%) 368. (0.00000) RY (50) S 4 s( 98.34%)p 0.01( 1.28%)d 0.00( 0.28%) f 0.00( 0.04%)g 0.00( 0.05%) 369. (0.00000) RY (51) S 4 s( 90.80%)p 0.07( 6.43%)d 0.01( 0.68%) f 0.01( 0.96%)g 0.01( 1.14%) 370. (0.00000) RY (52) S 4 s( 6.12%)p13.57( 82.98%)d 0.64( 3.93%) f 0.52( 3.16%)g 0.62( 3.82%) 371. (0.00000) RY (53) S 4 s( 28.38%)p 1.04( 29.46%)d 0.59( 16.63%) f 0.54( 15.19%)g 0.36( 10.33%) 372. (0.00000) RY (54) S 4 s( 0.58%)p81.07( 46.81%)d61.92( 35.75%) f15.30( 8.83%)g13.91( 8.03%) 373. (0.00000) RY (55) S 4 s( 6.10%)p 2.02( 12.31%)d 5.39( 32.86%) f 1.31( 8.01%)g 6.68( 40.73%) 374. (0.00000) RY (56) S 4 s( 6.78%)p 5.94( 40.22%)d 4.06( 27.50%) f 1.36( 9.25%)g 2.40( 16.25%) 375. (0.00000) RY (57) S 4 s( 20.54%)p 0.38( 7.74%)d 0.98( 20.11%) f 1.40( 28.76%)g 1.11( 22.85%) 376. (0.00000) RY (58) S 4 s( 12.92%)p 1.69( 21.78%)d 3.46( 44.75%) f 0.39( 5.01%)g 1.20( 15.54%) 377. (0.00000) RY (59) S 4 s( 1.59%)p12.37( 19.60%)d14.18( 22.48%) f31.31( 49.64%)g 4.22( 6.69%) 378. (0.00000) RY (60) S 4 s( 3.43%)p 2.96( 10.16%)d 6.91( 23.70%) f 8.52( 29.23%)g 9.75( 33.47%) 379. (0.00000) RY (61) S 4 s( 10.24%)p 0.71( 7.26%)d 1.33( 13.58%) f 2.42( 24.79%)g 4.31( 44.12%) 380. (0.00802) RY ( 1) S 5 s( 8.44%)p 0.25( 2.10%)d10.35( 87.35%) f 0.23( 1.97%)g 0.02( 0.15%) 0.0000 0.0000 -0.0177 0.2892 0.0198 -0.0018 -0.0006 0.0001 0.0000 0.0000 -0.0168 -0.0879 0.0024 -0.0028 -0.0003 0.0000 0.0166 -0.0054 -0.0238 -0.0065 0.0002 0.0000 0.0307 0.0935 -0.0484 -0.0077 0.0003 0.2194 0.0077 0.0026 -0.0007 0.7873 0.0257 0.0151 -0.0012 -0.0740 0.0118 0.0043 0.0009 0.4443 -0.0105 0.0053 -0.0003 0.0360 0.0016 0.0037 -0.0004 -0.0574 -0.0115 -0.0856 -0.0193 -0.0074 -0.0004 0.0181 0.0013 -0.0697 -0.0120 0.0553 0.0075 0.0007 -0.0043 -0.0040 -0.0088 0.0052 0.0152 0.0188 0.0184 0.0004 0.0191 0.0062 381. (0.00508) RY ( 2) S 5 s( 0.39%)p70.07( 27.65%)d99.99( 68.34%) f 8.80( 3.47%)g 0.35( 0.14%) 0.0000 0.0000 0.0026 0.0612 0.0137 0.0024 0.0003 0.0000 0.0000 0.0000 -0.1098 0.4430 0.0633 -0.0005 -0.0003 0.0000 -0.0117 0.1788 0.0098 0.0058 -0.0003 0.0000 -0.0908 0.1497 0.0356 0.0012 0.0002 -0.1224 -0.0408 0.0004 0.0005 -0.2226 -0.0038 -0.0124 0.0005 -0.3830 -0.0238 -0.0155 0.0017 0.4645 0.0295 0.0171 -0.0030 -0.5021 -0.0043 -0.0221 0.0029 0.0833 0.0213 -0.0568 -0.0166 0.0615 0.0371 -0.1107 -0.0377 0.0119 -0.0026 0.0171 0.0022 -0.0644 -0.0201 0.0099 0.0116 -0.0228 0.0129 0.0005 -0.0024 0.0162 0.0034 -0.0140 382. (0.00274) RY ( 3) S 5 s( 0.63%)p34.83( 21.98%)d99.99( 74.97%) f 3.37( 2.13%)g 0.46( 0.29%) 0.0000 0.0000 0.0031 0.0646 0.0461 0.0019 -0.0010 0.0000 0.0000 0.0000 0.0315 0.0456 0.0828 0.0040 -0.0014 0.0000 -0.0022 0.4046 -0.0767 0.0018 -0.0003 0.0000 0.0064 -0.2004 0.0061 -0.0053 0.0005 0.8130 0.0051 0.0206 -0.0017 -0.2463 -0.0154 -0.0075 0.0022 0.1279 0.0691 -0.0083 -0.0012 0.0617 0.0357 0.0040 -0.0054 -0.0192 0.0250 -0.0050 0.0033 0.0115 0.0221 0.0214 0.0006 -0.0505 -0.0208 0.0120 -0.0043 -0.0245 0.0075 0.0455 0.0454 0.1002 0.0471 -0.0079 -0.0004 0.0000 -0.0121 -0.0149 -0.0164 0.0116 0.0293 0.0345 383. (0.00134) RY ( 4) S 5 s( 3.20%)p 9.25( 29.64%)d20.25( 64.89%) f 0.65( 2.09%)g 0.06( 0.18%) 0.0000 0.0000 0.0025 0.1780 0.0187 -0.0021 -0.0027 0.0003 0.0000 0.0000 0.0240 -0.0762 -0.0389 0.0017 -0.0015 0.0000 -0.0084 0.3296 -0.0975 0.0099 -0.0012 0.0000 0.0211 -0.4073 -0.0617 0.0022 0.0004 -0.2158 -0.0476 0.0093 0.0029 -0.0989 0.0182 -0.0092 0.0000 -0.5462 0.0258 -0.0232 0.0032 0.0880 0.0275 0.0007 -0.0034 0.5204 0.1042 0.0030 -0.0044 -0.1010 -0.0724 0.0155 -0.0149 0.0343 0.0009 -0.0143 -0.0239 -0.0001 0.0363 -0.0251 -0.0140 -0.0273 0.0119 0.0287 0.0139 0.0128 0.0198 -0.0128 0.0081 -0.0011 -0.0011 -0.0018 384. (0.00045) RY ( 5) S 5 s( 22.94%)p 1.55( 35.46%)d 1.72( 39.49%) f 0.09( 2.00%)g 0.00( 0.10%) 0.0000 0.0000 -0.0160 0.4753 0.0571 -0.0068 -0.0024 0.0003 0.0001 0.0000 -0.0226 0.4011 0.1522 -0.0037 -0.0014 0.0000 0.0298 -0.1551 0.2274 -0.0213 0.0013 0.0000 0.0494 -0.3003 0.0159 0.0075 -0.0018 -0.1721 -0.0141 -0.0059 0.0005 -0.1230 -0.0739 0.0093 0.0060 0.4841 -0.0808 0.0392 0.0007 0.2198 -0.0957 0.0366 -0.0036 0.2061 -0.0236 0.0044 0.0029 -0.0284 -0.0034 0.0582 -0.0170 -0.0744 -0.0173 -0.0335 0.0209 0.0774 -0.0201 0.0398 0.0075 -0.0087 0.0015 0.0019 -0.0052 0.0237 -0.0142 -0.0001 -0.0006 -0.0058 -0.0064 -0.0116 385. (0.00029) RY ( 6) S 5 s( 5.93%)p 5.13( 30.40%)d10.04( 59.50%) f 0.58( 3.42%)g 0.13( 0.75%) 0.0000 0.0000 0.0112 0.2176 -0.1081 -0.0096 -0.0021 0.0005 0.0001 0.0000 0.0304 0.1540 0.1289 0.0134 -0.0028 0.0000 0.0208 0.4138 0.2452 -0.0128 -0.0009 0.0000 -0.0317 -0.0617 -0.1569 0.0337 -0.0043 -0.1172 -0.0937 -0.0014 0.0025 0.2807 -0.0034 -0.0122 0.0047 0.0168 -0.1274 0.0000 0.0109 -0.4990 0.0761 -0.0194 0.0018 -0.3067 0.3423 -0.1024 0.0041 -0.0293 -0.0998 0.0077 0.0375 -0.0313 -0.0014 0.1162 0.0568 -0.0168 -0.0015 -0.0508 -0.0319 0.0159 0.0109 0.0448 0.0011 0.0596 -0.0022 0.0043 0.0241 -0.0308 -0.0194 -0.0058 386. (0.00023) RY ( 7) S 5 s( 5.58%)p 9.32( 51.98%)d 6.08( 33.89%) f 1.38( 7.68%)g 0.15( 0.86%) 0.0000 0.0000 0.0047 0.1451 0.1857 0.0045 0.0142 -0.0004 -0.0004 0.0000 0.0192 0.5563 -0.1230 0.0379 -0.0020 0.0000 -0.0164 -0.2920 -0.1839 -0.0015 -0.0017 0.0000 -0.0081 0.2207 0.1505 -0.0519 0.0037 0.2249 -0.0757 0.0174 0.0051 0.0576 0.1424 -0.0016 -0.0064 -0.2784 0.1139 0.0108 -0.0018 -0.3445 -0.0539 0.0278 0.0007 0.2106 0.0365 0.0089 0.0015 -0.0779 -0.0446 -0.0305 0.0583 0.0203 -0.0427 0.1631 0.0923 0.0606 -0.1237 0.0510 -0.0363 0.0586 -0.0277 -0.0369 -0.0666 0.0009 -0.0031 -0.0056 0.0181 -0.0370 -0.0309 0.0092 387. (0.00014) RY ( 8) S 5 s( 5.92%)p10.08( 59.70%)d 3.66( 21.64%) f 2.12( 12.58%)g 0.03( 0.16%) 0.0000 0.0000 -0.0008 -0.1428 0.1942 -0.0191 0.0277 0.0001 0.0006 0.0000 0.0065 -0.0106 -0.3568 0.0267 0.0010 0.0000 0.0041 -0.1325 0.1639 -0.0507 -0.0034 0.0000 -0.0177 -0.4948 0.4191 -0.0311 -0.0020 -0.0019 -0.0091 -0.0135 -0.0045 0.1437 0.0295 0.0215 0.0052 -0.0088 0.2512 0.0419 0.0085 0.0429 0.0949 0.0160 0.0074 -0.2627 0.2213 -0.0042 -0.0003 0.0613 -0.0452 0.1711 -0.1732 0.1432 -0.1154 0.0414 -0.0125 0.0377 -0.0701 -0.0758 0.0825 0.0477 -0.0622 -0.0223 -0.0004 0.0126 -0.0120 0.0202 -0.0060 0.0147 0.0053 -0.0081 388. (0.00009) RY ( 9) S 5 s( 8.08%)p 3.84( 31.00%)d 6.53( 52.78%) f 0.95( 7.68%)g 0.06( 0.46%) 389. (0.00005) RY (10) S 5 s( 7.36%)p 4.28( 31.51%)d 5.08( 37.37%) f 3.13( 23.03%)g 0.10( 0.73%) 390. (0.00003) RY (11) S 5 s( 14.31%)p 3.85( 55.14%)d 1.52( 21.68%) f 0.60( 8.56%)g 0.02( 0.31%) 391. (0.00002) RY (12) S 5 s( 13.30%)p 1.33( 17.63%)d 3.29( 43.72%) f 1.83( 24.34%)g 0.08( 1.02%) 392. (0.00002) RY (13) S 5 s( 6.08%)p 6.19( 37.62%)d 5.43( 32.99%) f 3.58( 21.80%)g 0.25( 1.51%) 393. (0.00001) RY (14) S 5 s( 14.19%)p 1.21( 17.22%)d 2.23( 31.63%) f 2.50( 35.43%)g 0.11( 1.52%) 394. (0.00001) RY (15) S 5 s( 2.50%)p 7.68( 19.17%)d21.30( 53.13%) f 9.76( 24.36%)g 0.34( 0.84%) 395. (0.00001) RY (16) S 5 s( 1.44%)p 3.92( 5.63%)d27.95( 40.18%) f35.22( 50.62%)g 1.48( 2.13%) 396. (0.00000) RY (17) S 5 s( 1.31%)p 5.67( 7.43%)d18.88( 24.71%) f15.13( 19.80%)g35.71( 46.75%) 397. (0.00000) RY (18) S 5 s( 0.45%)p 6.86( 3.09%)d84.80( 38.16%) f40.13( 18.06%)g89.46( 40.25%) 398. (0.00000) RY (19) S 5 s( 0.61%)p16.78( 10.30%)d45.23( 27.74%) f49.31( 30.25%)g50.69( 31.10%) 399. (0.00000) RY (20) S 5 s( 2.45%)p 0.53( 1.31%)d 6.79( 16.65%) f19.56( 47.96%)g12.90( 31.63%) 400. (0.00000) RY (21) S 5 s( 0.59%)p11.26( 6.65%)d56.82( 33.55%) f53.58( 31.63%)g46.72( 27.58%) 401. (0.00000) RY (22) S 5 s( 0.34%)p31.24( 10.68%)d57.53( 19.67%) f99.99( 43.42%)g75.70( 25.88%) 402. (0.00000) RY (23) S 5 s( 7.74%)p 1.00( 7.73%)d 3.60( 27.89%) f 4.50( 34.87%)g 2.81( 21.78%) 403. (0.00000) RY (24) S 5 s( 3.49%)p 0.60( 2.08%)d 5.47( 19.09%) f 7.97( 27.79%)g13.63( 47.54%) 404. (0.00000) RY (25) S 5 s( 0.48%)p 7.34( 3.55%)d33.09( 15.98%) f44.17( 21.33%)g99.99( 58.67%) 405. (0.00000) RY (26) S 5 s( 5.87%)p 3.55( 20.83%)d 4.47( 26.27%) f 5.67( 33.29%)g 2.34( 13.74%) 406. (0.00000) RY (27) S 5 s( 14.67%)p 0.92( 13.53%)d 1.75( 25.67%) f 2.19( 32.09%)g 0.96( 14.05%) 407. (0.00000) RY (28) S 5 s( 1.25%)p12.29( 15.35%)d26.90( 33.60%) f18.28( 22.84%)g21.59( 26.97%) 408. (0.00000) RY (29) S 5 s( 18.21%)p 0.33( 6.05%)d 1.61( 29.26%) f 1.63( 29.76%)g 0.92( 16.72%) 409. (0.00000) RY (30) S 5 s( 2.06%)p 6.54( 13.47%)d 7.83( 16.11%) f15.53( 31.97%)g17.68( 36.39%) 410. (0.00000) RY (31) S 5 s( 2.56%)p 7.73( 19.79%)d10.31( 26.38%) f12.43( 31.81%)g 7.60( 19.46%) 411. (0.00000) RY (32) S 5 s( 7.76%)p 6.08( 47.20%)d 3.39( 26.29%) f 1.80( 13.95%)g 0.62( 4.81%) 412. (0.00000) RY (33) S 5 s( 4.96%)p 4.65( 23.05%)d 5.19( 25.73%) f 6.62( 32.84%)g 2.70( 13.41%) 413. (0.00000) RY (34) S 5 s( 8.41%)p 3.00( 25.20%)d 4.32( 36.37%) f 2.02( 16.96%)g 1.55( 13.06%) 414. (0.00000) RY (35) S 5 s( 2.79%)p 2.24( 6.24%)d11.75( 32.76%) f 8.88( 24.76%)g11.99( 33.45%) 415. (0.00000) RY (36) S 5 s( 3.79%)p 5.41( 20.50%)d 6.42( 24.32%) f 9.30( 35.28%)g 4.25( 16.11%) 416. (0.00000) RY (37) S 5 s( 3.97%)p 1.30( 5.15%)d 4.39( 17.45%) f15.60( 62.02%)g 2.87( 11.41%) 417. (0.00000) RY (38) S 5 s( 6.08%)p 1.97( 11.97%)d 5.32( 32.31%) f 7.37( 44.79%)g 0.80( 4.85%) 418. (0.00000) RY (39) S 5 s( 10.25%)p 2.57( 26.37%)d 2.52( 25.83%) f 3.57( 36.63%)g 0.09( 0.91%) 419. (0.00000) RY (40) S 5 s( 0.46%)p27.14( 12.42%)d99.99( 45.89%) f66.94( 30.63%)g23.18( 10.61%) 420. (0.00000) RY (41) S 5 s( 6.02%)p 2.63( 15.85%)d 5.21( 31.36%) f 7.21( 43.39%)g 0.56( 3.38%) 421. (0.00000) RY (42) S 5 s( 11.50%)p 2.04( 23.40%)d 2.74( 31.55%) f 2.49( 28.57%)g 0.43( 4.98%) 422. (0.00000) RY (43) S 5 s( 3.15%)p 6.11( 19.24%)d15.29( 48.15%) f 7.86( 24.74%)g 1.50( 4.73%) 423. (0.00000) RY (44) S 5 s( 5.23%)p 0.51( 2.68%)d14.32( 74.81%) f 3.02( 15.79%)g 0.29( 1.50%) 424. (0.00000) RY (45) S 5 s( 5.25%)p 1.72( 9.03%)d11.86( 62.31%) f 4.14( 21.77%)g 0.31( 1.64%) 425. (0.00000) RY (46) S 5 s( 22.36%)p 0.97( 21.58%)d 1.14( 25.45%) f 1.29( 28.86%)g 0.08( 1.75%) 426. (0.00000) RY (47) S 5 s( 4.66%)p 5.54( 25.83%)d 4.08( 19.00%) f10.38( 48.39%)g 0.45( 2.12%) 427. (0.00000) RY (48) S 5 s( 98.90%)p 0.01( 0.79%)d 0.00( 0.12%) f 0.00( 0.11%)g 0.00( 0.07%) 428. (0.00000) RY (49) S 5 s( 89.34%)p 0.06( 5.43%)d 0.04( 3.91%) f 0.01( 0.83%)g 0.01( 0.48%) 429. (0.00000) RY (50) S 5 s( 4.75%)p11.91( 56.62%)d 6.99( 33.22%) f 0.55( 2.62%)g 0.59( 2.80%) 430. (0.00000) RY (51) S 5 s( 14.61%)p 4.57( 66.68%)d 0.61( 8.94%) f 0.18( 2.70%)g 0.48( 7.08%) 431. (0.00000) RY (52) S 5 s( 31.93%)p 1.13( 36.11%)d 0.79( 25.36%) f 0.15( 4.78%)g 0.06( 1.82%) 432. (0.00000) RY (53) S 5 s( 28.67%)p 1.25( 35.75%)d 0.96( 27.41%) f 0.11( 3.09%)g 0.18( 5.09%) 433. (0.00000) RY (54) S 5 s( 3.22%)p 9.38( 30.19%)d 9.31( 29.96%) f 3.51( 11.30%)g 7.87( 25.34%) 434. (0.00000) RY (55) S 5 s( 17.56%)p 1.68( 29.41%)d 0.53( 9.23%) f 0.58( 10.16%)g 1.92( 33.64%) 435. (0.00000) RY (56) S 5 s( 1.55%)p 5.45( 8.43%)d20.04( 31.00%) f12.71( 19.66%)g25.45( 39.37%) 436. (0.00000) RY (57) S 5 s( 1.06%)p 3.85( 4.08%)d19.10( 20.24%) f36.00( 38.15%)g34.41( 36.46%) 437. (0.00000) RY (58) S 5 s( 5.49%)p 0.71( 3.88%)d 3.29( 18.05%) f 6.89( 37.79%)g 6.34( 34.79%) 438. (0.00000) RY (59) S 5 s( 1.04%)p 4.56( 4.75%)d11.22( 11.67%) f14.07( 14.63%)g65.32( 67.92%) 439. (0.00000) RY (60) S 5 s( 7.02%)p 0.78( 5.48%)d 6.95( 48.79%) f 2.80( 19.66%)g 2.72( 19.05%) 440. (0.00000) RY (61) S 5 s( 5.75%)p 0.73( 4.21%)d 4.42( 25.43%) f 6.41( 36.89%)g 4.82( 27.72%) 441. (0.00561) RY ( 1) S 6 s( 3.86%)p 5.01( 19.35%)d19.58( 75.65%) f 0.28( 1.06%)g 0.02( 0.07%) 0.0000 0.0000 -0.0045 0.1965 0.0023 0.0016 0.0008 -0.0001 0.0000 0.0000 0.0372 0.1133 0.0136 -0.0071 0.0002 0.0000 -0.0057 -0.4105 0.0351 0.0072 -0.0001 0.0000 -0.0154 0.0919 -0.0218 -0.0046 0.0003 0.2644 0.0432 -0.0009 -0.0010 -0.4833 -0.1153 -0.0041 0.0002 0.2394 0.0567 0.0017 -0.0009 0.5851 0.1184 0.0110 -0.0011 -0.1435 -0.0142 0.0003 -0.0002 -0.0023 -0.0199 0.0233 0.0474 -0.0010 -0.0201 -0.0073 -0.0368 -0.0247 -0.0322 -0.0543 -0.0278 0.0005 0.0159 0.0121 0.0096 -0.0037 0.0055 0.0083 -0.0039 -0.0072 0.0179 0.0027 442. (0.00236) RY ( 2) S 6 s( 0.51%)p20.48( 10.37%)d99.99( 84.88%) f 7.90( 4.00%)g 0.47( 0.24%) 0.0000 0.0000 0.0016 0.0711 -0.0005 -0.0031 0.0011 0.0003 0.0001 0.0000 -0.0727 0.1837 0.0143 0.0066 0.0004 0.0000 -0.0049 0.2210 0.0513 -0.0036 0.0004 0.0000 0.0243 0.1096 0.0147 -0.0100 -0.0006 0.7807 0.1306 0.0011 -0.0024 -0.1544 0.0111 0.0031 0.0010 -0.3618 -0.0416 -0.0163 0.0048 -0.2453 -0.0312 -0.0217 0.0021 0.0110 -0.0597 0.0087 0.0007 -0.0445 0.0266 0.0424 -0.0356 0.0454 0.0382 0.0695 0.0664 -0.0360 -0.0192 -0.0411 -0.0497 -0.0955 -0.0810 -0.0178 0.0130 -0.0002 -0.0181 -0.0003 0.0103 0.0112 0.0245 0.0273 443. (0.00163) RY ( 3) S 6 s( 5.39%)p10.01( 53.94%)d 7.23( 38.96%) f 0.31( 1.65%)g 0.01( 0.05%) 0.0000 0.0000 0.0048 0.2320 0.0062 -0.0054 -0.0020 0.0001 0.0002 0.0000 -0.0457 -0.0621 0.0141 0.0309 0.0003 0.0000 0.0008 -0.3178 0.0373 0.0071 0.0004 0.0000 0.0021 -0.6449 -0.1184 0.0028 0.0003 0.0113 0.0159 0.0066 0.0010 -0.2246 0.1322 -0.0381 0.0022 -0.1109 -0.0714 -0.0145 0.0007 -0.1748 -0.0580 -0.0125 -0.0010 0.4644 0.2280 0.0206 -0.0028 0.0156 -0.0512 -0.0458 0.0391 0.0238 0.0582 0.0453 -0.0017 -0.0382 0.0148 -0.0216 0.0133 0.0084 -0.0407 -0.0055 -0.0146 -0.0092 -0.0046 0.0028 0.0101 0.0052 0.0053 -0.0023 444. (0.00135) RY ( 4) S 6 s( 1.05%)p32.50( 34.15%)d59.77( 62.80%) f 1.78( 1.87%)g 0.12( 0.12%) 0.0000 0.0000 -0.0067 0.1023 0.0008 -0.0001 0.0022 -0.0002 0.0000 0.0000 0.0456 -0.4822 -0.0502 0.0102 0.0001 0.0000 0.0062 -0.2829 0.0454 0.0000 0.0008 0.0000 0.0038 -0.1073 0.1026 -0.0039 0.0007 0.3607 0.1007 -0.0152 -0.0016 0.5887 0.2375 -0.0131 0.0013 0.0090 0.0304 0.0016 -0.0003 0.1870 0.1516 -0.0054 -0.0007 -0.0431 -0.1531 0.0119 0.0003 0.0281 0.0658 -0.0253 -0.0185 -0.0221 -0.0035 -0.0312 -0.0818 0.0382 0.0130 -0.0052 -0.0476 -0.0181 -0.0141 0.0041 -0.0091 0.0104 0.0007 -0.0225 0.0115 -0.0122 0.0123 0.0097 445. (0.00056) RY ( 5) S 6 s( 35.86%)p 0.56( 19.96%)d 1.16( 41.75%) f 0.06( 2.07%)g 0.01( 0.37%) 0.0000 0.0000 -0.0085 0.5955 0.0618 0.0062 0.0010 0.0003 0.0004 0.0000 0.0677 0.0157 0.1584 0.0112 0.0002 0.0000 -0.0057 0.3519 0.1331 0.0095 -0.0002 0.0000 -0.0025 -0.1438 -0.0749 -0.0394 -0.0006 -0.2408 0.1989 -0.0108 0.0012 0.0876 -0.0379 -0.0234 -0.0010 -0.3726 -0.1290 -0.0048 0.0043 0.3301 -0.0706 0.0219 -0.0006 -0.1943 -0.0496 0.0000 0.0027 0.0180 0.0647 0.0486 0.0215 0.0741 0.0243 -0.0105 0.0094 0.0100 -0.0549 -0.0140 -0.0406 0.0336 0.0314 -0.0108 -0.0217 0.0051 -0.0309 0.0255 0.0224 -0.0093 -0.0051 -0.0295 446. (0.00032) RY ( 6) S 6 s( 1.02%)p15.20( 15.50%)d75.37( 76.89%) f 6.15( 6.27%)g 0.31( 0.31%) 0.0000 0.0000 0.0107 -0.0201 0.0979 0.0103 -0.0007 0.0008 -0.0002 0.0000 0.0028 0.2929 -0.0862 -0.0109 0.0004 0.0000 0.0229 -0.0077 -0.0119 0.0068 0.0000 0.0000 -0.0052 -0.1252 -0.2118 -0.0187 0.0005 0.2052 -0.0669 0.0286 0.0040 0.4491 -0.4398 0.0327 -0.0018 0.1590 -0.1707 -0.0051 -0.0008 0.1178 -0.1031 0.0322 -0.0135 -0.0621 0.4909 -0.0150 0.0091 0.1734 -0.1262 0.0174 -0.0128 -0.0059 0.0651 -0.0230 0.0372 -0.0589 -0.0231 -0.0532 0.0382 -0.0367 0.0207 -0.0193 0.0172 -0.0214 0.0201 0.0040 -0.0078 0.0110 -0.0305 0.0218 447. (0.00024) RY ( 7) S 6 s( 0.34%)p99.99( 41.94%)d99.99( 51.71%) f17.07( 5.80%)g 0.63( 0.21%) 0.0000 0.0000 0.0099 0.0543 -0.0136 -0.0129 0.0021 -0.0005 0.0000 0.0000 -0.0208 0.5765 0.1426 0.0007 0.0006 0.0000 0.0141 -0.1509 0.1585 -0.0081 0.0004 0.0000 0.0081 0.0589 0.1202 -0.0092 0.0009 -0.0752 0.4046 -0.0346 0.0057 0.2626 0.0270 -0.0238 -0.0023 0.2018 -0.0085 0.0167 -0.0075 -0.0323 0.0556 0.0147 -0.0009 0.3688 -0.3076 0.0113 -0.0048 -0.0378 0.0758 -0.0028 0.0084 0.0429 -0.0507 -0.0071 -0.0882 0.0250 -0.0560 0.1624 -0.0778 -0.0326 0.0354 -0.0029 -0.0093 0.0146 0.0101 0.0164 0.0359 -0.0088 -0.0095 -0.0020 448. (0.00022) RY ( 8) S 6 s( 5.49%)p 2.23( 12.27%)d13.86( 76.08%) f 1.09( 5.97%)g 0.03( 0.19%) 0.0000 0.0000 0.0135 0.2335 0.0133 -0.0010 -0.0001 -0.0004 0.0003 0.0000 -0.0127 -0.1278 -0.0943 0.0245 0.0008 0.0000 0.0226 0.2324 0.1678 -0.0107 -0.0002 0.0000 -0.0471 -0.1064 -0.0157 0.0119 -0.0005 0.0979 0.1394 -0.0329 0.0025 -0.1246 0.1903 -0.0118 -0.0054 0.6512 -0.3031 0.0807 -0.0173 -0.2696 -0.1483 0.0085 -0.0005 -0.2440 -0.0042 -0.0401 0.0122 0.0186 0.0109 0.0492 0.0009 0.0202 -0.0777 -0.1440 0.0475 -0.0716 0.0056 0.0928 -0.0977 -0.0049 -0.0637 0.0050 -0.0159 -0.0173 0.0092 0.0282 0.0158 0.0019 -0.0102 -0.0079 449. (0.00019) RY ( 9) S 6 s( 1.52%)p20.35( 30.82%)d41.43( 62.77%) f 3.01( 4.57%)g 0.22( 0.33%) 0.0000 0.0000 0.0043 0.1089 -0.0560 -0.0115 -0.0032 -0.0006 0.0001 0.0000 -0.0066 0.2957 0.1025 0.0147 -0.0014 0.0000 -0.0223 -0.2407 -0.2888 0.0367 -0.0017 0.0000 -0.0142 -0.1131 -0.2269 0.0484 -0.0007 -0.0598 0.0316 -0.0064 -0.0069 0.0449 0.2436 -0.0907 0.0013 -0.0858 0.0757 -0.0128 0.0020 -0.3043 0.3746 -0.0450 0.0181 -0.5452 0.0873 -0.0049 -0.0015 0.0537 0.0139 -0.0706 0.0152 -0.0436 -0.0094 0.0549 -0.0838 0.0478 0.0066 0.0957 -0.0411 -0.0762 0.0796 0.0154 -0.0190 -0.0008 -0.0053 0.0085 0.0102 -0.0454 0.0156 -0.0128 450. (0.00012) RY (10) S 6 s( 4.08%)p 4.78( 19.49%)d16.38( 66.82%) f 2.23( 9.08%)g 0.13( 0.53%) 0.0000 0.0000 0.0043 0.0589 0.1814 0.0663 -0.0036 -0.0016 -0.0005 0.0000 -0.0082 -0.0044 0.0819 -0.0575 0.0027 0.0000 0.0106 0.3247 -0.1280 0.0076 -0.0012 0.0000 -0.0039 -0.2226 0.1076 -0.0410 0.0039 0.1002 -0.3819 0.0127 -0.0121 -0.0246 -0.1951 0.0142 0.0046 0.1418 -0.1334 -0.0499 -0.0013 0.0509 0.5912 0.0088 0.0189 0.1792 -0.2178 0.0202 -0.0134 0.0050 0.0056 -0.1350 0.1241 -0.0090 0.0105 0.0200 -0.0132 -0.0585 -0.0267 0.1798 -0.0901 -0.0323 0.1036 0.0087 0.0423 0.0122 0.0025 0.0002 -0.0490 0.0150 -0.0189 -0.0173 451. (0.00006) RY (11) S 6 s( 8.43%)p 2.51( 21.12%)d 6.50( 54.81%) f 1.79( 15.12%)g 0.06( 0.52%) 452. (0.00004) RY (12) S 6 s( 16.86%)p 1.93( 32.54%)d 1.81( 30.56%) f 1.11( 18.79%)g 0.07( 1.25%) 453. (0.00003) RY (13) S 6 s( 3.39%)p11.24( 38.12%)d12.49( 42.34%) f 4.57( 15.50%)g 0.19( 0.65%) 454. (0.00003) RY (14) S 6 s( 11.06%)p 3.77( 41.72%)d 3.17( 35.05%) f 1.07( 11.83%)g 0.03( 0.34%) 455. (0.00002) RY (15) S 6 s( 13.02%)p 0.88( 11.52%)d 0.96( 12.52%) f 4.60( 59.97%)g 0.23( 2.97%) 456. (0.00002) RY (16) S 6 s( 2.13%)p15.08( 32.20%)d19.83( 42.33%) f10.41( 22.23%)g 0.52( 1.11%) 457. (0.00001) RY (17) S 6 s( 1.71%)p16.78( 28.65%)d12.69( 21.66%) f25.60( 43.71%)g 2.51( 4.28%) 458. (0.00001) RY (18) S 6 s( 5.96%)p 3.34( 19.91%)d 1.33( 7.92%) f10.80( 64.33%)g 0.32( 1.88%) 459. (0.00001) RY (19) S 6 s( 9.04%)p 2.07( 18.73%)d 2.42( 21.85%) f 5.00( 45.22%)g 0.57( 5.16%) 460. (0.00001) RY (20) S 6 s( 0.42%)p 9.05( 3.80%)d45.51( 19.13%) f99.99( 73.11%)g 8.43( 3.54%) 461. (0.00000) RY (21) S 6 s( 2.44%)p 3.60( 8.80%)d 6.31( 15.40%) f19.00( 46.41%)g11.03( 26.94%) 462. (0.00000) RY (22) S 6 s( 0.83%)p14.20( 11.76%)d39.95( 33.08%) f31.46( 26.05%)g34.17( 28.29%) 463. (0.00000) RY (23) S 6 s( 17.32%)p 0.40( 6.88%)d 2.07( 35.92%) f 1.37( 23.77%)g 0.93( 16.11%) 464. (0.00000) RY (24) S 6 s( 1.07%)p 6.10( 6.50%)d28.05( 29.88%) f30.40( 32.38%)g28.32( 30.17%) 465. (0.00000) RY (25) S 6 s( 5.99%)p 3.30( 19.76%)d 2.59( 15.50%) f 3.80( 22.73%)g 6.01( 36.01%) 466. (0.00000) RY (26) S 6 s( 3.44%)p 6.38( 21.93%)d 6.94( 23.87%) f 3.74( 12.86%)g11.03( 37.90%) 467. (0.00000) RY (27) S 6 s( 20.94%)p 0.25( 5.24%)d 0.60( 12.55%) f 2.28( 47.85%)g 0.64( 13.42%) 468. (0.00000) RY (28) S 6 s( 4.31%)p 3.28( 14.14%)d 2.67( 11.53%) f10.75( 46.36%)g 5.48( 23.66%) 469. (0.00000) RY (29) S 6 s( 2.47%)p 9.14( 22.58%)d13.95( 34.48%) f10.61( 26.22%)g 5.77( 14.25%) 470. (0.00000) RY (30) S 6 s( 4.02%)p 2.13( 8.56%)d 8.81( 35.42%) f 9.16( 36.84%)g 3.77( 15.16%) 471. (0.00000) RY (31) S 6 s( 3.99%)p 1.85( 7.38%)d 4.94( 19.71%) f 9.44( 37.63%)g 7.85( 31.29%) 472. (0.00000) RY (32) S 6 s( 3.41%)p 8.38( 28.63%)d 5.31( 18.15%) f 7.11( 24.26%)g 7.48( 25.54%) 473. (0.00000) RY (33) S 6 s( 1.15%)p 9.32( 10.73%)d34.53( 39.75%) f34.61( 39.84%)g 7.42( 8.54%) 474. (0.00000) RY (34) S 6 s( 9.37%)p 2.79( 26.16%)d 3.79( 35.52%) f 2.21( 20.72%)g 0.88( 8.22%) 475. (0.00000) RY (35) S 6 s( 0.95%)p16.40( 15.64%)d41.53( 39.62%) f36.43( 34.75%)g 9.46( 9.03%) 476. (0.00000) RY (36) S 6 s( 2.34%)p11.19( 26.21%)d20.82( 48.76%) f 8.01( 18.76%)g 1.68( 3.93%) 477. (0.00000) RY (37) S 6 s( 1.78%)p 4.07( 7.25%)d21.07( 37.50%) f25.76( 45.85%)g 4.28( 7.62%) 478. (0.00000) RY (38) S 6 s( 0.98%)p14.56( 14.26%)d54.73( 53.61%) f25.30( 24.78%)g 6.51( 6.37%) 479. (0.00000) RY (39) S 6 s( 5.72%)p 1.44( 8.23%)d 6.45( 36.85%) f 7.31( 41.79%)g 1.30( 7.41%) 480. (0.00000) RY (40) S 6 s( 5.63%)p 3.38( 19.02%)d 4.36( 24.51%) f 8.53( 47.98%)g 0.51( 2.87%) 481. (0.00000) RY (41) S 6 s( 5.22%)p 5.26( 27.47%)d 3.62( 18.91%) f 7.35( 38.41%)g 1.91( 9.99%) 482. (0.00000) RY (42) S 6 s( 5.92%)p 1.93( 11.41%)d 3.04( 17.98%) f10.38( 61.39%)g 0.56( 3.30%) 483. (0.00000) RY (43) S 6 s( 36.73%)p 0.68( 24.98%)d 0.46( 17.06%) f 0.54( 19.79%)g 0.04( 1.45%) 484. (0.00000) RY (44) S 6 s( 97.44%)p 0.02( 2.08%)d 0.00( 0.29%) f 0.00( 0.05%)g 0.00( 0.13%) 485. (0.00000) RY (45) S 6 s( 91.09%)p 0.08( 7.53%)d 0.01( 0.53%) f 0.00( 0.16%)g 0.01( 0.69%) 486. (0.00000) RY (46) S 6 s( 8.09%)p10.21( 82.58%)d 0.76( 6.12%) f 0.05( 0.43%)g 0.34( 2.78%) 487. (0.00000) RY (47) S 6 s( 7.25%)p 3.36( 24.32%)d 8.23( 59.64%) f 0.25( 1.81%)g 0.96( 6.98%) 488. (0.00000) RY (48) S 6 s( 17.05%)p 3.62( 61.68%)d 0.72( 12.29%) f 0.10( 1.78%)g 0.42( 7.21%) 489. (0.00000) RY (49) S 6 s( 29.92%)p 0.72( 21.40%)d 0.91( 27.29%) f 0.20( 6.09%)g 0.51( 15.31%) 490. (0.00000) RY (50) S 6 s( 14.79%)p 0.09( 1.29%)d 0.56( 8.30%) f 0.84( 12.47%)g 4.27( 63.15%) 491. (0.00000) RY (51) S 6 s( 5.09%)p 7.70( 39.17%)d 5.44( 27.67%) f 2.47( 12.57%)g 3.05( 15.50%) 492. (0.00000) RY (52) S 6 s( 10.50%)p 0.79( 8.31%)d 0.88( 9.24%) f 0.65( 6.83%)g 6.20( 65.11%) 493. (0.00000) RY (53) S 6 s( 2.58%)p13.37( 34.54%)d10.99( 28.38%) f 2.32( 5.98%)g11.04( 28.51%) 494. (0.00000) RY (54) S 6 s( 8.92%)p 0.77( 6.83%)d 2.35( 20.95%) f 2.38( 21.24%)g 4.72( 42.05%) 495. (0.00000) RY (55) S 6 s( 3.14%)p 2.30( 7.24%)d 6.73( 21.15%) f 4.01( 12.61%)g17.76( 55.86%) 496. (0.00000) RY (56) S 6 s( 0.88%)p 8.86( 7.84%)d61.37( 54.25%) f29.78( 26.33%)g12.11( 10.71%) 497. (0.00000) RY (57) S 6 s( 5.04%)p 1.04( 5.24%)d 5.87( 29.60%) f 2.68( 13.53%)g 9.24( 46.59%) 498. (0.00000) RY (58) S 6 s( 6.70%)p 1.43( 9.61%)d 3.52( 23.57%) f 1.26( 8.47%)g 7.71( 51.66%) 499. (0.00000) RY (59) S 6 s( 2.29%)p 1.73( 3.97%)d 6.25( 14.33%) f12.66( 29.04%)g21.96( 50.36%) 500. (0.00000) RY (60) S 6 s( 8.36%)p 0.99( 8.25%)d 4.16( 34.77%) f 3.99( 33.31%)g 1.83( 15.31%) 501. (0.00000) RY (61) S 6 s( 3.61%)p 2.94( 10.62%)d10.46( 37.73%) f 4.88( 17.59%)g 8.44( 30.46%) 502. (0.00127) RY ( 1) C 7 s( 44.90%)p 0.96( 43.31%)d 0.24( 10.86%) f 0.02( 0.72%)g 0.00( 0.21%) 0.0000 0.0123 0.6686 -0.0417 -0.0043 -0.0024 0.0013 -0.0057 -0.1837 0.0542 -0.0097 0.0039 0.1550 -0.0144 0.0052 -0.0269 0.6073 -0.0463 -0.0182 0.0667 0.0054 0.0078 -0.0229 -0.0541 0.0075 -0.0560 0.0616 -0.0083 -0.0816 0.0120 -0.0055 -0.2328 0.1803 0.0042 0.0689 -0.0294 0.0141 0.0010 0.0105 -0.0038 0.0076 0.0073 -0.0021 -0.0141 -0.0022 0.0011 0.0292 -0.0119 -0.0037 -0.0293 0.0170 -0.0123 0.0221 -0.0012 0.0157 -0.0004 0.0032 503. (0.00052) RY ( 2) C 7 s( 13.40%)p 4.29( 57.41%)d 1.89( 25.31%) f 0.27( 3.68%)g 0.02( 0.21%) 0.0000 0.0112 0.3536 -0.0930 -0.0051 0.0121 -0.0011 -0.0230 0.4752 -0.2083 0.0182 0.0098 -0.5271 0.0963 -0.0037 -0.0194 -0.0275 -0.1210 -0.0317 -0.1520 -0.0143 -0.0264 -0.3252 0.1600 0.0214 0.2098 -0.1500 -0.0098 0.0593 -0.0026 0.0130 -0.0801 -0.1398 0.0328 -0.0874 0.0465 0.0932 -0.0088 -0.1097 0.0251 0.0231 -0.0061 -0.0509 0.0246 0.0113 -0.0030 0.0357 0.0189 0.0052 -0.0400 0.0158 -0.0068 0.0064 0.0003 0.0011 0.0058 0.0079 504. (0.00027) RY ( 3) C 7 s( 1.32%)p51.34( 68.02%)d20.74( 27.48%) f 2.32( 3.08%)g 0.08( 0.10%) 0.0000 0.0009 0.1129 -0.0224 -0.0004 0.0007 0.0004 -0.0085 0.5239 -0.0393 0.0120 -0.0142 0.6158 -0.1185 0.0364 -0.0059 -0.0954 0.0005 0.0053 -0.0242 0.1021 -0.0076 0.1365 0.0752 0.0225 0.3916 0.0993 0.0346 -0.1771 0.2018 -0.0228 0.0153 -0.0391 0.0112 0.0052 0.0012 -0.0330 -0.0202 -0.0523 -0.0388 0.1190 -0.0462 0.0376 -0.0276 0.0787 -0.0177 0.0045 0.0013 -0.0043 -0.0076 0.0059 -0.0189 -0.0125 -0.0149 -0.0061 -0.0119 0.0034 505. (0.00018) RY ( 4) C 7 s( 4.30%)p 5.23( 22.51%)d15.97( 68.69%) f 0.99( 4.24%)g 0.06( 0.27%) 0.0000 -0.0054 0.1924 -0.0753 0.0149 -0.0076 0.0018 0.0043 -0.2182 0.3427 -0.0169 -0.0071 -0.0928 -0.1148 0.0200 -0.0067 -0.1090 -0.1553 0.0382 0.3248 0.0553 0.0189 -0.2377 -0.1002 -0.0011 0.3579 -0.0646 0.0035 -0.2269 -0.0884 -0.0042 0.5597 -0.0704 0.0412 0.0056 -0.0228 -0.1034 0.0190 -0.0067 0.0075 0.0885 0.0033 -0.1168 -0.0065 0.0237 0.0030 -0.0925 0.0024 -0.0363 0.0046 -0.0152 -0.0091 0.0048 -0.0218 0.0222 -0.0040 -0.0034 506. (0.00011) RY ( 5) C 7 s( 3.13%)p11.84( 37.09%)d17.25( 54.03%) f 1.79( 5.61%)g 0.05( 0.14%) 0.0000 -0.0014 0.1714 0.0394 0.0152 -0.0126 0.0025 0.0264 0.4939 0.2665 -0.0482 -0.0042 -0.1564 0.0249 0.0250 -0.0028 -0.1491 0.0662 0.0226 0.3014 -0.0222 0.0237 0.1364 -0.1347 -0.0181 -0.5610 0.1425 -0.0243 -0.2487 0.0270 -0.0047 0.0882 0.0713 -0.0161 0.0592 -0.0251 0.0264 -0.0034 0.1886 -0.0139 -0.0526 0.0074 -0.0045 -0.0044 -0.0563 0.0052 -0.0964 -0.0108 -0.0117 0.0098 -0.0120 -0.0021 0.0169 0.0184 -0.0166 0.0062 -0.0110 507. (0.00009) RY ( 6) C 7 s( 0.72%)p29.98( 21.61%)d94.45( 68.09%) f12.83( 9.25%)g 0.45( 0.32%) 508. (0.00008) RY ( 7) C 7 s( 5.87%)p 4.44( 26.09%)d10.24( 60.16%) f 1.32( 7.75%)g 0.02( 0.12%) 509. (0.00005) RY ( 8) C 7 s( 5.86%)p 8.63( 50.60%)d 6.97( 40.87%) f 0.42( 2.48%)g 0.03( 0.19%) 510. (0.00002) RY ( 9) C 7 s( 5.89%)p 2.13( 12.55%)d 9.62( 56.60%) f 3.91( 23.00%)g 0.33( 1.97%) 511. (0.00002) RY (10) C 7 s( 9.15%)p 1.40( 12.80%)d 4.09( 37.41%) f 4.11( 37.62%)g 0.33( 3.02%) 512. (0.00001) RY (11) C 7 s( 6.17%)p 6.06( 37.42%)d 6.05( 37.32%) f 2.76( 17.06%)g 0.33( 2.02%) 513. (0.00001) RY (12) C 7 s( 0.28%)p99.99( 52.85%)d99.99( 34.57%) f36.00( 10.17%)g 7.53( 2.13%) 514. (0.00001) RY (13) C 7 s( 3.46%)p13.78( 47.69%)d 9.42( 32.58%) f 4.15( 14.36%)g 0.55( 1.90%) 515. (0.00001) RY (14) C 7 s( 0.96%)p22.34( 21.41%)d50.85( 48.73%) f28.30( 27.12%)g 1.85( 1.77%) 516. (0.00000) RY (15) C 7 s( 4.79%)p 1.92( 9.19%)d 6.45( 30.90%) f11.18( 53.57%)g 0.32( 1.55%) 517. (0.00000) RY (16) C 7 s( 36.44%)p 0.13( 4.62%)d 0.53( 19.46%) f 1.06( 38.79%)g 0.02( 0.70%) 518. (0.00000) RY (17) C 7 s( 4.61%)p 0.17( 0.79%)d 1.85( 8.53%) f 8.40( 38.70%)g10.28( 47.37%) 519. (0.00000) RY (18) C 7 s( 4.83%)p 2.86( 13.79%)d 2.36( 11.41%) f 5.75( 27.78%)g 8.73( 42.19%) 520. (0.00000) RY (19) C 7 s( 19.35%)p 0.05( 0.99%)d 0.42( 8.06%) f 2.39( 46.25%)g 1.31( 25.36%) 521. (0.00000) RY (20) C 7 s( 1.75%)p 0.34( 0.60%)d16.40( 28.74%) f14.05( 24.62%)g25.28( 44.30%) 522. (0.00000) RY (21) C 7 s( 2.06%)p 7.31( 15.04%)d28.59( 58.77%) f 6.75( 13.88%)g 4.99( 10.26%) 523. (0.00000) RY (22) C 7 s( 25.92%)p 0.14( 3.66%)d 0.70( 18.15%) f 0.72( 18.77%)g 1.29( 33.50%) 524. (0.00000) RY (23) C 7 s( 2.52%)p 3.76( 9.45%)d10.99( 27.66%) f 5.11( 12.85%)g18.89( 47.52%) 525. (0.00000) RY (24) C 7 s( 22.50%)p 0.98( 22.12%)d 1.02( 22.96%) f 1.01( 22.73%)g 0.43( 9.70%) 526. (0.00000) RY (25) C 7 s( 12.76%)p 1.17( 14.88%)d 1.30( 16.61%) f 2.25( 28.74%)g 2.12( 27.02%) 527. (0.00000) RY (26) C 7 s( 11.57%)p 2.18( 25.22%)d 2.64( 30.52%) f 2.06( 23.86%)g 0.76( 8.83%) 528. (0.00000) RY (27) C 7 s( 19.37%)p 0.60( 11.53%)d 1.07( 20.81%) f 0.57( 11.07%)g 1.92( 37.22%) 529. (0.00000) RY (28) C 7 s( 7.14%)p 3.85( 27.49%)d 3.18( 22.72%) f 3.46( 24.72%)g 2.51( 17.93%) 530. (0.00000) RY (29) C 7 s( 14.34%)p 1.68( 24.09%)d 1.30( 18.65%) f 1.15( 16.44%)g 1.85( 26.49%) 531. (0.00000) RY (30) C 7 s( 5.86%)p 3.09( 18.11%)d 5.37( 31.47%) f 4.00( 23.44%)g 3.61( 21.12%) 532. (0.00000) RY (31) C 7 s( 5.35%)p 5.82( 31.18%)d 3.47( 18.55%) f 4.25( 22.74%)g 4.14( 22.18%) 533. (0.00000) RY (32) C 7 s( 7.61%)p 1.11( 8.45%)d 3.85( 29.32%) f 4.45( 33.89%)g 2.72( 20.73%) 534. (0.00000) RY (33) C 7 s( 7.80%)p 1.57( 12.24%)d 3.07( 23.97%) f 5.26( 40.98%)g 1.93( 15.01%) 535. (0.00000) RY (34) C 7 s( 20.17%)p 0.29( 5.86%)d 0.69( 13.90%) f 2.82( 56.82%)g 0.16( 3.25%) 536. (0.00000) RY (35) C 7 s( 4.71%)p 2.51( 11.85%)d 6.50( 30.63%) f 9.08( 42.81%)g 2.12( 10.01%) 537. (0.00000) RY (36) C 7 s( 4.60%)p 1.30( 5.97%)d11.83( 54.45%) f 4.98( 22.94%)g 2.62( 12.04%) 538. (0.00000) RY (37) C 7 s( 6.87%)p 1.35( 9.24%)d 9.84( 67.54%) f 1.90( 13.08%)g 0.48( 3.27%) 539. (0.00000) RY (38) C 7 s( 8.15%)p 0.90( 7.36%)d 4.97( 40.51%) f 3.97( 32.39%)g 1.42( 11.59%) 540. (0.00000) RY (39) C 7 s( 1.53%)p 3.21( 4.91%)d20.52( 31.33%) f30.71( 46.88%)g10.06( 15.36%) 541. (0.00000) RY (40) C 7 s( 1.81%)p25.28( 45.71%)d16.22( 29.34%) f11.60( 20.98%)g 1.19( 2.16%) 542. (0.00000) RY (41) C 7 s( 7.42%)p 1.15( 8.52%)d 4.50( 33.40%) f 6.49( 48.21%)g 0.33( 2.45%) 543. (0.00000) RY (42) C 7 s( 84.54%)p 0.01( 0.57%)d 0.05( 4.15%) f 0.07( 5.54%)g 0.06( 5.21%) 544. (0.00000) RY (43) C 7 s( 0.41%)p 4.97( 2.03%)d14.76( 6.03%) f99.99( 54.89%)g89.67( 36.64%) 545. (0.00000) RY (44) C 7 s( 0.54%)p 2.47( 1.32%)d18.33( 9.81%) f99.99( 64.14%)g45.21( 24.19%) 546. (0.00000) RY (45) C 7 s( 7.39%)p 0.05( 0.39%)d 1.50( 11.08%) f 3.42( 25.24%)g 7.57( 55.90%) 547. (0.00000) RY (46) C 7 s( 0.73%)p 5.38( 3.95%)d28.01( 20.58%) f44.10( 32.40%)g57.61( 42.33%) 548. (0.00000) RY (47) C 7 s( 1.05%)p 1.31( 1.38%)d11.59( 12.19%) f31.90( 33.55%)g49.28( 51.83%) 549. (0.00000) RY (48) C 7 s( 5.70%)p 1.16( 6.59%)d 0.84( 4.76%) f 9.78( 55.73%)g 4.77( 27.22%) 550. (0.00000) RY (49) C 7 s( 12.10%)p 0.55( 6.61%)d 2.30( 27.84%) f 3.49( 42.16%)g 0.93( 11.29%) 551. (0.00000) RY (50) C 7 s( 3.25%)p 0.20( 0.66%)d 2.95( 9.62%) f12.76( 41.53%)g13.81( 44.95%) 552. (0.00000) RY (51) C 7 s( 5.36%)p 1.74( 9.32%)d 5.15( 27.63%) f 5.72( 30.67%)g 5.04( 27.02%) 553. (0.00000) RY (52) C 7 s( 1.86%)p 2.00( 3.73%)d 7.83( 14.57%) f21.47( 39.96%)g21.42( 39.88%) 554. (0.00133) RY ( 1) C 8 s( 37.45%)p 1.34( 50.31%)d 0.30( 11.27%) f 0.02( 0.83%)g 0.00( 0.14%) 0.0000 0.0110 0.6110 -0.0328 -0.0055 -0.0006 0.0002 0.0088 -0.6052 0.0493 -0.0060 0.0196 -0.2517 -0.0567 0.0187 0.0119 -0.2585 -0.0055 0.0049 -0.0861 0.1531 0.0054 -0.1453 0.1237 -0.0061 -0.1588 0.0825 0.0000 0.0125 0.0194 -0.0058 0.1083 -0.0319 0.0094 0.0373 -0.0018 0.0155 -0.0048 -0.0163 0.0107 -0.0027 0.0022 -0.0572 0.0244 0.0381 -0.0301 -0.0053 0.0050 0.0048 -0.0037 0.0211 0.0026 -0.0022 0.0027 0.0260 -0.0118 -0.0066 555. (0.00055) RY ( 2) C 8 s( 19.72%)p 3.29( 64.80%)d 0.62( 12.19%) f 0.15( 2.96%)g 0.02( 0.33%) 0.0000 0.0123 0.4353 -0.0858 0.0050 0.0132 0.0016 -0.0053 0.6034 -0.2350 0.0157 0.0249 -0.4008 0.2512 0.0227 0.0099 -0.0550 0.0081 0.0188 -0.1836 -0.0777 -0.0168 -0.0037 -0.0750 0.0070 -0.1005 0.0038 0.0320 0.2342 -0.0939 -0.0221 -0.0177 0.0052 -0.0236 -0.0018 0.0045 0.0351 0.0033 -0.0260 -0.0047 0.0574 -0.0137 0.0620 -0.0299 -0.0110 0.0291 0.1347 -0.0173 0.0012 0.0033 0.0160 0.0105 0.0044 -0.0057 0.0399 -0.0282 0.0224 556. (0.00029) RY ( 3) C 8 s( 0.31%)p99.99( 80.02%)d56.45( 17.43%) f 7.03( 2.17%)g 0.23( 0.07%) 0.0000 -0.0008 0.0553 0.0025 -0.0047 -0.0018 -0.0005 0.0093 -0.1264 0.0407 -0.0175 0.0064 -0.3329 -0.0160 -0.0156 -0.0093 0.8108 -0.1102 0.0340 0.1581 -0.0058 0.0226 -0.2083 0.1075 -0.0252 -0.0790 -0.1677 -0.0103 -0.0068 -0.1184 0.0045 -0.1631 -0.1324 -0.0227 -0.0232 0.0009 -0.0721 0.0024 0.0442 -0.0623 -0.0426 0.0259 -0.0671 0.0104 -0.0257 -0.0156 0.0416 -0.0197 -0.0024 0.0029 -0.0105 -0.0148 -0.0095 0.0077 0.0031 -0.0126 0.0068 557. (0.00023) RY ( 4) C 8 s( 8.44%)p 1.78( 15.02%)d 8.70( 73.40%) f 0.35( 2.96%)g 0.02( 0.17%) 0.0000 -0.0014 0.2681 -0.1115 -0.0065 -0.0041 -0.0005 -0.0076 -0.0364 0.3449 0.0151 0.0176 0.1152 0.0250 -0.0249 0.0029 0.0161 0.1200 -0.0122 0.5719 -0.1501 0.0347 0.4449 -0.1145 0.0076 0.0131 -0.1063 0.0382 0.3861 -0.0454 -0.0213 -0.0484 0.0716 -0.0091 0.0805 0.0024 -0.0083 0.0138 0.0502 -0.0122 0.0086 -0.0052 0.0518 -0.0109 -0.1292 0.0133 0.0194 0.0083 -0.0039 -0.0067 0.0274 0.0005 -0.0078 0.0257 0.0140 0.0006 -0.0005 558. (0.00013) RY ( 5) C 8 s( 0.23%)p56.08( 12.84%)d99.99( 70.65%) f69.95( 16.02%)g 1.13( 0.26%) 0.0000 -0.0024 0.0474 -0.0029 -0.0046 -0.0019 -0.0010 -0.0098 -0.0622 -0.0717 0.0081 -0.0037 -0.0087 -0.1358 0.0150 0.0202 0.2942 0.1082 -0.0426 -0.3167 0.0813 -0.0223 0.3499 -0.0246 0.0045 0.2816 -0.0861 0.0152 0.1340 -0.0593 0.0068 0.5877 -0.1440 0.0383 0.1266 -0.0127 0.1921 -0.0181 0.1605 -0.0182 -0.0219 0.0018 0.2003 -0.0196 0.1659 -0.0169 -0.1085 0.0106 0.0277 -0.0110 -0.0050 0.0318 0.0084 -0.0152 0.0006 0.0172 -0.0086 559. (0.00011) RY ( 6) C 8 s( 5.85%)p 5.54( 32.41%)d 9.78( 57.20%) f 0.76( 4.45%)g 0.02( 0.10%) 0.0000 -0.0049 0.2401 -0.0071 -0.0001 -0.0274 -0.0008 0.0284 0.4136 0.2832 -0.0760 -0.0131 0.0194 -0.1962 0.0171 0.0125 0.0288 -0.1567 -0.0359 0.3141 0.1389 -0.0002 -0.1772 0.0755 0.0002 -0.0154 0.0773 -0.0158 -0.4279 0.1813 -0.0078 0.4392 0.0308 0.0256 0.0589 -0.0055 -0.0806 -0.0015 0.0385 0.0325 0.0316 -0.0017 -0.0781 0.0221 -0.0360 -0.0193 -0.1501 0.0124 0.0239 0.0071 0.0075 -0.0026 -0.0033 0.0143 0.0013 0.0074 -0.0048 560. (0.00006) RY ( 7) C 8 s( 0.91%)p28.85( 26.19%)d77.18( 70.05%) f 2.80( 2.54%)g 0.35( 0.32%) 561. (0.00004) RY ( 8) C 8 s( 6.73%)p 6.68( 44.94%)d 6.31( 42.49%) f 0.78( 5.27%)g 0.08( 0.56%) 562. (0.00002) RY ( 9) C 8 s( 6.49%)p 1.98( 12.85%)d10.35( 67.15%) f 1.97( 12.80%)g 0.11( 0.71%) 563. (0.00002) RY (10) C 8 s( 2.09%)p18.28( 38.29%)d23.03( 48.24%) f 4.53( 9.49%)g 0.90( 1.88%) 564. (0.00002) RY (11) C 8 s( 8.76%)p 4.03( 35.31%)d 2.32( 20.28%) f 3.73( 32.63%)g 0.35( 3.03%) 565. (0.00001) RY (12) C 8 s( 4.89%)p 5.94( 29.05%)d 8.90( 43.51%) f 4.42( 21.62%)g 0.19( 0.94%) 566. (0.00001) RY (13) C 8 s( 1.08%)p18.67( 20.17%)d49.98( 54.00%) f22.30( 24.09%)g 0.61( 0.66%) 567. (0.00000) RY (14) C 8 s( 3.01%)p14.74( 44.45%)d 8.98( 27.06%) f 8.04( 24.24%)g 0.41( 1.23%) 568. (0.00000) RY (15) C 8 s( 30.87%)p 0.28( 8.64%)d 0.75( 23.23%) f 1.18( 36.50%)g 0.02( 0.77%) 569. (0.00000) RY (16) C 8 s( 14.33%)p 1.29( 18.46%)d 2.41( 34.58%) f 2.24( 32.10%)g 0.04( 0.53%) 570. (0.00000) RY (17) C 8 s( 3.29%)p 2.48( 8.15%)d 3.69( 12.11%) f16.97( 55.76%)g 6.30( 20.69%) 571. (0.00000) RY (18) C 8 s( 7.85%)p 0.36( 2.84%)d 2.05( 16.09%) f 4.77( 37.45%)g 4.56( 35.78%) 572. (0.00000) RY (19) C 8 s( 7.22%)p 0.80( 5.80%)d 1.19( 8.56%) f 7.68( 55.46%)g 3.18( 22.96%) 573. (0.00000) RY (20) C 8 s( 0.77%)p 2.82( 2.18%)d49.55( 38.31%) f32.45( 25.09%)g43.54( 33.66%) 574. (0.00000) RY (21) C 8 s( 8.71%)p 1.16( 10.14%)d 2.45( 21.34%) f 2.28( 19.86%)g 4.59( 39.94%) 575. (0.00000) RY (22) C 8 s( 19.37%)p 0.29( 5.66%)d 1.53( 29.64%) f 1.25( 24.15%)g 1.09( 21.19%) 576. (0.00000) RY (23) C 8 s( 4.82%)p 2.71( 13.09%)d 9.11( 43.96%) f 3.21( 15.50%)g 4.69( 22.63%) 577. (0.00000) RY (24) C 8 s( 3.63%)p 0.89( 3.22%)d 9.12( 33.12%) f 5.35( 19.46%)g11.16( 40.57%) 578. (0.00000) RY (25) C 8 s( 4.99%)p 1.63( 8.12%)d 2.56( 12.75%) f 1.65( 8.26%)g13.20( 65.88%) 579. (0.00000) RY (26) C 8 s( 10.77%)p 2.28( 24.53%)d 1.41( 15.14%) f 2.21( 23.81%)g 2.39( 25.74%) 580. (0.00000) RY (27) C 8 s( 19.59%)p 0.98( 19.28%)d 0.28( 5.54%) f 1.21( 23.70%)g 1.63( 31.90%) 581. (0.00000) RY (28) C 8 s( 25.59%)p 0.83( 21.19%)d 0.79( 20.19%) f 0.66( 16.84%)g 0.63( 16.19%) 582. (0.00000) RY (29) C 8 s( 15.49%)p 1.76( 27.24%)d 1.08( 16.72%) f 1.49( 23.04%)g 1.13( 17.51%) 583. (0.00000) RY (30) C 8 s( 14.77%)p 1.52( 22.49%)d 2.35( 34.76%) f 1.08( 15.97%)g 0.81( 12.01%) 584. (0.00000) RY (31) C 8 s( 3.91%)p 7.55( 29.55%)d 4.96( 19.40%) f10.01( 39.16%)g 2.03( 7.97%) 585. (0.00000) RY (32) C 8 s( 6.46%)p 2.73( 17.65%)d 2.55( 16.43%) f 6.62( 42.74%)g 2.59( 16.72%) 586. (0.00000) RY (33) C 8 s( 20.42%)p 0.04( 0.82%)d 0.60( 12.20%) f 2.93( 59.92%)g 0.32( 6.63%) 587. (0.00000) RY (34) C 8 s( 3.41%)p 4.58( 15.62%)d 6.00( 20.44%) f12.96( 44.18%)g 4.80( 16.35%) 588. (0.00000) RY (35) C 8 s( 14.23%)p 0.53( 7.50%)d 2.68( 38.17%) f 1.56( 22.19%)g 1.26( 17.91%) 589. (0.00000) RY (36) C 8 s( 5.23%)p 1.24( 6.49%)d 6.84( 35.80%) f 6.03( 31.56%)g 4.00( 20.92%) 590. (0.00000) RY (37) C 8 s( 1.16%)p13.08( 15.19%)d45.88( 53.29%) f18.74( 21.77%)g 7.39( 8.58%) 591. (0.00000) RY (38) C 8 s( 5.16%)p 1.06( 5.47%)d 7.86( 40.56%) f 7.96( 41.05%)g 1.51( 7.77%) 592. (0.00000) RY (39) C 8 s( 8.19%)p 0.12( 0.97%)d 3.45( 28.30%) f 6.77( 55.43%)g 0.87( 7.10%) 593. (0.00000) RY (40) C 8 s( 2.52%)p14.28( 35.93%)d15.01( 37.77%) f 8.37( 21.06%)g 1.08( 2.72%) 594. (0.00000) RY (41) C 8 s( 0.70%)p30.11( 21.18%)d27.57( 19.40%) f79.90( 56.22%)g 3.54( 2.49%) 595. (0.00000) RY (42) C 8 s( 80.12%)p 0.00( 0.17%)d 0.02( 1.94%) f 0.07( 5.36%)g 0.16( 12.42%) 596. (0.00000) RY (43) C 8 s( 4.02%)p 0.23( 0.92%)d 2.64( 10.62%) f12.41( 49.92%)g 8.58( 34.52%) 597. (0.00000) RY (44) C 8 s( 0.41%)p 4.93( 2.01%)d12.55( 5.12%) f99.99( 64.28%)g69.07( 28.18%) 598. (0.00000) RY (45) C 8 s( 6.88%)p 0.22( 1.50%)d 2.65( 18.19%) f 2.47( 16.97%)g 8.21( 56.46%) 599. (0.00000) RY (46) C 8 s( 3.96%)p 0.12( 0.46%)d 6.15( 24.35%) f11.00( 43.55%)g 6.99( 27.68%) 600. (0.00000) RY (47) C 8 s( 6.94%)p 1.01( 7.01%)d 2.98( 20.69%) f 4.48( 31.07%)g 4.94( 34.29%) 601. (0.00000) RY (48) C 8 s( 2.79%)p 2.96( 8.28%)d10.32( 28.84%) f 9.83( 27.46%)g11.68( 32.63%) 602. (0.00000) RY (49) C 8 s( 2.47%)p 2.23( 5.50%)d 2.79( 6.88%) f15.81( 38.99%)g18.72( 46.16%) 603. (0.00000) RY (50) C 8 s( 4.66%)p 0.07( 0.31%)d 6.68( 31.09%) f 5.93( 27.62%)g 7.80( 36.32%) 604. (0.00000) RY (51) C 8 s( 12.79%)p 0.17( 2.22%)d 2.43( 31.03%) f 2.94( 37.63%)g 1.28( 16.33%) 605. (0.00000) RY (52) C 8 s( 5.72%)p 1.46( 8.35%)d 3.11( 17.78%) f 4.67( 26.73%)g 7.24( 41.43%) 606. (0.00106) RY ( 1) C 9 s( 49.37%)p 0.79( 38.88%)d 0.22( 10.66%) f 0.02( 0.86%)g 0.00( 0.23%) 0.0000 0.0128 0.7009 -0.0473 -0.0050 -0.0040 0.0002 -0.0159 0.0921 0.0485 -0.0224 -0.0182 0.5445 -0.0580 -0.0031 0.0157 -0.2745 0.0368 0.0070 -0.0427 0.0692 0.0134 0.1128 -0.0312 -0.0024 0.1704 -0.1415 0.0010 0.0347 -0.1288 0.0038 0.1351 -0.0297 0.0074 0.0503 -0.0027 0.0179 -0.0090 -0.0115 -0.0013 0.0384 -0.0209 -0.0344 0.0140 -0.0362 0.0282 0.0099 -0.0024 0.0128 -0.0270 -0.0097 -0.0049 -0.0092 0.0017 0.0310 0.0053 -0.0152 607. (0.00054) RY ( 2) C 9 s( 11.59%)p 5.55( 64.36%)d 1.77( 20.49%) f 0.29( 3.39%)g 0.01( 0.17%) 0.0000 0.0114 0.3341 -0.0611 -0.0155 0.0127 0.0029 -0.0284 0.6317 -0.2396 -0.0076 -0.0009 -0.4188 0.0524 -0.0300 0.0090 0.0285 0.0787 0.0143 -0.2870 0.0241 0.0036 0.1319 -0.0503 -0.0257 -0.0254 0.1126 -0.0203 -0.1558 0.2016 0.0129 -0.1467 0.0243 -0.0217 -0.0245 0.0017 0.0204 0.0149 -0.0320 0.0065 -0.0932 0.0397 0.0048 -0.0175 0.0795 -0.0414 0.1137 -0.0077 -0.0045 -0.0059 -0.0037 -0.0048 -0.0104 0.0091 0.0259 0.0226 -0.0157 608. (0.00027) RY ( 3) C 9 s( 0.32%)p99.99( 74.00%)d72.14( 23.38%) f 6.82( 2.21%)g 0.28( 0.09%) 0.0000 -0.0004 0.0552 -0.0137 0.0019 0.0013 0.0003 0.0022 -0.2471 0.0449 -0.0144 -0.0004 -0.3875 -0.0090 -0.0045 0.0111 -0.7141 0.1232 -0.0352 -0.0576 -0.1225 0.0015 0.0166 -0.1771 0.0033 -0.2494 0.0607 -0.0331 -0.0481 -0.0268 0.0104 0.3107 0.1274 0.0300 0.0469 0.0036 0.0487 -0.0550 -0.0316 -0.0311 -0.0700 0.0213 -0.0029 0.0128 0.0027 -0.0137 -0.0756 0.0327 0.0118 -0.0037 -0.0055 -0.0236 -0.0082 -0.0031 0.0038 0.0034 0.0083 609. (0.00018) RY ( 4) C 9 s( 1.88%)p11.33( 21.29%)d39.57( 74.39%) f 1.23( 2.32%)g 0.06( 0.12%) 0.0000 0.0039 -0.0901 0.1029 0.0054 0.0059 0.0007 0.0183 0.3177 0.0632 -0.0275 -0.0028 -0.2122 0.2263 0.0136 -0.0047 -0.1013 0.0133 0.0017 0.0197 -0.0388 -0.0220 -0.2524 -0.0280 0.0276 0.3744 -0.1859 0.0297 0.6552 -0.1413 0.0062 0.2121 -0.0754 0.0246 -0.0294 -0.0050 0.0058 -0.0183 -0.0080 -0.0002 0.0076 -0.0083 -0.0206 0.0082 -0.1454 0.0082 -0.0071 -0.0047 -0.0145 0.0127 -0.0032 -0.0163 0.0032 0.0163 -0.0100 -0.0020 -0.0138 610. (0.00016) RY ( 5) C 9 s( 2.94%)p 7.64( 22.49%)d22.40( 65.90%) f 2.89( 8.50%)g 0.06( 0.16%) 0.0000 -0.0030 0.1497 -0.0695 0.0466 -0.0005 0.0019 0.0178 0.2167 0.2357 -0.0265 -0.0197 -0.2610 -0.2183 0.0631 -0.0170 -0.0207 -0.0087 0.0208 0.6545 -0.1105 0.0429 -0.1868 0.1344 0.0063 0.1858 -0.0887 0.0202 -0.3371 -0.0657 -0.0329 0.0392 0.0153 0.0015 0.0014 -0.0045 -0.1027 0.0055 0.1764 -0.0086 0.1128 -0.0349 -0.0731 0.0196 0.1107 0.0084 -0.1059 0.0019 0.0081 -0.0090 -0.0207 0.0195 0.0092 -0.0163 -0.0115 -0.0133 0.0054 611. (0.00011) RY ( 6) C 9 s( 0.58%)p37.22( 21.60%)d99.99( 63.80%) f23.75( 13.78%)g 0.40( 0.23%) 0.0000 0.0010 -0.0445 0.0573 -0.0222 0.0068 0.0004 -0.0159 -0.2300 -0.1503 0.0080 -0.0059 -0.0702 0.0781 -0.0016 -0.0143 -0.3263 -0.1460 0.0343 -0.0076 -0.0025 -0.0139 0.1239 -0.1565 0.0124 0.4814 -0.1139 0.0284 -0.0133 0.0501 0.0054 -0.5780 0.1201 -0.0313 -0.1706 0.0163 0.0846 -0.0159 0.1978 -0.0212 0.1220 0.0000 -0.0916 0.0094 0.1720 -0.0302 0.0868 -0.0066 -0.0277 0.0032 -0.0056 0.0170 0.0212 -0.0028 0.0040 0.0138 -0.0240 612. (0.00006) RY ( 7) C 9 s( 0.20%)p86.33( 17.08%)d99.99( 79.44%) f15.20( 3.01%)g 1.40( 0.28%) 613. (0.00004) RY ( 8) C 9 s( 7.68%)p 6.85( 52.64%)d 4.90( 37.65%) f 0.21( 1.61%)g 0.05( 0.42%) 614. (0.00002) RY ( 9) C 9 s( 16.07%)p 1.16( 18.58%)d 3.25( 52.26%) f 0.79( 12.64%)g 0.03( 0.45%) 615. (0.00002) RY (10) C 9 s( 5.80%)p 3.57( 20.70%)d 3.75( 21.76%) f 8.16( 47.30%)g 0.77( 4.45%) 616. (0.00001) RY (11) C 9 s( 1.98%)p 5.77( 11.42%)d25.28( 50.04%) f17.66( 34.96%)g 0.81( 1.60%) 617. (0.00001) RY (12) C 9 s( 1.51%)p30.79( 46.57%)d23.21( 35.11%) f10.09( 15.26%)g 1.02( 1.55%) 618. (0.00000) RY (13) C 9 s( 13.36%)p 1.85( 24.66%)d 3.09( 41.30%) f 1.44( 19.21%)g 0.11( 1.47%) 619. (0.00001) RY (14) C 9 s( 3.91%)p10.20( 39.87%)d 6.81( 26.62%) f 7.42( 29.02%)g 0.15( 0.57%) 620. (0.00000) RY (15) C 9 s( 8.79%)p 3.47( 30.45%)d 4.55( 39.98%) f 2.12( 18.64%)g 0.25( 2.16%) 621. (0.00000) RY (16) C 9 s( 30.83%)p 0.63( 19.39%)d 0.87( 26.79%) f 0.73( 22.58%)g 0.01( 0.41%) 622. (0.00000) RY (17) C 9 s( 2.54%)p 0.42( 1.05%)d 8.78( 22.27%) f 8.22( 20.86%)g21.00( 53.29%) 623. (0.00000) RY (18) C 9 s( 4.53%)p 3.10( 14.02%)d 9.50( 42.99%) f 3.70( 16.74%)g 4.80( 21.72%) 624. (0.00000) RY (19) C 9 s( 3.51%)p 6.21( 21.81%)d 3.82( 13.43%) f 7.60( 26.68%)g 9.84( 34.56%) 625. (0.00000) RY (20) C 9 s( 4.40%)p 1.73( 7.59%)d 1.79( 7.88%) f14.93( 65.70%)g 3.28( 14.42%) 626. (0.00000) RY (21) C 9 s( 23.66%)p 0.09( 2.18%)d 1.12( 26.61%) f 0.74( 17.51%)g 1.27( 30.03%) 627. (0.00000) RY (22) C 9 s( 9.57%)p 0.28( 2.72%)d 3.59( 34.36%) f 0.80( 7.65%)g 4.77( 45.70%) 628. (0.00000) RY (23) C 9 s( 1.39%)p 1.37( 1.90%)d30.15( 41.82%) f18.15( 25.17%)g21.43( 29.72%) 629. (0.00000) RY (24) C 9 s( 7.78%)p 0.41( 3.20%)d 2.41( 18.74%) f 3.84( 29.91%)g 5.19( 40.37%) 630. (0.00000) RY (25) C 9 s( 5.92%)p 1.27( 7.54%)d 3.90( 23.07%) f 4.52( 26.77%)g 6.20( 36.70%) 631. (0.00000) RY (26) C 9 s( 12.93%)p 1.11( 14.33%)d 3.06( 39.51%) f 2.03( 26.23%)g 0.54( 7.01%) 632. (0.00000) RY (27) C 9 s( 22.19%)p 0.85( 18.93%)d 0.51( 11.34%) f 0.64( 14.17%)g 1.50( 33.37%) 633. (0.00000) RY (28) C 9 s( 8.67%)p 4.73( 40.98%)d 1.86( 16.13%) f 2.24( 19.39%)g 1.71( 14.83%) 634. (0.00000) RY (29) C 9 s( 8.66%)p 0.67( 5.80%)d 2.30( 19.90%) f 2.57( 22.22%)g 5.01( 43.42%) 635. (0.00000) RY (30) C 9 s( 4.60%)p 8.82( 40.56%)d 1.05( 4.85%) f 2.23( 10.25%)g 8.65( 39.75%) 636. (0.00000) RY (31) C 9 s( 24.78%)p 0.86( 21.27%)d 0.98( 24.20%) f 0.70( 17.24%)g 0.51( 12.51%) 637. (0.00000) RY (32) C 9 s( 3.86%)p 9.63( 37.13%)d 4.98( 19.22%) f 3.74( 14.41%)g 6.59( 25.39%) 638. (0.00000) RY (33) C 9 s( 16.23%)p 0.29( 4.79%)d 1.97( 32.01%) f 1.11( 18.03%)g 1.78( 28.94%) 639. (0.00000) RY (34) C 9 s( 7.29%)p 1.87( 13.66%)d 4.33( 31.58%) f 5.62( 40.96%)g 0.89( 6.51%) 640. (0.00000) RY (35) C 9 s( 4.93%)p 2.89( 14.25%)d 5.12( 25.21%) f 7.75( 38.15%)g 3.55( 17.46%) 641. (0.00000) RY (36) C 9 s( 4.67%)p 2.96( 13.83%)d 6.19( 28.92%) f10.70( 49.99%)g 0.56( 2.60%) 642. (0.00000) RY (37) C 9 s( 21.19%)p 0.12( 2.57%)d 2.22( 47.01%) f 1.09( 23.00%)g 0.29( 6.23%) 643. (0.00000) RY (38) C 9 s( 5.26%)p 0.91( 4.80%)d11.20( 58.95%) f 5.04( 26.54%)g 0.85( 4.45%) 644. (0.00000) RY (39) C 9 s( 8.88%)p 1.66( 14.74%)d 3.71( 32.92%) f 4.17( 37.06%)g 0.72( 6.40%) 645. (0.00000) RY (40) C 9 s( 1.09%)p 3.44( 3.75%)d29.73( 32.39%) f46.64( 50.81%)g10.99( 11.97%) 646. (0.00000) RY (41) C 9 s( 3.16%)p10.52( 33.25%)d 8.65( 27.33%) f10.67( 33.74%)g 0.80( 2.53%) 647. (0.00000) RY (42) C 9 s( 0.19%)p41.28( 7.67%)d71.41( 13.26%) f99.99( 76.09%)g15.07( 2.80%) 648. (0.00000) RY (43) C 9 s( 43.39%)p 0.02( 0.74%)d 0.10( 4.13%) f 0.95( 41.24%)g 0.24( 10.50%) 649. (0.00000) RY (44) C 9 s( 35.16%)p 0.00( 0.15%)d 0.30( 10.48%) f 1.17( 41.10%)g 0.37( 13.11%) 650. (0.00000) RY (45) C 9 s( 2.90%)p 0.38( 1.10%)d 1.74( 5.05%) f16.87( 48.95%)g14.47( 42.00%) 651. (0.00000) RY (46) C 9 s( 5.65%)p 0.29( 1.64%)d 1.34( 7.55%) f10.12( 57.21%)g 4.94( 27.95%) 652. (0.00000) RY (47) C 9 s( 1.65%)p 1.35( 2.23%)d 7.02( 11.62%) f28.30( 46.84%)g22.75( 37.65%) 653. (0.00000) RY (48) C 9 s( 0.69%)p 6.98( 4.81%)d43.48( 29.92%) f54.78( 37.70%)g39.07( 26.89%) 654. (0.00000) RY (49) C 9 s( 16.45%)p 0.12( 1.93%)d 0.52( 8.48%) f 2.85( 46.91%)g 1.59( 26.23%) 655. (0.00000) RY (50) C 9 s( 8.07%)p 0.45( 3.63%)d 4.24( 34.18%) f 1.74( 14.07%)g 4.96( 40.05%) 656. (0.00000) RY (51) C 9 s( 3.22%)p 1.52( 4.90%)d 3.01( 9.68%) f 7.40( 23.81%)g18.15( 58.39%) 657. (0.00000) RY (52) C 9 s( 4.29%)p 0.31( 1.34%)d 2.97( 12.74%) f12.02( 51.52%)g 7.02( 30.11%) 658. (0.00564) RY ( 1) P 10 s( 0.05%)p99.99( 9.63%)d99.99( 88.53%) f35.35( 1.62%)g 3.74( 0.17%) 0.0000 0.0000 0.0018 0.0171 -0.0126 -0.0004 0.0014 0.0001 0.0000 0.0000 -0.0414 0.2145 0.0323 0.0360 -0.0003 0.0000 -0.0636 0.1969 0.0023 0.0517 -0.0004 0.0000 -0.0125 0.0227 -0.0041 0.0101 0.0001 -0.3940 -0.0088 -0.0136 -0.0021 -0.0210 0.0550 -0.0134 -0.0029 0.2396 0.0870 -0.0147 -0.0044 -0.7924 0.1053 -0.0202 0.0012 -0.0201 0.1452 0.0092 -0.0003 -0.0047 0.0043 -0.0649 0.0005 0.0161 0.0123 0.0702 -0.0030 0.0437 0.0034 0.0481 -0.0453 0.0141 0.0101 -0.0024 -0.0074 -0.0001 -0.0128 -0.0061 -0.0072 -0.0033 0.0250 -0.0277 659. (0.00502) RY ( 2) P 10 s( 0.06%)p29.99( 1.92%)d99.99( 96.35%) f23.59( 1.51%)g 2.22( 0.14%) 0.0000 0.0000 -0.0002 0.0251 -0.0032 0.0004 0.0001 0.0001 0.0000 0.0000 -0.0044 0.0386 0.0114 0.0041 0.0007 0.0000 -0.0077 0.0352 0.0003 0.0075 0.0008 0.0000 0.0937 0.0513 0.0363 -0.0592 0.0000 -0.1986 0.0225 0.0032 0.0009 0.7920 0.0331 0.0076 0.0030 -0.5038 0.0709 -0.0154 -0.0007 -0.0636 0.0207 -0.0119 -0.0025 0.1525 -0.0871 -0.0236 -0.0031 0.0130 -0.0293 0.0662 -0.0096 -0.0451 0.0078 0.0329 0.0101 0.0383 -0.0388 -0.0088 -0.0071 -0.0568 0.0064 -0.0003 0.0213 -0.0167 0.0009 -0.0075 0.0078 0.0233 0.0037 -0.0044 660. (0.00284) RY ( 3) P 10 s( 0.29%)p 7.41( 2.17%)d99.99( 93.40%) f14.02( 4.10%)g 0.13( 0.04%) 0.0000 0.0000 0.0030 0.0539 -0.0037 0.0004 -0.0004 0.0000 0.0000 0.0000 -0.0385 0.0754 -0.0436 0.0126 -0.0008 0.0000 -0.0341 -0.0712 -0.0529 0.0108 -0.0023 0.0000 0.0275 0.0480 0.0121 -0.0094 -0.0006 -0.1491 0.1175 0.0206 -0.0013 0.4241 -0.0047 -0.0059 0.0026 0.7470 -0.1582 0.0146 0.0025 0.2794 -0.1552 0.0494 0.0022 0.1655 0.0474 -0.0080 -0.0001 0.0082 0.0033 0.0166 -0.0061 -0.0585 0.0101 0.0687 -0.0319 0.1247 -0.0193 0.1197 -0.0175 -0.0274 0.0067 -0.0023 -0.0083 -0.0086 -0.0016 -0.0099 0.0073 0.0004 0.0083 -0.0017 661. (0.00271) RY ( 4) P 10 s( 0.02%)p62.63( 1.35%)d99.99( 93.59%) f99.99( 5.01%)g 1.45( 0.03%) 0.0000 0.0000 -0.0007 -0.0057 0.0129 0.0027 -0.0029 0.0000 0.0000 0.0000 0.0146 0.0023 0.0103 -0.0014 -0.0003 0.0000 0.0174 -0.0060 0.0158 -0.0098 0.0010 0.0000 0.0445 0.0669 0.0761 -0.0152 0.0014 -0.3816 -0.0644 -0.0078 -0.0023 -0.3344 0.2109 -0.0501 -0.0006 -0.1181 -0.0762 0.0355 -0.0003 0.1472 0.0441 -0.0097 0.0025 0.7597 0.0728 0.0037 0.0043 0.0852 -0.0109 0.1167 -0.0246 -0.0511 0.0150 -0.0772 0.0143 0.0730 -0.0049 -0.0742 0.0035 -0.0907 0.0208 0.0009 0.0078 0.0003 0.0073 -0.0064 -0.0020 0.0040 -0.0099 -0.0062 662. (0.00259) RY ( 5) P 10 s( 3.84%)p 5.74( 22.03%)d17.58( 67.46%) f 1.69( 6.48%)g 0.05( 0.19%) 0.0000 0.0000 0.0142 0.1943 -0.0206 -0.0017 -0.0004 -0.0001 0.0001 0.0000 -0.0584 0.2036 -0.0555 0.0147 -0.0019 0.0000 0.0361 -0.4127 0.0058 -0.0159 0.0017 0.0000 -0.0031 -0.0034 -0.0121 0.0011 0.0013 -0.5754 0.2408 -0.0349 -0.0066 -0.1290 0.0021 -0.0062 -0.0022 -0.1400 0.0383 -0.0043 0.0020 0.2432 0.0767 0.0038 0.0016 -0.4069 0.1237 -0.0246 -0.0041 -0.1937 0.0125 0.0280 -0.0012 -0.0075 -0.0030 -0.0639 0.0138 0.1142 -0.0023 -0.0700 -0.0033 0.0639 -0.0007 -0.0144 -0.0101 0.0082 0.0065 -0.0225 -0.0009 0.0090 0.0148 0.0263 663. (0.00165) RY ( 6) P 10 s( 5.98%)p11.65( 69.64%)d 3.62( 21.63%) f 0.46( 2.73%)g 0.01( 0.03%) 0.0000 0.0000 -0.0011 0.2425 0.0275 0.0136 0.0014 0.0003 -0.0001 0.0000 -0.0347 -0.3302 -0.0670 0.0015 0.0009 0.0000 -0.0389 -0.7522 -0.0603 0.0004 0.0002 0.0000 0.0020 0.1036 -0.0028 0.0025 0.0015 0.1484 -0.0487 0.0050 0.0063 0.0252 0.0583 -0.0175 0.0034 0.0454 0.0442 -0.0191 0.0031 -0.3589 -0.1390 0.0170 -0.0085 0.1536 -0.1043 -0.0026 0.0095 0.0609 -0.0053 0.0382 0.0153 0.0324 -0.0044 0.1128 0.0035 -0.0298 0.0023 -0.0825 0.0024 0.0167 0.0071 0.0043 0.0057 -0.0012 -0.0053 0.0043 0.0118 -0.0055 -0.0082 0.0024 664. (0.00131) RY ( 7) P 10 s( 0.45%)p99.99( 89.72%)d17.24( 7.78%) f 4.47( 2.02%)g 0.07( 0.03%) 0.0000 0.0000 0.0002 0.0636 -0.0215 0.0013 0.0011 0.0001 -0.0001 0.0000 -0.0068 -0.0346 -0.0078 0.0049 0.0000 0.0000 -0.0045 -0.0616 -0.0201 0.0030 0.0004 0.0000 -0.0231 -0.9438 0.0130 -0.0086 -0.0009 -0.0745 -0.0472 -0.0073 0.0019 0.0288 -0.1884 -0.0050 -0.0033 0.0265 0.1185 0.0006 0.0032 -0.0258 -0.0335 0.0058 -0.0017 0.1096 -0.0679 0.0202 0.0023 0.0869 0.0091 0.0115 -0.0183 0.0085 0.0097 -0.0602 -0.0077 0.0878 0.0034 -0.0157 -0.0050 0.0069 0.0140 0.0008 0.0076 -0.0100 0.0057 -0.0042 0.0040 0.0083 0.0022 0.0029 665. (0.00080) RY ( 8) P 10 s( 34.20%)p 1.33( 45.32%)d 0.49( 16.65%) f 0.10( 3.57%)g 0.01( 0.26%) 0.0000 0.0000 0.0024 0.5647 0.1522 0.0061 0.0013 0.0007 -0.0004 0.0000 -0.0136 0.6558 -0.1396 -0.0087 0.0030 0.0000 0.0385 -0.0331 -0.0263 -0.0097 0.0039 0.0000 0.0007 -0.0070 -0.0050 0.0017 0.0013 0.3230 -0.1244 -0.0454 0.0130 -0.0025 -0.0174 0.0208 0.0018 -0.0662 -0.0706 0.0158 0.0003 -0.0011 0.0577 0.0068 -0.0031 0.1460 0.0924 -0.0290 0.0039 0.0234 -0.0059 -0.0214 0.0431 -0.0225 -0.0289 -0.0673 0.0093 -0.0767 -0.0141 0.0949 0.0162 0.0768 0.0746 0.0214 0.0010 -0.0072 -0.0068 0.0262 -0.0086 0.0046 -0.0332 -0.0119 666. (0.00044) RY ( 9) P 10 s( 2.02%)p 1.89( 3.80%)d32.22( 64.97%) f14.22( 28.67%)g 0.27( 0.54%) 0.0000 0.0000 0.0063 -0.0968 0.1024 -0.0164 0.0017 -0.0003 0.0002 0.0000 0.0025 0.1155 -0.0715 -0.0050 0.0013 0.0000 0.0063 0.0000 -0.0576 -0.0005 -0.0020 0.0000 -0.0064 -0.0436 0.1189 0.0095 -0.0025 0.1781 0.1922 0.0604 -0.0035 -0.0428 0.3504 -0.0580 0.0010 0.0313 0.6357 -0.0623 0.0219 0.1119 0.1153 0.0878 0.0069 0.0546 0.0535 0.0202 -0.0059 -0.0743 -0.0141 -0.0308 0.0163 -0.0204 -0.0438 0.4661 -0.0438 0.2309 -0.0189 0.0134 0.0604 -0.0106 0.0268 0.0062 0.0316 -0.0136 -0.0050 0.0207 0.0489 0.0183 -0.0097 -0.0302 667. (0.00035) RY (10) P 10 s( 19.33%)p 0.36( 7.03%)d 2.80( 54.07%) f 0.98( 18.93%)g 0.03( 0.64%) 0.0000 0.0000 -0.0186 0.4148 -0.1445 0.0043 0.0000 0.0004 -0.0003 0.0000 -0.0041 -0.0726 0.0266 -0.0408 -0.0061 0.0000 0.0003 0.2358 0.0394 -0.0108 0.0028 0.0000 -0.0044 0.0360 0.0638 -0.0017 -0.0013 -0.1501 -0.1841 -0.0167 0.0078 -0.0949 0.1108 -0.0861 0.0064 0.0961 0.0614 0.0239 -0.0019 0.0352 -0.0025 0.0324 -0.0045 -0.1518 -0.6400 -0.0762 0.0279 -0.0351 0.0395 0.2941 -0.0282 -0.1599 0.0470 0.1811 -0.0509 -0.0452 0.0063 -0.0496 0.0583 -0.1676 -0.0018 -0.0611 -0.0008 0.0009 -0.0049 -0.0319 0.0253 0.0039 -0.0139 0.0278 668. (0.00021) RY (11) P 10 s( 4.45%)p 0.70( 3.12%)d11.89( 52.85%) f 8.34( 37.07%)g 0.57( 2.52%) 0.0000 0.0000 -0.0120 0.1785 -0.1106 0.0148 -0.0031 0.0004 -0.0004 0.0000 0.0068 -0.1235 0.0041 -0.0105 -0.0017 0.0000 0.0026 0.1056 0.0296 0.0067 -0.0006 0.0000 -0.0107 -0.0292 -0.0099 -0.0510 0.0032 -0.0587 -0.3752 -0.0227 0.0229 0.0060 0.4337 0.0744 0.0125 -0.0617 -0.0593 -0.1078 0.0032 0.0638 -0.3225 0.0260 -0.0125 -0.1849 0.1636 -0.0225 -0.0096 0.2689 -0.1482 -0.1941 0.0174 0.0993 0.0018 -0.0346 0.0568 0.3505 -0.1905 0.0658 -0.0246 0.2201 -0.1082 0.1161 0.0046 -0.0081 0.0149 -0.0313 0.0195 0.0002 0.0560 0.0829 669. (0.00017) RY (12) P 10 s( 5.06%)p 5.08( 25.71%)d 9.31( 47.08%) f 4.03( 20.38%)g 0.35( 1.77%) 0.0000 0.0000 -0.0089 0.1245 0.1860 -0.0200 0.0012 0.0000 0.0004 0.0000 -0.0058 -0.2856 -0.3327 -0.0489 0.0051 0.0000 -0.0094 0.1021 -0.1022 -0.0353 -0.0050 0.0000 0.0033 0.0078 -0.2001 0.0100 0.0006 -0.0319 -0.2116 0.0152 0.0079 0.1075 -0.0075 0.0707 0.0077 0.1128 -0.0347 0.0625 0.0074 0.0354 0.5945 0.1381 0.0017 -0.0220 0.1248 -0.0183 -0.0056 -0.0227 -0.0279 0.0206 0.0142 0.0656 -0.1212 -0.0807 -0.0473 0.0950 -0.0474 -0.2814 0.2721 0.0979 0.0038 0.0167 0.0133 0.0574 0.0121 0.0151 0.1124 -0.0161 -0.0047 0.0255 670. (0.00011) RY (13) P 10 s( 8.84%)p 2.24( 19.76%)d 1.00( 8.80%) f 6.73( 59.46%)g 0.36( 3.14%) 0.0000 0.0000 -0.0118 0.2757 0.1093 -0.0012 -0.0169 0.0012 0.0001 0.0000 -0.0079 -0.3836 -0.0585 0.0407 0.0088 0.0000 0.0009 0.0865 0.1791 0.0651 0.0066 0.0000 0.0027 0.0094 -0.0323 0.0156 0.0020 -0.0288 0.0619 -0.0694 0.0086 -0.0222 -0.0454 -0.0337 -0.0106 -0.0423 0.1380 -0.0367 0.0051 0.0279 0.1382 0.0158 -0.0124 0.0337 0.1738 -0.0278 0.0068 -0.1545 -0.0111 0.0422 -0.0260 -0.0296 -0.0561 -0.0823 0.0995 -0.0192 0.0613 0.7156 -0.1466 -0.0629 0.0755 -0.0300 -0.0193 -0.0270 0.1098 0.0241 -0.1185 0.0267 -0.0127 0.0434 671. (0.00010) RY (14) P 10 s( 1.53%)p 3.11( 4.75%)d10.38( 15.89%) f46.24( 70.77%)g 4.60( 7.05%) 672. (0.00008) RY (15) P 10 s( 0.34%)p38.97( 13.22%)d72.11( 24.46%) f99.99( 60.63%)g 3.97( 1.35%) 673. (0.00007) RY (16) P 10 s( 1.76%)p 4.48( 7.90%)d34.64( 61.03%) f15.36( 27.05%)g 1.28( 2.26%) 674. (0.00006) RY (17) P 10 s( 4.70%)p11.96( 56.18%)d 6.72( 31.59%) f 1.51( 7.08%)g 0.10( 0.45%) 675. (0.00004) RY (18) P 10 s( 8.79%)p 6.79( 59.68%)d 1.93( 16.99%) f 1.48( 12.98%)g 0.18( 1.56%) 676. (0.00003) RY (19) P 10 s( 34.21%)p 0.76( 26.17%)d 0.72( 24.48%) f 0.39( 13.17%)g 0.06( 1.98%) 677. (0.00002) RY (20) P 10 s( 21.60%)p 1.12( 24.16%)d 0.93( 20.15%) f 1.38( 29.74%)g 0.20( 4.35%) 678. (0.00001) RY (21) P 10 s( 6.02%)p 8.11( 48.88%)d 2.62( 15.76%) f 4.39( 26.44%)g 0.48( 2.89%) 679. (0.00001) RY (22) P 10 s( 3.90%)p 3.79( 14.79%)d 8.63( 33.65%) f 9.40( 36.68%)g 2.81( 10.97%) 680. (0.00001) RY (23) P 10 s( 4.07%)p 2.84( 11.57%)d13.79( 56.11%) f 5.89( 23.98%)g 1.05( 4.27%) 681. (0.00000) RY (24) P 10 s( 3.17%)p 4.69( 14.86%)d 8.51( 26.96%) f12.82( 40.65%)g 4.53( 14.36%) 682. (0.00000) RY (25) P 10 s( 7.08%)p 2.47( 17.47%)d 5.52( 39.11%) f 1.34( 9.51%)g 3.79( 26.83%) 683. (0.00000) RY (26) P 10 s( 0.33%)p48.73( 15.93%)d52.32( 17.10%) f99.99( 43.42%)g71.05( 23.22%) 684. (0.00000) RY (27) P 10 s( 0.92%)p 8.64( 7.99%)d50.11( 46.31%) f27.26( 25.19%)g21.19( 19.58%) 685. (0.00000) RY (28) P 10 s( 6.27%)p 1.50( 9.39%)d 6.61( 41.38%) f 4.00( 25.06%)g 2.86( 17.90%) 686. (0.00000) RY (29) P 10 s( 9.83%)p 1.09( 10.75%)d 4.59( 45.06%) f 2.05( 20.19%)g 1.44( 14.18%) 687. (0.00000) RY (30) P 10 s( 8.67%)p 1.05( 9.14%)d 1.90( 16.48%) f 2.70( 23.43%)g 4.88( 42.29%) 688. (0.00000) RY (31) P 10 s( 4.82%)p 1.29( 6.20%)d 2.09( 10.09%) f 6.30( 30.37%)g10.06( 48.52%) 689. (0.00000) RY (32) P 10 s( 4.57%)p 1.07( 4.88%)d10.55( 48.19%) f 5.19( 23.69%)g 4.09( 18.67%) 690. (0.00000) RY (33) P 10 s( 14.88%)p 0.55( 8.22%)d 2.26( 33.57%) f 1.71( 25.44%)g 1.20( 17.90%) 691. (0.00000) RY (34) P 10 s( 27.57%)p 0.31( 8.57%)d 1.36( 37.43%) f 0.49( 13.44%)g 0.47( 13.00%) 692. (0.00000) RY (35) P 10 s( 1.07%)p17.62( 18.78%)d44.31( 47.22%) f25.73( 27.42%)g 5.18( 5.52%) 693. (0.00000) RY (36) P 10 s( 5.84%)p 1.35( 7.88%)d 6.68( 39.01%) f 7.57( 44.20%)g 0.53( 3.07%) 694. (0.00000) RY (37) P 10 s( 3.46%)p 4.92( 16.99%)d14.03( 48.48%) f 6.88( 23.77%)g 2.11( 7.30%) 695. (0.00000) RY (38) P 10 s( 1.46%)p 8.48( 12.36%)d23.75( 34.60%) f27.50( 40.06%)g 7.90( 11.52%) 696. (0.00000) RY (39) P 10 s( 9.31%)p 0.75( 6.97%)d 5.07( 47.22%) f 3.46( 32.23%)g 0.46( 4.26%) 697. (0.00000) RY (40) P 10 s( 9.01%)p 0.45( 4.05%)d 2.14( 19.25%) f 6.80( 61.29%)g 0.71( 6.41%) 698. (0.00000) RY (41) P 10 s( 99.36%)p 0.00( 0.13%)d 0.00( 0.09%) f 0.00( 0.11%)g 0.00( 0.31%) 699. (0.00000) RY (42) P 10 s( 80.68%)p 0.12( 9.82%)d 0.02( 1.76%) f 0.05( 3.64%)g 0.05( 4.10%) 700. (0.00000) RY (43) P 10 s( 18.69%)p 2.71( 50.60%)d 0.41( 7.60%) f 0.36( 6.74%)g 0.88( 16.37%) 701. (0.00000) RY (44) P 10 s( 0.81%)p42.53( 34.40%)d25.92( 20.97%) f23.36( 18.90%)g30.81( 24.93%) 702. (0.00000) RY (45) P 10 s( 3.27%)p 9.15( 29.92%)d 3.71( 12.14%) f 3.77( 12.33%)g12.96( 42.35%) 703. (0.00000) RY (46) P 10 s( 15.42%)p 3.62( 55.77%)d 0.49( 7.59%) f 0.71( 10.96%)g 0.67( 10.26%) 704. (0.00000) RY (47) P 10 s( 1.13%)p17.76( 20.01%)d11.62( 13.10%) f 9.77( 11.01%)g48.59( 54.76%) 705. (0.00000) RY (48) P 10 s( 3.40%)p 3.13( 10.64%)d 7.61( 25.90%) f 5.02( 17.09%)g12.62( 42.95%) 706. (0.00000) RY (49) P 10 s( 5.07%)p 1.26( 6.40%)d 1.92( 9.74%) f 2.73( 13.85%)g12.80( 64.93%) 707. (0.00000) RY (50) P 10 s( 20.01%)p 1.66( 33.31%)d 0.60( 12.04%) f 0.56( 11.23%)g 1.17( 23.41%) 708. (0.00000) RY (51) P 10 s( 9.87%)p 0.93( 9.20%)d 1.15( 11.30%) f 2.32( 22.90%)g 4.74( 46.73%) 709. (0.00000) RY (52) P 10 s( 11.41%)p 0.68( 7.80%)d 3.25( 37.02%) f 2.48( 28.29%)g 1.36( 15.48%) 710. (0.00000) RY (53) P 10 s( 3.69%)p 1.32( 4.87%)d 5.96( 21.98%) f 7.70( 28.37%)g11.15( 41.10%) 711. (0.00000) RY (54) P 10 s( 4.20%)p 7.86( 32.99%)d 6.83( 28.69%) f 6.94( 29.12%)g 1.19( 5.00%) 712. (0.00000) RY (55) P 10 s( 5.97%)p 2.93( 17.48%)d 2.22( 13.25%) f 6.95( 41.49%)g 3.66( 21.82%) 713. (0.00000) RY (56) P 10 s( 13.67%)p 1.60( 21.93%)d 1.56( 21.31%) f 1.08( 14.75%)g 2.07( 28.34%) 714. (0.00000) RY (57) P 10 s( 2.28%)p 9.66( 22.03%)d12.06( 27.51%) f14.54( 33.16%)g 6.59( 15.02%) 715. (0.00000) RY (58) P 10 s( 0.45%)p50.88( 22.94%)d78.37( 35.34%) f46.41( 20.92%)g45.13( 20.35%) 716. (0.00000) RY (59) P 10 s( 1.10%)p30.34( 33.39%)d25.38( 27.93%) f18.60( 20.46%)g15.56( 17.12%) 717. (0.00000) RY (60) P 10 s( 2.74%)p 4.81( 13.18%)d 7.83( 21.48%) f 5.35( 14.66%)g17.49( 47.94%) 718. (0.00000) RY (61) P 10 s( 6.92%)p 2.48( 17.14%)d 4.33( 29.92%) f 4.40( 30.46%)g 2.25( 15.57%) 719. (0.00291) RY ( 1) C 11 s( 32.54%)p 1.62( 52.58%)d 0.44( 14.31%) f 0.02( 0.55%)g 0.00( 0.02%) 0.0000 0.0023 0.5700 -0.0179 -0.0084 -0.0045 0.0001 -0.0017 0.2955 0.0178 -0.0021 -0.0256 0.6602 -0.0192 0.0260 -0.0026 0.0251 0.0007 0.0023 0.0240 -0.0417 -0.0007 -0.0026 0.0014 -0.0006 -0.0441 0.0253 -0.0032 0.3032 -0.1689 0.0209 0.1204 -0.0524 0.0065 -0.0091 0.0011 0.0008 0.0053 -0.0437 0.0114 -0.0087 0.0037 -0.0029 0.0019 -0.0081 -0.0130 -0.0544 0.0089 -0.0023 -0.0028 0.0012 -0.0005 -0.0119 -0.0018 -0.0027 -0.0001 -0.0003 720. (0.00212) RY ( 2) C 11 s( 0.03%)p99.99( 96.42%)d49.99( 1.50%) f67.22( 2.01%)g 1.16( 0.03%) 0.0000 0.0010 0.0170 0.0029 0.0007 -0.0004 0.0000 0.0043 0.0332 0.0048 0.0004 -0.0058 -0.0720 -0.0041 0.0006 0.0466 0.9763 0.0506 0.0030 0.0068 -0.0014 -0.0012 -0.0219 0.0457 0.0066 0.0199 0.1063 -0.0105 0.0048 0.0137 0.0007 0.0168 -0.0018 -0.0015 0.1259 -0.0279 0.0290 -0.0051 -0.0205 0.0035 -0.0449 0.0066 0.0083 0.0063 0.0005 0.0014 0.0057 -0.0008 -0.0036 0.0158 -0.0021 0.0026 -0.0047 0.0028 0.0064 0.0018 -0.0001 721. (0.00179) RY ( 3) C 11 s( 6.09%)p11.30( 68.78%)d 3.99( 24.27%) f 0.13( 0.78%)g 0.01( 0.09%) 0.0000 0.0180 0.2362 0.0683 0.0011 0.0084 -0.0006 0.0240 -0.8237 0.0588 0.0114 -0.0279 0.0585 -0.0210 0.0050 -0.0060 0.0214 -0.0053 -0.0006 -0.0951 0.0050 -0.0151 0.0241 -0.0527 -0.0034 -0.0399 0.0410 -0.0001 0.0874 0.0877 0.0218 0.2866 -0.3589 -0.0005 0.0014 0.0045 -0.0198 -0.0161 0.0174 0.0007 -0.0091 -0.0025 0.0096 -0.0006 0.0178 0.0187 -0.0773 0.0066 0.0217 0.0073 -0.0028 -0.0167 0.0009 -0.0022 0.0036 -0.0043 -0.0053 722. (0.00054) RY ( 4) C 11 s( 7.56%)p 6.33( 47.88%)d 5.16( 39.05%) f 0.68( 5.12%)g 0.05( 0.39%) 0.0000 0.0026 0.2446 -0.1253 0.0098 0.0057 0.0015 0.0020 0.0000 0.1518 -0.0131 -0.0120 -0.4206 0.5254 -0.0153 -0.0014 -0.0379 0.0276 -0.0055 0.5134 0.0145 0.0851 0.0251 0.0075 0.0052 -0.0453 0.0268 -0.0112 0.2956 -0.1607 0.0388 -0.0051 -0.0246 0.0229 -0.0282 0.0097 -0.0857 0.0048 -0.1689 0.0386 -0.0364 0.0097 -0.0106 0.0016 0.0757 0.0014 -0.0564 0.0497 0.0144 -0.0020 0.0062 -0.0149 -0.0341 -0.0030 -0.0083 0.0150 0.0438 723. (0.00031) RY ( 5) C 11 s( 16.72%)p 1.95( 32.53%)d 2.79( 46.60%) f 0.22( 3.76%)g 0.02( 0.38%) 0.0000 -0.0227 0.4001 0.0715 0.0251 0.0296 0.0009 -0.0191 -0.0316 0.2933 0.1050 0.0081 -0.3745 -0.2829 -0.0616 0.0019 -0.0288 -0.0436 -0.0085 -0.4505 0.0237 -0.0428 -0.0994 0.0426 -0.0030 0.0492 -0.0153 0.0019 0.2633 -0.0553 -0.0207 -0.3338 0.2491 0.0058 0.0285 -0.0050 -0.1551 0.0293 0.0170 -0.0036 -0.0294 0.0053 0.0156 0.0044 0.0843 -0.0441 -0.0294 -0.0212 -0.0499 -0.0157 0.0087 0.0228 -0.0066 -0.0004 -0.0021 -0.0085 -0.0195 724. (0.00027) RY ( 6) C 11 s( 0.02%)p99.99( 19.50%)d99.99( 49.37%) f99.99( 30.07%)g56.23( 1.04%) 0.0000 -0.0001 0.0124 -0.0051 0.0005 0.0021 0.0002 -0.0004 -0.0010 0.0223 0.0195 0.0004 -0.0132 -0.0238 -0.0232 -0.0086 -0.0279 0.3683 0.2374 -0.0101 -0.0536 -0.0108 0.0193 0.0916 0.1115 -0.2081 -0.6395 -0.0387 -0.0085 -0.0466 0.0050 -0.0387 -0.1075 -0.0184 0.4656 -0.1406 0.0884 -0.0383 -0.0653 0.0371 -0.1821 0.0233 -0.0867 -0.0842 -0.0261 -0.0069 0.0109 -0.0087 -0.0208 0.0855 -0.0017 0.0184 -0.0107 -0.0460 -0.0025 -0.0046 0.0049 725. (0.00023) RY ( 7) C 11 s( 0.01%)p 1.00( 5.29%)d 9.47( 50.11%) f 8.18( 43.31%)g 0.24( 1.29%) 0.0000 -0.0002 -0.0051 0.0077 0.0010 -0.0014 0.0002 0.0006 0.0110 0.0205 -0.0060 -0.0017 -0.0145 -0.0163 0.0148 0.0138 0.1732 0.0576 -0.1347 -0.0091 -0.0225 -0.0017 0.0753 -0.3629 -0.0396 -0.0604 -0.5887 -0.0493 0.0129 -0.0795 -0.0049 -0.0244 -0.0412 -0.0023 -0.5292 0.1581 -0.1153 0.0245 0.0650 -0.0093 0.2805 -0.0936 0.0969 -0.1023 0.0418 -0.0197 -0.0204 -0.0011 0.0263 -0.0930 0.0239 -0.0132 0.0121 0.0500 0.0083 0.0052 -0.0064 726. (0.00016) RY ( 8) C 11 s( 26.61%)p 1.69( 44.92%)d 0.81( 21.52%) f 0.22( 5.84%)g 0.04( 1.10%) 0.0000 0.0022 0.4620 -0.2204 0.0553 0.0325 0.0016 0.0126 0.1141 -0.6051 0.0093 0.0025 -0.2399 -0.1023 -0.0055 -0.0003 -0.0238 0.0348 -0.0034 -0.0196 0.2020 0.0114 0.0158 -0.0333 0.0050 0.0194 -0.0071 -0.0015 -0.2958 0.2227 -0.0326 -0.0221 -0.1806 0.0278 -0.0182 0.0082 -0.1481 0.0102 -0.1188 0.0212 -0.0068 0.0013 0.0000 -0.0009 -0.0475 0.0179 0.1360 0.0171 0.0564 0.0159 0.0015 -0.0719 -0.0186 -0.0127 0.0032 0.0411 0.0150 727. (0.00007) RY ( 9) C 11 s( 0.05%)p99.99( 52.13%)d99.99( 35.95%) f99.99( 11.20%)g13.31( 0.66%) 728. (0.00006) RY (10) C 11 s( 4.90%)p11.37( 55.74%)d 5.81( 28.49%) f 2.09( 10.23%)g 0.13( 0.64%) 729. (0.00006) RY (11) C 11 s( 0.24%)p98.93( 23.39%)d99.99( 23.89%) f99.99( 50.71%)g 7.50( 1.77%) 730. (0.00003) RY (12) C 11 s( 6.93%)p 3.06( 21.22%)d 3.91( 27.07%) f 6.12( 42.42%)g 0.34( 2.36%) 731. (0.00002) RY (13) C 11 s( 2.43%)p 4.85( 11.80%)d28.39( 69.04%) f 5.14( 12.51%)g 1.73( 4.22%) 732. (0.00002) RY (14) C 11 s( 18.27%)p 0.45( 8.17%)d 2.64( 48.17%) f 1.37( 25.02%)g 0.02( 0.37%) 733. (0.00001) RY (15) C 11 s( 0.68%)p13.81( 9.43%)d99.99( 78.80%) f15.12( 10.32%)g 1.11( 0.76%) 734. (0.00001) RY (16) C 11 s( 0.65%)p21.75( 14.20%)d81.41( 53.16%) f45.04( 29.41%)g 3.93( 2.57%) 735. (0.00001) RY (17) C 11 s( 7.83%)p 1.36( 10.62%)d 4.02( 31.45%) f 4.77( 37.35%)g 1.63( 12.74%) 736. (0.00001) RY (18) C 11 s( 11.43%)p 0.47( 5.42%)d 1.62( 18.53%) f 4.57( 52.18%)g 1.09( 12.45%) 737. (0.00000) RY (19) C 11 s( 7.07%)p 3.19( 22.59%)d 7.81( 55.21%) f 1.30( 9.20%)g 0.84( 5.93%) 738. (0.00000) RY (20) C 11 s( 19.06%)p 1.51( 28.78%)d 1.88( 35.81%) f 0.75( 14.39%)g 0.10( 1.96%) 739. (0.00000) RY (21) C 11 s( 8.05%)p 3.75( 30.18%)d 5.35( 43.09%) f 2.19( 17.66%)g 0.13( 1.02%) 740. (0.00000) RY (22) C 11 s( 4.56%)p 2.14( 9.74%)d 9.43( 42.98%) f 7.75( 35.30%)g 1.63( 7.42%) 741. (0.00000) RY (23) C 11 s( 1.37%)p 7.71( 10.54%)d12.68( 17.34%) f16.39( 22.41%)g35.36( 48.34%) 742. (0.00000) RY (24) C 11 s( 32.47%)p 0.13( 4.17%)d 0.78( 25.49%) f 0.60( 19.53%)g 0.56( 18.33%) 743. (0.00000) RY (25) C 11 s( 32.04%)p 0.11( 3.45%)d 0.41( 13.23%) f 0.65( 20.86%)g 0.95( 30.41%) 744. (0.00000) RY (26) C 11 s( 18.80%)p 0.26( 4.80%)d 1.37( 25.75%) f 1.11( 20.91%)g 1.58( 29.74%) 745. (0.00000) RY (27) C 11 s( 5.03%)p 0.76( 3.82%)d 5.75( 28.92%) f10.75( 54.06%)g 1.62( 8.17%) 746. (0.00000) RY (28) C 11 s( 4.23%)p 9.21( 38.94%)d 4.22( 17.83%) f 3.54( 14.99%)g 5.68( 24.02%) 747. (0.00000) RY (29) C 11 s( 6.02%)p 4.35( 26.21%)d 7.22( 43.49%) f 2.78( 16.77%)g 1.25( 7.51%) 748. (0.00000) RY (30) C 11 s( 0.79%)p13.64( 10.80%)d35.73( 28.28%) f46.48( 36.78%)g29.51( 23.35%) 749. (0.00000) RY (31) C 11 s( 0.53%)p 6.23( 3.32%)d78.62( 41.94%) f69.63( 37.14%)g31.99( 17.06%) 750. (0.00000) RY (32) C 11 s( 10.84%)p 1.52( 16.45%)d 1.63( 17.66%) f 4.37( 47.36%)g 0.71( 7.70%) 751. (0.00000) RY (33) C 11 s( 13.43%)p 1.84( 24.74%)d 3.10( 41.69%) f 1.29( 17.35%)g 0.21( 2.78%) 752. (0.00000) RY (34) C 11 s( 4.43%)p 5.15( 22.81%)d 8.14( 36.06%) f 7.13( 31.57%)g 1.16( 5.13%) 753. (0.00000) RY (35) C 11 s( 1.98%)p 7.44( 14.73%)d18.97( 37.54%) f21.94( 43.42%)g 1.17( 2.32%) 754. (0.00000) RY (36) C 11 s( 81.57%)p 0.00( 0.33%)d 0.04( 3.14%) f 0.08( 6.34%)g 0.11( 8.62%) 755. (0.00000) RY (37) C 11 s( 0.91%)p 0.74( 0.68%)d 9.66( 8.79%) f74.85( 68.08%)g23.69( 21.55%) 756. (0.00000) RY (38) C 11 s( 1.36%)p 0.59( 0.81%)d 2.74( 3.74%) f41.00( 55.96%)g27.93( 38.12%) 757. (0.00000) RY (39) C 11 s( 7.66%)p 0.08( 0.60%)d 0.43( 3.32%) f 7.15( 54.78%)g 4.39( 33.64%) 758. (0.00000) RY (40) C 11 s( 6.16%)p 0.06( 0.36%)d 1.42( 8.74%) f10.40( 64.07%)g 3.35( 20.67%) 759. (0.00000) RY (41) C 11 s( 5.78%)p 0.61( 3.55%)d 1.09( 6.32%) f 4.03( 23.33%)g10.55( 61.02%) 760. (0.00000) RY (42) C 11 s( 3.02%)p 0.38( 1.14%)d 2.61( 7.87%) f17.56( 53.04%)g11.56( 34.93%) 761. (0.00000) RY (43) C 11 s( 20.97%)p 0.12( 2.56%)d 0.60( 12.62%) f 1.05( 22.09%)g 1.99( 41.75%) 762. (0.00000) RY (44) C 11 s( 9.51%)p 0.17( 1.60%)d 1.90( 18.12%) f 3.57( 33.95%)g 3.87( 36.82%) 763. (0.00000) RY (45) C 11 s( 3.21%)p 0.18( 0.57%)d 5.30( 16.98%) f11.35( 36.41%)g13.36( 42.84%) 764. (0.00000) RY (46) C 11 s( 1.75%)p 0.86( 1.51%)d22.44( 39.37%) f15.19( 26.65%)g17.50( 30.71%) 765. (0.00000) RY (47) C 11 s( 4.71%)p 1.76( 8.27%)d10.85( 51.06%) f 5.14( 24.17%)g 2.50( 11.78%) 766. (0.00000) RY (48) C 11 s( 6.22%)p 0.73( 4.53%)d 5.19( 32.31%) f 1.37( 8.50%)g 7.78( 48.44%) 767. (0.00000) RY (49) C 11 s( 7.84%)p 0.72( 5.63%)d 2.10( 16.43%) f 4.14( 32.43%)g 4.81( 37.68%) 768. (0.00000) RY (50) C 11 s( 16.88%)p 0.19( 3.21%)d 0.99( 16.72%) f 1.04( 17.49%)g 2.71( 45.70%) 769. (0.00000) RY (51) C 11 s( 4.41%)p 1.59( 6.99%)d 6.41( 28.26%) f 3.08( 13.55%)g10.62( 46.79%) 770. (0.00000) RY (52) C 11 s( 4.57%)p 0.47( 2.15%)d 2.64( 12.07%) f 5.77( 26.39%)g11.99( 54.82%) 771. (0.00219) RY ( 1) C 12 s( 12.36%)p 6.31( 78.01%)d 0.69( 8.49%) f 0.08( 1.05%)g 0.01( 0.08%) 0.0000 -0.0116 0.3480 -0.0463 -0.0094 0.0128 0.0002 0.0095 0.5246 -0.0304 0.0006 -0.0054 0.5121 -0.0254 0.0109 0.0202 -0.4892 0.0276 0.0196 0.0047 0.0478 0.0003 -0.0382 0.0649 -0.0025 0.0121 0.0288 -0.0059 0.0865 -0.0058 -0.0031 0.1794 -0.1903 0.0003 0.0224 0.0206 -0.0474 -0.0063 -0.0499 -0.0008 0.0416 0.0000 0.0029 0.0014 -0.0034 0.0004 -0.0495 0.0245 -0.0138 0.0192 -0.0123 0.0025 0.0090 -0.0026 0.0022 0.0012 0.0010 772. (0.00191) RY ( 2) C 12 s( 1.47%)p63.61( 93.56%)d 1.91( 2.80%) f 1.45( 2.14%)g 0.02( 0.03%) 0.0000 -0.0036 0.1208 -0.0084 -0.0038 0.0053 0.0002 -0.0410 -0.8191 -0.0449 -0.0221 0.0006 0.3141 0.0120 0.0123 -0.0037 -0.4000 -0.0387 -0.0033 -0.0134 -0.0816 0.0151 -0.0398 0.0607 0.0109 0.0045 -0.0027 -0.0047 0.0640 -0.0433 0.0042 0.0753 -0.0613 0.0107 0.0652 -0.0041 0.0653 -0.0170 -0.0362 0.0069 -0.0543 0.0188 0.0080 0.0039 -0.0850 0.0237 -0.0031 -0.0017 -0.0103 -0.0010 -0.0068 0.0067 -0.0029 0.0083 0.0022 -0.0034 0.0012 773. (0.00158) RY ( 3) C 12 s( 24.14%)p 1.77( 42.76%)d 1.29( 31.12%) f 0.08( 1.87%)g 0.00( 0.11%) 0.0000 0.0127 0.4883 0.0516 -0.0066 -0.0069 -0.0005 0.0026 -0.0791 0.0432 -0.0028 -0.0289 0.2693 -0.0145 0.0054 -0.0200 0.5807 -0.0903 -0.0081 -0.0477 0.0784 0.0007 0.0607 -0.1484 -0.0055 0.0889 0.0039 0.0007 0.3856 -0.2959 0.0176 0.1028 0.1468 0.0219 -0.0311 -0.0066 0.0230 0.0063 -0.1146 0.0181 0.0257 -0.0008 0.0479 -0.0093 -0.0068 0.0028 -0.0191 0.0152 -0.0001 -0.0190 0.0050 -0.0197 0.0049 0.0171 0.0017 0.0051 -0.0003 774. (0.00047) RY ( 4) C 12 s( 7.92%)p 3.69( 29.25%)d 7.53( 59.67%) f 0.38( 2.97%)g 0.02( 0.20%) 0.0000 -0.0070 0.2788 -0.0346 0.0037 -0.0147 0.0009 -0.0022 0.0529 0.3792 0.0889 0.0001 -0.2948 0.1650 -0.0373 0.0036 -0.0699 -0.1306 -0.0225 -0.1596 -0.6248 -0.0163 -0.2615 0.0593 -0.0540 -0.2626 -0.0556 -0.0389 0.0191 -0.1265 0.0169 0.1157 -0.0362 -0.0276 -0.0536 0.0176 0.0496 0.0039 0.0274 0.0236 -0.0162 0.0266 0.0350 0.0755 -0.0266 -0.0072 -0.1187 -0.0009 -0.0039 0.0223 -0.0180 0.0077 0.0158 0.0176 0.0221 -0.0001 0.0047 775. (0.00043) RY ( 5) C 12 s( 13.93%)p 2.20( 30.64%)d 3.57( 49.71%) f 0.39( 5.41%)g 0.02( 0.30%) 0.0000 0.0022 0.3491 -0.1301 0.0207 -0.0071 0.0011 -0.0009 -0.0692 -0.1309 -0.0736 -0.0272 -0.4029 0.3298 0.0189 -0.0075 -0.0826 0.0016 0.0025 0.2295 0.5045 0.0377 -0.0318 0.0251 0.0522 -0.3452 0.1402 -0.0705 0.0323 0.0230 0.0127 0.1677 -0.1028 0.0011 -0.0726 0.0146 0.0939 -0.0234 0.0635 -0.0118 -0.0105 0.0064 -0.0978 -0.0614 -0.0472 0.0146 -0.1211 0.0672 -0.0074 -0.0183 -0.0368 0.0093 0.0296 -0.0002 0.0034 0.0002 -0.0178 776. (0.00026) RY ( 6) C 12 s( 1.28%)p13.41( 17.11%)d35.38( 45.14%) f27.68( 35.33%)g 0.90( 1.14%) 0.0000 -0.0137 0.0850 0.0710 -0.0001 -0.0175 -0.0006 -0.0007 0.0699 0.0404 -0.1360 0.0118 -0.1590 -0.1903 -0.0438 0.0162 0.0441 -0.2675 -0.0938 -0.1412 0.1475 -0.0327 -0.2939 0.3311 0.0667 0.3597 0.0750 0.0036 -0.0737 0.1335 -0.0527 0.2132 0.0351 0.0222 0.1980 -0.0479 0.3544 -0.1174 -0.1209 -0.0310 -0.2178 0.0782 0.0135 -0.0038 -0.2513 0.0855 0.1763 -0.0386 -0.0752 -0.0099 0.0428 0.0565 -0.0128 -0.0166 -0.0051 -0.0119 0.0070 777. (0.00023) RY ( 7) C 12 s( 2.16%)p 6.40( 13.83%)d20.01( 43.23%) f18.17( 39.25%)g 0.71( 1.53%) 0.0000 -0.0130 0.1199 0.0826 0.0121 -0.0098 0.0009 -0.0133 -0.1388 0.0670 0.1836 0.0100 -0.1340 -0.1543 -0.0702 0.0117 0.0268 -0.1797 -0.0275 -0.0840 0.0812 0.0226 -0.0898 -0.1164 -0.0578 0.3195 0.1614 0.0191 -0.1121 0.3040 0.0059 0.3339 -0.2164 -0.0370 -0.2905 0.1029 -0.3227 0.0814 0.0618 -0.0680 0.2972 -0.0858 0.1638 -0.0308 0.2132 -0.0777 -0.0559 0.0133 0.0400 0.0975 0.0045 -0.0296 -0.0407 -0.0313 0.0151 -0.0157 -0.0129 778. (0.00014) RY ( 8) C 12 s( 17.04%)p 2.56( 43.69%)d 1.97( 33.53%) f 0.32( 5.43%)g 0.02( 0.31%) 0.0000 -0.0024 0.3871 -0.1351 0.0341 -0.0339 0.0024 0.0032 -0.0057 -0.5047 0.0530 0.0066 -0.2456 -0.2450 -0.0018 -0.0017 -0.0868 0.2266 0.0107 -0.3117 -0.1152 -0.0527 0.1118 -0.1113 0.0097 0.1259 -0.3070 0.0462 -0.2477 -0.0874 0.0238 -0.0710 0.0957 -0.0343 -0.0800 0.0100 0.0298 0.0209 0.0254 0.0144 0.0930 -0.0029 -0.1123 0.0406 -0.1360 0.0229 0.0601 -0.0032 0.0421 -0.0081 -0.0127 -0.0109 0.0144 0.0014 0.0060 -0.0263 0.0036 779. (0.00009) RY ( 9) C 12 s( 4.19%)p10.55( 44.25%)d 8.89( 37.29%) f 3.22( 13.52%)g 0.18( 0.75%) 780. (0.00007) RY (10) C 12 s( 0.23%)p99.99( 32.63%)d99.99( 48.18%) f79.60( 18.24%)g 3.17( 0.73%) 781. (0.00005) RY (11) C 12 s( 7.15%)p 3.98( 28.44%)d 4.45( 31.78%) f 4.46( 31.89%)g 0.10( 0.74%) 782. (0.00003) RY (12) C 12 s( 11.28%)p 0.85( 9.63%)d 4.55( 51.28%) f 2.25( 25.40%)g 0.21( 2.41%) 783. (0.00003) RY (13) C 12 s( 0.95%)p15.00( 14.27%)d62.32( 59.27%) f22.92( 21.79%)g 3.92( 3.72%) 784. (0.00002) RY (14) C 12 s( 18.43%)p 1.76( 32.47%)d 1.99( 36.64%) f 0.52( 9.67%)g 0.15( 2.79%) 785. (0.00001) RY (15) C 12 s( 13.58%)p 0.16( 2.22%)d 2.20( 29.83%) f 3.35( 45.52%)g 0.65( 8.85%) 786. (0.00001) RY (16) C 12 s( 5.68%)p 1.19( 6.78%)d 7.40( 42.01%) f 7.37( 41.85%)g 0.65( 3.69%) 787. (0.00001) RY (17) C 12 s( 11.43%)p 2.85( 32.58%)d 2.01( 22.92%) f 2.60( 29.68%)g 0.30( 3.39%) 788. (0.00001) RY (18) C 12 s( 24.89%)p 0.66( 16.33%)d 1.27( 31.61%) f 1.04( 25.78%)g 0.06( 1.39%) 789. (0.00000) RY (19) C 12 s( 13.15%)p 1.70( 22.41%)d 3.89( 51.14%) f 0.78( 10.26%)g 0.23( 3.04%) 790. (0.00000) RY (20) C 12 s( 1.31%)p 0.52( 0.68%)d44.87( 58.97%) f14.33( 18.83%)g15.38( 20.21%) 791. (0.00000) RY (21) C 12 s( 2.47%)p 4.90( 12.12%)d16.78( 41.48%) f11.09( 27.41%)g 6.68( 16.52%) 792. (0.00000) RY (22) C 12 s( 13.30%)p 0.10( 1.34%)d 1.49( 19.84%) f 1.51( 20.04%)g 3.42( 45.48%) 793. (0.00000) RY (23) C 12 s( 23.54%)p 0.37( 8.60%)d 0.90( 21.28%) f 0.96( 22.64%)g 1.02( 23.95%) 794. (0.00000) RY (24) C 12 s( 4.71%)p 0.51( 2.41%)d 2.90( 13.62%) f 3.35( 15.76%)g13.49( 63.50%) 795. (0.00000) RY (25) C 12 s( 1.18%)p32.06( 37.70%)d 7.43( 8.74%) f25.31( 29.77%)g19.23( 22.61%) 796. (0.00000) RY (26) C 12 s( 24.73%)p 0.81( 20.12%)d 0.95( 23.50%) f 0.64( 15.94%)g 0.64( 15.71%) 797. (0.00000) RY (27) C 12 s( 2.88%)p13.71( 39.49%)d10.25( 29.53%) f 7.74( 22.31%)g 2.01( 5.79%) 798. (0.00000) RY (28) C 12 s( 7.49%)p 1.21( 9.07%)d 6.54( 48.98%) f 3.68( 27.56%)g 0.92( 6.91%) 799. (0.00000) RY (29) C 12 s( 2.64%)p11.55( 30.54%)d15.33( 40.53%) f 6.08( 16.08%)g 3.86( 10.20%) 800. (0.00000) RY (30) C 12 s( 3.95%)p 2.16( 8.53%)d 8.46( 33.44%) f12.00( 47.44%)g 1.68( 6.63%) 801. (0.00000) RY (31) C 12 s( 1.80%)p12.82( 23.04%)d22.93( 41.20%) f13.80( 24.80%)g 5.11( 9.17%) 802. (0.00000) RY (32) C 12 s( 5.81%)p 2.78( 16.15%)d 6.36( 36.94%) f 4.90( 28.44%)g 2.18( 12.66%) 803. (0.00000) RY (33) C 12 s( 6.01%)p 2.33( 14.01%)d 3.49( 20.96%) f 8.92( 53.64%)g 0.90( 5.38%) 804. (0.00000) RY (34) C 12 s( 1.07%)p32.46( 34.68%)d31.09( 33.22%) f27.16( 29.02%)g 1.89( 2.02%) 805. (0.00000) RY (35) C 12 s( 8.26%)p 1.59( 13.17%)d 5.15( 42.53%) f 3.87( 31.96%)g 0.49( 4.09%) 806. (0.00000) RY (36) C 12 s( 0.89%)p 8.47( 7.54%)d31.58( 28.10%) f52.94( 47.11%)g18.39( 16.36%) 807. (0.00000) RY (37) C 12 s( 67.69%)p 0.00( 0.32%)d 0.04( 2.52%) f 0.23( 15.23%)g 0.21( 14.23%) 808. (0.00000) RY (38) C 12 s( 5.73%)p 0.57( 3.25%)d 2.28( 13.05%) f 5.63( 32.30%)g 7.96( 45.67%) 809. (0.00000) RY (39) C 12 s( 5.29%)p 0.06( 0.33%)d 0.84( 4.44%) f 2.17( 11.49%)g14.82( 78.44%) 810. (0.00000) RY (40) C 12 s( 10.12%)p 0.40( 4.07%)d 2.14( 21.69%) f 4.62( 46.70%)g 1.72( 17.42%) 811. (0.00000) RY (41) C 12 s( 0.92%)p 0.56( 0.51%)d 6.61( 6.05%) f65.33( 59.81%)g35.72( 32.70%) 812. (0.00000) RY (42) C 12 s( 2.29%)p 0.14( 0.31%)d 3.43( 7.86%) f31.96( 73.32%)g 7.07( 16.21%) 813. (0.00000) RY (43) C 12 s( 5.87%)p 0.30( 1.79%)d 0.69( 4.03%) f 3.69( 21.64%)g11.35( 66.67%) 814. (0.00000) RY (44) C 12 s( 1.25%)p 1.46( 1.83%)d13.98( 17.45%) f47.50( 59.30%)g16.16( 20.17%) 815. (0.00000) RY (45) C 12 s( 13.37%)p 0.08( 1.04%)d 0.62( 8.28%) f 3.20( 42.81%)g 2.58( 34.50%) 816. (0.00000) RY (46) C 12 s( 12.45%)p 0.14( 1.68%)d 1.74( 21.63%) f 3.25( 40.42%)g 1.91( 23.82%) 817. (0.00000) RY (47) C 12 s( 12.73%)p 0.38( 4.79%)d 2.29( 29.15%) f 3.13( 39.82%)g 1.06( 13.50%) 818. (0.00000) RY (48) C 12 s( 18.12%)p 0.07( 1.31%)d 0.56( 10.07%) f 1.16( 21.08%)g 2.73( 49.43%) 819. (0.00000) RY (49) C 12 s( 9.27%)p 0.27( 2.48%)d 1.40( 12.94%) f 3.94( 36.56%)g 4.18( 38.76%) 820. (0.00000) RY (50) C 12 s( 30.53%)p 0.10( 3.16%)d 0.50( 15.16%) f 0.62( 19.03%)g 1.05( 32.12%) 821. (0.00000) RY (51) C 12 s( 0.23%)p 6.60( 1.52%)d99.99( 49.79%) f81.06( 18.62%)g99.99( 29.85%) 822. (0.00000) RY (52) C 12 s( 1.09%)p 2.07( 2.25%)d15.42( 16.75%) f14.60( 15.87%)g58.96( 64.05%) 823. (0.00274) RY ( 1) C 13 s( 20.83%)p 3.32( 69.12%)d 0.45( 9.33%) f 0.03( 0.69%)g 0.00( 0.03%) 0.0000 -0.0093 0.4551 -0.0278 -0.0024 0.0160 0.0003 0.0146 -0.2564 0.0661 0.0203 -0.0043 0.6866 0.0377 0.0312 0.0007 -0.3816 0.0281 0.0125 -0.0564 0.0795 -0.0127 0.0252 -0.0694 -0.0015 -0.0046 -0.0566 0.0019 0.1923 -0.1507 0.0109 0.1091 -0.0570 0.0059 0.0034 -0.0018 0.0315 -0.0009 -0.0283 0.0189 0.0353 0.0113 -0.0265 0.0012 0.0391 0.0061 -0.0325 0.0052 0.0046 0.0006 0.0009 0.0003 -0.0057 -0.0036 -0.0107 -0.0008 -0.0105 824. (0.00172) RY ( 2) C 13 s( 0.32%)p99.99( 92.12%)d15.34( 4.94%) f 7.99( 2.57%)g 0.15( 0.05%) 0.0000 0.0053 0.0520 0.0190 0.0073 -0.0084 -0.0003 0.0120 0.7712 -0.0595 -0.0036 -0.0066 -0.0625 -0.0234 -0.0026 -0.0408 -0.5555 -0.0877 -0.0191 0.0893 0.0373 0.0032 -0.0495 0.1535 0.0085 -0.0242 -0.0628 0.0057 0.0849 -0.0126 0.0090 0.0224 -0.0348 0.0131 -0.0056 0.0112 0.1185 -0.0274 0.0215 -0.0001 -0.0858 0.0085 -0.0382 0.0098 -0.0264 -0.0033 -0.0246 -0.0040 0.0093 -0.0130 -0.0014 -0.0002 0.0005 0.0050 0.0072 -0.0080 0.0095 825. (0.00144) RY ( 3) C 13 s( 14.39%)p 3.63( 52.19%)d 2.18( 31.41%) f 0.13( 1.88%)g 0.01( 0.13%) 0.0000 0.0136 0.3761 0.0468 0.0093 -0.0027 -0.0003 -0.0254 0.3206 -0.0300 -0.0043 -0.0265 0.1378 0.0116 0.0251 0.0041 0.6299 0.0147 0.0134 0.0830 -0.0466 0.0046 -0.1690 0.3137 -0.0007 0.0597 -0.0294 0.0031 0.2217 -0.0454 0.0245 0.2463 -0.2471 0.0071 0.0408 0.0050 -0.0786 0.0143 -0.0083 0.0073 0.0023 -0.0212 -0.0717 0.0155 -0.0156 -0.0064 -0.0646 0.0169 -0.0215 -0.0225 0.0029 0.0161 0.0034 -0.0010 0.0022 -0.0066 0.0038 826. (0.00050) RY ( 4) C 13 s( 15.70%)p 2.11( 33.06%)d 2.89( 45.35%) f 0.33( 5.14%)g 0.05( 0.75%) 0.0000 0.0091 0.3586 -0.1672 -0.0058 -0.0187 0.0013 -0.0138 -0.0256 0.1703 0.0355 -0.0313 -0.3978 0.3632 0.0041 -0.0095 -0.0855 -0.0310 -0.0019 -0.5853 -0.1004 -0.0774 -0.0431 0.0505 -0.0164 -0.2077 0.1211 -0.0305 -0.0351 -0.1300 0.0025 0.0555 -0.0979 0.0256 0.0264 0.0108 0.0076 -0.0057 -0.1405 0.0293 -0.0297 0.0079 0.1546 -0.0210 0.0165 0.0059 0.0116 0.0643 -0.0111 -0.0274 0.0255 0.0106 -0.0109 0.0051 -0.0670 0.0029 -0.0348 827. (0.00045) RY ( 5) C 13 s( 2.26%)p10.66( 24.12%)d31.11( 70.41%) f 1.35( 3.05%)g 0.07( 0.15%) 0.0000 -0.0106 0.1375 -0.0594 -0.0032 -0.0078 0.0002 0.0069 -0.1038 -0.2625 -0.0650 0.0098 -0.2481 0.1380 -0.0197 0.0033 0.0140 0.2611 0.0885 0.1810 0.3721 0.0003 0.0580 -0.0243 -0.0354 -0.3040 -0.5938 -0.0336 0.1959 -0.0958 0.0466 -0.1680 -0.0105 -0.0596 0.0342 0.0105 -0.0597 0.0337 0.0392 0.0791 -0.0473 0.0120 0.0648 0.0251 0.0057 0.0082 -0.0874 -0.0421 0.0049 0.0222 0.0092 0.0160 -0.0195 -0.0055 -0.0006 -0.0155 0.0000 828. (0.00028) RY ( 6) C 13 s( 10.80%)p 1.75( 18.91%)d 4.98( 53.83%) f 1.47( 15.92%)g 0.05( 0.53%) 0.0000 -0.0159 0.3254 -0.0253 0.0166 -0.0308 -0.0003 0.0147 -0.0068 -0.2712 -0.0550 -0.0023 -0.2502 -0.0865 -0.0460 0.0066 -0.0557 -0.1921 -0.0070 0.1597 -0.0051 -0.0224 0.4769 -0.2508 -0.0168 0.2326 0.3173 0.0071 0.2501 0.0631 0.0158 0.0052 0.0012 0.0038 0.1631 -0.0382 -0.3271 0.0932 0.0124 -0.0444 -0.0165 -0.0041 0.0236 -0.0607 -0.0363 0.0406 -0.0766 -0.0007 -0.0126 0.0583 -0.0029 0.0002 0.0045 -0.0213 -0.0013 -0.0081 0.0340 829. (0.00021) RY ( 7) C 13 s( 4.62%)p 2.28( 10.56%)d 4.72( 21.79%) f13.18( 60.90%)g 0.46( 2.13%) 0.0000 -0.0048 0.2130 0.0240 -0.0037 -0.0152 0.0004 -0.0031 -0.0785 -0.0316 0.1072 -0.0019 -0.1091 -0.0334 0.0085 0.0136 0.1457 -0.0711 -0.2175 0.0715 0.0565 0.0078 0.1789 0.0691 0.0212 0.1410 0.0105 -0.0391 0.1150 -0.1018 -0.0520 -0.1127 0.3258 0.0752 0.0384 0.0035 0.6629 -0.2116 -0.1496 0.0185 -0.2248 0.0740 -0.1341 0.0227 -0.0893 0.0352 0.1221 -0.0439 0.0727 -0.0729 0.0154 -0.0853 0.0336 0.0256 0.0185 0.0261 -0.0190 830. (0.00010) RY ( 8) C 13 s( 11.36%)p 2.85( 32.42%)d 3.24( 36.84%) f 1.61( 18.33%)g 0.09( 1.05%) 831. (0.00005) RY ( 9) C 13 s( 0.79%)p20.85( 16.56%)d59.95( 47.62%) f42.37( 33.65%)g 1.73( 1.37%) 832. (0.00004) RY (10) C 13 s( 3.60%)p 9.36( 33.70%)d 9.52( 34.29%) f 7.32( 26.37%)g 0.56( 2.03%) 833. (0.00003) RY (11) C 13 s( 3.09%)p 9.40( 29.09%)d15.68( 48.50%) f 5.65( 17.48%)g 0.60( 1.85%) 834. (0.00002) RY (12) C 13 s( 1.83%)p 9.22( 16.85%)d31.87( 58.26%) f11.66( 21.31%)g 0.96( 1.75%) 835. (0.00002) RY (13) C 13 s( 10.71%)p 1.70( 18.25%)d 3.76( 40.23%) f 2.22( 23.74%)g 0.66( 7.07%) 836. (0.00001) RY (14) C 13 s( 2.05%)p16.44( 33.78%)d14.55( 29.90%) f14.66( 30.13%)g 2.02( 4.14%) 837. (0.00001) RY (15) C 13 s( 2.36%)p 8.78( 20.73%)d24.28( 57.35%) f 6.80( 16.05%)g 1.49( 3.51%) 838. (0.00001) RY (16) C 13 s( 31.37%)p 0.81( 25.40%)d 0.72( 22.70%) f 0.57( 17.90%)g 0.08( 2.63%) 839. (0.00001) RY (17) C 13 s( 16.04%)p 1.39( 22.29%)d 2.71( 43.51%) f 1.03( 16.50%)g 0.10( 1.66%) 840. (0.00001) RY (18) C 13 s( 7.21%)p 2.89( 20.82%)d 3.90( 28.08%) f 5.77( 41.56%)g 0.32( 2.32%) 841. (0.00000) RY (19) C 13 s( 1.35%)p14.46( 19.59%)d32.66( 44.25%) f24.96( 33.82%)g 0.73( 0.98%) 842. (0.00000) RY (20) C 13 s( 4.12%)p 1.02( 4.21%)d 5.92( 24.35%) f 6.91( 28.43%)g 9.45( 38.89%) 843. (0.00000) RY (21) C 13 s( 15.17%)p 0.37( 5.64%)d 1.66( 25.13%) f 1.90( 28.89%)g 1.66( 25.18%) 844. (0.00000) RY (22) C 13 s( 42.82%)p 0.13( 5.68%)d 0.70( 29.90%) f 0.22( 9.40%)g 0.29( 12.21%) 845. (0.00000) RY (23) C 13 s( 26.45%)p 0.51( 13.50%)d 1.10( 29.10%) f 0.60( 15.77%)g 0.57( 15.19%) 846. (0.00000) RY (24) C 13 s( 7.97%)p 1.00( 7.99%)d 3.69( 29.43%) f 5.83( 46.48%)g 1.02( 8.14%) 847. (0.00000) RY (25) C 13 s( 3.44%)p 2.51( 8.63%)d 5.14( 17.69%) f 5.04( 17.33%)g15.39( 52.92%) 848. (0.00000) RY (26) C 13 s( 24.89%)p 0.28( 7.03%)d 0.64( 16.03%) f 1.12( 27.87%)g 0.97( 24.19%) 849. (0.00000) RY (27) C 13 s( 9.53%)p 2.03( 19.32%)d 1.90( 18.10%) f 5.19( 49.50%)g 0.37( 3.54%) 850. (0.00000) RY (28) C 13 s( 2.44%)p 6.32( 15.40%)d12.60( 30.73%) f13.26( 32.32%)g 7.83( 19.10%) 851. (0.00000) RY (29) C 13 s( 3.29%)p 2.44( 8.04%)d 8.66( 28.51%) f 9.93( 32.70%)g 8.34( 27.45%) 852. (0.00000) RY (30) C 13 s( 14.11%)p 1.30( 18.35%)d 2.71( 38.18%) f 1.52( 21.39%)g 0.56( 7.97%) 853. (0.00000) RY (31) C 13 s( 3.65%)p 9.34( 34.05%)d 5.08( 18.53%) f 9.38( 34.19%)g 2.63( 9.58%) 854. (0.00000) RY (32) C 13 s( 2.73%)p 7.58( 20.70%)d10.08( 27.52%) f14.88( 40.63%)g 3.08( 8.42%) 855. (0.00000) RY (33) C 13 s( 7.10%)p 0.69( 4.92%)d 8.26( 58.67%) f 3.52( 25.00%)g 0.61( 4.31%) 856. (0.00000) RY (34) C 13 s( 8.08%)p 2.53( 20.45%)d 4.95( 40.02%) f 3.51( 28.38%)g 0.38( 3.08%) 857. (0.00000) RY (35) C 13 s( 4.15%)p 5.98( 24.84%)d 6.24( 25.92%) f 8.86( 36.80%)g 1.99( 8.28%) 858. (0.00000) RY (36) C 13 s( 8.02%)p 4.00( 32.11%)d 4.88( 39.12%) f 2.38( 19.06%)g 0.21( 1.69%) 859. (0.00000) RY (37) C 13 s( 8.50%)p 3.24( 27.54%)d 2.74( 23.30%) f 3.13( 26.63%)g 1.65( 14.04%) 860. (0.00000) RY (38) C 13 s( 87.55%)p 0.00( 0.08%)d 0.04( 3.25%) f 0.03( 2.98%)g 0.07( 6.14%) 861. (0.00000) RY (39) C 13 s( 1.15%)p 0.50( 0.58%)d 6.85( 7.86%) f19.62( 22.50%)g59.21( 67.92%) 862. (0.00000) RY (40) C 13 s( 1.12%)p 0.41( 0.46%)d 7.97( 8.96%) f31.43( 35.35%)g48.10( 54.10%) 863. (0.00000) RY (41) C 13 s( 0.41%)p 0.38( 0.16%)d19.04( 7.81%) f99.99( 49.30%)g99.99( 42.33%) 864. (0.00000) RY (42) C 13 s( 7.42%)p 0.07( 0.53%)d 0.45( 3.31%) f 4.12( 30.61%)g 7.83( 58.13%) 865. (0.00000) RY (43) C 13 s( 2.06%)p 0.43( 0.88%)d 9.60( 19.80%) f29.28( 60.38%)g 8.19( 16.89%) 866. (0.00000) RY (44) C 13 s( 2.93%)p 0.12( 0.35%)d 2.77( 8.14%) f16.21( 47.57%)g13.97( 41.00%) 867. (0.00000) RY (45) C 13 s( 1.52%)p 1.08( 1.64%)d13.69( 20.84%) f12.06( 18.36%)g37.85( 57.64%) 868. (0.00000) RY (46) C 13 s( 3.20%)p 0.64( 2.04%)d 9.59( 30.67%) f12.25( 39.20%)g 7.78( 24.89%) 869. (0.00000) RY (47) C 13 s( 5.04%)p 0.26( 1.30%)d 4.12( 20.76%) f 7.06( 35.58%)g 7.40( 37.32%) 870. (0.00000) RY (48) C 13 s( 6.76%)p 0.21( 1.44%)d 2.30( 15.57%) f 7.92( 53.54%)g 3.36( 22.70%) 871. (0.00000) RY (49) C 13 s( 1.86%)p 0.87( 1.62%)d18.18( 33.73%) f14.66( 27.19%)g19.19( 35.60%) 872. (0.00000) RY (50) C 13 s( 1.09%)p 0.53( 0.58%)d40.50( 44.14%) f20.11( 21.92%)g29.61( 32.27%) 873. (0.00000) RY (51) C 13 s( 16.92%)p 1.17( 19.79%)d 0.68( 11.51%) f 1.43( 24.19%)g 1.63( 27.59%) 874. (0.00000) RY (52) C 13 s( 4.04%)p 0.32( 1.28%)d 3.51( 14.18%) f 5.78( 23.37%)g14.13( 57.13%) 875. (0.00312) RY ( 1) C 14 s( 23.29%)p 2.81( 65.42%)d 0.46( 10.68%) f 0.03( 0.59%)g 0.00( 0.02%) 0.0000 -0.0086 0.4816 -0.0264 0.0037 0.0140 0.0003 0.0100 -0.2555 0.0474 0.0154 -0.0037 0.6545 0.0333 0.0350 -0.0083 0.3933 -0.0263 -0.0103 -0.0446 0.0649 -0.0092 -0.0208 0.0617 0.0016 -0.0544 0.0757 -0.0034 0.2166 -0.1345 0.0146 0.1325 -0.0694 0.0057 -0.0216 0.0081 0.0207 0.0055 -0.0258 0.0186 -0.0437 -0.0038 0.0174 -0.0010 0.0315 0.0031 -0.0247 0.0065 0.0019 -0.0021 -0.0022 0.0011 -0.0080 0.0013 0.0091 0.0020 -0.0087 876. (0.00175) RY ( 2) C 14 s( 0.65%)p99.99( 92.55%)d 6.19( 4.03%) f 4.19( 2.73%)g 0.08( 0.05%) 0.0000 0.0035 0.0754 0.0273 0.0042 -0.0064 -0.0004 0.0211 0.8019 -0.0348 0.0006 -0.0120 -0.0734 -0.0528 -0.0094 0.0367 0.5145 0.0773 0.0165 0.0851 0.0843 0.0037 0.0341 -0.1043 -0.0060 -0.0243 0.0584 -0.0097 0.0894 -0.0221 0.0027 0.0056 0.0335 0.0097 -0.0361 0.0028 0.1164 -0.0286 -0.0027 0.0049 0.0975 -0.0169 0.0171 0.0021 -0.0003 -0.0034 -0.0380 -0.0034 0.0054 0.0160 -0.0011 0.0010 -0.0025 -0.0018 -0.0063 -0.0097 0.0094 877. (0.00149) RY ( 3) C 14 s( 10.17%)p 5.56( 56.53%)d 3.10( 31.51%) f 0.16( 1.66%)g 0.01( 0.14%) 0.0000 0.0152 0.3137 0.0538 0.0073 -0.0096 -0.0005 -0.0257 0.3141 -0.0339 -0.0109 -0.0251 0.1778 -0.0029 0.0186 -0.0019 -0.6573 0.0040 -0.0063 0.0527 0.0117 0.0075 0.2203 -0.3723 -0.0027 -0.1481 0.0866 -0.0092 0.2156 -0.0646 0.0222 0.1620 -0.1341 0.0049 -0.0156 -0.0067 -0.0604 0.0000 -0.0113 0.0043 -0.0144 0.0277 0.0946 -0.0164 -0.0051 -0.0071 -0.0466 0.0074 -0.0285 0.0071 0.0036 0.0180 -0.0003 0.0070 -0.0084 -0.0083 0.0037 878. (0.00050) RY ( 4) C 14 s( 20.33%)p 1.83( 37.19%)d 1.79( 36.46%) f 0.26( 5.36%)g 0.03( 0.65%) 0.0000 0.0063 0.4083 -0.1899 -0.0080 -0.0204 0.0009 -0.0096 -0.0186 0.1239 0.0236 -0.0287 -0.4481 0.3861 0.0178 0.0060 0.0298 0.0577 -0.0146 -0.4320 -0.0494 -0.0646 -0.0524 -0.0687 0.0129 0.3316 0.0320 0.0431 0.0689 -0.1577 0.0224 0.1187 -0.0779 0.0262 -0.0630 0.0040 -0.0590 0.0000 -0.0895 0.0449 0.0189 0.0059 -0.1722 0.0153 -0.0079 0.0113 -0.0477 0.0580 -0.0260 -0.0015 -0.0178 0.0296 -0.0375 -0.0132 0.0527 0.0088 -0.0153 879. (0.00044) RY ( 5) C 14 s( 1.19%)p17.62( 20.89%)d63.17( 74.92%) f 2.39( 2.83%)g 0.14( 0.16%) 0.0000 -0.0133 0.1039 -0.0289 -0.0063 -0.0050 0.0001 0.0089 -0.1010 -0.3101 -0.0940 0.0163 -0.1968 0.0872 -0.0027 -0.0056 -0.0481 -0.1926 -0.0873 0.3281 0.4572 0.0166 -0.1069 0.1372 0.0136 0.1420 0.5421 0.0338 0.2187 0.0441 0.0529 -0.0872 0.1511 -0.0606 0.0099 0.0125 -0.0764 0.0336 0.0587 0.0743 0.0187 0.0056 0.0216 -0.0119 0.0031 0.0055 -0.0891 -0.0565 0.0150 -0.0262 -0.0077 -0.0048 -0.0082 0.0074 -0.0144 -0.0176 0.0002 880. (0.00027) RY ( 6) C 14 s( 9.14%)p 1.63( 14.94%)d 5.77( 52.78%) f 2.46( 22.50%)g 0.07( 0.65%) 0.0000 -0.0148 0.3003 -0.0083 0.0052 -0.0297 -0.0004 0.0136 0.0207 -0.1986 -0.0678 0.0004 -0.2370 -0.1232 -0.0447 -0.0072 0.0272 0.1749 -0.0043 0.1899 -0.1250 -0.0291 -0.4419 0.1808 0.0134 -0.3156 -0.3057 -0.0144 0.0975 0.0785 0.0090 0.0577 -0.1859 -0.0160 0.0024 -0.0280 -0.4065 0.1242 0.0782 -0.0669 -0.1193 0.0242 0.1043 0.0085 -0.0293 0.0449 -0.0645 0.0098 0.0114 -0.0608 0.0082 -0.0174 0.0175 0.0327 0.0046 -0.0034 0.0293 881. (0.00020) RY ( 7) C 14 s( 6.04%)p 2.04( 12.33%)d 4.32( 26.09%) f 8.87( 53.55%)g 0.33( 1.99%) 0.0000 -0.0064 0.2427 0.0310 -0.0120 -0.0176 0.0008 -0.0041 -0.0971 -0.0487 0.1379 0.0012 -0.1079 -0.0837 -0.0375 -0.0147 -0.1569 0.0604 0.2095 0.0799 0.0327 0.0079 -0.2524 0.0470 0.0130 -0.2162 -0.1348 0.0144 0.0607 -0.0894 -0.0515 -0.1167 0.2947 0.0862 -0.3326 0.0743 0.4899 -0.1589 -0.1358 0.0125 0.3311 -0.1196 -0.0530 0.0356 -0.0462 0.0255 0.0653 -0.0207 0.0168 0.1159 -0.0195 -0.0570 0.0081 -0.0452 0.0063 0.0185 -0.0069 882. (0.00008) RY ( 8) C 14 s( 8.55%)p 3.71( 31.76%)d 4.29( 36.72%) f 2.57( 21.95%)g 0.12( 1.01%) 883. (0.00006) RY ( 9) C 14 s( 1.50%)p11.49( 17.28%)d31.37( 47.16%) f22.03( 33.12%)g 0.63( 0.94%) 884. (0.00004) RY (10) C 14 s( 7.01%)p 5.32( 37.28%)d 5.43( 38.04%) f 2.25( 15.74%)g 0.27( 1.92%) 885. (0.00003) RY (11) C 14 s( 6.35%)p 4.25( 26.97%)d 6.28( 39.88%) f 3.77( 23.96%)g 0.44( 2.83%) 886. (0.00002) RY (12) C 14 s( 5.82%)p 2.17( 12.59%)d 9.32( 54.21%) f 4.41( 25.65%)g 0.30( 1.74%) 887. (0.00002) RY (13) C 14 s( 4.16%)p 4.97( 20.64%)d12.27( 51.02%) f 5.31( 22.07%)g 0.51( 2.11%) 888. (0.00001) RY (14) C 14 s( 1.01%)p34.92( 35.37%)d33.94( 34.38%) f26.23( 26.57%)g 2.64( 2.68%) 889. (0.00001) RY (15) C 14 s( 2.28%)p14.42( 32.85%)d10.24( 23.32%) f14.56( 33.16%)g 3.68( 8.39%) 890. (0.00001) RY (16) C 14 s( 12.99%)p 1.56( 20.22%)d 2.32( 30.18%) f 2.56( 33.25%)g 0.26( 3.36%) 891. (0.00001) RY (17) C 14 s( 26.33%)p 0.89( 23.45%)d 0.82( 21.71%) f 1.01( 26.67%)g 0.07( 1.84%) 892. (0.00000) RY (18) C 14 s( 5.70%)p 0.28( 1.60%)d 5.21( 29.73%) f 1.11( 6.31%)g 9.93( 56.66%) 893. (0.00000) RY (19) C 14 s( 1.91%)p 2.44( 4.67%)d 8.19( 15.63%) f13.45( 25.69%)g27.28( 52.10%) 894. (0.00000) RY (20) C 14 s( 25.64%)p 0.18( 4.53%)d 0.95( 24.35%) f 0.70( 18.03%)g 1.07( 27.46%) 895. (0.00000) RY (21) C 14 s( 5.83%)p 3.21( 18.71%)d 2.81( 16.40%) f 5.84( 34.03%)g 4.29( 25.02%) 896. (0.00000) RY (22) C 14 s( 18.21%)p 0.32( 5.85%)d 1.41( 25.67%) f 1.75( 31.92%)g 1.01( 18.35%) 897. (0.00000) RY (23) C 14 s( 11.01%)p 0.64( 7.05%)d 0.85( 9.31%) f 3.02( 33.29%)g 3.57( 39.34%) 898. (0.00000) RY (24) C 14 s( 8.26%)p 3.32( 27.46%)d 1.60( 13.21%) f 4.18( 34.54%)g 2.00( 16.52%) 899. (0.00000) RY (25) C 14 s( 5.76%)p 6.18( 35.56%)d 3.80( 21.88%) f 2.99( 17.20%)g 3.41( 19.61%) 900. (0.00000) RY (26) C 14 s( 16.65%)p 0.92( 15.28%)d 1.55( 25.74%) f 1.80( 30.00%)g 0.74( 12.33%) 901. (0.00000) RY (27) C 14 s( 4.13%)p 8.04( 33.16%)d 8.97( 37.02%) f 5.20( 21.45%)g 1.03( 4.25%) 902. (0.00000) RY (28) C 14 s( 1.18%)p34.80( 40.97%)d21.39( 25.18%) f21.58( 25.40%)g 6.17( 7.27%) 903. (0.00000) RY (29) C 14 s( 0.71%)p 7.22( 5.15%)d49.55( 35.30%) f62.33( 44.41%)g20.25( 14.43%) 904. (0.00000) RY (30) C 14 s( 10.30%)p 1.22( 12.61%)d 3.77( 38.88%) f 3.43( 35.31%)g 0.28( 2.89%) 905. (0.00000) RY (31) C 14 s( 5.62%)p 2.33( 13.10%)d 8.03( 45.16%) f 5.00( 28.09%)g 1.43( 8.03%) 906. (0.00000) RY (32) C 14 s( 3.25%)p 4.19( 13.61%)d14.47( 47.05%) f 8.77( 28.51%)g 2.33( 7.57%) 907. (0.00000) RY (33) C 14 s( 6.18%)p 2.25( 13.88%)d 5.80( 35.81%) f 5.00( 30.90%)g 2.14( 13.22%) 908. (0.00000) RY (34) C 14 s( 2.70%)p 6.31( 17.00%)d19.43( 52.38%) f 9.61( 25.91%)g 0.75( 2.01%) 909. (0.00001) RY (35) C 14 s( 11.73%)p 2.36( 27.63%)d 3.24( 38.04%) f 1.15( 13.48%)g 0.78( 9.12%) 910. (0.00001) RY (36) C 14 s( 21.29%)p 0.65( 13.92%)d 2.16( 45.89%) f 0.87( 18.61%)g 0.01( 0.29%) 911. (0.00000) RY (37) C 14 s( 81.63%)p 0.00( 0.06%)d 0.08( 6.25%) f 0.07( 5.98%)g 0.07( 6.08%) 912. (0.00000) RY (38) C 14 s( 5.29%)p 0.23( 1.21%)d 0.96( 5.06%) f 6.74( 35.68%)g 9.97( 52.76%) 913. (0.00000) RY (39) C 14 s( 1.86%)p 0.36( 0.66%)d 1.79( 3.33%) f29.92( 55.51%)g20.83( 38.65%) 914. (0.00000) RY (40) C 14 s( 1.22%)p 0.38( 0.47%)d 8.68( 10.61%) f30.18( 36.87%)g41.61( 50.84%) 915. (0.00000) RY (41) C 14 s( 0.13%)p 4.71( 0.60%)d99.99( 13.02%) f99.99( 46.60%)g99.99( 39.65%) 916. (0.00000) RY (42) C 14 s( 4.56%)p 0.31( 1.40%)d 1.56( 7.13%) f13.85( 63.20%)g 5.19( 23.70%) 917. (0.00000) RY (43) C 14 s( 0.75%)p 0.50( 0.38%)d17.66( 13.25%) f53.30( 39.99%)g60.83( 45.64%) 918. (0.00000) RY (44) C 14 s( 5.96%)p 0.46( 2.71%)d 2.61( 15.57%) f 3.59( 21.35%)g 9.13( 54.40%) 919. (0.00000) RY (45) C 14 s( 2.90%)p 0.80( 2.34%)d11.90( 34.57%) f 8.56( 24.86%)g12.17( 35.34%) 920. (0.00000) RY (46) C 14 s( 9.69%)p 0.42( 4.04%)d 3.23( 31.32%) f 3.92( 37.97%)g 1.75( 16.99%) 921. (0.00000) RY (47) C 14 s( 10.37%)p 0.51( 5.34%)d 3.30( 34.26%) f 1.02( 10.53%)g 3.81( 39.50%) 922. (0.00000) RY (48) C 14 s( 9.14%)p 0.05( 0.46%)d 1.43( 13.05%) f 4.03( 36.80%)g 4.44( 40.54%) 923. (0.00000) RY (49) C 14 s( 13.14%)p 0.11( 1.45%)d 1.20( 15.80%) f 3.80( 49.95%)g 1.50( 19.67%) 924. (0.00000) RY (50) C 14 s( 14.51%)p 0.48( 7.02%)d 1.26( 18.23%) f 1.80( 26.13%)g 2.35( 34.12%) 925. (0.00000) RY (51) C 14 s( 9.59%)p 0.08( 0.77%)d 6.20( 59.45%) f 1.90( 18.24%)g 1.24( 11.94%) 926. (0.00000) RY (52) C 14 s( 16.66%)p 0.11( 1.79%)d 1.36( 22.74%) f 2.14( 35.65%)g 1.39( 23.16%) 927. (0.00237) RY ( 1) C 15 s( 16.36%)p 4.46( 72.90%)d 0.59( 9.57%) f 0.07( 1.10%)g 0.00( 0.07%) 0.0000 -0.0096 0.4021 -0.0398 -0.0094 0.0124 0.0002 0.0044 0.5279 -0.0361 -0.0040 -0.0066 0.4789 -0.0194 0.0190 -0.0194 0.4669 -0.0148 -0.0155 -0.0161 0.0695 -0.0017 0.0637 -0.0821 0.0033 -0.0689 0.0153 0.0058 0.1410 -0.0524 -0.0002 0.1631 -0.1600 0.0042 -0.0287 -0.0132 -0.0345 -0.0133 -0.0353 0.0079 -0.0658 0.0027 0.0020 -0.0008 -0.0184 0.0013 -0.0442 0.0258 -0.0005 -0.0155 0.0114 -0.0013 0.0173 0.0044 0.0017 0.0007 -0.0005 928. (0.00190) RY ( 2) C 15 s( 0.78%)p99.99( 94.68%)d 2.87( 2.24%) f 2.89( 2.26%)g 0.04( 0.03%) 0.0000 -0.0036 0.0880 -0.0052 -0.0033 0.0046 0.0002 -0.0405 -0.7793 -0.0361 -0.0219 0.0019 0.1894 0.0005 0.0091 0.0099 0.5460 0.0436 0.0085 -0.0359 -0.0597 0.0149 0.0421 -0.0751 -0.0063 -0.0361 0.0393 -0.0023 0.0477 -0.0394 0.0012 0.0477 -0.0289 0.0119 -0.0924 0.0129 0.0221 -0.0097 -0.0181 0.0096 0.0712 -0.0239 -0.0073 -0.0034 -0.0811 0.0210 -0.0129 0.0008 -0.0066 -0.0056 0.0074 0.0097 0.0026 -0.0047 -0.0038 -0.0054 0.0031 929. (0.00160) RY ( 3) C 15 s( 21.91%)p 2.10( 45.96%)d 1.38( 30.27%) f 0.08( 1.74%)g 0.01( 0.12%) 0.0000 0.0144 0.4648 0.0530 -0.0039 -0.0093 -0.0005 0.0036 -0.2368 0.0512 0.0001 -0.0321 0.3066 -0.0140 0.0060 0.0179 -0.5464 0.0821 0.0101 -0.0563 0.0545 -0.0025 -0.1006 0.2361 0.0072 -0.1394 -0.0083 -0.0070 0.3490 -0.2653 0.0166 0.0724 0.1136 0.0203 -0.0180 0.0113 0.0246 0.0113 -0.0918 0.0112 -0.0373 0.0076 -0.0675 0.0078 -0.0286 0.0067 -0.0221 0.0150 -0.0108 0.0245 0.0015 -0.0076 0.0016 -0.0202 0.0026 0.0012 0.0036 930. (0.00047) RY ( 4) C 15 s( 5.88%)p 4.37( 25.69%)d11.22( 66.01%) f 0.38( 2.25%)g 0.03( 0.17%) 0.0000 -0.0081 0.2414 -0.0132 -0.0005 -0.0171 0.0008 -0.0023 0.0616 0.4004 0.1032 0.0060 -0.2489 0.0824 -0.0418 -0.0047 0.0089 0.1070 0.0040 -0.1864 -0.6701 -0.0260 0.2335 -0.1504 0.0480 0.1685 0.1934 0.0342 0.0685 -0.1068 0.0288 0.1006 0.0332 -0.0328 0.0358 -0.0011 0.0414 -0.0121 0.0025 0.0499 0.0051 -0.0156 -0.0282 -0.0678 -0.0199 -0.0282 -0.0973 -0.0238 0.0114 -0.0158 0.0017 -0.0008 0.0294 -0.0058 -0.0167 -0.0089 0.0052 931. (0.00043) RY ( 5) C 15 s( 14.61%)p 2.34( 34.16%)d 3.08( 45.03%) f 0.40( 5.87%)g 0.02( 0.32%) 0.0000 0.0019 0.3590 -0.1291 0.0233 -0.0058 0.0013 -0.0012 -0.0591 -0.0623 -0.0594 -0.0271 -0.4428 0.3566 0.0071 0.0032 0.0240 0.0778 0.0076 0.2192 0.3900 0.0485 0.1676 -0.0239 -0.0366 0.3098 -0.1683 0.0686 0.0954 -0.0001 0.0187 0.2377 -0.1492 0.0250 0.0579 -0.0148 0.1425 -0.0157 0.0204 -0.0083 0.0310 -0.0059 0.0998 0.0360 -0.0347 0.0206 -0.1240 0.0697 0.0024 0.0206 0.0237 0.0262 0.0344 0.0105 0.0005 0.0013 -0.0162 932. (0.00025) RY ( 6) C 15 s( 0.29%)p40.86( 11.74%)d86.22( 24.77%) f99.99( 61.57%)g 5.70( 1.64%) 0.0000 -0.0059 0.0109 0.0514 -0.0017 -0.0088 -0.0008 0.0044 0.1212 0.0241 -0.1940 0.0057 -0.0556 -0.1257 -0.0198 -0.0093 -0.0751 0.1688 0.1044 -0.1118 0.1253 -0.0224 0.2189 -0.2979 -0.0717 -0.1593 -0.0820 0.0032 -0.0071 -0.0437 -0.0597 -0.0494 0.1839 0.0575 -0.4685 0.1236 0.2457 -0.0771 -0.0731 -0.0128 0.4628 -0.1553 -0.0340 0.0075 -0.2265 0.0805 0.1070 -0.0182 -0.1067 -0.0160 -0.0081 0.0616 -0.0164 0.0212 -0.0114 -0.0034 0.0050 933. (0.00024) RY ( 7) C 15 s( 2.94%)p 6.61( 19.43%)d21.66( 63.66%) f 4.38( 12.88%)g 0.37( 1.10%) 0.0000 -0.0169 0.1122 0.1273 0.0086 -0.0148 0.0001 -0.0142 -0.0883 0.1755 0.1099 0.0157 -0.1388 -0.2375 -0.0844 -0.0133 -0.0599 0.2350 0.0370 -0.2016 0.1613 0.0039 0.2751 -0.0983 0.0153 -0.4799 -0.2263 -0.0123 -0.1477 0.2986 -0.0180 0.1958 -0.2287 -0.0263 0.2149 -0.0997 -0.0655 -0.0099 0.0027 -0.0588 -0.1927 0.0330 -0.1451 0.0258 0.0515 -0.0234 0.0392 -0.0093 0.0283 -0.0803 -0.0136 -0.0419 -0.0267 0.0223 -0.0082 -0.0113 -0.0196 934. (0.00014) RY ( 8) C 15 s( 20.11%)p 2.13( 42.89%)d 1.54( 30.94%) f 0.29( 5.74%)g 0.02( 0.32%) 0.0000 -0.0030 0.4314 -0.1081 0.0489 -0.0293 0.0028 0.0045 0.0042 -0.5142 0.0267 0.0083 -0.2705 -0.2118 0.0033 0.0009 0.0221 -0.2123 0.0005 -0.2646 -0.0824 -0.0400 -0.1043 0.0948 -0.0452 -0.1173 0.2500 -0.0313 -0.3331 0.0271 0.0120 -0.0337 0.1297 -0.0458 0.0454 -0.0075 0.1467 -0.0115 0.0144 0.0115 -0.0447 0.0038 0.0994 -0.0331 -0.1017 0.0101 0.0985 -0.0132 0.0360 0.0220 -0.0104 0.0022 -0.0019 0.0153 0.0034 -0.0327 -0.0005 935. (0.00009) RY ( 9) C 15 s( 2.69%)p18.48( 49.63%)d12.82( 34.43%) f 4.68( 12.56%)g 0.26( 0.69%) 936. (0.00007) RY (10) C 15 s( 0.76%)p46.40( 35.10%)d57.95( 43.84%) f25.78( 19.50%)g 1.06( 0.80%) 937. (0.00005) RY (11) C 15 s( 7.97%)p 2.70( 21.52%)d 4.49( 35.80%) f 4.25( 33.87%)g 0.10( 0.84%) 938. (0.00003) RY (12) C 15 s( 2.51%)p 8.64( 21.68%)d20.39( 51.15%) f 8.57( 21.51%)g 1.26( 3.16%) 939. (0.00003) RY (13) C 15 s( 12.06%)p 0.76( 9.20%)d 4.87( 58.78%) f 1.49( 17.98%)g 0.16( 1.97%) 940. (0.00002) RY (14) C 15 s( 22.33%)p 1.19( 26.61%)d 1.58( 35.28%) f 0.54( 11.99%)g 0.17( 3.78%) 941. (0.00001) RY (15) C 15 s( 10.08%)p 0.10( 1.02%)d 4.40( 44.37%) f 3.37( 33.96%)g 1.05( 10.57%) 942. (0.00001) RY (16) C 15 s( 6.65%)p 1.45( 9.61%)d 5.14( 34.19%) f 7.21( 47.95%)g 0.24( 1.60%) 943. (0.00001) RY (17) C 15 s( 23.15%)p 0.58( 13.48%)d 0.47( 10.98%) f 2.04( 47.21%)g 0.22( 5.18%) 944. (0.00001) RY (18) C 15 s( 4.33%)p 6.46( 27.95%)d 9.98( 43.21%) f 5.48( 23.71%)g 0.18( 0.80%) 945. (0.00000) RY (19) C 15 s( 14.63%)p 1.42( 20.72%)d 3.23( 47.19%) f 0.86( 12.62%)g 0.33( 4.83%) 946. (0.00000) RY (20) C 15 s( 21.22%)p 0.39( 8.33%)d 0.85( 18.05%) f 0.28( 5.93%)g 2.19( 46.48%) 947. (0.00000) RY (21) C 15 s( 11.40%)p 0.30( 3.44%)d 0.85( 9.69%) f 2.15( 24.48%)g 4.47( 50.99%) 948. (0.00000) RY (22) C 15 s( 5.44%)p 1.57( 8.53%)d 8.22( 44.75%) f 5.15( 28.02%)g 2.43( 13.25%) 949. (0.00000) RY (23) C 15 s( 5.22%)p 2.11( 11.02%)d 6.89( 35.96%) f 2.38( 12.42%)g 6.78( 35.39%) 950. (0.00000) RY (24) C 15 s( 24.52%)p 0.65( 15.89%)d 0.64( 15.74%) f 0.70( 17.16%)g 1.09( 26.69%) 951. (0.00000) RY (25) C 15 s( 11.80%)p 3.12( 36.87%)d 1.07( 12.60%) f 1.27( 14.93%)g 2.02( 23.80%) 952. (0.00000) RY (26) C 15 s( 7.12%)p 3.63( 25.81%)d 3.80( 27.06%) f 2.55( 18.16%)g 3.07( 21.86%) 953. (0.00000) RY (27) C 15 s( 0.87%)p 9.69( 8.43%)d54.15( 47.08%) f38.29( 33.29%)g11.89( 10.34%) 954. (0.00000) RY (28) C 15 s( 4.88%)p 3.28( 16.02%)d 8.56( 41.78%) f 4.80( 23.40%)g 2.85( 13.92%) 955. (0.00000) RY (29) C 15 s( 6.27%)p 6.09( 38.18%)d 5.24( 32.83%) f 2.17( 13.60%)g 1.46( 9.13%) 956. (0.00000) RY (30) C 15 s( 3.15%)p 3.44( 10.84%)d11.00( 34.65%) f13.15( 41.43%)g 3.15( 9.93%) 957. (0.00000) RY (31) C 15 s( 7.23%)p 2.04( 14.75%)d 6.50( 47.05%) f 3.32( 24.04%)g 0.96( 6.93%) 958. (0.00000) RY (32) C 15 s( 4.82%)p 3.12( 15.02%)d 8.01( 38.61%) f 7.26( 34.97%)g 1.37( 6.58%) 959. (0.00000) RY (33) C 15 s( 8.20%)p 1.98( 16.21%)d 1.48( 12.16%) f 6.55( 53.72%)g 1.18( 9.71%) 960. (0.00000) RY (34) C 15 s( 1.69%)p22.97( 38.91%)d15.99( 27.09%) f17.28( 29.28%)g 1.79( 3.03%) 961. (0.00000) RY (35) C 15 s( 5.48%)p 1.87( 10.23%)d 5.40( 29.60%) f 9.05( 49.55%)g 0.94( 5.14%) 962. (0.00000) RY (36) C 15 s( 1.53%)p10.09( 15.43%)d23.66( 36.20%) f23.69( 36.23%)g 6.93( 10.60%) 963. (0.00000) RY (37) C 15 s( 18.81%)p 0.03( 0.58%)d 0.43( 8.07%) f 1.93( 36.27%)g 1.93( 36.26%) 964. (0.00000) RY (38) C 15 s( 17.06%)p 0.14( 2.41%)d 0.24( 4.08%) f 1.27( 21.65%)g 3.21( 54.80%) 965. (0.00000) RY (39) C 15 s( 46.40%)p 0.03( 1.40%)d 0.21( 9.86%) f 0.47( 22.00%)g 0.44( 20.33%) 966. (0.00000) RY (40) C 15 s( 5.62%)p 0.49( 2.78%)d 2.06( 11.58%) f 7.82( 43.96%)g 6.41( 36.06%) 967. (0.00000) RY (41) C 15 s( 8.31%)p 0.17( 1.41%)d 3.52( 29.22%) f 1.91( 15.87%)g 5.44( 45.19%) 968. (0.00000) RY (42) C 15 s( 10.33%)p 0.16( 1.68%)d 0.72( 7.45%) f 6.57( 67.86%)g 1.23( 12.68%) 969. (0.00000) RY (43) C 15 s( 7.45%)p 0.08( 0.59%)d 1.91( 14.25%) f 6.45( 48.06%)g 3.98( 29.65%) 970. (0.00000) RY (44) C 15 s( 2.89%)p 0.62( 1.79%)d 5.25( 15.14%) f 9.94( 28.68%)g17.84( 51.50%) 971. (0.00000) RY (45) C 15 s( 3.71%)p 0.18( 0.68%)d 2.59( 9.61%) f12.26( 45.47%)g10.93( 40.53%) 972. (0.00000) RY (46) C 15 s( 12.16%)p 0.20( 2.46%)d 2.34( 28.45%) f 2.82( 34.26%)g 1.86( 22.67%) 973. (0.00000) RY (47) C 15 s( 12.79%)p 0.05( 0.70%)d 0.60( 7.66%) f 5.18( 66.30%)g 0.98( 12.55%) 974. (0.00000) RY (48) C 15 s( 4.55%)p 0.06( 0.25%)d 2.77( 12.60%) f 5.54( 25.21%)g12.60( 57.38%) 975. (0.00000) RY (49) C 15 s( 8.56%)p 0.22( 1.86%)d 2.42( 20.70%) f 3.37( 28.84%)g 4.68( 40.04%) 976. (0.00000) RY (50) C 15 s( 0.25%)p 1.68( 0.42%)d99.99( 43.35%) f93.69( 23.56%)g99.99( 32.41%) 977. (0.00000) RY (51) C 15 s( 2.48%)p 1.17( 2.89%)d 4.44( 11.01%) f13.09( 32.51%)g20.58( 51.10%) 978. (0.00000) RY (52) C 15 s( 17.97%)p 0.05( 0.87%)d 2.43( 43.74%) f 1.24( 22.37%)g 0.84( 15.04%) 979. (0.00041) RY ( 1) H 16 s( 86.14%)p 0.13( 11.49%)d 0.03( 2.31%) f 0.00( 0.06%) -0.0056 0.9281 -0.0101 0.0031 0.1661 0.0172 0.0392 0.0082 0.0154 -0.0416 -0.2767 0.0781 0.0279 -0.0541 -0.0079 0.1139 -0.0234 -0.0548 0.0107 -0.0258 0.0103 -0.0521 -0.0028 0.0030 0.0063 -0.0072 -0.0118 0.0170 0.0061 -0.0031 980. (0.00034) RY ( 2) H 16 s( 1.02%)p73.35( 74.76%)d22.65( 23.09%) f 1.11( 1.13%) -0.0006 0.1004 -0.0088 0.0050 -0.3705 -0.0328 0.0543 -0.7676 -0.0950 0.0878 -0.0054 0.0195 0.0023 0.2707 -0.0185 0.0008 0.0011 -0.0003 0.0100 0.3954 -0.0272 -0.0075 -0.0002 0.0007 0.0185 0.0292 0.0076 0.0080 -0.0991 -0.0126 981. (0.00020) RY ( 3) H 16 s( 7.42%)p 8.44( 62.58%)d 3.68( 27.29%) f 0.36( 2.70%) 0.0006 0.2700 -0.0290 -0.0210 0.2078 -0.0374 0.0010 -0.0838 0.0245 -0.0016 0.7470 0.0008 -0.1251 -0.0029 -0.0264 -0.4329 0.0357 0.2293 -0.0192 -0.0146 0.0172 0.1724 -0.0197 -0.0814 -0.0387 0.0196 0.0770 -0.1121 0.0019 0.0050 982. (0.00010) RY ( 4) H 16 s( 85.03%)p 0.08( 6.44%)d 0.10( 8.16%) f 0.00( 0.36%) 0.0053 0.0606 0.9201 -0.0010 -0.1912 -0.0717 0.0221 0.0927 0.0400 -0.0089 0.1029 -0.0120 0.0351 -0.1861 0.0112 -0.0219 0.0024 0.0116 -0.0019 0.1340 -0.0123 -0.1679 0.0000 -0.0108 0.0235 -0.0139 0.0023 -0.0009 -0.0076 0.0515 983. (0.00003) RY ( 5) H 16 s( 1.77%)p37.62( 66.75%)d16.79( 29.79%) f 0.95( 1.69%) 984. (0.00001) RY ( 6) H 16 s( 1.82%)p14.39( 26.23%)d37.95( 69.17%) f 1.53( 2.79%) 985. (0.00000) RY ( 7) H 16 s( 5.57%)p11.36( 63.24%)d 5.02( 27.95%) f 0.58( 3.24%) 986. (0.00000) RY ( 8) H 16 s( 0.33%)p99.99( 40.49%)d99.99( 55.52%) f11.13( 3.66%) 987. (0.00000) RY ( 9) H 16 s( 4.86%)p 6.88( 33.45%)d12.40( 60.27%) f 0.29( 1.42%) 988. (0.00000) RY (10) H 16 s( 0.04%)p99.99( 3.95%)d99.99( 31.56%) f99.99( 64.46%) 989. (0.00000) RY (11) H 16 s( 0.42%)p42.76( 17.85%)d85.58( 35.71%) f99.99( 46.02%) 990. (0.00000) RY (12) H 16 s( 0.43%)p14.35( 6.15%)d52.88( 22.65%) f99.99( 70.78%) 991. (0.00000) RY (13) H 16 s( 0.22%)p52.05( 11.52%)d99.99( 26.65%) f99.99( 61.61%) 992. (0.00000) RY (14) H 16 s( 0.11%)p99.99( 12.73%)d99.99( 22.14%) f99.99( 65.02%) 993. (0.00000) RY (15) H 16 s( 0.53%)p90.78( 47.78%)d47.17( 24.83%) f51.06( 26.87%) 994. (0.00000) RY (16) H 16 s( 8.99%)p 4.87( 43.77%)d 0.43( 3.90%) f 4.82( 43.34%) 995. (0.00000) RY (17) H 16 s( 8.55%)p 4.86( 41.55%)d 2.19( 18.71%) f 3.65( 31.19%) 996. (0.00000) RY (18) H 16 s( 26.40%)p 1.42( 37.39%)d 0.43( 11.23%) f 0.95( 24.98%) 997. (0.00000) RY (19) H 16 s( 17.63%)p 2.06( 36.34%)d 0.98( 17.35%) f 1.63( 28.67%) 998. (0.00000) RY (20) H 16 s( 16.54%)p 2.09( 34.56%)d 2.37( 39.19%) f 0.59( 9.70%) 999. (0.00000) RY (21) H 16 s( 4.31%)p14.35( 61.80%)d 5.10( 21.95%) f 2.78( 11.95%) 1000. (0.00000) RY (22) H 16 s( 3.20%)p 7.03( 22.49%)d17.75( 56.82%) f 5.47( 17.49%) 1001. (0.00000) RY (23) H 16 s( 1.57%)p44.43( 69.76%)d16.97( 26.64%) f 1.29( 2.03%) 1002. (0.00000) RY (24) H 16 s( 15.65%)p 2.14( 33.44%)d 2.60( 40.66%) f 0.66( 10.26%) 1003. (0.00000) RY (25) H 16 s( 0.30%)p25.59( 7.56%)d99.99( 71.96%) f68.36( 20.19%) 1004. (0.00000) RY (26) H 16 s( 0.23%)p13.98( 3.23%)d99.99( 88.34%) f35.49( 8.20%) 1005. (0.00000) RY (27) H 16 s( 0.91%)p 5.71( 5.18%)d61.27( 55.56%) f42.30( 38.36%) 1006. (0.00000) RY (28) H 16 s( 0.06%)p99.99( 12.71%)d99.99( 45.15%) f99.99( 42.07%) 1007. (0.00000) RY (29) H 16 s( 0.10%)p46.42( 4.70%)d99.99( 35.45%) f99.99( 59.75%) 1008. (0.00033) RY ( 1) H 17 s( 1.82%)p42.27( 77.13%)d10.94( 19.96%) f 0.59( 1.08%) -0.0033 0.1303 0.0247 0.0252 0.8585 0.0964 -0.0874 -0.0476 0.0053 -0.0029 -0.1228 0.0016 -0.0055 -0.3380 0.0370 -0.2367 0.0162 0.0557 0.0004 -0.1299 -0.0021 0.0882 0.0005 0.0005 0.0114 -0.0162 0.0284 0.0668 -0.0545 0.0465 1009. (0.00023) RY ( 2) H 17 s( 4.98%)p13.90( 69.24%)d 4.81( 23.95%) f 0.37( 1.83%) 0.0041 0.1686 0.1457 0.0116 0.0611 -0.0137 0.0142 -0.4517 -0.0042 0.0323 0.6855 -0.0292 -0.1113 0.0337 0.0030 -0.0185 0.0121 -0.2441 0.0342 -0.2607 0.0119 -0.3277 0.0404 0.0280 0.0226 0.1125 0.0056 -0.0011 -0.0029 0.0656 1010. (0.00017) RY ( 3) H 17 s( 89.94%)p 0.07( 6.47%)d 0.04( 3.34%) f 0.00( 0.25%) -0.0031 0.9443 -0.0873 -0.0108 -0.1046 0.0192 -0.0080 0.1894 0.1016 -0.0240 -0.0546 0.0477 -0.0364 -0.0027 -0.0041 0.0410 0.0038 -0.1243 -0.0047 0.1223 0.0016 0.0358 0.0006 -0.0162 0.0025 -0.0135 -0.0293 -0.0194 0.0043 -0.0274 1011. (0.00007) RY ( 4) H 17 s( 78.74%)p 0.17( 13.63%)d 0.09( 7.01%) f 0.01( 0.61%) 1012. (0.00004) RY ( 5) H 17 s( 3.36%)p19.68( 66.18%)d 8.35( 28.07%) f 0.71( 2.39%) 1013. (0.00001) RY ( 6) H 17 s( 8.09%)p 7.22( 58.42%)d 3.96( 32.05%) f 0.18( 1.44%) 1014. (0.00001) RY ( 7) H 17 s( 7.00%)p 9.08( 63.49%)d 3.97( 27.79%) f 0.25( 1.73%) 1015. (0.00001) RY ( 8) H 17 s( 4.24%)p 7.93( 33.60%)d14.11( 59.80%) f 0.56( 2.36%) 1016. (0.00000) RY ( 9) H 17 s( 0.23%)p99.99( 23.97%)d99.99( 23.84%) f99.99( 51.96%) 1017. (0.00000) RY (10) H 17 s( 0.09%)p72.22( 6.21%)d99.99( 17.22%) f99.99( 76.48%) 1018. (0.00000) RY (11) H 17 s( 0.70%)p39.20( 27.64%)d38.08( 26.84%) f63.57( 44.81%) 1019. (0.00000) RY (12) H 17 s( 0.26%)p60.96( 15.80%)d90.18( 23.37%) f99.99( 60.57%) 1020. (0.00000) RY (13) H 17 s( 4.95%)p 7.08( 35.07%)d 4.05( 20.06%) f 8.05( 39.91%) 1021. (0.00000) RY (14) H 17 s( 0.26%)p99.99( 29.13%)d98.56( 25.21%) f99.99( 45.40%) 1022. (0.00000) RY (15) H 17 s( 12.45%)p 3.24( 40.33%)d 1.31( 16.36%) f 2.48( 30.86%) 1023. (0.00000) RY (16) H 17 s( 2.94%)p17.99( 52.94%)d 3.92( 11.54%) f11.07( 32.58%) 1024. (0.00000) RY (17) H 17 s( 24.49%)p 1.25( 30.71%)d 0.82( 20.04%) f 1.01( 24.75%) 1025. (0.00000) RY (18) H 17 s( 3.75%)p12.81( 48.04%)d 9.47( 35.52%) f 3.38( 12.68%) 1026. (0.00000) RY (19) H 17 s( 6.27%)p 3.72( 23.29%)d 5.22( 32.73%) f 6.02( 37.71%) 1027. (0.00000) RY (20) H 17 s( 5.19%)p 3.50( 18.17%)d14.43( 74.82%) f 0.35( 1.82%) 1028. (0.00000) RY (21) H 17 s( 12.94%)p 3.47( 44.84%)d 3.13( 40.54%) f 0.13( 1.68%) 1029. (0.00000) RY (22) H 17 s( 23.17%)p 1.02( 23.72%)d 2.07( 48.02%) f 0.22( 5.10%) 1030. (0.00000) RY (23) H 17 s( 3.72%)p14.86( 55.20%)d 9.65( 35.84%) f 1.41( 5.25%) 1031. (0.00000) RY (24) H 17 s( 0.09%)p99.99( 11.96%)d99.99( 82.64%) f61.40( 5.31%) 1032. (0.00000) RY (25) H 17 s( 0.00%)p 1.00( 1.69%)d36.51( 61.69%) f21.67( 36.62%) 1033. (0.00000) RY (26) H 17 s( 0.09%)p26.15( 2.43%)d99.99( 49.02%) f99.99( 48.46%) 1034. (0.00000) RY (27) H 17 s( 0.07%)p99.99( 18.11%)d99.99( 53.61%) f99.99( 28.20%) 1035. (0.00000) RY (28) H 17 s( 0.14%)p 8.72( 1.22%)d99.99( 25.40%) f99.99( 73.24%) 1036. (0.00000) RY (29) H 17 s( 0.17%)p 7.34( 1.24%)d99.99( 73.69%) f99.99( 24.90%) 1037. (0.00034) RY ( 1) H 18 s( 5.28%)p14.36( 75.89%)d 3.41( 18.02%) f 0.15( 0.81%) 0.0019 0.2205 0.0560 -0.0326 -0.4601 -0.0462 0.0357 0.6699 0.1139 -0.0595 0.2778 0.0373 0.0019 0.0432 -0.0097 0.1819 -0.0126 -0.1393 0.0083 -0.3308 0.0263 -0.1241 0.0055 0.0080 -0.0275 -0.0084 0.0641 -0.0071 -0.0388 -0.0388 1038. (0.00027) RY ( 2) H 18 s( 91.54%)p 0.05( 4.58%)d 0.04( 3.67%) f 0.00( 0.22%) -0.0025 0.9566 -0.0154 0.0105 0.0886 0.0441 -0.0504 -0.1699 0.0305 -0.0009 0.0396 -0.0310 0.0329 0.0740 0.0129 -0.1332 -0.0072 0.0288 -0.0065 0.1106 -0.0107 -0.0029 -0.0002 0.0095 0.0009 -0.0019 -0.0318 -0.0158 0.0047 0.0280 1039. (0.00020) RY ( 3) H 18 s( 0.84%)p81.04( 67.68%)d35.01( 29.24%) f 2.70( 2.25%) -0.0013 0.0871 -0.0036 -0.0273 -0.4483 0.0354 0.0618 -0.0649 -0.0176 0.0189 -0.6708 0.0421 0.1185 -0.2709 0.0125 -0.1645 0.0180 -0.1975 0.0332 -0.1814 0.0118 0.3415 -0.0417 -0.0279 0.0847 0.0896 0.0210 -0.0034 0.0033 -0.0778 1040. (0.00007) RY ( 4) H 18 s( 66.50%)p 0.39( 26.11%)d 0.11( 7.01%) f 0.01( 0.38%) 1041. (0.00003) RY ( 5) H 18 s( 1.13%)p63.87( 71.93%)d22.62( 25.47%) f 1.31( 1.48%) 1042. (0.00001) RY ( 6) H 18 s( 14.20%)p 3.70( 52.55%)d 2.05( 29.13%) f 0.29( 4.12%) 1043. (0.00001) RY ( 7) H 18 s( 10.60%)p 3.20( 33.98%)d 4.80( 50.90%) f 0.43( 4.52%) 1044. (0.00001) RY ( 8) H 18 s( 15.35%)p 4.26( 65.33%)d 1.17( 17.95%) f 0.09( 1.37%) 1045. (0.00000) RY ( 9) H 18 s( 39.97%)p 0.43( 17.08%)d 0.74( 29.59%) f 0.33( 13.36%) 1046. (0.00000) RY (10) H 18 s( 0.04%)p99.99( 9.01%)d99.99( 31.20%) f99.99( 59.76%) 1047. (0.00000) RY (11) H 18 s( 0.37%)p19.69( 7.36%)d74.11( 27.68%) f99.99( 64.59%) 1048. (0.00000) RY (12) H 18 s( 3.23%)p 8.86( 28.59%)d 9.29( 29.97%) f11.84( 38.22%) 1049. (0.00000) RY (13) H 18 s( 0.49%)p69.86( 34.26%)d76.91( 37.72%) f56.13( 27.53%) 1050. (0.00000) RY (14) H 18 s( 2.22%)p 8.97( 19.89%)d11.13( 24.68%) f24.00( 53.22%) 1051. (0.00000) RY (15) H 18 s( 0.94%)p41.24( 38.83%)d23.14( 21.78%) f40.82( 38.44%) 1052. (0.00000) RY (16) H 18 s( 1.90%)p30.79( 58.36%)d 9.67( 18.33%) f11.30( 21.42%) 1053. (0.00000) RY (17) H 18 s( 12.45%)p 2.31( 28.82%)d 1.56( 19.44%) f 3.16( 39.29%) 1054. (0.00000) RY (18) H 18 s( 4.23%)p10.05( 42.53%)d 4.83( 20.42%) f 7.76( 32.81%) 1055. (0.00000) RY (19) H 18 s( 0.79%)p42.79( 33.87%)d76.99( 60.95%) f 5.54( 4.39%) 1056. (0.00000) RY (20) H 18 s( 0.66%)p81.21( 53.83%)d46.59( 30.88%) f22.06( 14.62%) 1057. (0.00000) RY (21) H 18 s( 8.31%)p 3.38( 28.14%)d 7.15( 59.44%) f 0.49( 4.11%) 1058. (0.00000) RY (22) H 18 s( 1.82%)p27.68( 50.44%)d24.67( 44.95%) f 1.53( 2.79%) 1059. (0.00000) RY (23) H 18 s( 15.82%)p 1.07( 16.97%)d 4.07( 64.33%) f 0.18( 2.87%) 1060. (0.00000) RY (24) H 18 s( 0.31%)p32.93( 10.21%)d99.99( 84.14%) f17.26( 5.35%) 1061. (0.00000) RY (25) H 18 s( 0.10%)p15.39( 1.50%)d99.99( 54.47%) f99.99( 43.93%) 1062. (0.00000) RY (26) H 18 s( 0.08%)p56.85( 4.48%)d99.99( 72.38%) f99.99( 23.06%) 1063. (0.00000) RY (27) H 18 s( 0.14%)p27.82( 3.96%)d99.99( 30.18%) f99.99( 65.71%) 1064. (0.00000) RY (28) H 18 s( 0.26%)p17.00( 4.37%)d24.46( 6.29%) f99.99( 89.07%) 1065. (0.00000) RY (29) H 18 s( 0.56%)p16.61( 9.34%)d88.55( 49.78%) f71.71( 40.32%) 1066. (0.00040) RY ( 1) H 19 s( 89.59%)p 0.10( 8.60%)d 0.02( 1.77%) f 0.00( 0.04%) -0.0056 0.9464 -0.0119 0.0037 0.2452 -0.0325 0.0280 0.0668 -0.0841 -0.0485 0.0877 -0.0471 -0.0147 -0.0783 -0.0028 -0.0507 0.0145 0.0066 -0.0042 -0.0879 0.0233 -0.0205 -0.0074 -0.0083 -0.0040 -0.0023 0.0048 0.0081 0.0152 -0.0003 1067. (0.00034) RY ( 2) H 19 s( 0.12%)p99.99( 74.58%)d99.99( 24.03%) f10.98( 1.28%) 0.0005 0.0309 0.0143 0.0018 -0.2767 -0.0444 0.0393 -0.3112 -0.0218 0.0388 0.7420 0.0860 -0.0946 0.0535 -0.0074 -0.3397 0.0227 0.2557 -0.0126 0.2302 -0.0152 -0.0507 0.0083 -0.0575 0.0219 -0.0095 0.0250 -0.0710 -0.0552 0.0124 1068. (0.00019) RY ( 3) H 19 s( 4.61%)p13.62( 62.77%)d 6.41( 29.53%) f 0.67( 3.09%) 0.0006 0.2057 -0.0556 -0.0263 -0.1724 -0.0297 0.0589 -0.6771 0.0282 0.0976 -0.3479 0.0015 0.0619 0.2732 -0.0390 0.2889 -0.0149 -0.0282 0.0050 0.3659 -0.0217 0.0035 -0.0177 0.0664 0.0006 0.0363 -0.0608 0.0341 -0.1425 -0.0010 1069. (0.00010) RY ( 4) H 19 s( 85.09%)p 0.08( 6.96%)d 0.09( 7.58%) f 0.00( 0.37%) 0.0052 0.0709 0.9197 -0.0037 -0.2242 -0.0727 0.0063 0.0539 0.0725 -0.0331 -0.0678 0.0138 0.0037 -0.2006 0.0064 0.0595 -0.0101 -0.0533 -0.0005 0.1191 -0.0037 -0.1215 0.0079 0.0065 0.0299 -0.0189 -0.0216 0.0180 -0.0042 0.0399 1070. (0.00004) RY ( 5) H 19 s( 1.58%)p41.57( 65.70%)d19.76( 31.23%) f 0.94( 1.49%) 1071. (0.00001) RY ( 6) H 19 s( 3.69%)p 8.38( 30.88%)d16.72( 61.61%) f 1.04( 3.83%) 1072. (0.00000) RY ( 7) H 19 s( 3.06%)p12.73( 38.96%)d16.74( 51.24%) f 2.20( 6.74%) 1073. (0.00000) RY ( 8) H 19 s( 3.18%)p11.43( 36.41%)d18.06( 57.51%) f 0.91( 2.90%) 1074. (0.00000) RY ( 9) H 19 s( 3.77%)p12.99( 48.94%)d12.05( 45.38%) f 0.51( 1.91%) 1075. (0.00000) RY (10) H 19 s( 0.04%)p73.95( 3.04%)d99.99( 15.69%) f99.99( 81.23%) 1076. (0.00000) RY (11) H 19 s( 0.82%)p 6.01( 4.90%)d14.81( 12.08%) f99.99( 82.20%) 1077. (0.00000) RY (12) H 19 s( 0.30%)p 7.78( 2.32%)d99.99( 35.34%) f99.99( 62.05%) 1078. (0.00000) RY (13) H 19 s( 0.06%)p99.99( 34.53%)d99.99( 25.47%) f99.99( 39.95%) 1079. (0.00000) RY (14) H 19 s( 0.57%)p42.34( 24.30%)d44.51( 25.54%) f86.38( 49.58%) 1080. (0.00000) RY (15) H 19 s( 4.62%)p 6.92( 32.00%)d 5.00( 23.12%) f 8.71( 40.26%) 1081. (0.00000) RY (16) H 19 s( 2.36%)p30.09( 71.04%)d 5.61( 13.24%) f 5.66( 13.36%) 1082. (0.00000) RY (17) H 19 s( 14.76%)p 1.19( 17.58%)d 0.70( 10.38%) f 3.88( 57.28%) 1083. (0.00000) RY (18) H 19 s( 21.29%)p 1.53( 32.62%)d 0.87( 18.53%) f 1.29( 27.55%) 1084. (0.00000) RY (19) H 19 s( 11.48%)p 3.24( 37.25%)d 1.71( 19.62%) f 2.76( 31.65%) 1085. (0.00000) RY (20) H 19 s( 14.92%)p 2.90( 43.21%)d 2.26( 33.75%) f 0.54( 8.12%) 1086. (0.00000) RY (21) H 19 s( 8.85%)p 7.55( 66.87%)d 2.33( 20.64%) f 0.41( 3.64%) 1087. (0.00000) RY (22) H 19 s( 3.11%)p 8.27( 25.72%)d17.34( 53.90%) f 5.56( 17.27%) 1088. (0.00000) RY (23) H 19 s( 8.11%)p 9.20( 74.65%)d 1.92( 15.56%) f 0.21( 1.68%) 1089. (0.00000) RY (24) H 19 s( 12.29%)p 2.05( 25.18%)d 3.99( 49.06%) f 1.10( 13.48%) 1090. (0.00000) RY (25) H 19 s( 0.10%)p99.99( 15.56%)d99.99( 62.41%) f99.99( 21.93%) 1091. (0.00000) RY (26) H 19 s( 0.01%)p 1.00( 4.93%)d14.91( 73.50%) f 4.37( 21.56%) 1092. (0.00000) RY (27) H 19 s( 0.01%)p99.99( 2.09%)d99.99( 77.64%) f99.99( 20.25%) 1093. (0.00000) RY (28) H 19 s( 1.36%)p 0.96( 1.32%)d38.88( 53.02%) f32.49( 44.30%) 1094. (0.00000) RY (29) H 19 s( 0.41%)p17.10( 6.95%)d99.99( 51.63%) f99.99( 41.01%) 1095. (0.00037) RY ( 1) H 20 s( 1.81%)p43.91( 79.50%)d 9.71( 17.58%) f 0.61( 1.11%) 0.0042 0.1303 0.0314 -0.0106 -0.5497 -0.0398 0.0364 0.3574 0.0612 -0.0422 -0.5929 -0.0612 0.0385 -0.0357 -0.0049 -0.0789 0.0078 -0.2344 0.0134 -0.2982 0.0203 0.1529 -0.0189 0.0157 0.0467 0.0378 0.0360 -0.0313 -0.0533 -0.0459 1096. (0.00025) RY ( 2) H 20 s( 3.34%)p22.18( 74.08%)d 6.18( 20.63%) f 0.58( 1.95%) -0.0023 0.1812 0.0225 -0.0076 -0.1066 0.0148 -0.0076 0.6511 -0.0151 -0.0794 0.5444 -0.0055 -0.0490 0.1829 -0.0355 0.2716 -0.0161 -0.0314 0.0042 -0.2069 0.0202 -0.2300 0.0225 -0.0263 -0.0736 -0.0435 0.0737 0.0097 -0.0770 -0.0021 1097. (0.00017) RY ( 3) H 20 s( 90.38%)p 0.05( 4.80%)d 0.05( 4.53%) f 0.00( 0.29%) -0.0011 0.9503 0.0245 0.0040 0.0797 0.0626 -0.0521 -0.1606 0.0549 -0.0278 -0.0259 -0.0665 0.0195 0.0819 0.0089 -0.0907 -0.0025 -0.0308 -0.0092 0.1709 0.0047 -0.0065 0.0024 0.0068 -0.0046 0.0066 -0.0342 -0.0181 0.0273 0.0229 1098. (0.00012) RY ( 4) H 20 s( 79.46%)p 0.22( 17.13%)d 0.04( 3.30%) f 0.00( 0.12%) 0.0107 -0.0643 0.8890 0.0038 0.3076 0.0931 0.0110 0.1115 0.0778 -0.0526 -0.1960 -0.0653 -0.0629 0.1255 -0.0185 -0.0144 0.0104 -0.0430 0.0036 -0.0053 -0.0038 -0.1208 0.0074 0.0029 -0.0143 -0.0151 -0.0111 -0.0169 -0.0055 0.0184 1099. (0.00004) RY ( 5) H 20 s( 3.15%)p19.26( 60.76%)d10.63( 33.51%) f 0.82( 2.57%) 1100. (0.00002) RY ( 6) H 20 s( 1.99%)p22.23( 44.31%)d25.50( 50.82%) f 1.44( 2.88%) 1101. (0.00001) RY ( 7) H 20 s( 13.21%)p 4.95( 65.35%)d 1.54( 20.28%) f 0.09( 1.17%) 1102. (0.00000) RY ( 8) H 20 s( 1.62%)p22.61( 36.61%)d36.87( 59.71%) f 1.27( 2.05%) 1103. (0.00000) RY ( 9) H 20 s( 1.03%)p16.05( 16.51%)d18.44( 18.96%) f61.73( 63.50%) 1104. (0.00000) RY (10) H 20 s( 0.03%)p99.99( 22.61%)d99.99( 18.44%) f99.99( 58.92%) 1105. (0.00000) RY (11) H 20 s( 0.16%)p99.99( 37.05%)d99.99( 28.19%) f99.99( 34.60%) 1106. (0.00000) RY (12) H 20 s( 1.00%)p26.07( 26.06%)d27.41( 27.40%) f45.57( 45.55%) 1107. (0.00000) RY (13) H 20 s( 15.03%)p 2.81( 42.26%)d 1.43( 21.51%) f 1.41( 21.19%) 1108. (0.00000) RY (14) H 20 s( 0.38%)p99.99( 43.61%)d55.76( 21.44%) f89.89( 34.56%) 1109. (0.00000) RY (15) H 20 s( 2.77%)p22.95( 63.57%)d 3.68( 10.18%) f 8.48( 23.48%) 1110. (0.00000) RY (16) H 20 s( 1.55%)p14.23( 22.05%)d27.56( 42.71%) f21.73( 33.68%) 1111. (0.00000) RY (17) H 20 s( 13.31%)p 3.08( 41.05%)d 1.24( 16.46%) f 2.19( 29.18%) 1112. (0.00000) RY (18) H 20 s( 16.17%)p 2.19( 35.44%)d 1.28( 20.65%) f 1.72( 27.74%) 1113. (0.00000) RY (19) H 20 s( 9.08%)p 2.98( 27.09%)d 6.44( 58.48%) f 0.59( 5.35%) 1114. (0.00000) RY (20) H 20 s( 1.05%)p26.99( 28.41%)d66.75( 70.26%) f 0.26( 0.27%) 1115. (0.00000) RY (21) H 20 s( 41.19%)p 0.68( 28.06%)d 0.52( 21.28%) f 0.23( 9.47%) 1116. (0.00000) RY (22) H 20 s( 2.21%)p20.39( 45.02%)d21.59( 47.65%) f 2.32( 5.13%) 1117. (0.00000) RY (23) H 20 s( 0.01%)p 1.00( 1.61%)d51.29( 82.83%) f 9.63( 15.55%) 1118. (0.00000) RY (24) H 20 s( 0.01%)p99.99( 4.10%)d99.99( 78.58%) f99.99( 17.31%) 1119. (0.00000) RY (25) H 20 s( 0.06%)p99.99( 15.06%)d99.99( 73.68%) f99.99( 11.21%) 1120. (0.00000) RY (26) H 20 s( 0.04%)p99.99( 5.10%)d99.99( 26.42%) f99.99( 68.44%) 1121. (0.00000) RY (27) H 20 s( 0.01%)p 1.00( 6.71%)d 5.76( 38.65%) f 8.13( 54.62%) 1122. (0.00000) RY (28) H 20 s( 0.00%)p 1.00( 3.18%)d10.99( 34.94%) f19.47( 61.88%) 1123. (0.00000) RY (29) H 20 s( 0.08%)p34.43( 2.77%)d99.99( 30.91%) f99.99( 66.23%) 1124. (0.00034) RY ( 1) H 21 s( 2.58%)p29.98( 77.44%)d 7.33( 18.94%) f 0.40( 1.04%) 0.0030 0.1567 0.0237 -0.0268 -0.8519 -0.1297 0.0700 -0.0241 0.0081 -0.0145 0.1522 0.0460 -0.0274 0.0038 -0.0078 -0.4008 0.0249 0.0198 0.0026 -0.0725 0.0073 0.1491 -0.0134 0.0466 -0.0846 0.0084 -0.0260 0.0054 -0.0165 0.0035 1125. (0.00019) RY ( 2) H 21 s( 21.99%)p 2.30( 50.62%)d 1.14( 25.16%) f 0.10( 2.23%) 0.0003 0.4668 -0.0331 0.0309 0.0254 -0.0179 -0.0164 -0.6834 0.0429 0.1153 -0.1371 0.0632 -0.0024 -0.0666 0.0125 0.0971 0.0079 -0.4760 0.0379 -0.0916 0.0044 -0.0200 0.0258 -0.0138 0.0224 -0.1369 -0.0220 -0.0479 -0.0083 -0.0002 1126. (0.00017) RY ( 3) H 21 s( 69.44%)p 0.21( 14.70%)d 0.22( 15.01%) f 0.01( 0.85%) -0.0003 0.8319 0.0473 -0.0104 0.1063 -0.0061 -0.0559 0.3117 -0.0984 -0.1202 0.0680 0.0709 -0.0406 0.0530 -0.0037 0.1467 -0.0112 0.2834 -0.0358 0.1594 0.0051 0.1363 -0.0019 0.0257 0.0321 0.0700 0.0263 0.0279 0.0123 -0.0165 1127. (0.00007) RY ( 4) H 21 s( 72.42%)p 0.28( 20.58%)d 0.09( 6.79%) f 0.00( 0.20%) 1128. (0.00002) RY ( 5) H 21 s( 2.29%)p33.33( 76.38%)d 8.50( 19.48%) f 0.81( 1.85%) 1129. (0.00001) RY ( 6) H 21 s( 11.02%)p 5.37( 59.11%)d 2.44( 26.84%) f 0.28( 3.03%) 1130. (0.00001) RY ( 7) H 21 s( 4.74%)p11.00( 52.11%)d 8.66( 41.03%) f 0.45( 2.13%) 1131. (0.00000) RY ( 8) H 21 s( 14.28%)p 4.15( 59.30%)d 1.50( 21.41%) f 0.35( 5.01%) 1132. (0.00000) RY ( 9) H 21 s( 22.22%)p 0.66( 14.61%)d 2.38( 52.86%) f 0.46( 10.31%) 1133. (0.00000) RY (10) H 21 s( 0.07%)p55.33( 4.08%)d99.99( 20.67%) f99.99( 75.17%) 1134. (0.00000) RY (11) H 21 s( 0.54%)p19.35( 10.47%)d90.04( 48.74%) f74.36( 40.25%) 1135. (0.00000) RY (12) H 21 s( 0.98%)p25.65( 25.26%)d33.45( 32.94%) f41.45( 40.82%) 1136. (0.00000) RY (13) H 21 s( 2.62%)p17.90( 46.98%)d 9.62( 25.24%) f 9.59( 25.16%) 1137. (0.00000) RY (14) H 21 s( 2.24%)p11.48( 25.74%)d 7.41( 16.61%) f24.71( 55.40%) 1138. (0.00000) RY (15) H 21 s( 2.76%)p12.07( 33.28%)d 9.54( 26.31%) f13.65( 37.65%) 1139. (0.00000) RY (16) H 21 s( 3.74%)p15.82( 59.18%)d 4.07( 15.23%) f 5.84( 21.85%) 1140. (0.00000) RY (17) H 21 s( 12.23%)p 3.14( 38.45%)d 1.84( 22.45%) f 2.20( 26.87%) 1141. (0.00000) RY (18) H 21 s( 2.42%)p12.25( 29.65%)d 3.81( 9.22%) f24.25( 58.71%) 1142. (0.00000) RY (19) H 21 s( 0.13%)p99.99( 38.33%)d99.99( 53.94%) f59.20( 7.61%) 1143. (0.00000) RY (20) H 21 s( 9.51%)p 2.36( 22.46%)d 6.31( 60.00%) f 0.84( 8.03%) 1144. (0.00000) RY (21) H 21 s( 11.67%)p 3.57( 41.67%)d 3.46( 40.41%) f 0.54( 6.24%) 1145. (0.00000) RY (22) H 21 s( 2.93%)p13.13( 38.48%)d19.46( 57.01%) f 0.54( 1.58%) 1146. (0.00000) RY (23) H 21 s( 26.31%)p 0.92( 24.30%)d 1.61( 42.43%) f 0.26( 6.96%) 1147. (0.00000) RY (24) H 21 s( 0.05%)p99.99( 4.91%)d99.99( 67.72%) f99.99( 27.32%) 1148. (0.00000) RY (25) H 21 s( 0.03%)p99.99( 5.59%)d99.99( 45.58%) f99.99( 48.80%) 1149. (0.00000) RY (26) H 21 s( 0.11%)p48.20( 5.34%)d99.99( 83.82%) f96.98( 10.74%) 1150. (0.00000) RY (27) H 21 s( 0.37%)p14.35( 5.38%)d54.65( 20.48%) f99.99( 73.77%) 1151. (0.00000) RY (28) H 21 s( 0.23%)p43.39( 9.85%)d99.99( 56.39%) f99.99( 33.54%) 1152. (0.00000) RY (29) H 21 s( 0.20%)p28.47( 5.62%)d99.99( 27.30%) f99.99( 66.88%) 1153. (0.00042) RY ( 1) H 22 s( 82.89%)p 0.17( 14.10%)d 0.03( 2.89%) f 0.00( 0.12%) -0.0047 0.9104 -0.0050 0.0024 0.0176 0.0280 0.0615 -0.2116 0.0710 -0.0090 0.2922 -0.0126 -0.0270 -0.0072 -0.0184 -0.1078 0.0122 0.0913 -0.0108 0.0891 -0.0150 0.0035 -0.0072 -0.0268 -0.0018 0.0058 -0.0010 -0.0184 -0.0081 0.0033 1154. (0.00034) RY ( 2) H 22 s( 3.93%)p18.50( 72.67%)d 5.66( 22.23%) f 0.30( 1.18%) -0.0006 0.1977 -0.0127 0.0072 -0.2114 -0.0193 0.0410 -0.3625 -0.0187 0.0337 -0.7286 -0.0989 0.0804 0.0869 -0.0075 0.3368 -0.0189 -0.2201 0.0167 0.2238 -0.0166 -0.0412 -0.0064 0.0578 0.0054 0.0008 -0.0268 0.0709 -0.0507 0.0107 1155. (0.00020) RY ( 3) H 22 s( 8.64%)p 7.33( 63.28%)d 2.94( 25.42%) f 0.31( 2.67%) 0.0007 0.2923 -0.0220 -0.0209 0.5203 -0.0356 -0.0475 0.4810 0.0347 -0.0885 -0.3404 -0.0051 0.0477 -0.1352 -0.0139 0.1281 -0.0158 -0.1877 0.0091 -0.4239 0.0430 -0.0435 -0.0162 0.0539 -0.0068 -0.0390 -0.0068 0.0488 0.1372 -0.0309 1156. (0.00009) RY ( 4) H 22 s( 86.53%)p 0.07( 6.03%)d 0.08( 7.10%) f 0.00( 0.34%) 1157. (0.00003) RY ( 5) H 22 s( 1.22%)p53.96( 65.72%)d25.44( 30.98%) f 1.71( 2.08%) 1158. (0.00001) RY ( 6) H 22 s( 0.92%)p22.85( 21.12%)d81.25( 75.09%) f 3.11( 2.87%) 1159. (0.00000) RY ( 7) H 22 s( 4.02%)p12.78( 51.39%)d10.60( 42.61%) f 0.49( 1.98%) 1160. (0.00000) RY ( 8) H 22 s( 4.67%)p 7.21( 33.70%)d12.65( 59.12%) f 0.54( 2.50%) 1161. (0.00000) RY ( 9) H 22 s( 3.97%)p15.50( 61.56%)d 7.75( 30.77%) f 0.93( 3.70%) 1162. (0.00000) RY (10) H 22 s( 3.56%)p 3.36( 11.99%)d13.05( 46.53%) f10.64( 37.92%) 1163. (0.00000) RY (11) H 22 s( 0.50%)p20.37( 10.13%)d31.58( 15.71%) f99.99( 73.66%) 1164. (0.00000) RY (12) H 22 s( 1.29%)p 8.61( 11.14%)d16.80( 21.73%) f50.89( 65.83%) 1165. (0.00000) RY (13) H 22 s( 0.60%)p38.07( 22.93%)d69.51( 41.85%) f57.48( 34.62%) 1166. (0.00000) RY (14) H 22 s( 3.57%)p 6.93( 24.77%)d 4.79( 17.10%) f15.27( 54.56%) 1167. (0.00000) RY (15) H 22 s( 0.90%)p34.90( 31.55%)d28.15( 25.45%) f46.56( 42.09%) 1168. (0.00000) RY (16) H 22 s( 0.78%)p64.72( 50.72%)d11.85( 9.28%) f50.03( 39.21%) 1169. (0.00000) RY (17) H 22 s( 42.18%)p 0.72( 30.37%)d 0.37( 15.41%) f 0.29( 12.04%) 1170. (0.00000) RY (18) H 22 s( 8.48%)p 2.61( 22.11%)d 1.02( 8.62%) f 7.16( 60.79%) 1171. (0.00000) RY (19) H 22 s( 8.55%)p 3.59( 30.70%)d 2.40( 20.50%) f 4.71( 40.25%) 1172. (0.00000) RY (20) H 22 s( 7.47%)p 6.62( 49.45%)d 5.17( 38.63%) f 0.60( 4.45%) 1173. (0.00000) RY (21) H 22 s( 2.04%)p22.82( 46.47%)d20.95( 42.65%) f 4.34( 8.84%) 1174. (0.00000) RY (22) H 22 s( 1.80%)p19.27( 34.63%)d23.16( 41.64%) f12.20( 21.93%) 1175. (0.00000) RY (23) H 22 s( 2.11%)p35.84( 75.64%)d 9.50( 20.05%) f 1.04( 2.20%) 1176. (0.00000) RY (24) H 22 s( 16.59%)p 1.46( 24.16%)d 3.00( 49.85%) f 0.57( 9.39%) 1177. (0.00000) RY (25) H 22 s( 0.23%)p62.38( 14.53%)d99.99( 75.73%) f40.82( 9.51%) 1178. (0.00000) RY (26) H 22 s( 0.01%)p99.99( 1.93%)d99.99( 87.57%) f99.99( 10.49%) 1179. (0.00000) RY (27) H 22 s( 0.05%)p99.99( 7.87%)d99.99( 49.83%) f99.99( 42.25%) 1180. (0.00000) RY (28) H 22 s( 1.21%)p 6.65( 8.04%)d40.35( 48.79%) f34.70( 41.96%) 1181. (0.00000) RY (29) H 22 s( 1.40%)p 0.83( 1.16%)d19.13( 26.87%) f50.23( 70.57%) 1182. (0.00034) RY ( 1) H 23 s( 1.74%)p45.05( 78.20%)d10.90( 18.92%) f 0.66( 1.14%) -0.0008 0.1310 0.0144 0.0015 0.5105 0.0669 -0.0487 -0.6462 -0.0629 0.0478 -0.2935 -0.0554 0.0392 -0.0812 0.0151 0.2295 -0.0096 -0.2853 0.0170 -0.0236 -0.0066 -0.2160 0.0254 -0.0680 0.0466 -0.0522 -0.0006 -0.0414 -0.0146 -0.0011 1183. (0.00023) RY ( 2) H 23 s( 5.46%)p12.87( 70.28%)d 4.10( 22.37%) f 0.35( 1.89%) 0.0022 0.1718 0.1570 0.0206 0.6377 -0.0029 -0.0608 0.5308 -0.0009 -0.0901 -0.0359 0.0222 0.0290 0.0764 0.0019 0.3124 -0.0262 0.2889 -0.0386 0.1834 -0.0140 -0.0173 0.0225 0.0005 0.0934 0.0612 0.0735 -0.0081 0.0303 -0.0015 1184. (0.00016) RY ( 3) H 23 s( 87.41%)p 0.10( 8.36%)d 0.05( 3.98%) f 0.00( 0.25%) -0.0038 0.9290 -0.1051 -0.0064 -0.2256 -0.0448 -0.0176 0.0034 -0.0029 -0.0297 -0.0947 -0.1381 0.0380 0.0434 0.0041 -0.1228 -0.0049 0.0921 -0.0023 0.0186 0.0060 -0.1179 -0.0037 -0.0013 -0.0396 0.0154 -0.0083 0.0136 0.0083 0.0183 1185. (0.00007) RY ( 4) H 23 s( 67.12%)p 0.24( 16.14%)d 0.23( 15.57%) f 0.02( 1.17%) 1186. (0.00004) RY ( 5) H 23 s( 18.31%)p 3.16( 57.92%)d 1.20( 21.98%) f 0.10( 1.79%) 1187. (0.00001) RY ( 6) H 23 s( 1.49%)p29.95( 44.48%)d34.65( 51.45%) f 1.74( 2.58%) 1188. (0.00001) RY ( 7) H 23 s( 13.17%)p 5.49( 72.34%)d 0.99( 13.00%) f 0.11( 1.49%) 1189. (0.00000) RY ( 8) H 23 s( 1.96%)p18.21( 35.67%)d30.96( 60.64%) f 0.89( 1.74%) 1190. (0.00000) RY ( 9) H 23 s( 0.90%)p 1.76( 1.58%)d22.25( 19.95%) f86.54( 77.58%) 1191. (0.00000) RY (10) H 23 s( 1.00%)p16.99( 17.05%)d19.71( 19.78%) f61.94( 62.17%) 1192. (0.00000) RY (11) H 23 s( 1.03%)p42.01( 43.29%)d26.24( 27.05%) f27.78( 28.63%) 1193. (0.00000) RY (12) H 23 s( 0.11%)p99.99( 23.91%)d99.99( 32.02%) f99.99( 43.95%) 1194. (0.00000) RY (13) H 23 s( 5.51%)p 4.80( 26.45%)d 5.88( 32.45%) f 6.45( 35.59%) 1195. (0.00000) RY (14) H 23 s( 2.90%)p12.89( 37.41%)d 6.90( 20.01%) f13.67( 39.67%) 1196. (0.00000) RY (15) H 23 s( 6.42%)p 7.40( 47.49%)d 2.71( 17.39%) f 4.47( 28.70%) 1197. (0.00000) RY (16) H 23 s( 5.55%)p10.50( 58.30%)d 6.10( 33.89%) f 0.41( 2.26%) 1198. (0.00000) RY (17) H 23 s( 12.88%)p 2.23( 28.69%)d 1.36( 17.53%) f 3.18( 40.91%) 1199. (0.00000) RY (18) H 23 s( 5.71%)p 3.82( 21.81%)d 4.25( 24.28%) f 8.44( 48.20%) 1200. (0.00000) RY (19) H 23 s( 0.03%)p99.99( 25.37%)d99.99( 50.29%) f99.99( 24.31%) 1201. (0.00000) RY (20) H 23 s( 27.26%)p 1.68( 45.87%)d 0.74( 20.06%) f 0.25( 6.81%) 1202. (0.00000) RY (21) H 23 s( 1.79%)p10.46( 18.69%)d43.77( 78.23%) f 0.72( 1.29%) 1203. (0.00000) RY (22) H 23 s( 23.12%)p 1.24( 28.59%)d 1.88( 43.46%) f 0.21( 4.82%) 1204. (0.00000) RY (23) H 23 s( 8.60%)p 5.91( 50.84%)d 4.00( 34.40%) f 0.72( 6.17%) 1205. (0.00000) RY (24) H 23 s( 0.02%)p99.99( 6.76%)d99.99( 82.64%) f99.99( 10.58%) 1206. (0.00000) RY (25) H 23 s( 0.03%)p99.99( 3.57%)d99.99( 27.38%) f99.99( 69.02%) 1207. (0.00000) RY (26) H 23 s( 0.01%)p99.99( 6.39%)d99.99( 64.97%) f99.99( 28.63%) 1208. (0.00000) RY (27) H 23 s( 0.10%)p99.99( 12.07%)d99.99( 43.32%) f99.99( 44.51%) 1209. (0.00000) RY (28) H 23 s( 0.47%)p15.46( 7.28%)d99.99( 73.67%) f39.44( 18.58%) 1210. (0.00000) RY (29) H 23 s( 0.05%)p92.49( 5.08%)d99.99( 29.31%) f99.99( 65.55%) 1211. (0.00032) RY ( 1) H 24 s( 0.44%)p99.99( 77.37%)d47.52( 21.11%) f 2.42( 1.08%) 0.0006 0.0099 0.0622 -0.0218 -0.6306 -0.0940 0.0782 0.4050 0.0334 -0.0363 -0.4352 -0.0555 0.0464 0.2094 -0.0226 0.2099 -0.0181 0.1011 -0.0103 0.3042 -0.0110 0.1380 -0.0170 0.0100 -0.0138 -0.0443 -0.0251 -0.0471 0.0318 -0.0682 1212. (0.00020) RY ( 2) H 24 s( 11.91%)p 5.21( 62.02%)d 2.01( 23.87%) f 0.19( 2.21%) -0.0031 0.3410 0.0387 -0.0358 -0.4984 0.0474 0.0569 -0.1737 0.0487 0.0360 0.5702 0.0018 -0.0852 0.2137 -0.0374 0.0933 -0.0099 -0.2950 0.0107 0.0244 0.0203 -0.3059 0.0337 -0.0205 0.0194 0.1080 -0.0685 -0.0289 0.0577 -0.0274 1213. (0.00016) RY ( 3) H 24 s( 79.72%)p 0.12( 9.59%)d 0.13( 10.21%) f 0.01( 0.48%) -0.0023 0.8904 -0.0636 0.0170 0.1700 -0.0358 -0.0729 0.1538 0.0832 -0.0669 -0.0866 0.1218 0.0548 -0.1780 0.0230 -0.1295 -0.0019 0.0610 -0.0151 0.1236 0.0047 0.1829 -0.0198 -0.0041 0.0041 -0.0519 -0.0005 0.0236 -0.0393 0.0032 1214. (0.00007) RY ( 4) H 24 s( 78.67%)p 0.22( 17.06%)d 0.05( 4.16%) f 0.00( 0.11%) 1215. (0.00003) RY ( 5) H 24 s( 8.18%)p 7.55( 61.79%)d 3.44( 28.15%) f 0.23( 1.88%) 1216. (0.00001) RY ( 6) H 24 s( 6.52%)p 8.60( 56.03%)d 5.28( 34.43%) f 0.46( 3.02%) 1217. (0.00001) RY ( 7) H 24 s( 10.86%)p 5.44( 59.10%)d 2.62( 28.42%) f 0.15( 1.62%) 1218. (0.00001) RY ( 8) H 24 s( 0.59%)p54.32( 32.11%)d99.99( 65.61%) f 2.86( 1.69%) 1219. (0.00000) RY ( 9) H 24 s( 32.00%)p 1.15( 36.89%)d 0.81( 25.93%) f 0.16( 5.18%) 1220. (0.00000) RY (10) H 24 s( 0.12%)p99.99( 16.04%)d99.99( 24.22%) f99.99( 59.62%) 1221. (0.00000) RY (11) H 24 s( 3.12%)p 7.21( 22.53%)d 8.48( 26.50%) f15.31( 47.84%) 1222. (0.00000) RY (12) H 24 s( 0.66%)p43.03( 28.30%)d53.94( 35.47%) f54.09( 35.57%) 1223. (0.00000) RY (13) H 24 s( 5.50%)p 3.27( 17.97%)d 3.37( 18.57%) f10.53( 57.96%) 1224. (0.00000) RY (14) H 24 s( 0.60%)p62.10( 37.28%)d48.49( 29.11%) f54.99( 33.01%) 1225. (0.00000) RY (15) H 24 s( 14.32%)p 3.55( 50.86%)d 1.02( 14.66%) f 1.41( 20.16%) 1226. (0.00000) RY (16) H 24 s( 7.24%)p 4.85( 35.11%)d 2.69( 19.50%) f 5.27( 38.15%) 1227. (0.00000) RY (17) H 24 s( 0.08%)p99.99( 54.50%)d99.99( 13.38%) f99.99( 32.04%) 1228. (0.00000) RY (18) H 24 s( 1.97%)p 8.96( 17.64%)d35.52( 69.98%) f 5.28( 10.41%) 1229. (0.00000) RY (19) H 24 s( 0.95%)p48.70( 46.10%)d52.00( 49.22%) f 3.94( 3.73%) 1230. (0.00000) RY (20) H 24 s( 5.27%)p 6.61( 34.83%)d10.89( 57.37%) f 0.48( 2.53%) 1231. (0.00000) RY (21) H 24 s( 3.02%)p16.96( 51.15%)d14.64( 44.14%) f 0.56( 1.68%) 1232. (0.00000) RY (22) H 24 s( 24.71%)p 1.34( 33.07%)d 1.27( 31.33%) f 0.44( 10.89%) 1233. (0.00000) RY (23) H 24 s( 0.00%)p 1.00( 7.19%)d11.89( 85.44%) f 1.03( 7.37%) 1234. (0.00000) RY (24) H 24 s( 0.01%)p 1.00( 5.93%)d13.94( 82.74%) f 1.91( 11.31%) 1235. (0.00000) RY (25) H 24 s( 0.05%)p99.99( 5.45%)d99.99( 78.11%) f99.99( 16.39%) 1236. (0.00000) RY (26) H 24 s( 0.00%)p 1.00( 6.21%)d 2.28( 14.15%) f12.83( 79.64%) 1237. (0.00000) RY (27) H 24 s( 1.82%)p 1.40( 2.56%)d 7.65( 13.93%) f44.87( 81.69%) 1238. (0.00000) RY (28) H 24 s( 0.87%)p 5.20( 4.50%)d11.66( 10.09%) f97.70( 84.54%) 1239. (0.00000) RY (29) H 24 s( 0.94%)p11.43( 10.70%)d42.95( 40.19%) f51.47( 48.17%) 1240. (0.00041) RY ( 1) H 25 s( 85.55%)p 0.16( 14.00%)d 0.00( 0.36%) f 0.00( 0.09%) 0.0031 0.9249 0.0076 -0.0079 0.1431 -0.0949 0.0830 0.2735 0.1655 0.0092 0.0319 0.0164 -0.0044 -0.0066 -0.0060 0.0086 -0.0012 -0.0034 0.0003 -0.0573 0.0027 -0.0124 0.0020 -0.0068 0.0223 -0.0064 0.0029 -0.0051 -0.0017 0.0162 1241. (0.00023) RY ( 2) H 25 s( 0.13%)p99.99( 76.79%)d99.99( 21.03%) f15.52( 2.06%) 0.0001 0.0334 -0.0139 0.0041 -0.0623 -0.0342 0.0133 0.0291 -0.0030 -0.0180 -0.8416 -0.2039 0.1080 0.0455 -0.0077 -0.4429 0.0582 0.0560 -0.0023 -0.0402 0.0028 0.0616 -0.0067 0.0899 0.0329 -0.0053 -0.1054 0.0068 -0.0101 0.0102 1242. (0.00021) RY ( 3) H 25 s( 68.79%)p 0.37( 25.53%)d 0.08( 5.40%) f 0.00( 0.28%) 0.0024 -0.0899 0.8244 -0.0155 0.2312 0.2944 -0.0644 0.3311 0.0021 0.0008 -0.0192 -0.0299 0.0102 0.1320 -0.0100 -0.0098 0.0027 -0.0329 0.0013 0.1738 -0.0096 0.0706 0.0029 0.0127 -0.0493 -0.0028 -0.0104 0.0065 -0.0072 0.0053 1243. (0.00016) RY ( 4) H 25 s( 14.98%)p 5.02( 75.17%)d 0.61( 9.17%) f 0.04( 0.67%) 0.0050 0.2473 0.2796 0.1026 0.0225 -0.1546 0.0123 -0.5301 -0.6553 -0.1215 -0.0146 -0.0312 -0.0261 0.2531 -0.0681 0.0675 -0.0070 0.0039 0.0064 -0.1301 -0.0343 0.0126 0.0117 -0.0071 0.0279 0.0175 0.0142 0.0065 -0.0559 -0.0472 1244. (0.00009) RY ( 5) H 25 s( 14.68%)p 2.48( 36.33%)d 3.33( 48.84%) f 0.01( 0.16%) 1245. (0.00003) RY ( 6) H 25 s( 0.06%)p99.99( 39.67%)d99.99( 57.32%) f50.22( 2.95%) 1246. (0.00002) RY ( 7) H 25 s( 8.69%)p 7.10( 61.70%)d 2.82( 24.52%) f 0.59( 5.09%) 1247. (0.00000) RY ( 8) H 25 s( 0.16%)p37.46( 6.02%)d99.99( 87.70%) f38.05( 6.12%) 1248. (0.00000) RY ( 9) H 25 s( 9.34%)p 3.03( 28.26%)d 6.34( 59.19%) f 0.34( 3.21%) 1249. (0.00000) RY (10) H 25 s( 0.25%)p99.99( 47.53%)d57.65( 14.45%) f99.99( 37.77%) 1250. (0.00001) RY (11) H 25 s( 6.02%)p 5.94( 35.77%)d 9.36( 56.40%) f 0.30( 1.81%) 1251. (0.00000) RY (12) H 25 s( 0.01%)p 1.00( 35.31%)d 0.32( 11.32%) f 1.51( 53.36%) 1252. (0.00000) RY (13) H 25 s( 0.66%)p19.57( 12.91%)d42.93( 28.32%) f88.07( 58.10%) 1253. (0.00000) RY (14) H 25 s( 0.09%)p99.99( 9.47%)d99.99( 30.29%) f99.99( 60.14%) 1254. (0.00000) RY (15) H 25 s( 0.06%)p99.99( 44.73%)d99.99( 13.87%) f99.99( 41.34%) 1255. (0.00000) RY (16) H 25 s( 0.57%)p48.67( 27.92%)d39.26( 22.52%) f85.39( 48.99%) 1256. (0.00000) RY (17) H 25 s( 30.20%)p 0.63( 18.95%)d 1.21( 36.66%) f 0.47( 14.20%) 1257. (0.00000) RY (18) H 25 s( 23.06%)p 0.79( 18.18%)d 0.33( 7.51%) f 2.22( 51.25%) 1258. (0.00000) RY (19) H 25 s( 0.35%)p99.99( 48.63%)d19.35( 6.73%) f99.99( 44.29%) 1259. (0.00000) RY (20) H 25 s( 31.82%)p 1.05( 33.51%)d 0.92( 29.33%) f 0.17( 5.34%) 1260. (0.00000) RY (21) H 25 s( 1.34%)p31.62( 42.28%)d27.21( 36.39%) f14.96( 20.00%) 1261. (0.00000) RY (22) H 25 s( 3.16%)p17.26( 54.49%)d 8.06( 25.44%) f 5.36( 16.91%) 1262. (0.00000) RY (23) H 25 s( 0.03%)p99.99( 4.70%)d99.99( 79.33%) f99.99( 15.93%) 1263. (0.00000) RY (24) H 25 s( 0.03%)p99.99( 2.93%)d99.99( 76.79%) f99.99( 20.26%) 1264. (0.00000) RY (25) H 25 s( 0.01%)p99.99( 9.31%)d99.99( 67.04%) f99.99( 23.64%) 1265. (0.00000) RY (26) H 25 s( 0.00%)p 1.00( 15.57%)d 1.44( 22.49%) f 3.98( 61.93%) 1266. (0.00000) RY (27) H 25 s( 0.02%)p99.99( 17.58%)d99.99( 74.90%) f99.99( 7.51%) 1267. (0.00000) RY (28) H 25 s( 0.01%)p 1.00( 20.28%)d 0.91( 18.46%) f 3.02( 61.25%) 1268. (0.00000) RY (29) H 25 s( 0.05%)p99.99( 36.39%)d99.99( 28.21%) f99.99( 35.35%) 1269. (0.00037) RY ( 1) H 26 s( 79.27%)p 0.24( 18.71%)d 0.02( 1.91%) f 0.00( 0.11%) -0.0050 0.8794 -0.1392 -0.0006 -0.3189 -0.1192 -0.0213 -0.2253 0.0882 0.0147 0.0736 -0.0623 0.0524 -0.0268 0.0100 0.0451 -0.0145 0.0601 -0.0329 0.0240 -0.0008 0.1038 -0.0029 -0.0287 -0.0011 0.0136 0.0063 0.0009 0.0018 0.0004 1270. (0.00027) RY ( 2) H 26 s( 61.24%)p 0.50( 30.81%)d 0.12( 7.43%) f 0.01( 0.52%) 0.0023 0.3196 0.7143 -0.0088 0.4362 0.2104 -0.0275 0.1381 0.0704 0.0248 -0.0046 -0.2189 0.0153 -0.0036 -0.0008 -0.1975 0.0314 -0.0514 -0.0062 0.1772 -0.0086 0.0088 0.0062 0.0126 0.0679 -0.0085 0.0011 -0.0145 -0.0101 -0.0015 1271. (0.00021) RY ( 3) H 26 s( 21.97%)p 2.50( 54.94%)d 0.97( 21.31%) f 0.08( 1.77%) 0.0022 -0.1089 0.4553 0.0237 -0.5783 -0.1705 0.0792 0.2812 -0.0085 -0.0191 -0.2519 -0.1912 0.0140 -0.0091 -0.0038 0.3812 -0.0539 -0.1764 0.0279 -0.0414 0.0157 0.1727 -0.0339 -0.0670 -0.0838 0.0150 0.0740 0.0143 -0.0033 -0.0177 1272. (0.00011) RY ( 4) H 26 s( 14.35%)p 3.03( 43.46%)d 2.92( 41.90%) f 0.02( 0.28%) -0.0002 -0.1990 0.3179 -0.0535 -0.0550 -0.0224 0.0536 -0.6074 0.1088 0.1410 -0.1160 0.1177 -0.0149 -0.1484 0.0241 0.0749 -0.0047 0.5796 -0.0833 0.0522 0.0052 0.2086 -0.0411 -0.0130 -0.0333 -0.0231 -0.0151 0.0174 0.0107 0.0187 1273. (0.00006) RY ( 5) H 26 s( 3.19%)p27.37( 87.18%)d 2.65( 8.44%) f 0.37( 1.19%) 1274. (0.00002) RY ( 6) H 26 s( 7.51%)p 8.94( 67.18%)d 2.73( 20.51%) f 0.64( 4.80%) 1275. (0.00001) RY ( 7) H 26 s( 8.60%)p 4.24( 36.52%)d 5.88( 50.60%) f 0.50( 4.27%) 1276. (0.00000) RY ( 8) H 26 s( 11.11%)p 4.32( 47.98%)d 2.95( 32.76%) f 0.73( 8.16%) 1277. (0.00000) RY ( 9) H 26 s( 2.41%)p 5.31( 12.79%)d34.43( 82.93%) f 0.78( 1.87%) 1278. (0.00001) RY (10) H 26 s( 3.12%)p18.18( 56.69%)d10.54( 32.88%) f 2.35( 7.31%) 1279. (0.00001) RY (11) H 26 s( 2.97%)p12.04( 35.75%)d11.90( 35.34%) f 8.74( 25.94%) 1280. (0.00000) RY (12) H 26 s( 0.07%)p99.99( 31.92%)d99.99( 14.93%) f99.99( 53.08%) 1281. (0.00000) RY (13) H 26 s( 0.02%)p99.99( 15.81%)d99.99( 48.47%) f99.99( 35.69%) 1282. (0.00000) RY (14) H 26 s( 0.09%)p99.99( 26.22%)d99.99( 46.47%) f99.99( 27.22%) 1283. (0.00000) RY (15) H 26 s( 1.19%)p 7.22( 8.57%)d10.68( 12.67%) f65.38( 77.57%) 1284. (0.00000) RY (16) H 26 s( 0.84%)p46.17( 38.82%)d26.02( 21.88%) f45.75( 38.46%) 1285. (0.00000) RY (17) H 26 s( 0.62%)p33.40( 20.77%)d24.18( 15.04%) f99.99( 63.57%) 1286. (0.00000) RY (18) H 26 s( 0.40%)p99.99( 55.61%)d19.23( 7.68%) f90.93( 36.31%) 1287. (0.00000) RY (19) H 26 s( 0.88%)p42.80( 37.47%)d47.75( 41.80%) f22.68( 19.85%) 1288. (0.00000) RY (20) H 26 s( 34.31%)p 0.94( 32.33%)d 0.72( 24.82%) f 0.25( 8.55%) 1289. (0.00000) RY (21) H 26 s( 39.27%)p 0.80( 31.54%)d 0.65( 25.38%) f 0.10( 3.81%) 1290. (0.00000) RY (22) H 26 s( 6.37%)p 4.54( 28.94%)d 9.53( 60.68%) f 0.63( 4.01%) 1291. (0.00000) RY (23) H 26 s( 0.01%)p 1.00( 1.23%)d75.68( 93.29%) f 4.44( 5.47%) 1292. (0.00000) RY (24) H 26 s( 0.03%)p99.99( 18.57%)d99.99( 40.94%) f99.99( 40.46%) 1293. (0.00000) RY (25) H 26 s( 0.03%)p99.99( 5.16%)d99.99( 86.40%) f99.99( 8.41%) 1294. (0.00000) RY (26) H 26 s( 0.14%)p55.31( 7.94%)d99.99( 21.20%) f99.99( 70.71%) 1295. (0.00000) RY (27) H 26 s( 0.03%)p99.99( 7.73%)d99.99( 42.02%) f99.99( 50.22%) 1296. (0.00000) RY (28) H 26 s( 0.09%)p99.99( 12.46%)d99.99( 20.78%) f99.99( 66.68%) 1297. (0.00000) RY (29) H 26 s( 0.02%)p99.99( 26.78%)d99.99( 39.52%) f99.99( 33.68%) 1298. (0.00042) RY ( 1) H 27 s( 87.99%)p 0.13( 11.08%)d 0.01( 0.79%) f 0.00( 0.14%) 0.0015 0.9377 0.0237 0.0052 -0.1213 0.0495 -0.0438 -0.0999 -0.2778 -0.0164 -0.0079 0.0607 -0.0224 0.0020 0.0259 -0.0376 -0.0082 0.0153 0.0166 -0.0670 -0.0078 -0.0261 0.0028 -0.0164 0.0042 -0.0045 0.0203 -0.0196 0.0044 -0.0173 1299. (0.00021) RY ( 2) H 27 s( 64.20%)p 0.40( 25.90%)d 0.14( 9.20%) f 0.01( 0.70%) -0.0001 -0.0596 0.7990 0.0075 0.0713 -0.1614 0.0187 0.0061 -0.2826 -0.0432 -0.2977 -0.2277 0.0727 -0.1496 0.0195 0.0981 -0.0152 -0.1102 0.0131 -0.0020 0.0056 0.2153 -0.0261 0.0337 -0.0576 -0.0044 -0.0208 0.0016 0.0423 -0.0185 1300. (0.00019) RY ( 3) H 27 s( 12.02%)p 4.73( 56.90%)d 2.40( 28.89%) f 0.18( 2.19%) 0.0020 -0.0633 0.3408 0.0020 -0.4040 -0.2286 0.0900 0.0160 -0.0597 -0.0050 0.5641 0.1200 -0.0946 -0.0717 0.0004 -0.2235 0.0279 -0.0009 0.0020 0.3049 -0.0319 -0.3696 0.0498 0.0448 0.1324 -0.0239 -0.0010 -0.0165 -0.0375 0.0114 1301. (0.00011) RY ( 4) H 27 s( 8.15%)p 4.55( 37.05%)d 6.71( 54.65%) f 0.02( 0.16%) -0.0034 0.0557 0.2648 -0.0907 -0.0006 0.0478 -0.0177 -0.4768 0.3213 0.1885 -0.0211 0.0359 -0.0003 0.5720 -0.0915 0.1426 -0.0225 0.3584 -0.0580 0.2240 -0.0119 0.0887 0.0028 -0.0158 -0.0088 0.0136 -0.0079 -0.0175 -0.0258 -0.0034 1302. (0.00008) RY ( 5) H 27 s( 10.31%)p 8.00( 82.54%)d 0.64( 6.63%) f 0.05( 0.51%) 1303. (0.00003) RY ( 6) H 27 s( 12.17%)p 5.27( 64.18%)d 1.53( 18.65%) f 0.41( 5.00%) 1304. (0.00001) RY ( 7) H 27 s( 2.78%)p18.90( 52.62%)d15.33( 42.69%) f 0.68( 1.90%) 1305. (0.00001) RY ( 8) H 27 s( 7.04%)p 8.19( 57.63%)d 4.60( 32.34%) f 0.42( 2.99%) 1306. (0.00001) RY ( 9) H 27 s( 0.18%)p99.99( 19.10%)d99.99( 71.84%) f48.36( 8.87%) 1307. (0.00000) RY (10) H 27 s( 0.26%)p99.99( 37.28%)d99.99( 34.98%) f99.99( 27.48%) 1308. (0.00000) RY (11) H 27 s( 0.79%)p48.33( 38.07%)d64.68( 50.96%) f12.92( 10.18%) 1309. (0.00000) RY (12) H 27 s( 16.86%)p 2.12( 35.76%)d 2.47( 41.58%) f 0.34( 5.79%) 1310. (0.00000) RY (13) H 27 s( 1.09%)p22.73( 24.67%)d21.40( 23.22%) f47.02( 51.03%) 1311. (0.00000) RY (14) H 27 s( 0.23%)p99.99( 40.73%)d45.25( 10.46%) f99.99( 48.58%) 1312. (0.00000) RY (15) H 27 s( 2.21%)p 2.68( 5.92%)d 5.50( 12.17%) f36.03( 79.69%) 1313. (0.00000) RY (16) H 27 s( 3.42%)p 8.34( 28.50%)d 7.67( 26.19%) f12.27( 41.90%) 1314. (0.00000) RY (17) H 27 s( 2.58%)p10.20( 26.29%)d 5.24( 13.52%) f22.35( 57.61%) 1315. (0.00000) RY (18) H 27 s( 16.96%)p 1.52( 25.76%)d 1.43( 24.33%) f 1.94( 32.95%) 1316. (0.00000) RY (19) H 27 s( 16.44%)p 2.20( 36.15%)d 1.25( 20.60%) f 1.63( 26.81%) 1317. (0.00000) RY (20) H 27 s( 25.32%)p 0.94( 23.81%)d 0.33( 8.29%) f 1.68( 42.57%) 1318. (0.00000) RY (21) H 27 s( 2.23%)p18.12( 40.38%)d16.05( 35.77%) f 9.71( 21.63%) 1319. (0.00000) RY (22) H 27 s( 6.19%)p 7.56( 46.81%)d 6.34( 39.28%) f 1.25( 7.72%) 1320. (0.00000) RY (23) H 27 s( 0.02%)p99.99( 5.00%)d99.99( 86.67%) f99.99( 8.31%) 1321. (0.00000) RY (24) H 27 s( 0.10%)p39.18( 3.81%)d99.99( 91.71%) f45.05( 4.38%) 1322. (0.00000) RY (25) H 27 s( 0.06%)p99.99( 8.25%)d99.99( 77.23%) f99.99( 14.46%) 1323. (0.00000) RY (26) H 27 s( 0.25%)p 7.88( 1.97%)d99.99( 44.84%) f99.99( 52.94%) 1324. (0.00000) RY (27) H 27 s( 0.01%)p 1.00( 18.04%)d 3.25( 58.62%) f 1.29( 23.34%) 1325. (0.00000) RY (28) H 27 s( 0.24%)p99.99( 27.70%)d40.44( 9.63%) f99.99( 62.43%) 1326. (0.00000) RY (29) H 27 s( 0.04%)p99.99( 18.01%)d99.99( 24.26%) f99.99( 57.70%) 1327. (0.00040) RY ( 1) H 28 s( 82.21%)p 0.20( 16.27%)d 0.02( 1.46%) f 0.00( 0.06%) -0.0050 0.8998 -0.1113 -0.0016 -0.2825 -0.1042 -0.0284 -0.2258 0.0658 0.0187 -0.0994 0.0600 -0.0460 -0.0362 0.0126 -0.0121 0.0119 -0.0796 0.0295 0.0124 0.0049 0.0736 0.0032 0.0231 0.0083 0.0025 0.0002 0.0005 0.0012 0.0012 1328. (0.00026) RY ( 2) H 28 s( 57.52%)p 0.59( 33.92%)d 0.14( 7.97%) f 0.01( 0.59%) 0.0023 0.2814 0.7042 -0.0084 0.4549 0.2469 -0.0339 0.1664 0.0464 0.0288 -0.0445 0.1935 -0.0082 -0.0235 0.0047 0.1772 -0.0279 0.0280 0.0049 0.2110 -0.0128 -0.0339 0.0168 -0.0409 0.0624 -0.0008 0.0161 -0.0017 -0.0077 -0.0014 1329. (0.00021) RY ( 3) H 28 s( 20.97%)p 2.71( 56.78%)d 0.98( 20.50%) f 0.08( 1.75%) 0.0018 -0.0624 0.4531 0.0237 -0.5444 -0.1411 0.0718 0.2380 -0.0138 -0.0103 0.3692 0.2282 -0.0316 0.0673 -0.0126 -0.2981 0.0392 0.1025 -0.0140 -0.0554 0.0191 0.3056 -0.0488 0.0953 -0.0332 0.0043 -0.0829 0.0083 -0.0181 -0.0013 1330. (0.00011) RY ( 4) H 28 s( 15.21%)p 2.82( 42.82%)d 2.74( 41.69%) f 0.02( 0.28%) -0.0004 -0.2003 0.3293 -0.0592 -0.0418 -0.0201 0.0551 -0.6181 0.1161 0.1387 0.0222 -0.0839 0.0266 -0.2224 0.0351 -0.0783 0.0011 -0.5882 0.0858 -0.0441 0.0176 0.0651 -0.0169 0.0154 -0.0333 -0.0294 -0.0005 -0.0204 0.0068 0.0125 1331. (0.00006) RY ( 5) H 28 s( 3.86%)p22.70( 87.54%)d 1.95( 7.52%) f 0.28( 1.08%) 1332. (0.00003) RY ( 6) H 28 s( 7.84%)p 8.59( 67.27%)d 2.54( 19.87%) f 0.64( 5.02%) 1333. (0.00001) RY ( 7) H 28 s( 6.88%)p 5.58( 38.43%)d 7.40( 50.94%) f 0.54( 3.75%) 1334. (0.00001) RY ( 8) H 28 s( 2.04%)p26.08( 53.08%)d11.05( 22.50%) f11.00( 22.39%) 1335. (0.00001) RY ( 9) H 28 s( 4.50%)p 6.72( 30.26%)d11.16( 50.23%) f 3.33( 15.00%) 1336. (0.00000) RY (10) H 28 s( 12.90%)p 1.73( 22.37%)d 4.68( 60.41%) f 0.34( 4.33%) 1337. (0.00000) RY (11) H 28 s( 6.41%)p 7.08( 45.43%)d 7.35( 47.14%) f 0.16( 1.01%) 1338. (0.00000) RY (12) H 28 s( 34.98%)p 0.92( 32.18%)d 0.73( 25.59%) f 0.21( 7.25%) 1339. (0.00000) RY (13) H 28 s( 8.51%)p 5.19( 44.19%)d 4.92( 41.86%) f 0.64( 5.44%) 1340. (0.00000) RY (14) H 28 s( 31.76%)p 0.52( 16.53%)d 1.52( 48.31%) f 0.11( 3.40%) 1341. (0.00000) RY (15) H 28 s( 0.05%)p99.99( 40.38%)d99.99( 21.00%) f99.99( 38.56%) 1342. (0.00000) RY (16) H 28 s( 0.06%)p99.99( 9.21%)d99.99( 45.95%) f99.99( 44.79%) 1343. (0.00000) RY (17) H 28 s( 0.42%)p71.08( 29.76%)d99.99( 44.51%) f60.44( 25.31%) 1344. (0.00000) RY (18) H 28 s( 1.18%)p10.88( 12.86%)d10.01( 11.84%) f62.66( 74.11%) 1345. (0.00000) RY (19) H 28 s( 0.34%)p97.25( 32.99%)d63.47( 21.53%) f99.99( 45.15%) 1346. (0.00000) RY (20) H 28 s( 0.96%)p28.38( 27.28%)d17.82( 17.13%) f56.84( 54.64%) 1347. (0.00000) RY (21) H 28 s( 0.67%)p81.93( 55.22%)d13.38( 9.02%) f52.08( 35.09%) 1348. (0.00000) RY (22) H 28 s( 0.43%)p85.93( 37.35%)d92.77( 40.32%) f50.36( 21.89%) 1349. (0.00000) RY (23) H 28 s( 0.03%)p96.38( 2.65%)d99.99( 87.44%) f99.99( 9.88%) 1350. (0.00000) RY (24) H 28 s( 0.02%)p99.99( 17.43%)d99.99( 45.94%) f99.99( 36.61%) 1351. (0.00000) RY (25) H 28 s( 0.04%)p99.99( 7.21%)d99.99( 85.18%) f99.99( 7.56%) 1352. (0.00000) RY (26) H 28 s( 0.19%)p53.68( 10.08%)d99.99( 34.79%) f99.99( 54.95%) 1353. (0.00000) RY (27) H 28 s( 0.01%)p99.99( 7.13%)d99.99( 39.97%) f99.99( 52.89%) 1354. (0.00000) RY (28) H 28 s( 0.09%)p85.66( 7.90%)d99.99( 12.65%) f99.99( 79.36%) 1355. (0.00000) RY (29) H 28 s( 0.05%)p99.99( 15.36%)d99.99( 36.73%) f99.99( 47.86%) 1356. (0.00036) RY ( 1) H 29 s( 82.88%)p 0.19( 15.59%)d 0.02( 1.32%) f 0.00( 0.22%) 0.0032 0.9101 0.0211 0.0083 -0.1595 0.0462 -0.0472 -0.0740 -0.3101 -0.0428 -0.0159 -0.1472 0.0261 -0.0122 0.0257 0.0607 0.0167 0.0331 -0.0246 -0.0637 -0.0123 -0.0496 -0.0047 0.0108 0.0279 -0.0130 -0.0266 0.0164 0.0067 -0.0081 1357. (0.00021) RY ( 2) H 29 s( 9.00%)p 6.79( 61.10%)d 3.09( 27.85%) f 0.23( 2.05%) 0.0018 -0.1209 0.2745 0.0006 -0.4899 -0.2614 0.0817 0.1522 -0.0480 -0.0282 -0.5029 -0.1171 0.0554 -0.1144 0.0085 0.0748 -0.0123 0.0976 -0.0172 0.3027 -0.0374 -0.3923 0.0528 -0.0887 0.1019 -0.0027 0.0317 -0.0130 -0.0312 0.0096 1358. (0.00019) RY ( 3) H 29 s( 61.28%)p 0.41( 25.03%)d 0.21( 12.90%) f 0.01( 0.79%) 0.0013 -0.0249 0.7824 0.0115 0.0686 -0.1724 0.0044 0.1351 -0.2712 -0.0291 0.2677 0.2125 -0.0803 -0.1467 0.0222 -0.0487 0.0078 0.1182 -0.0153 0.0067 0.0058 0.2982 -0.0366 -0.0117 -0.0688 0.0001 -0.0063 0.0073 0.0505 -0.0187 1359. (0.00012) RY ( 4) H 29 s( 13.52%)p 2.79( 37.74%)d 3.59( 48.58%) f 0.01( 0.16%) -0.0028 0.0432 0.3593 -0.0651 -0.0317 0.0085 0.0036 -0.5684 0.1621 0.1454 -0.0701 0.0125 0.0279 0.4783 -0.0787 -0.0603 0.0173 -0.4615 0.0666 0.1689 -0.0091 -0.0247 0.0160 0.0063 0.0058 -0.0036 0.0115 0.0313 -0.0175 -0.0102 1360. (0.00006) RY ( 5) H 29 s( 12.86%)p 6.25( 80.32%)d 0.49( 6.24%) f 0.04( 0.57%) 1361. (0.00002) RY ( 6) H 29 s( 14.85%)p 3.98( 59.03%)d 1.40( 20.82%) f 0.36( 5.31%) 1362. (0.00001) RY ( 7) H 29 s( 6.55%)p 6.75( 44.21%)d 6.00( 39.33%) f 1.51( 9.91%) 1363. (0.00001) RY ( 8) H 29 s( 0.58%)p81.77( 47.65%)d86.14( 50.20%) f 2.69( 1.57%) 1364. (0.00001) RY ( 9) H 29 s( 8.18%)p 5.09( 41.63%)d 4.14( 33.89%) f 1.99( 16.30%) 1365. (0.00000) RY (10) H 29 s( 3.70%)p12.64( 46.82%)d11.34( 42.01%) f 2.01( 7.46%) 1366. (0.00000) RY (11) H 29 s( 1.55%)p17.15( 26.60%)d40.84( 63.33%) f 5.49( 8.51%) 1367. (0.00000) RY (12) H 29 s( 11.88%)p 3.40( 40.44%)d 3.10( 36.80%) f 0.92( 10.88%) 1368. (0.00000) RY (13) H 29 s( 0.31%)p45.37( 14.17%)d99.99( 32.82%) f99.99( 52.69%) 1369. (0.00000) RY (14) H 29 s( 2.12%)p10.87( 23.01%)d18.95( 40.13%) f16.41( 34.75%) 1370. (0.00000) RY (15) H 29 s( 0.41%)p17.51( 7.12%)d39.13( 15.91%) f99.99( 76.57%) 1371. (0.00000) RY (16) H 29 s( 0.17%)p99.99( 38.96%)d99.99( 32.77%) f99.99( 28.10%) 1372. (0.00000) RY (17) H 29 s( 0.87%)p40.20( 34.89%)d20.56( 17.84%) f53.46( 46.40%) 1373. (0.00000) RY (18) H 29 s( 4.19%)p 8.92( 37.36%)d 3.19( 13.38%) f10.77( 45.08%) 1374. (0.00000) RY (19) H 29 s( 5.51%)p 4.09( 22.53%)d 2.36( 13.03%) f10.69( 58.92%) 1375. (0.00000) RY (20) H 29 s( 18.38%)p 2.17( 39.84%)d 1.22( 22.41%) f 1.05( 19.37%) 1376. (0.00000) RY (21) H 29 s( 3.45%)p12.91( 44.59%)d 8.51( 29.39%) f 6.53( 22.56%) 1377. (0.00000) RY (22) H 29 s( 13.55%)p 3.38( 45.80%)d 1.70( 23.04%) f 1.30( 17.61%) 1378. (0.00000) RY (23) H 29 s( 23.84%)p 0.57( 13.48%)d 2.24( 53.40%) f 0.39( 9.29%) 1379. (0.00000) RY (24) H 29 s( 0.01%)p 1.00( 1.89%)d43.04( 81.31%) f 8.89( 16.80%) 1380. (0.00000) RY (25) H 29 s( 0.08%)p99.99( 11.81%)d99.99( 63.53%) f99.99( 24.58%) 1381. (0.00000) RY (26) H 29 s( 0.06%)p41.09( 2.34%)d99.99( 77.33%) f99.99( 20.27%) 1382. (0.00000) RY (27) H 29 s( 0.01%)p99.99( 6.00%)d99.99( 24.56%) f99.99( 69.43%) 1383. (0.00000) RY (28) H 29 s( 0.21%)p38.53( 8.28%)d58.54( 12.58%) f99.99( 78.93%) 1384. (0.00000) RY (29) H 29 s( 0.12%)p99.99( 21.66%)d99.99( 63.30%) f99.99( 14.92%) NHO DIRECTIONALITY AND BOND BENDING (deviation from line of nuclear centers at the position of maximum hybrid amplitude) [Thresholds for printing: angular deviation > 1.0 degree] p- or d-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev =============================================================================== 43. LP ( 1)Tc 1 -- -- 93.8 276.3 -- -- -- -- 44. LP ( 2)Tc 1 -- -- 137.1 347.7 -- -- -- -- 45. LP ( 1) S 2 -- -- 145.5 294.9 -- -- -- -- 46. LP ( 2) S 2 -- -- 44.2 263.6 -- -- -- -- 47. LP ( 3) S 2 -- -- 51.3 51.2 -- -- -- -- 49. LP ( 2) S 3 -- -- 124.8 250.7 -- -- -- -- 51. LP ( 2) S 4 -- -- 86.8 150.9 -- -- -- -- 53. LP ( 2) S 5 -- -- 64.2 254.1 -- -- -- -- 54. LP ( 1) S 6 -- -- 44.8 292.9 -- -- -- -- 55. LP ( 2) S 6 -- -- 144.1 259.0 -- -- -- -- 56. LP ( 3) S 6 -- -- 123.2 56.6 -- -- -- -- 57. LP ( 1) C 11 -- -- 94.7 271.9 -- -- -- -- 58. BD ( 1)Tc 1- P 10 92.1 325.6 93.1 320.2 5.5 89.2 150.1 4.7 59. BD ( 1) S 2- S 3 83.2 167.5 82.3 166.1 1.7 96.3 346.1 1.4 60. BD ( 1) S 3- S 4 38.8 242.9 36.3 246.0 3.2 136.9 62.1 4.3 61. BD ( 1) S 4- S 5 31.3 53.1 35.6 53.8 4.3 151.6 235.4 3.1 62. BD ( 1) S 5- S 6 87.9 347.1 88.5 345.8 1.4 93.1 165.8 1.6 63. BD ( 1) C 7- P 10 152.3 152.5 -- -- -- 24.8 332.5 3.0 65. BD ( 1) C 7- H 17 58.9 80.8 57.9 79.6 1.4 -- -- -- 66. BD ( 1) C 7- H 18 58.3 224.2 57.2 224.9 1.2 -- -- -- 67. BD ( 1) C 8- P 10 64.8 87.4 -- -- -- 116.2 265.0 2.4 69. BD ( 1) C 8- H 20 65.0 215.2 65.7 216.7 1.5 -- -- -- 70. BD ( 1) C 8- H 21 167.4 155.9 168.0 160.9 1.3 -- -- -- 71. BD ( 1) C 9- P 10 61.7 209.2 -- -- -- 119.3 31.9 2.6 73. BD ( 1) C 9- H 23 160.8 141.2 161.7 137.7 1.4 -- -- -- 74. BD ( 1) C 9- H 24 62.8 74.7 63.7 73.7 1.4 -- -- -- 75. BD ( 1) C 11- C 12 41.1 349.9 34.1 5.3 11.6 130.0 157.7 12.4 76. BD ( 1) C 11- C 15 147.7 1.6 151.5 23.3 11.6 39.2 164.3 12.2 77. BD ( 1) C 11- H 25 85.7 177.0 85.5 175.2 1.9 -- -- -- 78. BD ( 1) C 12- C 13 111.6 357.9 102.8 11.6 15.7 60.4 163.4 15.3 79. BD ( 1) C 12- H 26 15.7 203.6 14.6 195.8 2.3 -- -- -- 80. BD ( 1) C 13- C 14 173.7 130.8 158.9 77.6 18.0 16.9 42.6 18.2 81. BD ( 1) C 13- H 27 58.4 355.4 58.0 357.9 2.2 -- -- -- 82. BD ( 1) C 14- C 15 102.9 175.4 108.9 161.1 15.0 83.3 9.4 15.1 83. BD ( 1) C 14- H 29 130.2 1.3 130.1 4.3 2.3 -- -- -- 84. BD ( 1) C 15- H 28 157.4 173.2 157.3 167.4 2.3 -- -- -- SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.25 kcal/mol (Intermolecular threshold: 0.03 kcal/mol) E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 43. LP ( 1)Tc 1 87. LV ( 1)Tc 1 2.88 0.82 0.061 43. LP ( 1)Tc 1 88. BD*( 1)Tc 1- P 10 3.21 0.27 0.037 43. LP ( 1)Tc 1 97. BD*( 1) C 8- P 10 1.86 0.39 0.034 43. LP ( 1)Tc 1 101. BD*( 1) C 9- P 10 0.92 0.39 0.024 43. LP ( 1)Tc 1 107. BD*( 1) C 11- H 25 0.38 0.61 0.019 43. LP ( 1)Tc 1 109. BD*( 1) C 12- H 26 0.32 0.59 0.017 43. LP ( 1)Tc 1 111. BD*( 1) C 13- H 27 0.50 0.58 0.021 43. LP ( 1)Tc 1 113. BD*( 1) C 14- H 29 0.46 0.59 0.021 43. LP ( 1)Tc 1 114. BD*( 1) C 15- H 28 0.33 0.59 0.018 43. LP ( 1)Tc 1 117. 3C*( 1)Tc1-C12-C13 3.49 0.25 0.037 43. LP ( 1)Tc 1 118. 3C*( 1)Tc1-C14-C15 2.91 0.25 0.034 43. LP ( 1)Tc 1 120. RY ( 2)Tc 1 1.55 2.78 0.083 43. LP ( 1)Tc 1 124. RY ( 6)Tc 1 1.03 3.22 0.073 43. LP ( 1)Tc 1 125. RY ( 7)Tc 1 0.69 2.95 0.057 43. LP ( 1)Tc 1 126. RY ( 8)Tc 1 1.15 2.40 0.066 43. LP ( 1)Tc 1 129. RY (11)Tc 1 0.40 3.72 0.049 43. LP ( 1)Tc 1 130. RY (12)Tc 1 0.53 3.51 0.054 43. LP ( 1)Tc 1 131. RY (13)Tc 1 0.93 5.95 0.094 43. LP ( 1)Tc 1 132. RY (14)Tc 1 1.11 5.38 0.097 43. LP ( 1)Tc 1 138. RY (20)Tc 1 1.10 4.81 0.092 43. LP ( 1)Tc 1 141. RY (23)Tc 1 0.29 3.61 0.041 43. LP ( 1)Tc 1 152. RY (34)Tc 1 0.33 5.32 0.053 43. LP ( 1)Tc 1 156. RY (38)Tc 1 0.31 3.58 0.042 43. LP ( 1)Tc 1 161. RY (43)Tc 1 0.27 3.96 0.041 43. LP ( 1)Tc 1 164. RY (46)Tc 1 0.28 11.82 0.073 43. LP ( 1)Tc 1 169. RY (51)Tc 1 0.27 23.72 0.101 43. LP ( 1)Tc 1 192. RY (74)Tc 1 0.86 5.51 0.087 43. LP ( 1)Tc 1 658. RY ( 1) P 10 3.61 1.79 0.102 43. LP ( 1)Tc 1 662. RY ( 5) P 10 0.61 2.08 0.045 43. LP ( 1)Tc 1 663. RY ( 6) P 10 0.30 1.53 0.027 43. LP ( 1)Tc 1 665. RY ( 8) P 10 1.20 2.54 0.070 43. LP ( 1)Tc 1 669. RY (12) P 10 0.33 3.05 0.040 43. LP ( 1)Tc 1 674. RY (17) P 10 0.45 3.23 0.048 43. LP ( 1)Tc 1 676. RY (19) P 10 1.02 4.78 0.088 43. LP ( 1)Tc 1 678. RY (21) P 10 0.31 3.85 0.043 43. LP ( 1)Tc 1 719. RY ( 1) C 11 0.49 2.31 0.043 43. LP ( 1)Tc 1 721. RY ( 3) C 11 0.39 2.32 0.038 43. LP ( 1)Tc 1 771. RY ( 1) C 12 0.55 1.66 0.038 43. LP ( 1)Tc 1 773. RY ( 3) C 12 0.75 2.79 0.058 43. LP ( 1)Tc 1 927. RY ( 1) C 15 0.76 1.74 0.046 43. LP ( 1)Tc 1 929. RY ( 3) C 15 0.72 2.80 0.057 44. LP ( 2)Tc 1 93. BD*( 1) C 7- P 10 1.78 0.38 0.033 44. LP ( 2)Tc 1 97. BD*( 1) C 8- P 10 0.40 0.38 0.016 44. LP ( 2)Tc 1 101. BD*( 1) C 9- P 10 0.46 0.38 0.017 44. LP ( 2)Tc 1 115. 3Cn( 1)Tc1-C12-C13 1.71 0.24 0.026 44. LP ( 2)Tc 1 116. 3Cn( 1)Tc1-C14-C15 2.18 0.23 0.029 44. LP ( 2)Tc 1 117. 3C*( 1)Tc1-C12-C13 4.45 0.25 0.042 44. LP ( 2)Tc 1 118. 3C*( 1)Tc1-C14-C15 4.58 0.24 0.042 44. LP ( 2)Tc 1 659. RY ( 2) P 10 1.15 1.60 0.054 44. LP ( 2)Tc 1 664. RY ( 7) P 10 0.74 1.43 0.041 44. LP ( 2)Tc 1 771. RY ( 1) C 12 0.74 1.66 0.044 44. LP ( 2)Tc 1 823. RY ( 1) C 13 0.37 1.70 0.031 44. LP ( 2)Tc 1 875. RY ( 1) C 14 0.40 1.77 0.034 44. LP ( 2)Tc 1 927. RY ( 1) C 15 0.95 1.73 0.051 57. LP ( 1) C 11 87. LV ( 1)Tc 1 2.74 0.76 0.058 57. LP ( 1) C 11 88. BD*( 1)Tc 1- P 10 30.24 0.21 0.100 57. LP ( 1) C 11 105. BD*( 1) C 11- C 12 1.55 0.59 0.038 57. LP ( 1) C 11 106. BD*( 1) C 11- C 15 1.53 0.59 0.038 57. LP ( 1) C 11 115. 3Cn( 1)Tc1-C12-C13 9.11 0.18 0.052 57. LP ( 1) C 11 116. 3Cn( 1)Tc1-C14-C15 10.42 0.17 0.054 57. LP ( 1) C 11 117. 3C*( 1)Tc1-C12-C13 20.08 0.19 0.078 57. LP ( 1) C 11 118. 3C*( 1)Tc1-C14-C15 20.63 0.18 0.077 57. LP ( 1) C 11 119. RY ( 1)Tc 1 0.59 2.49 0.049 57. LP ( 1) C 11 120. RY ( 2)Tc 1 1.49 2.72 0.080 57. LP ( 1) C 11 124. RY ( 6)Tc 1 0.80 3.15 0.064 57. LP ( 1) C 11 125. RY ( 7)Tc 1 0.40 2.89 0.043 57. LP ( 1) C 11 126. RY ( 8)Tc 1 0.31 2.34 0.034 57. LP ( 1) C 11 127. RY ( 9)Tc 1 0.30 2.25 0.033 57. LP ( 1) C 11 129. RY (11)Tc 1 0.44 3.65 0.050 57. LP ( 1) C 11 131. RY (13)Tc 1 0.40 5.88 0.061 57. LP ( 1) C 11 132. RY (14)Tc 1 0.68 5.32 0.076 57. LP ( 1) C 11 138. RY (20)Tc 1 0.97 4.75 0.086 57. LP ( 1) C 11 141. RY (23)Tc 1 0.31 3.55 0.042 57. LP ( 1) C 11 151. RY (33)Tc 1 0.27 4.59 0.044 57. LP ( 1) C 11 192. RY (74)Tc 1 0.35 5.44 0.055 57. LP ( 1) C 11 662. RY ( 5) P 10 0.54 2.02 0.042 57. LP ( 1) C 11 665. RY ( 8) P 10 0.38 2.47 0.039 57. LP ( 1) C 11 674. RY (17) P 10 0.27 3.17 0.037 57. LP ( 1) C 11 676. RY (19) P 10 0.58 4.71 0.066 57. LP ( 1) C 11 721. RY ( 3) C 11 0.41 2.26 0.038 57. LP ( 1) C 11 722. RY ( 4) C 11 1.58 1.51 0.062 57. LP ( 1) C 11 723. RY ( 5) C 11 0.39 2.73 0.041 57. LP ( 1) C 11 726. RY ( 8) C 11 0.70 2.67 0.054 57. LP ( 1) C 11 728. RY (10) C 11 0.93 2.71 0.063 57. LP ( 1) C 11 730. RY (12) C 11 0.92 3.83 0.075 57. LP ( 1) C 11 752. RY (34) C 11 0.35 5.22 0.054 57. LP ( 1) C 11 771. RY ( 1) C 12 0.63 1.60 0.040 57. LP ( 1) C 11 774. RY ( 4) C 12 1.00 2.70 0.066 57. LP ( 1) C 11 778. RY ( 8) C 12 0.38 2.93 0.042 57. LP ( 1) C 11 783. RY (13) C 12 0.27 4.40 0.043 57. LP ( 1) C 11 927. RY ( 1) C 15 0.76 1.68 0.045 57. LP ( 1) C 11 930. RY ( 4) C 15 0.93 2.89 0.066 57. LP ( 1) C 11 934. RY ( 8) C 15 0.33 3.11 0.040 57. LP ( 1) C 11 938. RY (12) C 15 0.30 4.32 0.046 57. LP ( 1) C 11 1242. RY ( 3) H 25 0.39 2.65 0.041 57. LP ( 1) C 11 1243. RY ( 4) H 25 0.31 1.84 0.030 57. LP ( 1) C 11 1244. RY ( 5) H 25 0.29 3.37 0.039 58. BD ( 1)Tc 1- P 10 87. LV ( 1)Tc 1 0.33 0.99 0.023 58. BD ( 1)Tc 1- P 10 93. BD*( 1) C 7- P 10 0.55 0.55 0.022 58. BD ( 1)Tc 1- P 10 94. BD*( 1) C 7- H 16 0.71 0.71 0.028 58. BD ( 1)Tc 1- P 10 97. BD*( 1) C 8- P 10 0.41 0.56 0.019 58. BD ( 1)Tc 1- P 10 98. BD*( 1) C 8- H 19 0.67 0.71 0.028 58. BD ( 1)Tc 1- P 10 101. BD*( 1) C 9- P 10 0.62 0.56 0.023 58. BD ( 1)Tc 1- P 10 102. BD*( 1) C 9- H 22 0.74 0.71 0.029 58. BD ( 1)Tc 1- P 10 115. 3Cn( 1)Tc1-C12-C13 0.62 0.42 0.020 58. BD ( 1)Tc 1- P 10 116. 3Cn( 1)Tc1-C14-C15 0.66 0.41 0.021 58. BD ( 1)Tc 1- P 10 119. RY ( 1)Tc 1 0.86 2.73 0.061 58. BD ( 1)Tc 1- P 10 120. RY ( 2)Tc 1 0.46 2.95 0.046 58. BD ( 1)Tc 1- P 10 126. RY ( 8)Tc 1 0.33 2.57 0.037 58. BD ( 1)Tc 1- P 10 131. RY (13)Tc 1 0.37 6.12 0.060 58. BD ( 1)Tc 1- P 10 132. RY (14)Tc 1 0.67 5.55 0.077 58. BD ( 1)Tc 1- P 10 138. RY (20)Tc 1 0.35 4.98 0.053 58. BD ( 1)Tc 1- P 10 140. RY (22)Tc 1 0.26 3.34 0.037 58. BD ( 1)Tc 1- P 10 554. RY ( 1) C 8 0.30 2.75 0.036 58. BD ( 1)Tc 1- P 10 719. RY ( 1) C 11 0.47 2.47 0.043 58. BD ( 1)Tc 1- P 10 823. RY ( 1) C 13 0.57 1.87 0.041 58. BD ( 1)Tc 1- P 10 875. RY ( 1) C 14 0.94 1.94 0.054 63. BD ( 1) C 7- P 10 88. BD*( 1)Tc 1- P 10 0.42 0.56 0.019 63. BD ( 1) C 7- P 10 97. BD*( 1) C 8- P 10 0.49 0.68 0.023 63. BD ( 1) C 7- P 10 100. BD*( 1) C 8- H 21 0.57 0.84 0.028 63. BD ( 1) C 7- P 10 101. BD*( 1) C 9- P 10 0.55 0.67 0.024 63. BD ( 1) C 7- P 10 103. BD*( 1) C 9- H 23 0.60 0.83 0.028 63. BD ( 1) C 7- P 10 554. RY ( 1) C 8 0.75 2.87 0.059 63. BD ( 1) C 7- P 10 555. RY ( 2) C 8 0.27 2.45 0.033 63. BD ( 1) C 7- P 10 561. RY ( 8) C 8 0.28 1.94 0.030 63. BD ( 1) C 7- P 10 606. RY ( 1) C 9 0.72 3.25 0.061 63. BD ( 1) C 7- P 10 613. RY ( 8) C 9 0.25 1.55 0.025 63. BD ( 1) C 7- P 10 677. RY (20) P 10 0.31 4.98 0.049 63. BD ( 1) C 7- P 10 981. RY ( 3) H 16 0.34 3.50 0.044 63. BD ( 1) C 7- P 10 1039. RY ( 3) H 18 0.29 3.84 0.042 64. BD ( 1) C 7- H 16 88. BD*( 1)Tc 1- P 10 0.83 0.55 0.027 64. BD ( 1) C 7- H 16 1008. RY ( 1) H 17 0.42 3.32 0.047 64. BD ( 1) C 7- H 16 1037. RY ( 1) H 18 0.43 3.18 0.047 65. BD ( 1) C 7- H 17 97. BD*( 1) C 8- P 10 0.95 0.67 0.032 65. BD ( 1) C 7- H 17 660. RY ( 3) P 10 0.32 1.82 0.030 65. BD ( 1) C 7- H 17 980. RY ( 2) H 16 0.37 3.26 0.044 66. BD ( 1) C 7- H 18 101. BD*( 1) C 9- P 10 0.87 0.66 0.030 66. BD ( 1) C 7- H 18 660. RY ( 3) P 10 0.40 1.82 0.034 66. BD ( 1) C 7- H 18 980. RY ( 2) H 16 0.34 3.26 0.042 67. BD ( 1) C 8- P 10 88. BD*( 1)Tc 1- P 10 0.48 0.56 0.021 67. BD ( 1) C 8- P 10 93. BD*( 1) C 7- P 10 0.54 0.67 0.024 67. BD ( 1) C 8- P 10 95. BD*( 1) C 7- H 17 0.58 0.83 0.028 67. BD ( 1) C 8- P 10 101. BD*( 1) C 9- P 10 0.52 0.67 0.024 67. BD ( 1) C 8- P 10 104. BD*( 1) C 9- H 24 0.59 0.82 0.028 67. BD ( 1) C 8- P 10 131. RY (13)Tc 1 0.31 6.23 0.055 67. BD ( 1) C 8- P 10 137. RY (19)Tc 1 0.30 3.31 0.040 67. BD ( 1) C 8- P 10 142. RY (24)Tc 1 0.26 3.81 0.039 67. BD ( 1) C 8- P 10 502. RY ( 1) C 7 0.76 3.15 0.062 67. BD ( 1) C 8- P 10 504. RY ( 3) C 7 0.28 1.83 0.029 67. BD ( 1) C 8- P 10 509. RY ( 8) C 7 0.29 1.78 0.029 67. BD ( 1) C 8- P 10 606. RY ( 1) C 9 0.77 3.24 0.063 67. BD ( 1) C 8- P 10 613. RY ( 8) C 9 0.36 1.55 0.030 67. BD ( 1) C 8- P 10 665. RY ( 8) P 10 0.57 2.82 0.051 67. BD ( 1) C 8- P 10 677. RY (20) P 10 0.27 4.98 0.046 67. BD ( 1) C 8- P 10 1068. RY ( 3) H 19 0.31 3.66 0.043 67. BD ( 1) C 8- P 10 1125. RY ( 2) H 21 0.29 3.33 0.039 68. BD ( 1) C 8- H 19 88. BD*( 1)Tc 1- P 10 0.84 0.55 0.027 68. BD ( 1) C 8- H 19 1095. RY ( 1) H 20 0.40 3.08 0.044 68. BD ( 1) C 8- H 19 1124. RY ( 1) H 21 0.39 3.16 0.044 69. BD ( 1) C 8- H 20 101. BD*( 1) C 9- P 10 1.06 0.66 0.033 69. BD ( 1) C 8- H 20 661. RY ( 4) P 10 0.34 1.78 0.031 69. BD ( 1) C 8- H 20 1067. RY ( 2) H 19 0.35 3.30 0.043 69. BD ( 1) C 8- H 20 1124. RY ( 1) H 21 0.28 3.16 0.038 70. BD ( 1) C 8- H 21 93. BD*( 1) C 7- P 10 0.90 0.66 0.031 70. BD ( 1) C 8- H 21 660. RY ( 3) P 10 0.30 1.82 0.029 70. BD ( 1) C 8- H 21 1067. RY ( 2) H 19 0.37 3.31 0.044 71. BD ( 1) C 9- P 10 88. BD*( 1)Tc 1- P 10 0.45 0.56 0.020 71. BD ( 1) C 9- P 10 93. BD*( 1) C 7- P 10 0.52 0.67 0.024 71. BD ( 1) C 9- P 10 96. BD*( 1) C 7- H 18 0.56 0.84 0.027 71. BD ( 1) C 9- P 10 97. BD*( 1) C 8- P 10 0.53 0.68 0.024 71. BD ( 1) C 9- P 10 99. BD*( 1) C 8- H 20 0.53 0.84 0.027 71. BD ( 1) C 9- P 10 131. RY (13)Tc 1 0.38 6.24 0.061 71. BD ( 1) C 9- P 10 142. RY (24)Tc 1 0.31 3.82 0.044 71. BD ( 1) C 9- P 10 502. RY ( 1) C 7 0.91 3.15 0.068 71. BD ( 1) C 9- P 10 503. RY ( 2) C 7 0.29 2.45 0.034 71. BD ( 1) C 9- P 10 509. RY ( 8) C 7 0.39 1.78 0.033 71. BD ( 1) C 9- P 10 554. RY ( 1) C 8 0.73 2.87 0.058 71. BD ( 1) C 9- P 10 561. RY ( 8) C 8 0.25 1.95 0.028 71. BD ( 1) C 9- P 10 663. RY ( 6) P 10 0.63 1.82 0.043 71. BD ( 1) C 9- P 10 677. RY (20) P 10 0.37 4.98 0.054 71. BD ( 1) C 9- P 10 713. RY (56) P 10 0.30 7.65 0.061 71. BD ( 1) C 9- P 10 1155. RY ( 3) H 22 0.33 3.39 0.042 71. BD ( 1) C 9- P 10 1212. RY ( 2) H 24 0.29 3.44 0.040 72. BD ( 1) C 9- H 22 88. BD*( 1)Tc 1- P 10 0.83 0.56 0.027 72. BD ( 1) C 9- H 22 660. RY ( 3) P 10 0.26 1.83 0.028 72. BD ( 1) C 9- H 22 1182. RY ( 1) H 23 0.41 3.24 0.046 72. BD ( 1) C 9- H 22 1211. RY ( 1) H 24 0.37 3.33 0.044 73. BD ( 1) C 9- H 23 93. BD*( 1) C 7- P 10 0.94 0.67 0.032 73. BD ( 1) C 9- H 23 661. RY ( 4) P 10 0.35 1.79 0.032 73. BD ( 1) C 9- H 23 1154. RY ( 2) H 22 0.33 3.17 0.041 73. BD ( 1) C 9- H 23 1211. RY ( 1) H 24 0.28 3.33 0.039 74. BD ( 1) C 9- H 24 97. BD*( 1) C 8- P 10 0.96 0.67 0.032 74. BD ( 1) C 9- H 24 661. RY ( 4) P 10 0.45 1.79 0.036 74. BD ( 1) C 9- H 24 1154. RY ( 2) H 22 0.37 3.17 0.043 75. BD ( 1) C 11- C 12 88. BD*( 1)Tc 1- P 10 2.18 0.64 0.047 75. BD ( 1) C 11- C 12 111. BD*( 1) C 13- H 27 1.25 0.95 0.043 75. BD ( 1) C 11- C 12 114. BD*( 1) C 15- H 28 1.45 0.96 0.047 75. BD ( 1) C 11- C 12 117. 3C*( 1)Tc1-C12-C13 1.09 0.62 0.033 75. BD ( 1) C 11- C 12 824. RY ( 2) C 13 0.54 2.14 0.043 75. BD ( 1) C 11- C 12 825. RY ( 3) C 13 0.54 2.87 0.049 75. BD ( 1) C 11- C 12 927. RY ( 1) C 15 0.41 2.11 0.037 75. BD ( 1) C 11- C 12 928. RY ( 2) C 15 0.83 2.08 0.053 75. BD ( 1) C 11- C 12 1242. RY ( 3) H 25 0.28 3.09 0.037 75. BD ( 1) C 11- C 12 1270. RY ( 2) H 26 0.51 3.46 0.053 76. BD ( 1) C 11- C 15 88. BD*( 1)Tc 1- P 10 2.60 0.64 0.052 76. BD ( 1) C 11- C 15 109. BD*( 1) C 12- H 26 1.42 0.97 0.047 76. BD ( 1) C 11- C 15 113. BD*( 1) C 14- H 29 1.23 0.96 0.043 76. BD ( 1) C 11- C 15 118. 3C*( 1)Tc1-C14-C15 0.99 0.62 0.031 76. BD ( 1) C 11- C 15 771. RY ( 1) C 12 0.54 2.04 0.042 76. BD ( 1) C 11- C 15 772. RY ( 2) C 12 0.75 2.09 0.050 76. BD ( 1) C 11- C 15 876. RY ( 2) C 14 0.69 2.15 0.049 76. BD ( 1) C 11- C 15 877. RY ( 3) C 14 0.53 2.83 0.049 76. BD ( 1) C 11- C 15 1328. RY ( 2) H 28 0.52 3.53 0.054 77. BD ( 1) C 11- H 25 88. BD*( 1)Tc 1- P 10 1.02 0.56 0.030 77. BD ( 1) C 11- H 25 108. BD*( 1) C 12- C 13 0.94 0.92 0.037 77. BD ( 1) C 11- H 25 112. BD*( 1) C 14- C 15 0.95 0.93 0.037 77. BD ( 1) C 11- H 25 773. RY ( 3) C 12 0.50 3.08 0.050 77. BD ( 1) C 11- H 25 776. RY ( 6) C 12 0.30 4.18 0.045 77. BD ( 1) C 11- H 25 929. RY ( 3) C 15 0.55 3.09 0.052 77. BD ( 1) C 11- H 25 932. RY ( 6) C 15 0.36 5.24 0.055 77. BD ( 1) C 11- H 25 939. RY (13) C 15 0.25 4.64 0.043 78. BD ( 1) C 12- C 13 87. LV ( 1)Tc 1 0.32 1.19 0.025 78. BD ( 1) C 12- C 13 107. BD*( 1) C 11- H 25 1.24 0.97 0.044 78. BD ( 1) C 12- C 13 113. BD*( 1) C 14- H 29 1.23 0.95 0.043 78. BD ( 1) C 12- C 13 115. 3Cn( 1)Tc1-C12-C13 0.27 0.61 0.016 78. BD ( 1) C 12- C 13 720. RY ( 2) C 11 1.12 1.97 0.059 78. BD ( 1) C 12- C 13 876. RY ( 2) C 14 1.10 2.14 0.061 78. BD ( 1) C 12- C 13 1269. RY ( 1) H 26 0.25 1.95 0.028 78. BD ( 1) C 12- C 13 1271. RY ( 3) H 26 0.32 3.33 0.041 78. BD ( 1) C 12- C 13 1299. RY ( 2) H 27 0.33 3.16 0.041 79. BD ( 1) C 12- H 26 87. LV ( 1)Tc 1 0.51 1.12 0.030 79. BD ( 1) C 12- H 26 106. BD*( 1) C 11- C 15 0.95 0.95 0.038 79. BD ( 1) C 12- H 26 110. BD*( 1) C 13- C 14 0.95 0.91 0.037 79. BD ( 1) C 12- H 26 117. 3C*( 1)Tc1-C12-C13 0.39 0.55 0.018 79. BD ( 1) C 12- H 26 721. RY ( 3) C 11 0.72 2.62 0.055 79. BD ( 1) C 12- H 26 824. RY ( 2) C 13 0.30 2.06 0.031 79. BD ( 1) C 12- H 26 825. RY ( 3) C 13 0.46 2.79 0.045 79. BD ( 1) C 12- H 26 830. RY ( 8) C 13 0.27 3.48 0.038 80. BD ( 1) C 13- C 14 109. BD*( 1) C 12- H 26 1.29 0.94 0.044 80. BD ( 1) C 13- C 14 114. BD*( 1) C 15- H 28 1.28 0.94 0.044 80. BD ( 1) C 13- C 14 115. 3Cn( 1)Tc1-C12-C13 2.46 0.60 0.048 80. BD ( 1) C 13- C 14 116. 3Cn( 1)Tc1-C14-C15 2.53 0.59 0.049 80. BD ( 1) C 13- C 14 117. 3C*( 1)Tc1-C12-C13 0.74 0.60 0.027 80. BD ( 1) C 13- C 14 118. 3C*( 1)Tc1-C14-C15 0.81 0.59 0.028 80. BD ( 1) C 13- C 14 772. RY ( 2) C 12 1.07 2.06 0.059 80. BD ( 1) C 13- C 14 928. RY ( 2) C 15 1.11 2.05 0.060 80. BD ( 1) C 13- C 14 1300. RY ( 3) H 27 0.34 3.89 0.046 80. BD ( 1) C 13- C 14 1357. RY ( 2) H 29 0.35 3.93 0.047 81. BD ( 1) C 13- H 27 105. BD*( 1) C 11- C 12 0.87 0.95 0.036 81. BD ( 1) C 13- H 27 112. BD*( 1) C 14- C 15 0.81 0.94 0.035 81. BD ( 1) C 13- H 27 115. 3Cn( 1)Tc1-C12-C13 0.93 0.55 0.029 81. BD ( 1) C 13- H 27 771. RY ( 1) C 12 0.26 1.96 0.028 81. BD ( 1) C 13- H 27 773. RY ( 3) C 12 0.39 3.09 0.044 81. BD ( 1) C 13- H 27 778. RY ( 8) C 12 0.27 3.30 0.038 81. BD ( 1) C 13- H 27 877. RY ( 3) C 14 0.57 2.75 0.050 81. BD ( 1) C 13- H 27 881. RY ( 7) C 14 0.33 5.02 0.052 82. BD ( 1) C 14- C 15 87. LV ( 1)Tc 1 0.34 1.19 0.025 82. BD ( 1) C 14- C 15 107. BD*( 1) C 11- H 25 1.27 0.97 0.044 82. BD ( 1) C 14- C 15 111. BD*( 1) C 13- H 27 1.23 0.94 0.043 82. BD ( 1) C 14- C 15 116. 3Cn( 1)Tc1-C14-C15 0.28 0.60 0.016 82. BD ( 1) C 14- C 15 720. RY ( 2) C 11 1.07 1.97 0.058 82. BD ( 1) C 14- C 15 824. RY ( 2) C 13 1.13 2.13 0.062 82. BD ( 1) C 14- C 15 1329. RY ( 3) H 28 0.36 3.40 0.044 82. BD ( 1) C 14- C 15 1358. RY ( 3) H 29 0.31 3.62 0.042 83. BD ( 1) C 14- H 29 87. LV ( 1)Tc 1 0.26 1.12 0.022 83. BD ( 1) C 14- H 29 106. BD*( 1) C 11- C 15 0.89 0.95 0.037 83. BD ( 1) C 14- H 29 108. BD*( 1) C 12- C 13 0.81 0.93 0.035 83. BD ( 1) C 14- H 29 116. 3Cn( 1)Tc1-C14-C15 0.92 0.54 0.028 83. BD ( 1) C 14- H 29 825. RY ( 3) C 13 0.54 2.79 0.049 83. BD ( 1) C 14- H 29 829. RY ( 7) C 13 0.35 5.17 0.054 83. BD ( 1) C 14- H 29 929. RY ( 3) C 15 0.47 3.09 0.048 83. BD ( 1) C 14- H 29 932. RY ( 6) C 15 0.29 5.25 0.049 83. BD ( 1) C 14- H 29 934. RY ( 8) C 15 0.28 3.47 0.039 84. BD ( 1) C 15- H 28 87. LV ( 1)Tc 1 0.44 1.12 0.028 84. BD ( 1) C 15- H 28 105. BD*( 1) C 11- C 12 0.96 0.95 0.038 84. BD ( 1) C 15- H 28 110. BD*( 1) C 13- C 14 0.97 0.91 0.037 84. BD ( 1) C 15- H 28 118. 3C*( 1)Tc1-C14-C15 0.41 0.54 0.019 84. BD ( 1) C 15- H 28 721. RY ( 3) C 11 0.69 2.61 0.054 84. BD ( 1) C 15- H 28 877. RY ( 3) C 14 0.53 2.75 0.048 85. 3C ( 1)Tc1-C12-C13 87. LV ( 1)Tc 1 9.67 0.95 0.121 85. 3C ( 1)Tc1-C12-C13 88. BD*( 1)Tc 1- P 10 10.70 0.40 0.083 85. 3C ( 1)Tc1-C12-C13 97. BD*( 1) C 8- P 10 0.48 0.52 0.020 85. 3C ( 1)Tc1-C12-C13 105. BD*( 1) C 11- C 12 0.68 0.78 0.029 85. 3C ( 1)Tc1-C12-C13 109. BD*( 1) C 12- H 26 0.53 0.72 0.025 85. 3C ( 1)Tc1-C12-C13 110. BD*( 1) C 13- C 14 2.55 0.74 0.055 85. 3C ( 1)Tc1-C12-C13 111. BD*( 1) C 13- H 27 0.46 0.71 0.023 85. 3C ( 1)Tc1-C12-C13 113. BD*( 1) C 14- H 29 0.68 0.72 0.028 85. 3C ( 1)Tc1-C12-C13 115. 3Cn( 1)Tc1-C12-C13 3.91 0.38 0.049 85. 3C ( 1)Tc1-C12-C13 116. 3Cn( 1)Tc1-C14-C15 9.65 0.37 0.076 85. 3C ( 1)Tc1-C12-C13 117. 3C*( 1)Tc1-C12-C13 1.29 0.38 0.028 85. 3C ( 1)Tc1-C12-C13 118. 3C*( 1)Tc1-C14-C15 27.17 0.38 0.128 85. 3C ( 1)Tc1-C12-C13 119. RY ( 1)Tc 1 5.47 2.69 0.153 85. 3C ( 1)Tc1-C12-C13 120. RY ( 2)Tc 1 8.53 2.91 0.199 85. 3C ( 1)Tc1-C12-C13 121. RY ( 3)Tc 1 0.83 3.01 0.063 85. 3C ( 1)Tc1-C12-C13 122. RY ( 4)Tc 1 0.36 1.60 0.030 85. 3C ( 1)Tc1-C12-C13 124. RY ( 6)Tc 1 4.54 3.35 0.156 85. 3C ( 1)Tc1-C12-C13 125. RY ( 7)Tc 1 5.78 3.09 0.169 85. 3C ( 1)Tc1-C12-C13 126. RY ( 8)Tc 1 3.03 2.53 0.111 85. 3C ( 1)Tc1-C12-C13 127. RY ( 9)Tc 1 1.46 2.44 0.075 85. 3C ( 1)Tc1-C12-C13 129. RY (11)Tc 1 3.78 3.85 0.152 85. 3C ( 1)Tc1-C12-C13 130. RY (12)Tc 1 2.30 3.65 0.116 85. 3C ( 1)Tc1-C12-C13 131. RY (13)Tc 1 3.67 6.08 0.188 85. 3C ( 1)Tc1-C12-C13 132. RY (14)Tc 1 5.98 5.51 0.229 85. 3C ( 1)Tc1-C12-C13 134. RY (16)Tc 1 0.64 2.42 0.050 85. 3C ( 1)Tc1-C12-C13 135. RY (17)Tc 1 0.34 2.86 0.039 85. 3C ( 1)Tc1-C12-C13 138. RY (20)Tc 1 6.26 4.94 0.222 85. 3C ( 1)Tc1-C12-C13 139. RY (21)Tc 1 1.09 3.33 0.076 85. 3C ( 1)Tc1-C12-C13 141. RY (23)Tc 1 1.94 3.75 0.108 85. 3C ( 1)Tc1-C12-C13 144. RY (26)Tc 1 0.31 2.94 0.038 85. 3C ( 1)Tc1-C12-C13 145. RY (27)Tc 1 0.60 3.03 0.054 85. 3C ( 1)Tc1-C12-C13 146. RY (28)Tc 1 1.50 4.32 0.101 85. 3C ( 1)Tc1-C12-C13 147. RY (29)Tc 1 0.37 3.65 0.046 85. 3C ( 1)Tc1-C12-C13 151. RY (33)Tc 1 1.19 4.79 0.095 85. 3C ( 1)Tc1-C12-C13 152. RY (34)Tc 1 1.19 5.45 0.102 85. 3C ( 1)Tc1-C12-C13 156. RY (38)Tc 1 0.79 3.71 0.068 85. 3C ( 1)Tc1-C12-C13 157. RY (39)Tc 1 0.39 5.67 0.060 85. 3C ( 1)Tc1-C12-C13 158. RY (40)Tc 1 0.37 6.16 0.060 85. 3C ( 1)Tc1-C12-C13 161. RY (43)Tc 1 1.19 4.10 0.088 85. 3C ( 1)Tc1-C12-C13 163. RY (45)Tc 1 0.61 5.50 0.073 85. 3C ( 1)Tc1-C12-C13 164. RY (46)Tc 1 0.91 11.95 0.131 85. 3C ( 1)Tc1-C12-C13 165. RY (47)Tc 1 0.45 12.23 0.094 85. 3C ( 1)Tc1-C12-C13 166. RY (48)Tc 1 0.37 8.34 0.071 85. 3C ( 1)Tc1-C12-C13 167. RY (49)Tc 1 1.09 8.76 0.123 85. 3C ( 1)Tc1-C12-C13 168. RY (50)Tc 1 0.77 10.21 0.112 85. 3C ( 1)Tc1-C12-C13 169. RY (51)Tc 1 1.42 23.85 0.233 85. 3C ( 1)Tc1-C12-C13 170. RY (52)Tc 1 0.88 14.27 0.141 85. 3C ( 1)Tc1-C12-C13 171. RY (53)Tc 1 0.30 7.05 0.058 85. 3C ( 1)Tc1-C12-C13 174. RY (56)Tc 1 0.55 8.09 0.084 85. 3C ( 1)Tc1-C12-C13 177. RY (59)Tc 1 0.55 5.44 0.069 85. 3C ( 1)Tc1-C12-C13 185. RY (67)Tc 1 0.53 4.45 0.061 85. 3C ( 1)Tc1-C12-C13 189. RY (71)Tc 1 1.13 5.60 0.100 85. 3C ( 1)Tc1-C12-C13 191. RY (73)Tc 1 0.31 4.71 0.048 85. 3C ( 1)Tc1-C12-C13 192. RY (74)Tc 1 2.34 5.64 0.145 85. 3C ( 1)Tc1-C12-C13 193. RY (75)Tc 1 0.48 4.30 0.057 85. 3C ( 1)Tc1-C12-C13 554. RY ( 1) C 8 0.26 2.72 0.033 85. 3C ( 1)Tc1-C12-C13 606. RY ( 1) C 9 0.28 3.09 0.037 85. 3C ( 1)Tc1-C12-C13 658. RY ( 1) P 10 0.92 1.92 0.053 85. 3C ( 1)Tc1-C12-C13 660. RY ( 3) P 10 0.27 1.68 0.027 85. 3C ( 1)Tc1-C12-C13 662. RY ( 5) P 10 3.70 2.22 0.114 85. 3C ( 1)Tc1-C12-C13 665. RY ( 8) P 10 3.13 2.67 0.115 85. 3C ( 1)Tc1-C12-C13 667. RY (10) P 10 0.67 2.75 0.054 85. 3C ( 1)Tc1-C12-C13 668. RY (11) P 10 0.85 3.19 0.066 85. 3C ( 1)Tc1-C12-C13 669. RY (12) P 10 0.52 3.19 0.051 85. 3C ( 1)Tc1-C12-C13 671. RY (14) P 10 0.83 3.72 0.070 85. 3C ( 1)Tc1-C12-C13 674. RY (17) P 10 1.92 3.36 0.101 85. 3C ( 1)Tc1-C12-C13 675. RY (18) P 10 1.49 2.68 0.080 85. 3C ( 1)Tc1-C12-C13 676. RY (19) P 10 3.96 4.91 0.176 85. 3C ( 1)Tc1-C12-C13 678. RY (21) P 10 1.58 3.98 0.100 85. 3C ( 1)Tc1-C12-C13 719. RY ( 1) C 11 2.78 2.44 0.104 85. 3C ( 1)Tc1-C12-C13 721. RY ( 3) C 11 0.61 2.45 0.049 85. 3C ( 1)Tc1-C12-C13 722. RY ( 4) C 11 1.17 1.71 0.056 85. 3C ( 1)Tc1-C12-C13 723. RY ( 5) C 11 0.46 2.92 0.046 85. 3C ( 1)Tc1-C12-C13 728. RY (10) C 11 0.80 2.91 0.061 85. 3C ( 1)Tc1-C12-C13 730. RY (12) C 11 0.57 4.02 0.060 85. 3C ( 1)Tc1-C12-C13 771. RY ( 1) C 12 0.71 1.80 0.045 85. 3C ( 1)Tc1-C12-C13 773. RY ( 3) C 12 1.60 2.92 0.086 85. 3C ( 1)Tc1-C12-C13 781. RY (11) C 12 0.38 3.30 0.045 85. 3C ( 1)Tc1-C12-C13 823. RY ( 1) C 13 0.75 1.84 0.047 85. 3C ( 1)Tc1-C12-C13 825. RY ( 3) C 13 0.62 2.63 0.051 85. 3C ( 1)Tc1-C12-C13 833. RY (11) C 13 0.30 3.59 0.042 85. 3C ( 1)Tc1-C12-C13 875. RY ( 1) C 14 1.37 1.90 0.064 85. 3C ( 1)Tc1-C12-C13 877. RY ( 3) C 14 0.45 2.58 0.043 85. 3C ( 1)Tc1-C12-C13 878. RY ( 4) C 14 0.81 1.92 0.050 85. 3C ( 1)Tc1-C12-C13 879. RY ( 5) C 14 0.48 3.20 0.050 85. 3C ( 1)Tc1-C12-C13 882. RY ( 8) C 14 0.25 3.20 0.036 85. 3C ( 1)Tc1-C12-C13 889. RY (15) C 14 0.54 4.20 0.060 85. 3C ( 1)Tc1-C12-C13 927. RY ( 1) C 15 2.89 1.87 0.093 85. 3C ( 1)Tc1-C12-C13 928. RY ( 2) C 15 0.34 1.84 0.032 85. 3C ( 1)Tc1-C12-C13 929. RY ( 3) C 15 1.47 2.93 0.083 85. 3C ( 1)Tc1-C12-C13 935. RY ( 9) C 15 0.35 2.81 0.040 85. 3C ( 1)Tc1-C12-C13 937. RY (11) C 15 0.52 3.38 0.053 85. 3C ( 1)Tc1-C12-C13 1066. RY ( 1) H 19 0.27 1.49 0.025 85. 3C ( 1)Tc1-C12-C13 1272. RY ( 4) H 26 0.44 3.36 0.048 85. 3C ( 1)Tc1-C12-C13 1301. RY ( 4) H 27 0.33 3.85 0.045 86. 3C ( 1)Tc1-C14-C15 87. LV ( 1)Tc 1 9.10 0.95 0.117 86. 3C ( 1)Tc1-C14-C15 88. BD*( 1)Tc 1- P 10 8.45 0.40 0.073 86. 3C ( 1)Tc1-C14-C15 97. BD*( 1) C 8- P 10 0.25 0.52 0.014 86. 3C ( 1)Tc1-C14-C15 106. BD*( 1) C 11- C 15 0.64 0.79 0.028 86. 3C ( 1)Tc1-C14-C15 110. BD*( 1) C 13- C 14 2.75 0.74 0.057 86. 3C ( 1)Tc1-C14-C15 111. BD*( 1) C 13- H 27 0.69 0.71 0.028 86. 3C ( 1)Tc1-C14-C15 113. BD*( 1) C 14- H 29 0.41 0.72 0.022 86. 3C ( 1)Tc1-C14-C15 114. BD*( 1) C 15- H 28 0.51 0.72 0.024 86. 3C ( 1)Tc1-C14-C15 115. 3Cn( 1)Tc1-C12-C13 8.20 0.38 0.070 86. 3C ( 1)Tc1-C14-C15 116. 3Cn( 1)Tc1-C14-C15 3.54 0.37 0.046 86. 3C ( 1)Tc1-C14-C15 117. 3C*( 1)Tc1-C12-C13 29.06 0.38 0.133 86. 3C ( 1)Tc1-C14-C15 118. 3C*( 1)Tc1-C14-C15 0.90 0.38 0.023 86. 3C ( 1)Tc1-C14-C15 119. RY ( 1)Tc 1 5.21 2.69 0.149 86. 3C ( 1)Tc1-C14-C15 120. RY ( 2)Tc 1 8.49 2.91 0.198 86. 3C ( 1)Tc1-C14-C15 121. RY ( 3)Tc 1 0.46 3.01 0.047 86. 3C ( 1)Tc1-C14-C15 122. RY ( 4)Tc 1 0.54 1.60 0.037 86. 3C ( 1)Tc1-C14-C15 124. RY ( 6)Tc 1 4.26 3.35 0.151 86. 3C ( 1)Tc1-C14-C15 125. RY ( 7)Tc 1 5.09 3.08 0.158 86. 3C ( 1)Tc1-C14-C15 126. RY ( 8)Tc 1 3.04 2.53 0.111 86. 3C ( 1)Tc1-C14-C15 127. RY ( 9)Tc 1 1.56 2.44 0.078 86. 3C ( 1)Tc1-C14-C15 128. RY (10)Tc 1 0.55 2.65 0.048 86. 3C ( 1)Tc1-C14-C15 129. RY (11)Tc 1 3.20 3.85 0.140 86. 3C ( 1)Tc1-C14-C15 130. RY (12)Tc 1 1.79 3.64 0.102 86. 3C ( 1)Tc1-C14-C15 131. RY (13)Tc 1 3.66 6.08 0.188 86. 3C ( 1)Tc1-C14-C15 132. RY (14)Tc 1 5.36 5.51 0.217 86. 3C ( 1)Tc1-C14-C15 134. RY (16)Tc 1 0.48 2.42 0.043 86. 3C ( 1)Tc1-C14-C15 135. RY (17)Tc 1 0.37 2.86 0.041 86. 3C ( 1)Tc1-C14-C15 138. RY (20)Tc 1 5.48 4.94 0.208 86. 3C ( 1)Tc1-C14-C15 139. RY (21)Tc 1 1.33 3.33 0.084 86. 3C ( 1)Tc1-C14-C15 141. RY (23)Tc 1 2.30 3.75 0.117 86. 3C ( 1)Tc1-C14-C15 144. RY (26)Tc 1 0.48 2.94 0.048 86. 3C ( 1)Tc1-C14-C15 145. RY (27)Tc 1 0.50 3.03 0.049 86. 3C ( 1)Tc1-C14-C15 146. RY (28)Tc 1 1.28 4.32 0.094 86. 3C ( 1)Tc1-C14-C15 147. RY (29)Tc 1 0.66 3.65 0.062 86. 3C ( 1)Tc1-C14-C15 151. RY (33)Tc 1 1.51 4.79 0.107 86. 3C ( 1)Tc1-C14-C15 152. RY (34)Tc 1 1.00 5.45 0.093 86. 3C ( 1)Tc1-C14-C15 156. RY (38)Tc 1 0.85 3.71 0.071 86. 3C ( 1)Tc1-C14-C15 157. RY (39)Tc 1 0.34 5.67 0.055 86. 3C ( 1)Tc1-C14-C15 158. RY (40)Tc 1 0.30 6.16 0.054 86. 3C ( 1)Tc1-C14-C15 161. RY (43)Tc 1 1.02 4.10 0.082 86. 3C ( 1)Tc1-C14-C15 163. RY (45)Tc 1 0.62 5.50 0.074 86. 3C ( 1)Tc1-C14-C15 164. RY (46)Tc 1 0.78 11.95 0.122 86. 3C ( 1)Tc1-C14-C15 165. RY (47)Tc 1 0.37 12.22 0.085 86. 3C ( 1)Tc1-C14-C15 166. RY (48)Tc 1 0.46 8.34 0.078 86. 3C ( 1)Tc1-C14-C15 167. RY (49)Tc 1 0.98 8.76 0.117 86. 3C ( 1)Tc1-C14-C15 168. RY (50)Tc 1 0.72 10.21 0.109 86. 3C ( 1)Tc1-C14-C15 169. RY (51)Tc 1 1.30 23.85 0.222 86. 3C ( 1)Tc1-C14-C15 170. RY (52)Tc 1 0.72 14.26 0.128 86. 3C ( 1)Tc1-C14-C15 171. RY (53)Tc 1 0.29 7.05 0.057 86. 3C ( 1)Tc1-C14-C15 174. RY (56)Tc 1 0.54 8.09 0.084 86. 3C ( 1)Tc1-C14-C15 177. RY (59)Tc 1 0.57 5.44 0.070 86. 3C ( 1)Tc1-C14-C15 185. RY (67)Tc 1 0.59 4.45 0.065 86. 3C ( 1)Tc1-C14-C15 189. RY (71)Tc 1 0.89 5.60 0.089 86. 3C ( 1)Tc1-C14-C15 192. RY (74)Tc 1 2.34 5.64 0.145 86. 3C ( 1)Tc1-C14-C15 193. RY (75)Tc 1 0.48 4.30 0.057 86. 3C ( 1)Tc1-C14-C15 502. RY ( 1) C 7 0.28 2.99 0.037 86. 3C ( 1)Tc1-C14-C15 658. RY ( 1) P 10 0.85 1.92 0.051 86. 3C ( 1)Tc1-C14-C15 662. RY ( 5) P 10 3.63 2.21 0.113 86. 3C ( 1)Tc1-C14-C15 665. RY ( 8) P 10 3.04 2.67 0.114 86. 3C ( 1)Tc1-C14-C15 666. RY ( 9) P 10 0.40 2.47 0.040 86. 3C ( 1)Tc1-C14-C15 667. RY (10) P 10 0.64 2.75 0.053 86. 3C ( 1)Tc1-C14-C15 668. RY (11) P 10 0.77 3.19 0.063 86. 3C ( 1)Tc1-C14-C15 669. RY (12) P 10 0.55 3.18 0.053 86. 3C ( 1)Tc1-C14-C15 671. RY (14) P 10 0.76 3.72 0.067 86. 3C ( 1)Tc1-C14-C15 674. RY (17) P 10 1.90 3.36 0.101 86. 3C ( 1)Tc1-C14-C15 675. RY (18) P 10 1.35 2.68 0.076 86. 3C ( 1)Tc1-C14-C15 676. RY (19) P 10 3.75 4.91 0.171 86. 3C ( 1)Tc1-C14-C15 678. RY (21) P 10 1.27 3.98 0.090 86. 3C ( 1)Tc1-C14-C15 680. RY (23) P 10 0.28 4.52 0.045 86. 3C ( 1)Tc1-C14-C15 719. RY ( 1) C 11 2.64 2.44 0.101 86. 3C ( 1)Tc1-C14-C15 721. RY ( 3) C 11 0.57 2.45 0.047 86. 3C ( 1)Tc1-C14-C15 722. RY ( 4) C 11 1.11 1.71 0.055 86. 3C ( 1)Tc1-C14-C15 723. RY ( 5) C 11 0.42 2.92 0.044 86. 3C ( 1)Tc1-C14-C15 728. RY (10) C 11 0.77 2.91 0.060 86. 3C ( 1)Tc1-C14-C15 730. RY (12) C 11 0.55 4.02 0.059 86. 3C ( 1)Tc1-C14-C15 771. RY ( 1) C 12 2.12 1.79 0.078 86. 3C ( 1)Tc1-C14-C15 772. RY ( 2) C 12 0.60 1.85 0.042 86. 3C ( 1)Tc1-C14-C15 773. RY ( 3) C 12 1.52 2.92 0.084 86. 3C ( 1)Tc1-C14-C15 781. RY (11) C 12 0.46 3.29 0.049 86. 3C ( 1)Tc1-C14-C15 823. RY ( 1) C 13 0.79 1.83 0.048 86. 3C ( 1)Tc1-C14-C15 824. RY ( 2) C 13 0.28 1.89 0.029 86. 3C ( 1)Tc1-C14-C15 825. RY ( 3) C 13 0.44 2.62 0.043 86. 3C ( 1)Tc1-C14-C15 826. RY ( 4) C 13 0.40 1.97 0.035 86. 3C ( 1)Tc1-C14-C15 827. RY ( 5) C 13 0.62 3.12 0.055 86. 3C ( 1)Tc1-C14-C15 836. RY (14) C 13 0.40 3.78 0.049 86. 3C ( 1)Tc1-C14-C15 875. RY ( 1) C 14 1.18 1.90 0.060 86. 3C ( 1)Tc1-C14-C15 877. RY ( 3) C 14 0.58 2.58 0.049 86. 3C ( 1)Tc1-C14-C15 927. RY ( 1) C 15 1.08 1.87 0.057 86. 3C ( 1)Tc1-C14-C15 929. RY ( 3) C 15 1.50 2.93 0.084 86. 3C ( 1)Tc1-C14-C15 937. RY (11) C 15 0.44 3.38 0.049 86. 3C ( 1)Tc1-C14-C15 1330. RY ( 4) H 28 0.41 3.35 0.047 86. 3C ( 1)Tc1-C14-C15 1359. RY ( 4) H 29 0.33 3.75 0.044 from unit 1 to unit 2 43. LP ( 1)Tc 1 89. BD*( 1) S 2- S 3 0.14 0.24 0.007 43. LP ( 1)Tc 1 90. BD*( 1) S 3- S 4 0.04 0.23 0.004 43. LP ( 1)Tc 1 91. BD*( 1) S 4- S 5 0.05 0.23 0.004 43. LP ( 1)Tc 1 92. BD*( 1) S 5- S 6 0.19 0.24 0.009 43. LP ( 1)Tc 1 197. RY ( 1) S 2 0.68 1.09 0.034 43. LP ( 1)Tc 1 198. RY ( 2) S 2 0.29 1.28 0.024 43. LP ( 1)Tc 1 199. RY ( 3) S 2 0.73 1.33 0.039 43. LP ( 1)Tc 1 200. RY ( 4) S 2 0.05 1.30 0.010 43. LP ( 1)Tc 1 201. RY ( 5) S 2 1.19 3.22 0.078 43. LP ( 1)Tc 1 202. RY ( 6) S 2 0.72 2.37 0.052 43. LP ( 1)Tc 1 204. RY ( 8) S 2 1.05 3.17 0.073 43. LP ( 1)Tc 1 208. RY (12) S 2 0.14 2.16 0.022 43. LP ( 1)Tc 1 210. RY (14) S 2 0.03 1.69 0.009 43. LP ( 1)Tc 1 211. RY (15) S 2 0.10 2.80 0.021 43. LP ( 1)Tc 1 213. RY (17) S 2 0.09 2.89 0.020 43. LP ( 1)Tc 1 216. RY (20) S 2 0.12 2.89 0.024 43. LP ( 1)Tc 1 260. RY ( 3) S 3 0.06 0.81 0.009 43. LP ( 1)Tc 1 261. RY ( 4) S 3 0.11 0.98 0.013 43. LP ( 1)Tc 1 263. RY ( 6) S 3 0.03 1.78 0.009 43. LP ( 1)Tc 1 269. RY (12) S 3 0.04 1.98 0.011 43. LP ( 1)Tc 1 382. RY ( 3) S 5 0.07 0.80 0.009 43. LP ( 1)Tc 1 383. RY ( 4) S 5 0.11 0.97 0.013 43. LP ( 1)Tc 1 385. RY ( 6) S 5 0.03 1.74 0.009 43. LP ( 1)Tc 1 391. RY (12) S 5 0.03 1.98 0.009 43. LP ( 1)Tc 1 441. RY ( 1) S 6 0.81 1.09 0.037 43. LP ( 1)Tc 1 442. RY ( 2) S 6 0.54 1.32 0.034 43. LP ( 1)Tc 1 443. RY ( 3) S 6 0.43 1.40 0.031 43. LP ( 1)Tc 1 444. RY ( 4) S 6 0.13 1.19 0.015 43. LP ( 1)Tc 1 445. RY ( 5) S 6 1.10 3.11 0.074 43. LP ( 1)Tc 1 446. RY ( 6) S 6 0.86 2.55 0.059 43. LP ( 1)Tc 1 448. RY ( 8) S 6 1.03 2.83 0.068 43. LP ( 1)Tc 1 452. RY (12) S 6 0.04 2.23 0.012 43. LP ( 1)Tc 1 453. RY (13) S 6 0.11 1.88 0.018 43. LP ( 1)Tc 1 455. RY (15) S 6 0.10 3.32 0.023 43. LP ( 1)Tc 1 457. RY (17) S 6 0.05 2.58 0.014 43. LP ( 1)Tc 1 460. RY (20) S 6 0.08 3.30 0.020 43. LP ( 1)Tc 1 468. RY (28) S 6 0.03 4.46 0.014 43. LP ( 1)Tc 1 483. RY (43) S 6 0.03 3.04 0.012 44. LP ( 2)Tc 1 89. BD*( 1) S 2- S 3 2.01 0.23 0.027 44. LP ( 2)Tc 1 92. BD*( 1) S 5- S 6 1.77 0.24 0.026 44. LP ( 2)Tc 1 197. RY ( 1) S 2 0.81 1.08 0.037 44. LP ( 2)Tc 1 198. RY ( 2) S 2 0.04 1.28 0.009 44. LP ( 2)Tc 1 199. RY ( 3) S 2 0.03 1.33 0.008 44. LP ( 2)Tc 1 203. RY ( 7) S 2 0.06 1.97 0.013 44. LP ( 2)Tc 1 205. RY ( 9) S 2 0.11 2.08 0.019 44. LP ( 2)Tc 1 209. RY (13) S 2 0.07 1.57 0.013 44. LP ( 2)Tc 1 250. RY (54) S 2 0.03 15.05 0.026 44. LP ( 2)Tc 1 260. RY ( 3) S 3 0.11 0.80 0.012 44. LP ( 2)Tc 1 262. RY ( 5) S 3 0.13 1.63 0.018 44. LP ( 2)Tc 1 263. RY ( 6) S 3 0.10 1.78 0.017 44. LP ( 2)Tc 1 266. RY ( 9) S 3 0.04 2.05 0.012 44. LP ( 2)Tc 1 289. RY (32) S 3 0.03 3.61 0.012 44. LP ( 2)Tc 1 304. RY (47) S 3 0.03 2.33 0.011 44. LP ( 2)Tc 1 382. RY ( 3) S 5 0.10 0.80 0.011 44. LP ( 2)Tc 1 384. RY ( 5) S 5 0.12 1.66 0.018 44. LP ( 2)Tc 1 385. RY ( 6) S 5 0.08 1.74 0.015 44. LP ( 2)Tc 1 388. RY ( 9) S 5 0.04 2.10 0.011 44. LP ( 2)Tc 1 411. RY (32) S 5 0.03 3.83 0.012 44. LP ( 2)Tc 1 441. RY ( 1) S 6 0.65 1.09 0.034 44. LP ( 2)Tc 1 443. RY ( 3) S 6 0.10 1.40 0.015 44. LP ( 2)Tc 1 445. RY ( 5) S 6 0.04 3.10 0.013 44. LP ( 2)Tc 1 447. RY ( 7) S 6 0.04 2.06 0.011 44. LP ( 2)Tc 1 449. RY ( 9) S 6 0.08 2.36 0.017 44. LP ( 2)Tc 1 453. RY (13) S 6 0.07 1.87 0.015 57. LP ( 1) C 11 89. BD*( 1) S 2- S 3 0.06 0.17 0.004 57. LP ( 1) C 11 92. BD*( 1) S 5- S 6 0.04 0.18 0.003 57. LP ( 1) C 11 198. RY ( 2) S 2 0.07 1.22 0.011 57. LP ( 1) C 11 199. RY ( 3) S 2 0.10 1.27 0.014 57. LP ( 1) C 11 201. RY ( 5) S 2 0.48 3.16 0.049 57. LP ( 1) C 11 202. RY ( 6) S 2 0.30 2.31 0.033 57. LP ( 1) C 11 204. RY ( 8) S 2 0.42 3.10 0.046 57. LP ( 1) C 11 211. RY (15) S 2 0.03 2.73 0.011 57. LP ( 1) C 11 213. RY (17) S 2 0.08 2.83 0.019 57. LP ( 1) C 11 216. RY (20) S 2 0.04 2.83 0.013 57. LP ( 1) C 11 258. RY ( 1) S 3 0.03 0.82 0.006 57. LP ( 1) C 11 264. RY ( 7) S 3 0.06 1.65 0.012 57. LP ( 1) C 11 380. RY ( 1) S 5 0.04 0.82 0.007 57. LP ( 1) C 11 386. RY ( 7) S 5 0.05 1.65 0.012 57. LP ( 1) C 11 442. RY ( 2) S 6 0.10 1.25 0.014 57. LP ( 1) C 11 443. RY ( 3) S 6 0.07 1.34 0.012 57. LP ( 1) C 11 445. RY ( 5) S 6 0.46 3.04 0.047 57. LP ( 1) C 11 446. RY ( 6) S 6 0.34 2.48 0.037 57. LP ( 1) C 11 448. RY ( 8) S 6 0.39 2.76 0.041 57. LP ( 1) C 11 455. RY (15) S 6 0.03 3.26 0.012 57. LP ( 1) C 11 459. RY (19) S 6 0.05 2.60 0.014 57. LP ( 1) C 11 460. RY (20) S 6 0.03 3.24 0.012 58. BD ( 1)Tc 1- P 10 89. BD*( 1) S 2- S 3 0.44 0.41 0.017 58. BD ( 1)Tc 1- P 10 92. BD*( 1) S 5- S 6 0.48 0.41 0.018 58. BD ( 1)Tc 1- P 10 199. RY ( 3) S 2 0.18 1.50 0.021 58. BD ( 1)Tc 1- P 10 201. RY ( 5) S 2 0.86 3.39 0.068 58. BD ( 1)Tc 1- P 10 202. RY ( 6) S 2 0.34 2.54 0.037 58. BD ( 1)Tc 1- P 10 204. RY ( 8) S 2 0.51 3.34 0.052 58. BD ( 1)Tc 1- P 10 205. RY ( 9) S 2 0.05 2.26 0.014 58. BD ( 1)Tc 1- P 10 207. RY (11) S 2 0.04 2.01 0.012 58. BD ( 1)Tc 1- P 10 208. RY (12) S 2 0.05 2.32 0.014 58. BD ( 1)Tc 1- P 10 258. RY ( 1) S 3 0.03 1.05 0.007 58. BD ( 1)Tc 1- P 10 263. RY ( 6) S 3 0.04 1.95 0.011 58. BD ( 1)Tc 1- P 10 264. RY ( 7) S 3 0.07 1.89 0.015 58. BD ( 1)Tc 1- P 10 267. RY (10) S 3 0.03 2.05 0.010 58. BD ( 1)Tc 1- P 10 269. RY (12) S 3 0.03 2.15 0.010 58. BD ( 1)Tc 1- P 10 380. RY ( 1) S 5 0.03 1.05 0.007 58. BD ( 1)Tc 1- P 10 385. RY ( 6) S 5 0.03 1.91 0.009 58. BD ( 1)Tc 1- P 10 386. RY ( 7) S 5 0.05 1.88 0.012 58. BD ( 1)Tc 1- P 10 442. RY ( 2) S 6 0.03 1.48 0.008 58. BD ( 1)Tc 1- P 10 443. RY ( 3) S 6 0.15 1.57 0.019 58. BD ( 1)Tc 1- P 10 445. RY ( 5) S 6 0.75 3.28 0.063 58. BD ( 1)Tc 1- P 10 446. RY ( 6) S 6 0.39 2.72 0.041 58. BD ( 1)Tc 1- P 10 448. RY ( 8) S 6 0.56 3.00 0.052 58. BD ( 1)Tc 1- P 10 449. RY ( 9) S 6 0.04 2.54 0.012 58. BD ( 1)Tc 1- P 10 459. RY (19) S 6 0.03 2.83 0.011 63. BD ( 1) C 7- P 10 92. BD*( 1) S 5- S 6 0.03 0.53 0.005 63. BD ( 1) C 7- P 10 205. RY ( 9) S 2 0.04 2.37 0.012 63. BD ( 1) C 7- P 10 210. RY (14) S 2 0.04 1.98 0.011 63. BD ( 1) C 7- P 10 441. RY ( 1) S 6 0.04 1.38 0.009 63. BD ( 1) C 7- P 10 446. RY ( 6) S 6 0.03 2.84 0.011 66. BD ( 1) C 7- H 18 92. BD*( 1) S 5- S 6 0.21 0.52 0.013 66. BD ( 1) C 7- H 18 445. RY ( 5) S 6 0.03 3.38 0.013 67. BD ( 1) C 8- P 10 197. RY ( 1) S 2 0.03 1.38 0.008 67. BD ( 1) C 8- P 10 202. RY ( 6) S 2 0.06 2.66 0.016 67. BD ( 1) C 8- P 10 446. RY ( 6) S 6 0.04 2.83 0.014 70. BD ( 1) C 8- H 21 89. BD*( 1) S 2- S 3 0.11 0.51 0.010 78. BD ( 1) C 12- C 13 199. RY ( 3) S 2 0.03 1.70 0.008 85. 3C ( 1)Tc1-C12-C13 197. RY ( 1) S 2 0.03 1.22 0.007 85. 3C ( 1)Tc1-C12-C13 198. RY ( 2) S 2 0.51 1.41 0.034 85. 3C ( 1)Tc1-C12-C13 199. RY ( 3) S 2 0.09 1.47 0.014 85. 3C ( 1)Tc1-C12-C13 200. RY ( 4) S 2 0.03 1.44 0.008 85. 3C ( 1)Tc1-C12-C13 201. RY ( 5) S 2 3.49 3.35 0.137 85. 3C ( 1)Tc1-C12-C13 202. RY ( 6) S 2 0.98 2.50 0.063 85. 3C ( 1)Tc1-C12-C13 203. RY ( 7) S 2 0.13 2.11 0.021 85. 3C ( 1)Tc1-C12-C13 204. RY ( 8) S 2 4.36 3.30 0.151 85. 3C ( 1)Tc1-C12-C13 205. RY ( 9) S 2 0.05 2.22 0.013 85. 3C ( 1)Tc1-C12-C13 208. RY (12) S 2 0.09 2.29 0.018 85. 3C ( 1)Tc1-C12-C13 209. RY (13) S 2 0.04 1.70 0.010 85. 3C ( 1)Tc1-C12-C13 211. RY (15) S 2 0.23 2.93 0.033 85. 3C ( 1)Tc1-C12-C13 212. RY (16) S 2 0.05 2.08 0.012 85. 3C ( 1)Tc1-C12-C13 213. RY (17) S 2 0.53 3.02 0.050 85. 3C ( 1)Tc1-C12-C13 215. RY (19) S 2 0.03 2.97 0.012 85. 3C ( 1)Tc1-C12-C13 216. RY (20) S 2 0.14 3.03 0.026 85. 3C ( 1)Tc1-C12-C13 227. RY (31) S 2 0.03 4.86 0.015 85. 3C ( 1)Tc1-C12-C13 229. RY (33) S 2 0.04 3.87 0.016 85. 3C ( 1)Tc1-C12-C13 233. RY (37) S 2 0.14 3.91 0.029 85. 3C ( 1)Tc1-C12-C13 237. RY (41) S 2 0.04 4.45 0.017 85. 3C ( 1)Tc1-C12-C13 259. RY ( 2) S 3 0.03 0.99 0.007 85. 3C ( 1)Tc1-C12-C13 261. RY ( 4) S 3 0.07 1.12 0.011 85. 3C ( 1)Tc1-C12-C13 264. RY ( 7) S 3 0.07 1.85 0.014 85. 3C ( 1)Tc1-C12-C13 267. RY (10) S 3 0.03 2.01 0.009 85. 3C ( 1)Tc1-C12-C13 268. RY (11) S 3 0.03 2.32 0.011 85. 3C ( 1)Tc1-C12-C13 269. RY (12) S 3 0.07 2.11 0.016 85. 3C ( 1)Tc1-C12-C13 319. RY ( 1) S 4 0.05 1.08 0.009 85. 3C ( 1)Tc1-C12-C13 322. RY ( 4) S 4 0.05 1.04 0.009 85. 3C ( 1)Tc1-C12-C13 324. RY ( 6) S 4 0.09 2.03 0.017 85. 3C ( 1)Tc1-C12-C13 328. RY (10) S 4 0.03 2.89 0.012 85. 3C ( 1)Tc1-C12-C13 332. RY (14) S 4 0.08 2.40 0.018 85. 3C ( 1)Tc1-C12-C13 381. RY ( 2) S 5 0.04 0.99 0.008 85. 3C ( 1)Tc1-C12-C13 383. RY ( 4) S 5 0.07 1.11 0.011 85. 3C ( 1)Tc1-C12-C13 384. RY ( 5) S 5 0.07 1.79 0.014 85. 3C ( 1)Tc1-C12-C13 386. RY ( 7) S 5 0.14 1.84 0.020 85. 3C ( 1)Tc1-C12-C13 388. RY ( 9) S 5 0.03 2.24 0.011 85. 3C ( 1)Tc1-C12-C13 389. RY (10) S 5 0.03 2.02 0.011 85. 3C ( 1)Tc1-C12-C13 393. RY (14) S 5 0.08 3.05 0.020 85. 3C ( 1)Tc1-C12-C13 421. RY (42) S 5 0.03 5.25 0.016 85. 3C ( 1)Tc1-C12-C13 441. RY ( 1) S 6 0.13 1.22 0.016 85. 3C ( 1)Tc1-C12-C13 442. RY ( 2) S 6 0.92 1.45 0.046 85. 3C ( 1)Tc1-C12-C13 443. RY ( 3) S 6 0.45 1.53 0.033 85. 3C ( 1)Tc1-C12-C13 444. RY ( 4) S 6 0.12 1.32 0.016 85. 3C ( 1)Tc1-C12-C13 445. RY ( 5) S 6 5.22 3.24 0.164 85. 3C ( 1)Tc1-C12-C13 446. RY ( 6) S 6 2.45 2.68 0.102 85. 3C ( 1)Tc1-C12-C13 447. RY ( 7) S 6 0.12 2.19 0.021 85. 3C ( 1)Tc1-C12-C13 448. RY ( 8) S 6 4.22 2.96 0.141 85. 3C ( 1)Tc1-C12-C13 449. RY ( 9) S 6 0.03 2.50 0.011 85. 3C ( 1)Tc1-C12-C13 450. RY (10) S 6 0.11 2.25 0.020 85. 3C ( 1)Tc1-C12-C13 452. RY (12) S 6 0.13 2.37 0.022 85. 3C ( 1)Tc1-C12-C13 455. RY (15) S 6 0.32 3.45 0.042 85. 3C ( 1)Tc1-C12-C13 457. RY (17) S 6 0.06 2.71 0.016 85. 3C ( 1)Tc1-C12-C13 459. RY (19) S 6 0.35 2.80 0.039 85. 3C ( 1)Tc1-C12-C13 460. RY (20) S 6 0.20 3.44 0.033 85. 3C ( 1)Tc1-C12-C13 470. RY (30) S 6 0.04 5.18 0.018 85. 3C ( 1)Tc1-C12-C13 480. RY (40) S 6 0.06 3.77 0.019 85. 3C ( 1)Tc1-C12-C13 483. RY (43) S 6 0.07 3.17 0.019 86. 3C ( 1)Tc1-C14-C15 197. RY ( 1) S 2 0.10 1.22 0.014 86. 3C ( 1)Tc1-C14-C15 198. RY ( 2) S 2 0.51 1.41 0.034 86. 3C ( 1)Tc1-C14-C15 199. RY ( 3) S 2 0.72 1.46 0.041 86. 3C ( 1)Tc1-C14-C15 200. RY ( 4) S 2 0.05 1.43 0.011 86. 3C ( 1)Tc1-C14-C15 201. RY ( 5) S 2 5.32 3.35 0.168 86. 3C ( 1)Tc1-C14-C15 202. RY ( 6) S 2 1.84 2.50 0.086 86. 3C ( 1)Tc1-C14-C15 203. RY ( 7) S 2 0.12 2.10 0.020 86. 3C ( 1)Tc1-C14-C15 204. RY ( 8) S 2 4.15 3.30 0.148 86. 3C ( 1)Tc1-C14-C15 206. RY (10) S 2 0.04 2.33 0.012 86. 3C ( 1)Tc1-C14-C15 207. RY (11) S 2 0.04 1.97 0.011 86. 3C ( 1)Tc1-C14-C15 208. RY (12) S 2 0.05 2.29 0.013 86. 3C ( 1)Tc1-C14-C15 209. RY (13) S 2 0.05 1.70 0.011 86. 3C ( 1)Tc1-C14-C15 210. RY (14) S 2 0.03 1.82 0.009 86. 3C ( 1)Tc1-C14-C15 211. RY (15) S 2 0.33 2.93 0.039 86. 3C ( 1)Tc1-C14-C15 212. RY (16) S 2 0.05 2.07 0.013 86. 3C ( 1)Tc1-C14-C15 213. RY (17) S 2 0.43 3.02 0.045 86. 3C ( 1)Tc1-C14-C15 215. RY (19) S 2 0.04 2.97 0.013 86. 3C ( 1)Tc1-C14-C15 216. RY (20) S 2 0.17 3.02 0.029 86. 3C ( 1)Tc1-C14-C15 229. RY (33) S 2 0.03 3.87 0.013 86. 3C ( 1)Tc1-C14-C15 233. RY (37) S 2 0.08 3.90 0.022 86. 3C ( 1)Tc1-C14-C15 237. RY (41) S 2 0.03 4.44 0.014 86. 3C ( 1)Tc1-C14-C15 259. RY ( 2) S 3 0.04 0.99 0.008 86. 3C ( 1)Tc1-C14-C15 261. RY ( 4) S 3 0.06 1.11 0.010 86. 3C ( 1)Tc1-C14-C15 262. RY ( 5) S 3 0.10 1.77 0.017 86. 3C ( 1)Tc1-C14-C15 264. RY ( 7) S 3 0.16 1.85 0.021 86. 3C ( 1)Tc1-C14-C15 266. RY ( 9) S 3 0.03 2.19 0.010 86. 3C ( 1)Tc1-C14-C15 269. RY (12) S 3 0.06 2.11 0.015 86. 3C ( 1)Tc1-C14-C15 271. RY (14) S 3 0.05 2.83 0.015 86. 3C ( 1)Tc1-C14-C15 319. RY ( 1) S 4 0.04 1.08 0.008 86. 3C ( 1)Tc1-C14-C15 322. RY ( 4) S 4 0.05 1.04 0.009 86. 3C ( 1)Tc1-C14-C15 324. RY ( 6) S 4 0.09 2.02 0.017 86. 3C ( 1)Tc1-C14-C15 329. RY (11) S 4 0.03 2.91 0.012 86. 3C ( 1)Tc1-C14-C15 332. RY (14) S 4 0.08 2.40 0.017 86. 3C ( 1)Tc1-C14-C15 380. RY ( 1) S 5 0.03 1.01 0.007 86. 3C ( 1)Tc1-C14-C15 383. RY ( 4) S 5 0.08 1.10 0.011 86. 3C ( 1)Tc1-C14-C15 386. RY ( 7) S 5 0.06 1.84 0.013 86. 3C ( 1)Tc1-C14-C15 389. RY (10) S 5 0.04 2.02 0.012 86. 3C ( 1)Tc1-C14-C15 390. RY (11) S 5 0.03 2.30 0.011 86. 3C ( 1)Tc1-C14-C15 391. RY (12) S 5 0.03 2.11 0.011 86. 3C ( 1)Tc1-C14-C15 393. RY (14) S 5 0.03 3.05 0.011 86. 3C ( 1)Tc1-C14-C15 441. RY ( 1) S 6 0.05 1.22 0.010 86. 3C ( 1)Tc1-C14-C15 442. RY ( 2) S 6 0.74 1.45 0.041 86. 3C ( 1)Tc1-C14-C15 443. RY ( 3) S 6 0.04 1.53 0.010 86. 3C ( 1)Tc1-C14-C15 445. RY ( 5) S 6 3.22 3.24 0.129 86. 3C ( 1)Tc1-C14-C15 446. RY ( 6) S 6 1.32 2.68 0.075 86. 3C ( 1)Tc1-C14-C15 447. RY ( 7) S 6 0.06 2.19 0.015 86. 3C ( 1)Tc1-C14-C15 448. RY ( 8) S 6 4.03 2.96 0.138 86. 3C ( 1)Tc1-C14-C15 450. RY (10) S 6 0.09 2.25 0.018 86. 3C ( 1)Tc1-C14-C15 452. RY (12) S 6 0.16 2.36 0.025 86. 3C ( 1)Tc1-C14-C15 455. RY (15) S 6 0.27 3.45 0.038 86. 3C ( 1)Tc1-C14-C15 457. RY (17) S 6 0.06 2.71 0.017 86. 3C ( 1)Tc1-C14-C15 459. RY (19) S 6 0.29 2.79 0.036 86. 3C ( 1)Tc1-C14-C15 460. RY (20) S 6 0.19 3.44 0.032 86. 3C ( 1)Tc1-C14-C15 470. RY (30) S 6 0.06 5.18 0.021 86. 3C ( 1)Tc1-C14-C15 480. RY (40) S 6 0.09 3.77 0.023 86. 3C ( 1)Tc1-C14-C15 483. RY (43) S 6 0.13 3.17 0.025 from unit 2 to unit 1 45. LP ( 1) S 2 87. LV ( 1)Tc 1 4.81 1.10 0.092 45. LP ( 1) S 2 88. BD*( 1)Tc 1- P 10 0.04 0.55 0.006 45. LP ( 1) S 2 93. BD*( 1) C 7- P 10 0.09 0.66 0.010 45. LP ( 1) S 2 98. BD*( 1) C 8- H 19 0.05 0.82 0.008 45. LP ( 1) S 2 115. 3Cn( 1)Tc1-C12-C13 3.93 0.53 0.058 45. LP ( 1) S 2 116. 3Cn( 1)Tc1-C14-C15 0.06 0.52 0.007 45. LP ( 1) S 2 117. 3C*( 1)Tc1-C12-C13 1.00 0.53 0.029 45. LP ( 1) S 2 118. 3C*( 1)Tc1-C14-C15 0.03 0.52 0.005 45. LP ( 1) S 2 119. RY ( 1)Tc 1 0.10 2.84 0.021 45. LP ( 1) S 2 123. RY ( 5)Tc 1 0.13 2.12 0.021 45. LP ( 1) S 2 124. RY ( 6)Tc 1 0.04 3.50 0.014 45. LP ( 1) S 2 126. RY ( 8)Tc 1 0.18 2.68 0.028 45. LP ( 1) S 2 127. RY ( 9)Tc 1 0.04 2.59 0.013 45. LP ( 1) S 2 134. RY (16)Tc 1 0.05 2.57 0.014 45. LP ( 1) S 2 137. RY (19)Tc 1 0.03 3.31 0.013 45. LP ( 1) S 2 138. RY (20)Tc 1 0.13 5.09 0.032 45. LP ( 1) S 2 141. RY (23)Tc 1 0.17 3.89 0.032 45. LP ( 1) S 2 142. RY (24)Tc 1 0.03 3.81 0.013 45. LP ( 1) S 2 143. RY (25)Tc 1 0.03 2.85 0.011 45. LP ( 1) S 2 164. RY (46)Tc 1 0.03 12.10 0.025 45. LP ( 1) S 2 165. RY (47)Tc 1 0.05 12.37 0.031 45. LP ( 1) S 2 168. RY (50)Tc 1 0.03 10.36 0.022 45. LP ( 1) S 2 169. RY (51)Tc 1 0.04 24.00 0.040 45. LP ( 1) S 2 170. RY (52)Tc 1 0.03 14.41 0.028 45. LP ( 1) S 2 175. RY (57)Tc 1 0.07 11.70 0.035 45. LP ( 1) S 2 195. RY (77)Tc 1 0.05 5.24 0.020 45. LP ( 1) S 2 662. RY ( 5) P 10 0.05 2.36 0.013 45. LP ( 1) S 2 665. RY ( 8) P 10 0.09 2.82 0.020 45. LP ( 1) S 2 674. RY (17) P 10 0.05 3.51 0.017 45. LP ( 1) S 2 675. RY (18) P 10 0.03 2.83 0.011 45. LP ( 1) S 2 676. RY (19) P 10 0.05 5.06 0.019 45. LP ( 1) S 2 678. RY (21) P 10 0.05 4.13 0.019 45. LP ( 1) S 2 719. RY ( 1) C 11 0.07 2.59 0.018 45. LP ( 1) S 2 773. RY ( 3) C 12 0.05 3.07 0.015 45. LP ( 1) S 2 875. RY ( 1) C 14 0.04 2.05 0.012 45. LP ( 1) S 2 929. RY ( 3) C 15 0.05 3.08 0.015 46. LP ( 2) S 2 87. LV ( 1)Tc 1 2.55 0.85 0.059 46. LP ( 2) S 2 88. BD*( 1)Tc 1- P 10 0.03 0.30 0.004 46. LP ( 2) S 2 93. BD*( 1) C 7- P 10 0.03 0.42 0.004 46. LP ( 2) S 2 97. BD*( 1) C 8- P 10 0.07 0.42 0.007 46. LP ( 2) S 2 98. BD*( 1) C 8- H 19 0.10 0.57 0.010 46. LP ( 2) S 2 106. BD*( 1) C 11- C 15 0.03 0.69 0.005 46. LP ( 2) S 2 114. BD*( 1) C 15- H 28 0.03 0.63 0.005 46. LP ( 2) S 2 115. 3Cn( 1)Tc1-C12-C13 14.65 0.28 0.081 46. LP ( 2) S 2 116. 3Cn( 1)Tc1-C14-C15 1.65 0.27 0.027 46. LP ( 2) S 2 117. 3C*( 1)Tc1-C12-C13 6.88 0.29 0.056 46. LP ( 2) S 2 118. 3C*( 1)Tc1-C14-C15 0.30 0.28 0.011 46. LP ( 2) S 2 119. RY ( 1)Tc 1 0.14 2.59 0.024 46. LP ( 2) S 2 120. RY ( 2)Tc 1 1.54 2.81 0.083 46. LP ( 2) S 2 123. RY ( 5)Tc 1 0.22 1.87 0.026 46. LP ( 2) S 2 124. RY ( 6)Tc 1 0.55 3.25 0.053 46. LP ( 2) S 2 125. RY ( 7)Tc 1 0.06 2.99 0.016 46. LP ( 2) S 2 126. RY ( 8)Tc 1 1.56 2.43 0.078 46. LP ( 2) S 2 127. RY ( 9)Tc 1 0.18 2.35 0.026 46. LP ( 2) S 2 129. RY (11)Tc 1 0.29 3.75 0.042 46. LP ( 2) S 2 130. RY (12)Tc 1 0.28 3.55 0.040 46. LP ( 2) S 2 131. RY (13)Tc 1 0.48 5.98 0.068 46. LP ( 2) S 2 132. RY (14)Tc 1 0.75 5.41 0.080 46. LP ( 2) S 2 134. RY (16)Tc 1 0.06 2.32 0.015 46. LP ( 2) S 2 137. RY (19)Tc 1 0.08 3.06 0.019 46. LP ( 2) S 2 138. RY (20)Tc 1 1.07 4.85 0.091 46. LP ( 2) S 2 139. RY (21)Tc 1 0.26 3.23 0.037 46. LP ( 2) S 2 141. RY (23)Tc 1 0.35 3.65 0.045 46. LP ( 2) S 2 144. RY (26)Tc 1 0.06 2.84 0.016 46. LP ( 2) S 2 145. RY (27)Tc 1 0.03 2.93 0.012 46. LP ( 2) S 2 146. RY (28)Tc 1 0.18 4.22 0.034 46. LP ( 2) S 2 147. RY (29)Tc 1 0.09 3.55 0.022 46. LP ( 2) S 2 149. RY (31)Tc 1 0.03 3.84 0.014 46. LP ( 2) S 2 151. RY (33)Tc 1 0.23 4.69 0.041 46. LP ( 2) S 2 152. RY (34)Tc 1 0.11 5.35 0.031 46. LP ( 2) S 2 156. RY (38)Tc 1 0.05 3.61 0.017 46. LP ( 2) S 2 161. RY (43)Tc 1 0.12 4.00 0.028 46. LP ( 2) S 2 163. RY (45)Tc 1 0.06 5.40 0.023 46. LP ( 2) S 2 164. RY (46)Tc 1 0.07 11.85 0.037 46. LP ( 2) S 2 165. RY (47)Tc 1 0.03 12.13 0.025 46. LP ( 2) S 2 166. RY (48)Tc 1 0.03 8.24 0.020 46. LP ( 2) S 2 167. RY (49)Tc 1 0.09 8.66 0.035 46. LP ( 2) S 2 168. RY (50)Tc 1 0.06 10.11 0.030 46. LP ( 2) S 2 169. RY (51)Tc 1 0.11 23.75 0.065 46. LP ( 2) S 2 170. RY (52)Tc 1 0.07 14.17 0.038 46. LP ( 2) S 2 171. RY (53)Tc 1 0.05 6.95 0.022 46. LP ( 2) S 2 173. RY (55)Tc 1 0.03 5.69 0.018 46. LP ( 2) S 2 174. RY (56)Tc 1 0.05 7.99 0.025 46. LP ( 2) S 2 177. RY (59)Tc 1 0.05 5.34 0.020 46. LP ( 2) S 2 184. RY (66)Tc 1 0.09 4.84 0.026 46. LP ( 2) S 2 188. RY (70)Tc 1 0.04 4.11 0.015 46. LP ( 2) S 2 189. RY (71)Tc 1 0.07 5.50 0.024 46. LP ( 2) S 2 191. RY (73)Tc 1 0.14 4.61 0.033 46. LP ( 2) S 2 192. RY (74)Tc 1 0.44 5.54 0.063 46. LP ( 2) S 2 193. RY (75)Tc 1 0.09 4.20 0.025 46. LP ( 2) S 2 195. RY (77)Tc 1 0.07 4.99 0.024 46. LP ( 2) S 2 554. RY ( 1) C 8 0.04 2.62 0.013 46. LP ( 2) S 2 559. RY ( 6) C 8 0.03 1.65 0.009 46. LP ( 2) S 2 606. RY ( 1) C 9 0.04 2.99 0.013 46. LP ( 2) S 2 658. RY ( 1) P 10 0.13 1.82 0.019 46. LP ( 2) S 2 662. RY ( 5) P 10 0.38 2.12 0.036 46. LP ( 2) S 2 665. RY ( 8) P 10 0.33 2.57 0.037 46. LP ( 2) S 2 666. RY ( 9) P 10 0.04 2.37 0.013 46. LP ( 2) S 2 667. RY (10) P 10 0.07 2.65 0.018 46. LP ( 2) S 2 668. RY (11) P 10 0.05 3.10 0.015 46. LP ( 2) S 2 669. RY (12) P 10 0.10 3.09 0.022 46. LP ( 2) S 2 671. RY (14) P 10 0.13 3.62 0.027 46. LP ( 2) S 2 674. RY (17) P 10 0.49 3.26 0.050 46. LP ( 2) S 2 675. RY (18) P 10 0.29 2.58 0.035 46. LP ( 2) S 2 676. RY (19) P 10 0.49 4.81 0.061 46. LP ( 2) S 2 678. RY (21) P 10 0.20 3.88 0.035 46. LP ( 2) S 2 688. RY (31) P 10 0.03 4.45 0.015 46. LP ( 2) S 2 719. RY ( 1) C 11 0.25 2.34 0.030 46. LP ( 2) S 2 721. RY ( 3) C 11 0.07 2.35 0.016 46. LP ( 2) S 2 722. RY ( 4) C 11 0.04 1.61 0.010 46. LP ( 2) S 2 723. RY ( 5) C 11 0.03 2.83 0.012 46. LP ( 2) S 2 728. RY (10) C 11 0.11 2.81 0.022 46. LP ( 2) S 2 730. RY (12) C 11 0.04 3.92 0.016 46. LP ( 2) S 2 771. RY ( 1) C 12 0.16 1.70 0.021 46. LP ( 2) S 2 772. RY ( 2) C 12 0.04 1.75 0.011 46. LP ( 2) S 2 773. RY ( 3) C 12 0.25 2.82 0.034 46. LP ( 2) S 2 774. RY ( 4) C 12 0.04 2.80 0.013 46. LP ( 2) S 2 775. RY ( 5) C 12 0.03 2.42 0.010 46. LP ( 2) S 2 779. RY ( 9) C 12 0.04 2.94 0.014 46. LP ( 2) S 2 781. RY (11) C 12 0.13 3.20 0.026 46. LP ( 2) S 2 823. RY ( 1) C 13 0.26 1.74 0.027 46. LP ( 2) S 2 824. RY ( 2) C 13 0.03 1.80 0.010 46. LP ( 2) S 2 825. RY ( 3) C 13 0.17 2.53 0.026 46. LP ( 2) S 2 826. RY ( 4) C 13 0.08 1.88 0.016 46. LP ( 2) S 2 828. RY ( 6) C 13 0.05 3.42 0.016 46. LP ( 2) S 2 830. RY ( 8) C 13 0.04 3.22 0.014 46. LP ( 2) S 2 833. RY (11) C 13 0.04 3.49 0.014 46. LP ( 2) S 2 836. RY (14) C 13 0.06 3.69 0.019 46. LP ( 2) S 2 875. RY ( 1) C 14 0.13 1.80 0.019 46. LP ( 2) S 2 876. RY ( 2) C 14 0.04 1.81 0.010 46. LP ( 2) S 2 877. RY ( 3) C 14 0.03 2.48 0.011 46. LP ( 2) S 2 885. RY (11) C 14 0.03 3.25 0.012 46. LP ( 2) S 2 889. RY (15) C 14 0.03 4.10 0.013 46. LP ( 2) S 2 905. RY (31) C 14 0.03 5.19 0.015 46. LP ( 2) S 2 927. RY ( 1) C 15 0.13 1.77 0.019 46. LP ( 2) S 2 929. RY ( 3) C 15 0.17 2.83 0.028 46. LP ( 2) S 2 937. RY (11) C 15 0.04 3.28 0.015 46. LP ( 2) S 2 979. RY ( 1) H 16 0.03 1.55 0.008 46. LP ( 2) S 2 1066. RY ( 1) H 19 0.05 1.39 0.011 46. LP ( 2) S 2 1127. RY ( 4) H 21 0.03 1.56 0.008 46. LP ( 2) S 2 1156. RY ( 4) H 22 0.03 1.64 0.008 47. LP ( 3) S 2 87. LV ( 1)Tc 1 64.51 0.86 0.297 47. LP ( 3) S 2 88. BD*( 1)Tc 1- P 10 0.67 0.31 0.018 47. LP ( 3) S 2 93. BD*( 1) C 7- P 10 0.25 0.42 0.013 47. LP ( 3) S 2 94. BD*( 1) C 7- H 16 0.06 0.58 0.007 47. LP ( 3) S 2 97. BD*( 1) C 8- P 10 0.61 0.43 0.020 47. LP ( 3) S 2 101. BD*( 1) C 9- P 10 0.04 0.42 0.005 47. LP ( 3) S 2 110. BD*( 1) C 13- C 14 0.04 0.65 0.006 47. LP ( 3) S 2 114. BD*( 1) C 15- H 28 0.04 0.63 0.006 47. LP ( 3) S 2 115. 3Cn( 1)Tc1-C12-C13 53.10 0.29 0.156 47. LP ( 3) S 2 116. 3Cn( 1)Tc1-C14-C15 0.98 0.28 0.021 47. LP ( 3) S 2 117. 3C*( 1)Tc1-C12-C13 17.92 0.29 0.091 47. LP ( 3) S 2 118. 3C*( 1)Tc1-C14-C15 1.20 0.28 0.023 47. LP ( 3) S 2 119. RY ( 1)Tc 1 4.55 2.59 0.137 47. LP ( 3) S 2 120. RY ( 2)Tc 1 14.13 2.82 0.252 47. LP ( 3) S 2 121. RY ( 3)Tc 1 0.03 2.92 0.011 47. LP ( 3) S 2 122. RY ( 4)Tc 1 0.45 1.51 0.033 47. LP ( 3) S 2 123. RY ( 5)Tc 1 0.38 1.88 0.034 47. LP ( 3) S 2 124. RY ( 6)Tc 1 5.44 3.26 0.168 47. LP ( 3) S 2 125. RY ( 7)Tc 1 4.61 2.99 0.148 47. LP ( 3) S 2 126. RY ( 8)Tc 1 11.79 2.44 0.214 47. LP ( 3) S 2 127. RY ( 9)Tc 1 2.94 2.35 0.105 47. LP ( 3) S 2 128. RY (10)Tc 1 0.88 2.56 0.060 47. LP ( 3) S 2 129. RY (11)Tc 1 2.80 3.75 0.130 47. LP ( 3) S 2 130. RY (12)Tc 1 7.80 3.55 0.210 47. LP ( 3) S 2 131. RY (13)Tc 1 4.31 5.98 0.203 47. LP ( 3) S 2 132. RY (14)Tc 1 9.81 5.42 0.291 47. LP ( 3) S 2 133. RY (15)Tc 1 0.09 2.73 0.019 47. LP ( 3) S 2 134. RY (16)Tc 1 0.52 2.33 0.044 47. LP ( 3) S 2 135. RY (17)Tc 1 0.51 2.76 0.047 47. LP ( 3) S 2 137. RY (19)Tc 1 0.19 3.06 0.030 47. LP ( 3) S 2 138. RY (20)Tc 1 8.66 4.85 0.259 47. LP ( 3) S 2 139. RY (21)Tc 1 1.17 3.23 0.078 47. LP ( 3) S 2 140. RY (22)Tc 1 0.23 3.21 0.034 47. LP ( 3) S 2 141. RY (23)Tc 1 4.11 3.65 0.155 47. LP ( 3) S 2 142. RY (24)Tc 1 0.04 3.56 0.014 47. LP ( 3) S 2 143. RY (25)Tc 1 0.05 2.60 0.014 47. LP ( 3) S 2 144. RY (26)Tc 1 0.18 2.85 0.029 47. LP ( 3) S 2 145. RY (27)Tc 1 0.82 2.94 0.062 47. LP ( 3) S 2 146. RY (28)Tc 1 1.90 4.23 0.113 47. LP ( 3) S 2 147. RY (29)Tc 1 0.76 3.56 0.065 47. LP ( 3) S 2 149. RY (31)Tc 1 0.28 3.85 0.041 47. LP ( 3) S 2 150. RY (32)Tc 1 0.08 4.17 0.023 47. LP ( 3) S 2 151. RY (33)Tc 1 2.22 4.69 0.129 47. LP ( 3) S 2 152. RY (34)Tc 1 1.83 5.36 0.125 47. LP ( 3) S 2 154. RY (36)Tc 1 0.40 3.99 0.050 47. LP ( 3) S 2 155. RY (37)Tc 1 0.09 4.51 0.026 47. LP ( 3) S 2 156. RY (38)Tc 1 1.34 3.61 0.088 47. LP ( 3) S 2 157. RY (39)Tc 1 0.15 5.58 0.037 47. LP ( 3) S 2 158. RY (40)Tc 1 0.15 6.07 0.038 47. LP ( 3) S 2 161. RY (43)Tc 1 1.78 4.00 0.106 47. LP ( 3) S 2 162. RY (44)Tc 1 0.20 4.75 0.039 47. LP ( 3) S 2 163. RY (45)Tc 1 0.64 5.40 0.074 47. LP ( 3) S 2 164. RY (46)Tc 1 0.89 11.86 0.129 47. LP ( 3) S 2 165. RY (47)Tc 1 0.40 12.13 0.088 47. LP ( 3) S 2 166. RY (48)Tc 1 0.48 8.25 0.079 47. LP ( 3) S 2 167. RY (49)Tc 1 1.19 8.66 0.128 47. LP ( 3) S 2 168. RY (50)Tc 1 0.88 10.12 0.119 47. LP ( 3) S 2 169. RY (51)Tc 1 1.65 23.76 0.250 47. LP ( 3) S 2 170. RY (52)Tc 1 0.87 14.17 0.140 47. LP ( 3) S 2 171. RY (53)Tc 1 0.61 6.95 0.082 47. LP ( 3) S 2 173. RY (55)Tc 1 0.25 5.70 0.048 47. LP ( 3) S 2 174. RY (56)Tc 1 0.64 8.00 0.091 47. LP ( 3) S 2 176. RY (58)Tc 1 0.05 4.57 0.020 47. LP ( 3) S 2 177. RY (59)Tc 1 0.63 5.34 0.073 47. LP ( 3) S 2 178. RY (60)Tc 1 0.08 5.34 0.026 47. LP ( 3) S 2 179. RY (61)Tc 1 0.03 4.04 0.013 47. LP ( 3) S 2 180. RY (62)Tc 1 0.03 3.51 0.014 47. LP ( 3) S 2 181. RY (63)Tc 1 0.07 4.60 0.022 47. LP ( 3) S 2 183. RY (65)Tc 1 0.13 5.73 0.034 47. LP ( 3) S 2 184. RY (66)Tc 1 0.48 4.84 0.061 47. LP ( 3) S 2 185. RY (67)Tc 1 0.77 4.35 0.073 47. LP ( 3) S 2 186. RY (68)Tc 1 0.06 5.20 0.022 47. LP ( 3) S 2 187. RY (69)Tc 1 0.17 4.65 0.035 47. LP ( 3) S 2 188. RY (70)Tc 1 0.43 4.11 0.053 47. LP ( 3) S 2 189. RY (71)Tc 1 0.77 5.51 0.082 47. LP ( 3) S 2 191. RY (73)Tc 1 1.12 4.61 0.091 47. LP ( 3) S 2 192. RY (74)Tc 1 4.43 5.55 0.198 47. LP ( 3) S 2 193. RY (75)Tc 1 1.58 4.21 0.103 47. LP ( 3) S 2 194. RY (76)Tc 1 0.15 3.64 0.030 47. LP ( 3) S 2 195. RY (77)Tc 1 0.30 5.00 0.049 47. LP ( 3) S 2 502. RY ( 1) C 7 0.28 2.90 0.036 47. LP ( 3) S 2 503. RY ( 2) C 7 0.04 2.20 0.011 47. LP ( 3) S 2 504. RY ( 3) C 7 0.03 1.58 0.009 47. LP ( 3) S 2 505. RY ( 4) C 7 0.05 1.73 0.012 47. LP ( 3) S 2 506. RY ( 5) C 7 0.03 1.55 0.009 47. LP ( 3) S 2 507. RY ( 6) C 7 0.03 1.81 0.009 47. LP ( 3) S 2 509. RY ( 8) C 7 0.16 1.53 0.020 47. LP ( 3) S 2 510. RY ( 9) C 7 0.03 2.76 0.012 47. LP ( 3) S 2 514. RY (13) C 7 0.17 2.69 0.027 47. LP ( 3) S 2 538. RY (37) C 7 0.06 4.87 0.022 47. LP ( 3) S 2 541. RY (40) C 7 0.11 3.25 0.023 47. LP ( 3) S 2 542. RY (41) C 7 0.04 3.18 0.015 47. LP ( 3) S 2 554. RY ( 1) C 8 0.32 2.62 0.036 47. LP ( 3) S 2 557. RY ( 4) C 8 0.03 1.69 0.009 47. LP ( 3) S 2 559. RY ( 6) C 8 0.06 1.65 0.013 47. LP ( 3) S 2 561. RY ( 8) C 8 0.05 1.70 0.012 47. LP ( 3) S 2 562. RY ( 9) C 8 0.10 2.49 0.019 47. LP ( 3) S 2 566. RY (13) C 8 0.04 3.22 0.015 47. LP ( 3) S 2 567. RY (14) C 8 0.16 3.75 0.031 47. LP ( 3) S 2 590. RY (37) C 8 0.03 3.84 0.013 47. LP ( 3) S 2 592. RY (39) C 8 0.04 4.28 0.017 47. LP ( 3) S 2 593. RY (40) C 8 0.03 2.87 0.013 47. LP ( 3) S 2 606. RY ( 1) C 9 0.39 3.00 0.043 47. LP ( 3) S 2 607. RY ( 2) C 9 0.03 2.15 0.010 47. LP ( 3) S 2 613. RY ( 8) C 9 0.15 1.30 0.017 47. LP ( 3) S 2 614. RY ( 9) C 9 0.04 2.26 0.012 47. LP ( 3) S 2 617. RY (12) C 9 0.09 2.55 0.019 47. LP ( 3) S 2 618. RY (13) C 9 0.03 3.49 0.013 47. LP ( 3) S 2 619. RY (14) C 9 0.13 2.99 0.025 47. LP ( 3) S 2 620. RY (15) C 9 0.21 4.28 0.038 47. LP ( 3) S 2 646. RY (41) C 9 0.05 3.39 0.017 47. LP ( 3) S 2 658. RY ( 1) P 10 1.35 1.83 0.063 47. LP ( 3) S 2 660. RY ( 3) P 10 0.14 1.58 0.019 47. LP ( 3) S 2 662. RY ( 5) P 10 4.89 2.12 0.129 47. LP ( 3) S 2 663. RY ( 6) P 10 0.06 1.56 0.012 47. LP ( 3) S 2 664. RY ( 7) P 10 0.03 1.47 0.008 47. LP ( 3) S 2 665. RY ( 8) P 10 4.42 2.57 0.135 47. LP ( 3) S 2 666. RY ( 9) P 10 0.77 2.37 0.054 47. LP ( 3) S 2 667. RY (10) P 10 0.97 2.66 0.064 47. LP ( 3) S 2 668. RY (11) P 10 1.00 3.10 0.070 47. LP ( 3) S 2 669. RY (12) P 10 1.06 3.09 0.072 47. LP ( 3) S 2 670. RY (13) P 10 0.04 2.98 0.014 47. LP ( 3) S 2 671. RY (14) P 10 1.38 3.62 0.089 47. LP ( 3) S 2 672. RY (15) P 10 0.03 2.98 0.011 47. LP ( 3) S 2 673. RY (16) P 10 0.10 3.00 0.022 47. LP ( 3) S 2 674. RY (17) P 10 4.10 3.27 0.146 47. LP ( 3) S 2 675. RY (18) P 10 2.68 2.59 0.105 47. LP ( 3) S 2 676. RY (19) P 10 5.73 4.81 0.210 47. LP ( 3) S 2 677. RY (20) P 10 0.05 4.73 0.020 47. LP ( 3) S 2 678. RY (21) P 10 2.17 3.88 0.116 47. LP ( 3) S 2 679. RY (22) P 10 0.03 4.41 0.014 47. LP ( 3) S 2 680. RY (23) P 10 0.33 4.43 0.048 47. LP ( 3) S 2 682. RY (25) P 10 0.04 5.17 0.018 47. LP ( 3) S 2 684. RY (27) P 10 0.10 5.47 0.029 47. LP ( 3) S 2 685. RY (28) P 10 0.16 5.20 0.036 47. LP ( 3) S 2 688. RY (31) P 10 0.24 4.45 0.042 47. LP ( 3) S 2 690. RY (33) P 10 0.08 4.72 0.025 47. LP ( 3) S 2 691. RY (34) P 10 0.03 5.03 0.017 47. LP ( 3) S 2 692. RY (35) P 10 0.11 5.02 0.029 47. LP ( 3) S 2 693. RY (36) P 10 0.20 4.77 0.039 47. LP ( 3) S 2 694. RY (37) P 10 0.03 4.64 0.015 47. LP ( 3) S 2 695. RY (38) P 10 0.07 4.37 0.023 47. LP ( 3) S 2 697. RY (40) P 10 0.15 4.17 0.032 47. LP ( 3) S 2 718. RY (61) P 10 0.03 5.37 0.015 47. LP ( 3) S 2 719. RY ( 1) C 11 3.38 2.34 0.112 47. LP ( 3) S 2 721. RY ( 3) C 11 0.91 2.36 0.059 47. LP ( 3) S 2 722. RY ( 4) C 11 0.31 1.61 0.028 47. LP ( 3) S 2 723. RY ( 5) C 11 0.32 2.83 0.038 47. LP ( 3) S 2 728. RY (10) C 11 1.11 2.81 0.070 47. LP ( 3) S 2 729. RY (11) C 11 0.09 2.83 0.020 47. LP ( 3) S 2 730. RY (12) C 11 0.36 3.93 0.047 47. LP ( 3) S 2 735. RY (17) C 11 0.11 4.92 0.029 47. LP ( 3) S 2 736. RY (18) C 11 0.04 5.08 0.017 47. LP ( 3) S 2 745. RY (27) C 11 0.10 4.49 0.027 47. LP ( 3) S 2 750. RY (32) C 11 0.03 4.56 0.016 47. LP ( 3) S 2 751. RY (33) C 11 0.05 4.84 0.019 47. LP ( 3) S 2 753. RY (35) C 11 0.04 5.09 0.017 47. LP ( 3) S 2 771. RY ( 1) C 12 1.66 1.70 0.067 47. LP ( 3) S 2 772. RY ( 2) C 12 0.58 1.75 0.040 47. LP ( 3) S 2 773. RY ( 3) C 12 2.97 2.83 0.116 47. LP ( 3) S 2 774. RY ( 4) C 12 0.25 2.80 0.033 47. LP ( 3) S 2 775. RY ( 5) C 12 0.16 2.43 0.025 47. LP ( 3) S 2 779. RY ( 9) C 12 0.34 2.94 0.040 47. LP ( 3) S 2 780. RY (10) C 12 0.21 2.43 0.029 47. LP ( 3) S 2 781. RY (11) C 12 1.05 3.20 0.073 47. LP ( 3) S 2 783. RY (13) C 12 0.06 4.50 0.021 47. LP ( 3) S 2 785. RY (15) C 12 0.07 4.66 0.022 47. LP ( 3) S 2 786. RY (16) C 12 0.08 3.76 0.022 47. LP ( 3) S 2 787. RY (17) C 12 0.04 3.28 0.014 47. LP ( 3) S 2 788. RY (18) C 12 0.21 5.66 0.044 47. LP ( 3) S 2 797. RY (27) C 12 0.03 5.38 0.016 47. LP ( 3) S 2 801. RY (31) C 12 0.04 5.02 0.019 47. LP ( 3) S 2 803. RY (33) C 12 0.05 5.52 0.022 47. LP ( 3) S 2 804. RY (34) C 12 0.04 5.15 0.019 47. LP ( 3) S 2 823. RY ( 1) C 13 2.29 1.74 0.080 47. LP ( 3) S 2 824. RY ( 2) C 13 0.44 1.80 0.035 47. LP ( 3) S 2 825. RY ( 3) C 13 1.17 2.53 0.069 47. LP ( 3) S 2 826. RY ( 4) C 13 0.14 1.88 0.021 47. LP ( 3) S 2 827. RY ( 5) C 13 0.03 3.03 0.012 47. LP ( 3) S 2 828. RY ( 6) C 13 0.40 3.42 0.046 47. LP ( 3) S 2 830. RY ( 8) C 13 0.41 3.22 0.046 47. LP ( 3) S 2 831. RY ( 9) C 13 0.06 2.90 0.017 47. LP ( 3) S 2 832. RY (10) C 13 0.03 3.02 0.012 47. LP ( 3) S 2 833. RY (11) C 13 0.29 3.49 0.040 47. LP ( 3) S 2 834. RY (12) C 13 0.05 3.67 0.018 47. LP ( 3) S 2 836. RY (14) C 13 0.31 3.69 0.042 47. LP ( 3) S 2 837. RY (15) C 13 0.08 4.04 0.022 47. LP ( 3) S 2 838. RY (16) C 13 0.03 3.69 0.013 47. LP ( 3) S 2 840. RY (18) C 13 0.06 3.56 0.018 47. LP ( 3) S 2 855. RY (33) C 13 0.16 4.96 0.035 47. LP ( 3) S 2 858. RY (36) C 13 0.11 4.84 0.029 47. LP ( 3) S 2 875. RY ( 1) C 14 1.17 1.81 0.058 47. LP ( 3) S 2 876. RY ( 2) C 14 0.16 1.81 0.021 47. LP ( 3) S 2 877. RY ( 3) C 14 0.62 2.49 0.050 47. LP ( 3) S 2 878. RY ( 4) C 14 0.07 1.83 0.014 47. LP ( 3) S 2 880. RY ( 6) C 14 0.29 3.57 0.041 47. LP ( 3) S 2 882. RY ( 8) C 14 0.29 3.10 0.038 47. LP ( 3) S 2 884. RY (10) C 14 0.13 3.11 0.025 47. LP ( 3) S 2 885. RY (11) C 14 0.30 3.25 0.040 47. LP ( 3) S 2 886. RY (12) C 14 0.08 3.84 0.022 47. LP ( 3) S 2 889. RY (15) C 14 0.52 4.11 0.058 47. LP ( 3) S 2 898. RY (24) C 14 0.03 5.42 0.015 47. LP ( 3) S 2 899. RY (25) C 14 0.03 5.67 0.016 47. LP ( 3) S 2 904. RY (30) C 14 0.08 5.78 0.027 47. LP ( 3) S 2 905. RY (31) C 14 0.07 5.19 0.023 47. LP ( 3) S 2 907. RY (33) C 14 0.03 5.72 0.017 47. LP ( 3) S 2 908. RY (34) C 14 0.03 4.73 0.015 47. LP ( 3) S 2 909. RY (35) C 14 0.04 4.02 0.016 47. LP ( 3) S 2 910. RY (36) C 14 0.06 3.64 0.019 47. LP ( 3) S 2 927. RY ( 1) C 15 1.74 1.78 0.070 47. LP ( 3) S 2 928. RY ( 2) C 15 0.09 1.74 0.016 47. LP ( 3) S 2 929. RY ( 3) C 15 1.99 2.83 0.095 47. LP ( 3) S 2 930. RY ( 4) C 15 0.11 2.99 0.023 47. LP ( 3) S 2 931. RY ( 5) C 15 0.09 2.26 0.018 47. LP ( 3) S 2 935. RY ( 9) C 15 0.81 2.71 0.059 47. LP ( 3) S 2 936. RY (10) C 15 0.09 2.42 0.019 47. LP ( 3) S 2 937. RY (11) C 15 0.83 3.29 0.066 47. LP ( 3) S 2 938. RY (12) C 15 0.14 4.42 0.032 47. LP ( 3) S 2 942. RY (16) C 15 0.16 3.53 0.030 47. LP ( 3) S 2 943. RY (17) C 15 0.20 4.66 0.039 47. LP ( 3) S 2 944. RY (18) C 15 0.07 4.18 0.022 47. LP ( 3) S 2 960. RY (34) C 15 0.04 5.46 0.020 47. LP ( 3) S 2 978. RY (52) C 15 0.03 6.85 0.019 47. LP ( 3) S 2 979. RY ( 1) H 16 0.26 1.56 0.025 47. LP ( 3) S 2 982. RY ( 4) H 16 0.24 1.80 0.026 47. LP ( 3) S 2 1037. RY ( 1) H 18 0.03 2.94 0.012 47. LP ( 3) S 2 1040. RY ( 4) H 18 0.10 1.96 0.017 47. LP ( 3) S 2 1066. RY ( 1) H 19 0.38 1.39 0.029 47. LP ( 3) S 2 1069. RY ( 4) H 19 0.19 1.89 0.024 47. LP ( 3) S 2 1098. RY ( 4) H 20 0.05 1.48 0.011 47. LP ( 3) S 2 1124. RY ( 1) H 21 0.04 2.92 0.014 47. LP ( 3) S 2 1127. RY ( 4) H 21 0.28 1.56 0.026 47. LP ( 3) S 2 1153. RY ( 1) H 22 0.20 1.69 0.023 47. LP ( 3) S 2 1156. RY ( 4) H 22 0.24 1.65 0.025 47. LP ( 3) S 2 1161. RY ( 9) H 22 0.03 4.04 0.014 47. LP ( 3) S 2 1243. RY ( 4) H 25 0.12 1.95 0.019 47. LP ( 3) S 2 1244. RY ( 5) H 25 0.07 3.47 0.020 47. LP ( 3) S 2 1270. RY ( 2) H 26 0.03 3.13 0.012 47. LP ( 3) S 2 1272. RY ( 4) H 26 0.08 3.26 0.020 47. LP ( 3) S 2 1273. RY ( 5) H 26 0.06 2.44 0.015 47. LP ( 3) S 2 1298. RY ( 1) H 27 0.09 1.55 0.015 47. LP ( 3) S 2 1299. RY ( 2) H 27 0.06 2.83 0.017 47. LP ( 3) S 2 1300. RY ( 3) H 27 0.03 3.58 0.013 47. LP ( 3) S 2 1302. RY ( 5) H 27 0.05 2.18 0.013 47. LP ( 3) S 2 1309. RY (12) H 27 0.04 4.81 0.017 47. LP ( 3) S 2 1330. RY ( 4) H 28 0.11 3.25 0.024 47. LP ( 3) S 2 1331. RY ( 5) H 28 0.05 2.38 0.014 47. LP ( 3) S 2 1340. RY (14) H 28 0.04 7.13 0.020 47. LP ( 3) S 2 1356. RY ( 1) H 29 0.03 1.65 0.009 47. LP ( 3) S 2 1358. RY ( 3) H 29 0.04 3.29 0.015 47. LP ( 3) S 2 1359. RY ( 4) H 29 0.04 3.66 0.016 47. LP ( 3) S 2 1378. RY (23) H 29 0.03 4.60 0.014 48. LP ( 1) S 3 87. LV ( 1)Tc 1 0.25 1.15 0.021 48. LP ( 1) S 3 88. BD*( 1)Tc 1- P 10 0.14 0.60 0.012 48. LP ( 1) S 3 105. BD*( 1) C 11- C 12 0.03 0.98 0.006 48. LP ( 1) S 3 115. 3Cn( 1)Tc1-C12-C13 0.19 0.58 0.013 48. LP ( 1) S 3 117. 3C*( 1)Tc1-C12-C13 0.07 0.58 0.008 48. LP ( 1) S 3 119. RY ( 1)Tc 1 0.03 2.89 0.012 48. LP ( 1) S 3 120. RY ( 2)Tc 1 0.03 3.11 0.013 48. LP ( 1) S 3 121. RY ( 3)Tc 1 0.03 3.21 0.013 48. LP ( 1) S 3 138. RY (20)Tc 1 0.06 5.14 0.023 49. LP ( 2) S 3 87. LV ( 1)Tc 1 0.20 0.88 0.017 49. LP ( 2) S 3 88. BD*( 1)Tc 1- P 10 0.90 0.33 0.022 49. LP ( 2) S 3 97. BD*( 1) C 8- P 10 0.04 0.44 0.005 49. LP ( 2) S 3 105. BD*( 1) C 11- C 12 0.08 0.71 0.009 49. LP ( 2) S 3 112. BD*( 1) C 14- C 15 0.06 0.69 0.008 49. LP ( 2) S 3 115. 3Cn( 1)Tc1-C12-C13 0.19 0.30 0.010 49. LP ( 2) S 3 116. 3Cn( 1)Tc1-C14-C15 0.19 0.29 0.009 49. LP ( 2) S 3 117. 3C*( 1)Tc1-C12-C13 0.19 0.31 0.010 49. LP ( 2) S 3 118. 3C*( 1)Tc1-C14-C15 0.20 0.30 0.010 49. LP ( 2) S 3 120. RY ( 2)Tc 1 0.06 2.84 0.017 49. LP ( 2) S 3 122. RY ( 4)Tc 1 0.07 1.52 0.013 49. LP ( 2) S 3 125. RY ( 7)Tc 1 0.03 3.01 0.013 49. LP ( 2) S 3 131. RY (13)Tc 1 0.04 6.00 0.018 49. LP ( 2) S 3 662. RY ( 5) P 10 0.05 2.14 0.013 49. LP ( 2) S 3 665. RY ( 8) P 10 0.03 2.59 0.011 49. LP ( 2) S 3 728. RY (10) C 11 0.03 2.83 0.011 49. LP ( 2) S 3 1240. RY ( 1) H 25 0.05 1.82 0.012 51. LP ( 2) S 4 87. LV ( 1)Tc 1 0.15 0.89 0.014 51. LP ( 2) S 4 88. BD*( 1)Tc 1- P 10 0.04 0.34 0.005 51. LP ( 2) S 4 115. 3Cn( 1)Tc1-C12-C13 0.21 0.32 0.010 51. LP ( 2) S 4 116. 3Cn( 1)Tc1-C14-C15 0.21 0.31 0.010 51. LP ( 2) S 4 117. 3C*( 1)Tc1-C12-C13 0.17 0.32 0.009 51. LP ( 2) S 4 118. 3C*( 1)Tc1-C14-C15 0.14 0.31 0.008 51. LP ( 2) S 4 131. RY (13)Tc 1 0.03 6.01 0.016 51. LP ( 2) S 4 132. RY (14)Tc 1 0.03 5.45 0.015 51. LP ( 2) S 4 138. RY (20)Tc 1 0.03 4.88 0.016 51. LP ( 2) S 4 665. RY ( 8) P 10 0.03 2.60 0.011 51. LP ( 2) S 4 676. RY (19) P 10 0.03 4.84 0.014 52. LP ( 1) S 5 87. LV ( 1)Tc 1 0.22 1.15 0.020 52. LP ( 1) S 5 88. BD*( 1)Tc 1- P 10 0.11 0.60 0.010 52. LP ( 1) S 5 101. BD*( 1) C 9- P 10 0.03 0.71 0.006 52. LP ( 1) S 5 106. BD*( 1) C 11- C 15 0.03 0.98 0.007 52. LP ( 1) S 5 116. 3Cn( 1)Tc1-C14-C15 0.19 0.57 0.013 52. LP ( 1) S 5 118. 3C*( 1)Tc1-C14-C15 0.06 0.57 0.008 52. LP ( 1) S 5 119. RY ( 1)Tc 1 0.03 2.89 0.011 52. LP ( 1) S 5 120. RY ( 2)Tc 1 0.04 3.11 0.015 52. LP ( 1) S 5 125. RY ( 7)Tc 1 0.03 3.28 0.013 52. LP ( 1) S 5 138. RY (20)Tc 1 0.03 5.14 0.017 53. LP ( 2) S 5 87. LV ( 1)Tc 1 0.18 0.88 0.016 53. LP ( 2) S 5 88. BD*( 1)Tc 1- P 10 0.78 0.33 0.020 53. LP ( 2) S 5 106. BD*( 1) C 11- C 15 0.08 0.71 0.009 53. LP ( 2) S 5 108. BD*( 1) C 12- C 13 0.04 0.69 0.007 53. LP ( 2) S 5 115. 3Cn( 1)Tc1-C12-C13 0.22 0.31 0.010 53. LP ( 2) S 5 116. 3Cn( 1)Tc1-C14-C15 0.17 0.29 0.009 53. LP ( 2) S 5 117. 3C*( 1)Tc1-C12-C13 0.17 0.31 0.009 53. LP ( 2) S 5 118. 3C*( 1)Tc1-C14-C15 0.14 0.30 0.008 53. LP ( 2) S 5 120. RY ( 2)Tc 1 0.06 2.84 0.017 53. LP ( 2) S 5 122. RY ( 4)Tc 1 0.06 1.52 0.012 53. LP ( 2) S 5 132. RY (14)Tc 1 0.04 5.44 0.018 53. LP ( 2) S 5 138. RY (20)Tc 1 0.03 4.87 0.015 53. LP ( 2) S 5 662. RY ( 5) P 10 0.04 2.14 0.012 53. LP ( 2) S 5 665. RY ( 8) P 10 0.03 2.59 0.011 53. LP ( 2) S 5 1240. RY ( 1) H 25 0.05 1.82 0.012 54. LP ( 1) S 6 87. LV ( 1)Tc 1 4.43 1.10 0.088 54. LP ( 1) S 6 88. BD*( 1)Tc 1- P 10 0.05 0.55 0.007 54. LP ( 1) S 6 94. BD*( 1) C 7- H 16 0.05 0.82 0.008 54. LP ( 1) S 6 96. BD*( 1) C 7- H 18 0.03 0.83 0.006 54. LP ( 1) S 6 101. BD*( 1) C 9- P 10 0.12 0.67 0.011 54. LP ( 1) S 6 115. 3Cn( 1)Tc1-C12-C13 0.04 0.53 0.006 54. LP ( 1) S 6 116. 3Cn( 1)Tc1-C14-C15 4.27 0.52 0.059 54. LP ( 1) S 6 118. 3C*( 1)Tc1-C14-C15 1.16 0.53 0.031 54. LP ( 1) S 6 119. RY ( 1)Tc 1 0.09 2.84 0.020 54. LP ( 1) S 6 120. RY ( 2)Tc 1 0.03 3.06 0.011 54. LP ( 1) S 6 123. RY ( 5)Tc 1 0.13 2.12 0.021 54. LP ( 1) S 6 125. RY ( 7)Tc 1 0.10 3.23 0.022 54. LP ( 1) S 6 126. RY ( 8)Tc 1 0.10 2.68 0.021 54. LP ( 1) S 6 127. RY ( 9)Tc 1 0.07 2.59 0.017 54. LP ( 1) S 6 134. RY (16)Tc 1 0.03 2.57 0.011 54. LP ( 1) S 6 136. RY (18)Tc 1 0.10 2.64 0.021 54. LP ( 1) S 6 138. RY (20)Tc 1 0.08 5.09 0.025 54. LP ( 1) S 6 141. RY (23)Tc 1 0.16 3.89 0.031 54. LP ( 1) S 6 144. RY (26)Tc 1 0.04 3.09 0.014 54. LP ( 1) S 6 164. RY (46)Tc 1 0.03 12.10 0.026 54. LP ( 1) S 6 165. RY (47)Tc 1 0.05 12.37 0.031 54. LP ( 1) S 6 168. RY (50)Tc 1 0.03 10.36 0.024 54. LP ( 1) S 6 169. RY (51)Tc 1 0.03 24.00 0.036 54. LP ( 1) S 6 170. RY (52)Tc 1 0.04 14.41 0.032 54. LP ( 1) S 6 174. RY (56)Tc 1 0.03 8.24 0.019 54. LP ( 1) S 6 175. RY (57)Tc 1 0.08 11.70 0.039 54. LP ( 1) S 6 184. RY (66)Tc 1 0.03 5.09 0.015 54. LP ( 1) S 6 195. RY (77)Tc 1 0.05 5.24 0.021 54. LP ( 1) S 6 662. RY ( 5) P 10 0.06 2.36 0.015 54. LP ( 1) S 6 665. RY ( 8) P 10 0.06 2.82 0.016 54. LP ( 1) S 6 674. RY (17) P 10 0.05 3.51 0.017 54. LP ( 1) S 6 676. RY (19) P 10 0.05 5.06 0.020 54. LP ( 1) S 6 678. RY (21) P 10 0.03 4.13 0.014 54. LP ( 1) S 6 719. RY ( 1) C 11 0.07 2.59 0.017 54. LP ( 1) S 6 773. RY ( 3) C 12 0.04 3.07 0.014 54. LP ( 1) S 6 823. RY ( 1) C 13 0.04 1.98 0.011 54. LP ( 1) S 6 927. RY ( 1) C 15 0.03 2.02 0.011 54. LP ( 1) S 6 929. RY ( 3) C 15 0.04 3.08 0.014 55. LP ( 2) S 6 87. LV ( 1)Tc 1 1.81 0.86 0.050 55. LP ( 2) S 6 97. BD*( 1) C 8- P 10 0.06 0.42 0.006 55. LP ( 2) S 6 101. BD*( 1) C 9- P 10 0.18 0.42 0.011 55. LP ( 2) S 6 109. BD*( 1) C 12- H 26 0.03 0.63 0.006 55. LP ( 2) S 6 115. 3Cn( 1)Tc1-C12-C13 2.08 0.28 0.031 55. LP ( 2) S 6 116. 3Cn( 1)Tc1-C14-C15 13.52 0.27 0.077 55. LP ( 2) S 6 117. 3C*( 1)Tc1-C12-C13 0.53 0.29 0.016 55. LP ( 2) S 6 118. 3C*( 1)Tc1-C14-C15 5.93 0.28 0.051 55. LP ( 2) S 6 119. RY ( 1)Tc 1 0.12 2.59 0.022 55. LP ( 2) S 6 120. RY ( 2)Tc 1 0.92 2.81 0.064 55. LP ( 2) S 6 121. RY ( 3)Tc 1 0.45 2.92 0.046 55. LP ( 2) S 6 123. RY ( 5)Tc 1 0.73 1.87 0.047 55. LP ( 2) S 6 124. RY ( 6)Tc 1 0.27 3.25 0.037 55. LP ( 2) S 6 125. RY ( 7)Tc 1 0.35 2.99 0.041 55. LP ( 2) S 6 126. RY ( 8)Tc 1 0.70 2.44 0.052 55. LP ( 2) S 6 127. RY ( 9)Tc 1 0.40 2.35 0.039 55. LP ( 2) S 6 128. RY (10)Tc 1 0.31 2.55 0.035 55. LP ( 2) S 6 129. RY (11)Tc 1 0.13 3.75 0.028 55. LP ( 2) S 6 130. RY (12)Tc 1 0.24 3.55 0.037 55. LP ( 2) S 6 131. RY (13)Tc 1 0.44 5.98 0.065 55. LP ( 2) S 6 132. RY (14)Tc 1 0.48 5.42 0.064 55. LP ( 2) S 6 133. RY (15)Tc 1 0.03 2.73 0.011 55. LP ( 2) S 6 134. RY (16)Tc 1 0.11 2.32 0.020 55. LP ( 2) S 6 135. RY (17)Tc 1 0.03 2.76 0.011 55. LP ( 2) S 6 137. RY (19)Tc 1 0.11 3.06 0.024 55. LP ( 2) S 6 138. RY (20)Tc 1 0.86 4.85 0.081 55. LP ( 2) S 6 139. RY (21)Tc 1 0.10 3.23 0.023 55. LP ( 2) S 6 141. RY (23)Tc 1 0.20 3.65 0.034 55. LP ( 2) S 6 144. RY (26)Tc 1 0.03 2.85 0.012 55. LP ( 2) S 6 145. RY (27)Tc 1 0.07 2.93 0.019 55. LP ( 2) S 6 146. RY (28)Tc 1 0.23 4.23 0.039 55. LP ( 2) S 6 147. RY (29)Tc 1 0.06 3.55 0.018 55. LP ( 2) S 6 149. RY (31)Tc 1 0.06 3.85 0.019 55. LP ( 2) S 6 151. RY (33)Tc 1 0.16 4.69 0.034 55. LP ( 2) S 6 152. RY (34)Tc 1 0.18 5.36 0.040 55. LP ( 2) S 6 156. RY (38)Tc 1 0.03 3.61 0.014 55. LP ( 2) S 6 157. RY (39)Tc 1 0.04 5.57 0.019 55. LP ( 2) S 6 161. RY (43)Tc 1 0.07 4.00 0.021 55. LP ( 2) S 6 163. RY (45)Tc 1 0.06 5.40 0.022 55. LP ( 2) S 6 164. RY (46)Tc 1 0.07 11.85 0.036 55. LP ( 2) S 6 165. RY (47)Tc 1 0.03 12.13 0.022 55. LP ( 2) S 6 166. RY (48)Tc 1 0.05 8.25 0.027 55. LP ( 2) S 6 167. RY (49)Tc 1 0.07 8.66 0.032 55. LP ( 2) S 6 168. RY (50)Tc 1 0.05 10.12 0.028 55. LP ( 2) S 6 169. RY (51)Tc 1 0.10 23.75 0.062 55. LP ( 2) S 6 170. RY (52)Tc 1 0.04 14.17 0.031 55. LP ( 2) S 6 171. RY (53)Tc 1 0.04 6.95 0.022 55. LP ( 2) S 6 174. RY (56)Tc 1 0.06 8.00 0.028 55. LP ( 2) S 6 177. RY (59)Tc 1 0.07 5.34 0.024 55. LP ( 2) S 6 182. RY (64)Tc 1 0.04 5.25 0.018 55. LP ( 2) S 6 184. RY (66)Tc 1 0.06 4.84 0.021 55. LP ( 2) S 6 185. RY (67)Tc 1 0.04 4.35 0.017 55. LP ( 2) S 6 189. RY (71)Tc 1 0.04 5.50 0.020 55. LP ( 2) S 6 191. RY (73)Tc 1 0.07 4.61 0.022 55. LP ( 2) S 6 192. RY (74)Tc 1 0.32 5.54 0.053 55. LP ( 2) S 6 193. RY (75)Tc 1 0.05 4.21 0.019 55. LP ( 2) S 6 195. RY (77)Tc 1 0.07 4.99 0.023 55. LP ( 2) S 6 502. RY ( 1) C 7 0.03 2.90 0.012 55. LP ( 2) S 6 554. RY ( 1) C 8 0.04 2.62 0.013 55. LP ( 2) S 6 658. RY ( 1) P 10 0.11 1.82 0.018 55. LP ( 2) S 6 660. RY ( 3) P 10 0.03 1.58 0.009 55. LP ( 2) S 6 662. RY ( 5) P 10 0.33 2.12 0.033 55. LP ( 2) S 6 665. RY ( 8) P 10 0.25 2.57 0.032 55. LP ( 2) S 6 667. RY (10) P 10 0.14 2.66 0.025 55. LP ( 2) S 6 668. RY (11) P 10 0.12 3.10 0.025 55. LP ( 2) S 6 671. RY (14) P 10 0.08 3.62 0.022 55. LP ( 2) S 6 674. RY (17) P 10 0.41 3.27 0.046 55. LP ( 2) S 6 675. RY (18) P 10 0.18 2.58 0.028 55. LP ( 2) S 6 676. RY (19) P 10 0.43 4.81 0.057 55. LP ( 2) S 6 678. RY (21) P 10 0.14 3.88 0.030 55. LP ( 2) S 6 688. RY (31) P 10 0.05 4.45 0.018 55. LP ( 2) S 6 719. RY ( 1) C 11 0.19 2.34 0.027 55. LP ( 2) S 6 721. RY ( 3) C 11 0.05 2.36 0.014 55. LP ( 2) S 6 722. RY ( 4) C 11 0.03 1.61 0.009 55. LP ( 2) S 6 728. RY (10) C 11 0.06 2.81 0.016 55. LP ( 2) S 6 730. RY (12) C 11 0.03 3.93 0.013 55. LP ( 2) S 6 771. RY ( 1) C 12 0.06 1.70 0.013 55. LP ( 2) S 6 772. RY ( 2) C 12 0.03 1.75 0.008 55. LP ( 2) S 6 773. RY ( 3) C 12 0.14 2.82 0.025 55. LP ( 2) S 6 780. RY (10) C 12 0.03 2.42 0.010 55. LP ( 2) S 6 781. RY (11) C 12 0.03 3.20 0.013 55. LP ( 2) S 6 823. RY ( 1) C 13 0.07 1.74 0.014 55. LP ( 2) S 6 824. RY ( 2) C 13 0.03 1.80 0.009 55. LP ( 2) S 6 825. RY ( 3) C 13 0.03 2.53 0.011 55. LP ( 2) S 6 833. RY (11) C 13 0.03 3.49 0.012 55. LP ( 2) S 6 875. RY ( 1) C 14 0.34 1.81 0.031 55. LP ( 2) S 6 877. RY ( 3) C 14 0.13 2.49 0.023 55. LP ( 2) S 6 878. RY ( 4) C 14 0.12 1.83 0.018 55. LP ( 2) S 6 882. RY ( 8) C 14 0.03 3.10 0.012 55. LP ( 2) S 6 885. RY (11) C 14 0.04 3.25 0.015 55. LP ( 2) S 6 889. RY (15) C 14 0.07 4.11 0.021 55. LP ( 2) S 6 927. RY ( 1) C 15 0.16 1.77 0.021 55. LP ( 2) S 6 929. RY ( 3) C 15 0.19 2.83 0.029 55. LP ( 2) S 6 935. RY ( 9) C 15 0.06 2.71 0.016 55. LP ( 2) S 6 937. RY (11) C 15 0.10 3.28 0.023 56. LP ( 3) S 6 87. LV ( 1)Tc 1 62.86 0.86 0.293 56. LP ( 3) S 6 88. BD*( 1)Tc 1- P 10 0.62 0.31 0.017 56. LP ( 3) S 6 93. BD*( 1) C 7- P 10 0.58 0.42 0.020 56. LP ( 3) S 6 97. BD*( 1) C 8- P 10 0.04 0.43 0.005 56. LP ( 3) S 6 101. BD*( 1) C 9- P 10 0.23 0.42 0.013 56. LP ( 3) S 6 102. BD*( 1) C 9- H 22 0.05 0.58 0.007 56. LP ( 3) S 6 109. BD*( 1) C 12- H 26 0.04 0.63 0.006 56. LP ( 3) S 6 115. 3Cn( 1)Tc1-C12-C13 1.53 0.29 0.026 56. LP ( 3) S 6 116. 3Cn( 1)Tc1-C14-C15 59.00 0.28 0.161 56. LP ( 3) S 6 117. 3C*( 1)Tc1-C12-C13 1.86 0.29 0.029 56. LP ( 3) S 6 118. 3C*( 1)Tc1-C14-C15 19.80 0.28 0.094 56. LP ( 3) S 6 119. RY ( 1)Tc 1 4.57 2.59 0.137 56. LP ( 3) S 6 120. RY ( 2)Tc 1 10.67 2.82 0.219 56. LP ( 3) S 6 121. RY ( 3)Tc 1 4.42 2.92 0.143 56. LP ( 3) S 6 122. RY ( 4)Tc 1 0.13 1.51 0.018 56. LP ( 3) S 6 123. RY ( 5)Tc 1 1.04 1.88 0.056 56. LP ( 3) S 6 124. RY ( 6)Tc 1 6.07 3.26 0.178 56. LP ( 3) S 6 125. RY ( 7)Tc 1 7.15 2.99 0.185 56. LP ( 3) S 6 126. RY ( 8)Tc 1 9.40 2.44 0.191 56. LP ( 3) S 6 127. RY ( 9)Tc 1 2.71 2.35 0.101 56. LP ( 3) S 6 128. RY (10)Tc 1 0.20 2.56 0.028 56. LP ( 3) S 6 129. RY (11)Tc 1 2.08 3.76 0.112 56. LP ( 3) S 6 130. RY (12)Tc 1 1.36 3.55 0.088 56. LP ( 3) S 6 131. RY (13)Tc 1 8.61 5.98 0.287 56. LP ( 3) S 6 132. RY (14)Tc 1 9.55 5.42 0.287 56. LP ( 3) S 6 133. RY (15)Tc 1 0.62 2.73 0.052 56. LP ( 3) S 6 134. RY (16)Tc 1 1.09 2.33 0.064 56. LP ( 3) S 6 135. RY (17)Tc 1 0.59 2.76 0.051 56. LP ( 3) S 6 137. RY (19)Tc 1 0.22 3.06 0.033 56. LP ( 3) S 6 138. RY (20)Tc 1 8.01 4.85 0.249 56. LP ( 3) S 6 139. RY (21)Tc 1 1.19 3.23 0.078 56. LP ( 3) S 6 140. RY (22)Tc 1 0.17 3.21 0.030 56. LP ( 3) S 6 141. RY (23)Tc 1 4.10 3.65 0.155 56. LP ( 3) S 6 143. RY (25)Tc 1 0.06 2.60 0.015 56. LP ( 3) S 6 144. RY (26)Tc 1 0.58 2.85 0.052 56. LP ( 3) S 6 145. RY (27)Tc 1 1.20 2.94 0.075 56. LP ( 3) S 6 146. RY (28)Tc 1 1.90 4.23 0.113 56. LP ( 3) S 6 147. RY (29)Tc 1 1.01 3.56 0.076 56. LP ( 3) S 6 148. RY (30)Tc 1 0.09 3.57 0.022 56. LP ( 3) S 6 149. RY (31)Tc 1 0.57 3.85 0.059 56. LP ( 3) S 6 150. RY (32)Tc 1 0.07 4.17 0.022 56. LP ( 3) S 6 151. RY (33)Tc 1 2.10 4.70 0.125 56. LP ( 3) S 6 152. RY (34)Tc 1 1.79 5.36 0.124 56. LP ( 3) S 6 154. RY (36)Tc 1 0.22 3.99 0.038 56. LP ( 3) S 6 155. RY (37)Tc 1 0.11 4.51 0.029 56. LP ( 3) S 6 156. RY (38)Tc 1 1.17 3.61 0.082 56. LP ( 3) S 6 157. RY (39)Tc 1 0.74 5.58 0.081 56. LP ( 3) S 6 158. RY (40)Tc 1 0.23 6.07 0.047 56. LP ( 3) S 6 161. RY (43)Tc 1 1.35 4.00 0.093 56. LP ( 3) S 6 162. RY (44)Tc 1 0.08 4.75 0.024 56. LP ( 3) S 6 163. RY (45)Tc 1 0.75 5.40 0.080 56. LP ( 3) S 6 164. RY (46)Tc 1 1.00 11.86 0.138 56. LP ( 3) S 6 165. RY (47)Tc 1 0.38 12.13 0.085 56. LP ( 3) S 6 166. RY (48)Tc 1 0.45 8.25 0.077 56. LP ( 3) S 6 167. RY (49)Tc 1 1.04 8.66 0.120 56. LP ( 3) S 6 168. RY (50)Tc 1 0.80 10.12 0.114 56. LP ( 3) S 6 169. RY (51)Tc 1 1.58 23.76 0.244 56. LP ( 3) S 6 170. RY (52)Tc 1 0.94 14.17 0.145 56. LP ( 3) S 6 171. RY (53)Tc 1 0.60 6.95 0.081 56. LP ( 3) S 6 173. RY (55)Tc 1 0.20 5.70 0.043 56. LP ( 3) S 6 174. RY (56)Tc 1 0.85 8.00 0.104 56. LP ( 3) S 6 176. RY (58)Tc 1 0.08 4.57 0.024 56. LP ( 3) S 6 177. RY (59)Tc 1 1.02 5.34 0.093 56. LP ( 3) S 6 178. RY (60)Tc 1 0.03 5.34 0.017 56. LP ( 3) S 6 180. RY (62)Tc 1 0.05 3.51 0.017 56. LP ( 3) S 6 181. RY (63)Tc 1 0.06 4.60 0.021 56. LP ( 3) S 6 182. RY (64)Tc 1 0.22 5.25 0.042 56. LP ( 3) S 6 183. RY (65)Tc 1 0.03 5.73 0.016 56. LP ( 3) S 6 184. RY (66)Tc 1 0.50 4.84 0.062 56. LP ( 3) S 6 185. RY (67)Tc 1 0.77 4.35 0.073 56. LP ( 3) S 6 186. RY (68)Tc 1 0.05 5.21 0.021 56. LP ( 3) S 6 187. RY (69)Tc 1 0.10 4.65 0.027 56. LP ( 3) S 6 188. RY (70)Tc 1 0.19 4.11 0.035 56. LP ( 3) S 6 189. RY (71)Tc 1 1.03 5.51 0.095 56. LP ( 3) S 6 190. RY (72)Tc 1 0.08 3.53 0.021 56. LP ( 3) S 6 191. RY (73)Tc 1 0.71 4.61 0.072 56. LP ( 3) S 6 192. RY (74)Tc 1 4.89 5.55 0.208 56. LP ( 3) S 6 193. RY (75)Tc 1 0.40 4.21 0.052 56. LP ( 3) S 6 194. RY (76)Tc 1 0.15 3.64 0.029 56. LP ( 3) S 6 195. RY (77)Tc 1 0.80 5.00 0.080 56. LP ( 3) S 6 502. RY ( 1) C 7 0.29 2.90 0.037 56. LP ( 3) S 6 505. RY ( 4) C 7 0.10 1.73 0.017 56. LP ( 3) S 6 506. RY ( 5) C 7 0.08 1.55 0.014 56. LP ( 3) S 6 509. RY ( 8) C 7 0.12 1.53 0.017 56. LP ( 3) S 6 510. RY ( 9) C 7 0.07 2.76 0.017 56. LP ( 3) S 6 514. RY (13) C 7 0.10 2.69 0.020 56. LP ( 3) S 6 537. RY (36) C 7 0.03 5.29 0.015 56. LP ( 3) S 6 538. RY (37) C 7 0.07 4.87 0.024 56. LP ( 3) S 6 541. RY (40) C 7 0.10 3.25 0.022 56. LP ( 3) S 6 542. RY (41) C 7 0.03 3.18 0.012 56. LP ( 3) S 6 554. RY ( 1) C 8 0.35 2.62 0.038 56. LP ( 3) S 6 558. RY ( 5) C 8 0.04 1.86 0.011 56. LP ( 3) S 6 559. RY ( 6) C 8 0.04 1.65 0.010 56. LP ( 3) S 6 561. RY ( 8) C 8 0.12 1.70 0.018 56. LP ( 3) S 6 562. RY ( 9) C 8 0.06 2.49 0.015 56. LP ( 3) S 6 566. RY (13) C 8 0.03 3.22 0.013 56. LP ( 3) S 6 567. RY (14) C 8 0.16 3.76 0.031 56. LP ( 3) S 6 569. RY (16) C 8 0.05 3.51 0.016 56. LP ( 3) S 6 590. RY (37) C 8 0.03 3.84 0.014 56. LP ( 3) S 6 592. RY (39) C 8 0.05 4.28 0.019 56. LP ( 3) S 6 593. RY (40) C 8 0.07 2.87 0.018 56. LP ( 3) S 6 606. RY ( 1) C 9 0.35 3.00 0.041 56. LP ( 3) S 6 613. RY ( 8) C 9 0.14 1.30 0.017 56. LP ( 3) S 6 614. RY ( 9) C 9 0.03 2.26 0.010 56. LP ( 3) S 6 617. RY (12) C 9 0.09 2.55 0.019 56. LP ( 3) S 6 618. RY (13) C 9 0.03 3.50 0.012 56. LP ( 3) S 6 619. RY (14) C 9 0.23 2.99 0.033 56. LP ( 3) S 6 620. RY (15) C 9 0.18 4.28 0.035 56. LP ( 3) S 6 646. RY (41) C 9 0.04 3.39 0.015 56. LP ( 3) S 6 658. RY ( 1) P 10 1.28 1.83 0.061 56. LP ( 3) S 6 659. RY ( 2) P 10 0.04 1.64 0.011 56. LP ( 3) S 6 660. RY ( 3) P 10 0.36 1.58 0.030 56. LP ( 3) S 6 661. RY ( 4) P 10 0.03 1.55 0.009 56. LP ( 3) S 6 662. RY ( 5) P 10 4.71 2.12 0.126 56. LP ( 3) S 6 663. RY ( 6) P 10 0.09 1.56 0.015 56. LP ( 3) S 6 665. RY ( 8) P 10 4.79 2.57 0.140 56. LP ( 3) S 6 666. RY ( 9) P 10 0.15 2.37 0.024 56. LP ( 3) S 6 667. RY (10) P 10 1.28 2.66 0.074 56. LP ( 3) S 6 668. RY (11) P 10 1.17 3.10 0.076 56. LP ( 3) S 6 669. RY (12) P 10 0.72 3.09 0.060 56. LP ( 3) S 6 670. RY (13) P 10 0.03 2.99 0.012 56. LP ( 3) S 6 671. RY (14) P 10 1.22 3.62 0.084 56. LP ( 3) S 6 672. RY (15) P 10 0.21 2.98 0.032 56. LP ( 3) S 6 674. RY (17) P 10 4.32 3.27 0.150 56. LP ( 3) S 6 675. RY (18) P 10 2.48 2.59 0.101 56. LP ( 3) S 6 676. RY (19) P 10 6.10 4.81 0.216 56. LP ( 3) S 6 677. RY (20) P 10 0.03 4.73 0.016 56. LP ( 3) S 6 678. RY (21) P 10 2.13 3.88 0.115 56. LP ( 3) S 6 679. RY (22) P 10 0.04 4.41 0.017 56. LP ( 3) S 6 680. RY (23) P 10 0.51 4.43 0.060 56. LP ( 3) S 6 681. RY (24) P 10 0.03 3.77 0.013 56. LP ( 3) S 6 682. RY (25) P 10 0.04 5.17 0.017 56. LP ( 3) S 6 683. RY (26) P 10 0.03 4.27 0.014 56. LP ( 3) S 6 684. RY (27) P 10 0.08 5.47 0.027 56. LP ( 3) S 6 685. RY (28) P 10 0.13 5.20 0.032 56. LP ( 3) S 6 687. RY (30) P 10 0.03 5.77 0.017 56. LP ( 3) S 6 688. RY (31) P 10 0.34 4.45 0.049 56. LP ( 3) S 6 689. RY (32) P 10 0.03 5.17 0.017 56. LP ( 3) S 6 690. RY (33) P 10 0.05 4.72 0.019 56. LP ( 3) S 6 691. RY (34) P 10 0.04 5.03 0.019 56. LP ( 3) S 6 692. RY (35) P 10 0.04 5.02 0.019 56. LP ( 3) S 6 693. RY (36) P 10 0.18 4.78 0.037 56. LP ( 3) S 6 695. RY (38) P 10 0.08 4.37 0.024 56. LP ( 3) S 6 697. RY (40) P 10 0.20 4.17 0.036 56. LP ( 3) S 6 712. RY (55) P 10 0.03 7.01 0.019 56. LP ( 3) S 6 717. RY (60) P 10 0.05 5.30 0.021 56. LP ( 3) S 6 718. RY (61) P 10 0.03 5.38 0.017 56. LP ( 3) S 6 719. RY ( 1) C 11 3.43 2.34 0.113 56. LP ( 3) S 6 721. RY ( 3) C 11 0.92 2.36 0.059 56. LP ( 3) S 6 722. RY ( 4) C 11 0.36 1.61 0.030 56. LP ( 3) S 6 723. RY ( 5) C 11 0.30 2.83 0.037 56. LP ( 3) S 6 726. RY ( 8) C 11 0.03 2.77 0.011 56. LP ( 3) S 6 727. RY ( 9) C 11 0.04 2.74 0.012 56. LP ( 3) S 6 728. RY (10) C 11 1.11 2.81 0.071 56. LP ( 3) S 6 729. RY (11) C 11 0.08 2.83 0.020 56. LP ( 3) S 6 730. RY (12) C 11 0.38 3.93 0.049 56. LP ( 3) S 6 735. RY (17) C 11 0.08 4.92 0.025 56. LP ( 3) S 6 736. RY (18) C 11 0.05 5.08 0.019 56. LP ( 3) S 6 745. RY (27) C 11 0.09 4.49 0.026 56. LP ( 3) S 6 750. RY (32) C 11 0.04 4.56 0.018 56. LP ( 3) S 6 751. RY (33) C 11 0.05 4.84 0.019 56. LP ( 3) S 6 752. RY (34) C 11 0.03 5.33 0.015 56. LP ( 3) S 6 771. RY ( 1) C 12 1.19 1.70 0.057 56. LP ( 3) S 6 772. RY ( 2) C 12 0.23 1.75 0.025 56. LP ( 3) S 6 773. RY ( 3) C 12 2.07 2.83 0.097 56. LP ( 3) S 6 774. RY ( 4) C 12 0.14 2.81 0.025 56. LP ( 3) S 6 775. RY ( 5) C 12 0.06 2.43 0.015 56. LP ( 3) S 6 779. RY ( 9) C 12 0.58 2.94 0.052 56. LP ( 3) S 6 780. RY (10) C 12 0.23 2.43 0.030 56. LP ( 3) S 6 781. RY (11) C 12 0.96 3.20 0.070 56. LP ( 3) S 6 782. RY (12) C 12 0.03 4.17 0.014 56. LP ( 3) S 6 783. RY (13) C 12 0.13 4.50 0.030 56. LP ( 3) S 6 785. RY (15) C 12 0.04 4.67 0.018 56. LP ( 3) S 6 786. RY (16) C 12 0.06 3.76 0.019 56. LP ( 3) S 6 788. RY (18) C 12 0.19 5.66 0.041 56. LP ( 3) S 6 803. RY (33) C 12 0.06 5.53 0.023 56. LP ( 3) S 6 804. RY (34) C 12 0.04 5.15 0.017 56. LP ( 3) S 6 823. RY ( 1) C 13 0.78 1.74 0.047 56. LP ( 3) S 6 824. RY ( 2) C 13 0.18 1.80 0.023 56. LP ( 3) S 6 825. RY ( 3) C 13 0.74 2.53 0.055 56. LP ( 3) S 6 828. RY ( 6) C 13 0.38 3.42 0.045 56. LP ( 3) S 6 830. RY ( 8) C 13 0.29 3.22 0.039 56. LP ( 3) S 6 832. RY (10) C 13 0.05 3.02 0.016 56. LP ( 3) S 6 833. RY (11) C 13 0.31 3.49 0.042 56. LP ( 3) S 6 834. RY (12) C 13 0.13 3.67 0.027 56. LP ( 3) S 6 836. RY (14) C 13 0.35 3.69 0.045 56. LP ( 3) S 6 837. RY (15) C 13 0.06 4.04 0.020 56. LP ( 3) S 6 838. RY (16) C 13 0.03 3.69 0.014 56. LP ( 3) S 6 840. RY (18) C 13 0.06 3.56 0.019 56. LP ( 3) S 6 855. RY (33) C 13 0.10 4.96 0.029 56. LP ( 3) S 6 858. RY (36) C 13 0.10 4.84 0.028 56. LP ( 3) S 6 875. RY ( 1) C 14 3.45 1.81 0.100 56. LP ( 3) S 6 876. RY ( 2) C 14 0.50 1.81 0.038 56. LP ( 3) S 6 877. RY ( 3) C 14 1.09 2.49 0.066 56. LP ( 3) S 6 878. RY ( 4) C 14 0.35 1.83 0.032 56. LP ( 3) S 6 880. RY ( 6) C 14 0.32 3.57 0.043 56. LP ( 3) S 6 882. RY ( 8) C 14 0.45 3.10 0.047 56. LP ( 3) S 6 884. RY (10) C 14 0.11 3.11 0.023 56. LP ( 3) S 6 885. RY (11) C 14 0.32 3.25 0.041 56. LP ( 3) S 6 886. RY (12) C 14 0.04 3.84 0.015 56. LP ( 3) S 6 889. RY (15) C 14 0.43 4.11 0.053 56. LP ( 3) S 6 891. RY (17) C 14 0.05 4.25 0.019 56. LP ( 3) S 6 898. RY (24) C 14 0.04 5.42 0.019 56. LP ( 3) S 6 904. RY (30) C 14 0.10 5.79 0.030 56. LP ( 3) S 6 905. RY (31) C 14 0.08 5.19 0.026 56. LP ( 3) S 6 908. RY (34) C 14 0.04 4.74 0.018 56. LP ( 3) S 6 909. RY (35) C 14 0.04 4.02 0.017 56. LP ( 3) S 6 910. RY (36) C 14 0.05 3.64 0.017 56. LP ( 3) S 6 927. RY ( 1) C 15 2.25 1.78 0.080 56. LP ( 3) S 6 928. RY ( 2) C 15 0.30 1.74 0.029 56. LP ( 3) S 6 929. RY ( 3) C 15 2.79 2.83 0.112 56. LP ( 3) S 6 930. RY ( 4) C 15 0.19 2.99 0.030 56. LP ( 3) S 6 931. RY ( 5) C 15 0.17 2.26 0.024 56. LP ( 3) S 6 935. RY ( 9) C 15 0.56 2.71 0.049 56. LP ( 3) S 6 936. RY (10) C 15 0.06 2.42 0.015 56. LP ( 3) S 6 937. RY (11) C 15 0.97 3.29 0.071 56. LP ( 3) S 6 938. RY (12) C 15 0.08 4.43 0.023 56. LP ( 3) S 6 941. RY (15) C 15 0.03 4.80 0.015 56. LP ( 3) S 6 942. RY (16) C 15 0.19 3.53 0.033 56. LP ( 3) S 6 943. RY (17) C 15 0.26 4.66 0.044 56. LP ( 3) S 6 944. RY (18) C 15 0.07 4.18 0.021 56. LP ( 3) S 6 960. RY (34) C 15 0.04 5.46 0.018 56. LP ( 3) S 6 961. RY (35) C 15 0.03 3.83 0.013 56. LP ( 3) S 6 979. RY ( 1) H 16 0.33 1.56 0.029 56. LP ( 3) S 6 982. RY ( 4) H 16 0.26 1.80 0.027 56. LP ( 3) S 6 1037. RY ( 1) H 18 0.09 2.94 0.021 56. LP ( 3) S 6 1038. RY ( 2) H 18 0.04 1.91 0.011 56. LP ( 3) S 6 1040. RY ( 4) H 18 0.24 1.96 0.027 56. LP ( 3) S 6 1066. RY ( 1) H 19 0.38 1.39 0.029 56. LP ( 3) S 6 1069. RY ( 4) H 19 0.24 1.89 0.027 56. LP ( 3) S 6 1098. RY ( 4) H 20 0.09 1.48 0.014 56. LP ( 3) S 6 1127. RY ( 4) H 21 0.17 1.56 0.020 56. LP ( 3) S 6 1153. RY ( 1) H 22 0.20 1.69 0.023 56. LP ( 3) S 6 1156. RY ( 4) H 22 0.25 1.65 0.026 56. LP ( 3) S 6 1214. RY ( 4) H 24 0.03 1.33 0.008 56. LP ( 3) S 6 1243. RY ( 4) H 25 0.12 1.95 0.019 56. LP ( 3) S 6 1244. RY ( 5) H 25 0.07 3.47 0.020 56. LP ( 3) S 6 1270. RY ( 2) H 26 0.03 3.13 0.013 56. LP ( 3) S 6 1272. RY ( 4) H 26 0.10 3.26 0.023 56. LP ( 3) S 6 1273. RY ( 5) H 26 0.06 2.44 0.015 56. LP ( 3) S 6 1298. RY ( 1) H 27 0.03 1.55 0.009 56. LP ( 3) S 6 1299. RY ( 2) H 27 0.03 2.83 0.012 56. LP ( 3) S 6 1309. RY (12) H 27 0.03 4.81 0.015 56. LP ( 3) S 6 1330. RY ( 4) H 28 0.08 3.26 0.021 56. LP ( 3) S 6 1331. RY ( 5) H 28 0.07 2.38 0.016 56. LP ( 3) S 6 1356. RY ( 1) H 29 0.11 1.65 0.017 56. LP ( 3) S 6 1357. RY ( 2) H 29 0.04 3.62 0.015 56. LP ( 3) S 6 1358. RY ( 3) H 29 0.07 3.30 0.020 56. LP ( 3) S 6 1359. RY ( 4) H 29 0.06 3.66 0.018 56. LP ( 3) S 6 1360. RY ( 5) H 29 0.07 2.19 0.015 56. LP ( 3) S 6 1365. RY (10) H 29 0.03 5.09 0.017 56. LP ( 3) S 6 1378. RY (23) H 29 0.04 4.60 0.018 59. BD ( 1) S 2- S 3 87. LV ( 1)Tc 1 0.47 1.13 0.029 59. BD ( 1) S 2- S 3 115. 3Cn( 1)Tc1-C12-C13 1.02 0.55 0.030 59. BD ( 1) S 2- S 3 116. 3Cn( 1)Tc1-C14-C15 0.05 0.54 0.006 59. BD ( 1) S 2- S 3 117. 3C*( 1)Tc1-C12-C13 0.92 0.56 0.029 59. BD ( 1) S 2- S 3 119. RY ( 1)Tc 1 0.67 2.86 0.055 59. BD ( 1) S 2- S 3 120. RY ( 2)Tc 1 0.04 3.08 0.014 59. BD ( 1) S 2- S 3 121. RY ( 3)Tc 1 1.23 3.19 0.079 59. BD ( 1) S 2- S 3 122. RY ( 4)Tc 1 0.06 1.77 0.013 59. BD ( 1) S 2- S 3 124. RY ( 6)Tc 1 0.13 3.52 0.027 59. BD ( 1) S 2- S 3 125. RY ( 7)Tc 1 0.16 3.26 0.029 59. BD ( 1) S 2- S 3 126. RY ( 8)Tc 1 0.07 2.70 0.018 59. BD ( 1) S 2- S 3 135. RY (17)Tc 1 0.03 3.03 0.012 59. BD ( 1) S 2- S 3 136. RY (18)Tc 1 0.06 2.67 0.016 59. BD ( 1) S 2- S 3 137. RY (19)Tc 1 0.04 3.33 0.014 59. BD ( 1) S 2- S 3 138. RY (20)Tc 1 0.06 5.12 0.021 59. BD ( 1) S 2- S 3 140. RY (22)Tc 1 0.05 3.48 0.017 59. BD ( 1) S 2- S 3 144. RY (26)Tc 1 0.03 3.12 0.012 59. BD ( 1) S 2- S 3 555. RY ( 2) C 8 0.03 2.47 0.011 59. BD ( 1) S 2- S 3 727. RY ( 9) C 11 0.04 3.00 0.013 59. BD ( 1) S 2- S 3 823. RY ( 1) C 13 0.06 2.01 0.014 60. BD ( 1) S 3- S 4 87. LV ( 1)Tc 1 0.15 1.14 0.016 60. BD ( 1) S 3- S 4 88. BD*( 1)Tc 1- P 10 0.07 0.59 0.008 60. BD ( 1) S 3- S 4 115. 3Cn( 1)Tc1-C12-C13 0.36 0.57 0.018 60. BD ( 1) S 3- S 4 116. 3Cn( 1)Tc1-C14-C15 0.19 0.56 0.013 60. BD ( 1) S 3- S 4 117. 3C*( 1)Tc1-C12-C13 0.22 0.57 0.014 60. BD ( 1) S 3- S 4 118. 3C*( 1)Tc1-C14-C15 0.08 0.56 0.008 60. BD ( 1) S 3- S 4 119. RY ( 1)Tc 1 0.34 2.88 0.039 60. BD ( 1) S 3- S 4 120. RY ( 2)Tc 1 0.12 3.10 0.024 60. BD ( 1) S 3- S 4 121. RY ( 3)Tc 1 0.16 3.20 0.028 60. BD ( 1) S 3- S 4 123. RY ( 5)Tc 1 0.03 2.16 0.010 60. BD ( 1) S 3- S 4 126. RY ( 8)Tc 1 0.40 2.72 0.041 60. BD ( 1) S 3- S 4 129. RY (11)Tc 1 0.20 4.04 0.036 60. BD ( 1) S 3- S 4 132. RY (14)Tc 1 0.05 5.70 0.022 60. BD ( 1) S 3- S 4 135. RY (17)Tc 1 0.13 3.04 0.025 60. BD ( 1) S 3- S 4 138. RY (20)Tc 1 0.23 5.13 0.043 60. BD ( 1) S 3- S 4 139. RY (21)Tc 1 0.03 3.51 0.014 60. BD ( 1) S 3- S 4 192. RY (74)Tc 1 0.07 5.83 0.025 60. BD ( 1) S 3- S 4 658. RY ( 1) P 10 0.04 2.11 0.012 60. BD ( 1) S 3- S 4 662. RY ( 5) P 10 0.07 2.40 0.016 60. BD ( 1) S 3- S 4 665. RY ( 8) P 10 0.05 2.86 0.015 60. BD ( 1) S 3- S 4 667. RY (10) P 10 0.03 2.94 0.011 60. BD ( 1) S 3- S 4 674. RY (17) P 10 0.03 3.55 0.014 60. BD ( 1) S 3- S 4 675. RY (18) P 10 0.03 2.87 0.012 60. BD ( 1) S 3- S 4 676. RY (19) P 10 0.07 5.10 0.023 60. BD ( 1) S 3- S 4 719. RY ( 1) C 11 0.03 2.62 0.011 60. BD ( 1) S 3- S 4 771. RY ( 1) C 12 0.03 1.98 0.009 60. BD ( 1) S 3- S 4 875. RY ( 1) C 14 0.03 2.09 0.009 61. BD ( 1) S 4- S 5 87. LV ( 1)Tc 1 0.14 1.14 0.016 61. BD ( 1) S 4- S 5 88. BD*( 1)Tc 1- P 10 0.07 0.59 0.008 61. BD ( 1) S 4- S 5 115. 3Cn( 1)Tc1-C12-C13 0.19 0.57 0.013 61. BD ( 1) S 4- S 5 116. 3Cn( 1)Tc1-C14-C15 0.34 0.56 0.017 61. BD ( 1) S 4- S 5 117. 3C*( 1)Tc1-C12-C13 0.10 0.57 0.010 61. BD ( 1) S 4- S 5 118. 3C*( 1)Tc1-C14-C15 0.18 0.56 0.013 61. BD ( 1) S 4- S 5 119. RY ( 1)Tc 1 0.33 2.88 0.039 61. BD ( 1) S 4- S 5 120. RY ( 2)Tc 1 0.21 3.10 0.032 61. BD ( 1) S 4- S 5 122. RY ( 4)Tc 1 0.03 1.79 0.009 61. BD ( 1) S 4- S 5 125. RY ( 7)Tc 1 0.03 3.27 0.012 61. BD ( 1) S 4- S 5 126. RY ( 8)Tc 1 0.36 2.72 0.039 61. BD ( 1) S 4- S 5 128. RY (10)Tc 1 0.04 2.84 0.013 61. BD ( 1) S 4- S 5 129. RY (11)Tc 1 0.15 4.04 0.031 61. BD ( 1) S 4- S 5 133. RY (15)Tc 1 0.04 3.01 0.013 61. BD ( 1) S 4- S 5 134. RY (16)Tc 1 0.07 2.61 0.017 61. BD ( 1) S 4- S 5 135. RY (17)Tc 1 0.15 3.04 0.027 61. BD ( 1) S 4- S 5 138. RY (20)Tc 1 0.18 5.13 0.038 61. BD ( 1) S 4- S 5 139. RY (21)Tc 1 0.04 3.51 0.015 61. BD ( 1) S 4- S 5 142. RY (24)Tc 1 0.03 3.84 0.014 61. BD ( 1) S 4- S 5 192. RY (74)Tc 1 0.07 5.83 0.025 61. BD ( 1) S 4- S 5 658. RY ( 1) P 10 0.04 2.11 0.012 61. BD ( 1) S 4- S 5 662. RY ( 5) P 10 0.06 2.40 0.015 61. BD ( 1) S 4- S 5 665. RY ( 8) P 10 0.06 2.86 0.016 61. BD ( 1) S 4- S 5 667. RY (10) P 10 0.03 2.94 0.011 61. BD ( 1) S 4- S 5 674. RY (17) P 10 0.04 3.55 0.015 61. BD ( 1) S 4- S 5 675. RY (18) P 10 0.03 2.87 0.012 61. BD ( 1) S 4- S 5 676. RY (19) P 10 0.06 5.09 0.023 61. BD ( 1) S 4- S 5 719. RY ( 1) C 11 0.03 2.62 0.011 61. BD ( 1) S 4- S 5 927. RY ( 1) C 15 0.04 2.06 0.011 62. BD ( 1) S 5- S 6 87. LV ( 1)Tc 1 0.35 1.13 0.025 62. BD ( 1) S 5- S 6 115. 3Cn( 1)Tc1-C12-C13 0.03 0.56 0.005 62. BD ( 1) S 5- S 6 116. 3Cn( 1)Tc1-C14-C15 1.04 0.55 0.030 62. BD ( 1) S 5- S 6 118. 3C*( 1)Tc1-C14-C15 0.91 0.55 0.028 62. BD ( 1) S 5- S 6 119. RY ( 1)Tc 1 0.63 2.86 0.054 62. BD ( 1) S 5- S 6 120. RY ( 2)Tc 1 0.08 3.09 0.019 62. BD ( 1) S 5- S 6 121. RY ( 3)Tc 1 1.24 3.19 0.079 62. BD ( 1) S 5- S 6 122. RY ( 4)Tc 1 0.30 1.78 0.029 62. BD ( 1) S 5- S 6 123. RY ( 5)Tc 1 0.05 2.15 0.014 62. BD ( 1) S 5- S 6 124. RY ( 6)Tc 1 0.09 3.53 0.023 62. BD ( 1) S 5- S 6 125. RY ( 7)Tc 1 0.05 3.26 0.016 62. BD ( 1) S 5- S 6 126. RY ( 8)Tc 1 0.19 2.71 0.029 62. BD ( 1) S 5- S 6 128. RY (10)Tc 1 0.06 2.83 0.017 62. BD ( 1) S 5- S 6 134. RY (16)Tc 1 0.06 2.60 0.016 62. BD ( 1) S 5- S 6 136. RY (18)Tc 1 0.05 2.67 0.015 62. BD ( 1) S 5- S 6 137. RY (19)Tc 1 0.05 3.33 0.015 62. BD ( 1) S 5- S 6 140. RY (22)Tc 1 0.03 3.48 0.013 62. BD ( 1) S 5- S 6 663. RY ( 6) P 10 0.03 1.83 0.009 62. BD ( 1) S 5- S 6 727. RY ( 9) C 11 0.03 3.01 0.011 62. BD ( 1) S 5- S 6 875. RY ( 1) C 14 0.10 2.08 0.018 within unit 2 45. LP ( 1) S 2 260. RY ( 3) S 3 0.28 1.09 0.022 46. LP ( 2) S 2 90. BD*( 1) S 3- S 4 3.20 0.27 0.037 46. LP ( 2) S 2 201. RY ( 5) S 2 0.81 3.25 0.065 46. LP ( 2) S 2 204. RY ( 8) S 2 1.71 3.20 0.093 46. LP ( 2) S 2 258. RY ( 1) S 3 1.44 0.91 0.046 46. LP ( 2) S 2 445. RY ( 5) S 6 0.48 3.14 0.049 46. LP ( 2) S 2 446. RY ( 6) S 6 0.36 2.58 0.038 46. LP ( 2) S 2 448. RY ( 8) S 6 0.45 2.86 0.045 47. LP ( 3) S 2 89. BD*( 1) S 2- S 3 3.96 0.27 0.042 47. LP ( 3) S 2 197. RY ( 1) S 2 1.19 1.13 0.046 47. LP ( 3) S 2 198. RY ( 2) S 2 5.75 1.32 0.110 47. LP ( 3) S 2 199. RY ( 3) S 2 0.51 1.37 0.033 47. LP ( 3) S 2 201. RY ( 5) S 2 9.43 3.26 0.221 47. LP ( 3) S 2 202. RY ( 6) S 2 4.18 2.41 0.127 47. LP ( 3) S 2 204. RY ( 8) S 2 12.27 3.20 0.250 47. LP ( 3) S 2 208. RY (12) S 2 0.29 2.19 0.032 47. LP ( 3) S 2 209. RY (13) S 2 0.60 1.61 0.039 47. LP ( 3) S 2 211. RY (15) S 2 1.50 2.84 0.082 47. LP ( 3) S 2 213. RY (17) S 2 1.78 2.93 0.091 47. LP ( 3) S 2 216. RY (20) S 2 0.88 2.93 0.064 47. LP ( 3) S 2 260. RY ( 3) S 3 1.26 0.85 0.041 47. LP ( 3) S 2 442. RY ( 2) S 6 2.24 1.35 0.069 47. LP ( 3) S 2 443. RY ( 3) S 6 1.08 1.44 0.050 47. LP ( 3) S 2 445. RY ( 5) S 6 6.62 3.14 0.182 47. LP ( 3) S 2 446. RY ( 6) S 6 3.39 2.59 0.118 47. LP ( 3) S 2 448. RY ( 8) S 6 5.47 2.87 0.158 47. LP ( 3) S 2 452. RY (12) S 6 0.32 2.27 0.034 47. LP ( 3) S 2 455. RY (15) S 6 0.39 3.36 0.046 47. LP ( 3) S 2 459. RY (19) S 6 0.52 2.70 0.047 47. LP ( 3) S 2 460. RY (20) S 6 0.35 3.34 0.043 49. LP ( 2) S 3 91. BD*( 1) S 4- S 5 3.78 0.29 0.042 49. LP ( 2) S 3 197. RY ( 1) S 2 0.53 1.15 0.031 49. LP ( 2) S 3 198. RY ( 2) S 2 0.54 1.34 0.034 49. LP ( 2) S 3 263. RY ( 6) S 3 0.45 1.84 0.036 49. LP ( 2) S 3 319. RY ( 1) S 4 1.45 1.00 0.048 49. LP ( 2) S 3 320. RY ( 2) S 4 0.33 0.92 0.022 51. LP ( 2) S 4 89. BD*( 1) S 2- S 3 2.89 0.30 0.037 51. LP ( 2) S 4 92. BD*( 1) S 5- S 6 2.76 0.31 0.037 51. LP ( 2) S 4 258. RY ( 1) S 3 1.28 0.95 0.044 51. LP ( 2) S 4 259. RY ( 2) S 3 0.37 0.92 0.023 51. LP ( 2) S 4 324. RY ( 6) S 4 0.25 1.96 0.028 51. LP ( 2) S 4 380. RY ( 1) S 5 1.28 0.95 0.044 51. LP ( 2) S 4 381. RY ( 2) S 5 0.37 0.92 0.023 53. LP ( 2) S 5 90. BD*( 1) S 3- S 4 3.73 0.29 0.041 53. LP ( 2) S 5 319. RY ( 1) S 4 1.39 1.00 0.047 53. LP ( 2) S 5 320. RY ( 2) S 4 0.35 0.92 0.023 53. LP ( 2) S 5 385. RY ( 6) S 5 0.43 1.80 0.035 53. LP ( 2) S 5 441. RY ( 1) S 6 0.57 1.15 0.032 53. LP ( 2) S 5 442. RY ( 2) S 6 0.54 1.37 0.034 54. LP ( 1) S 6 382. RY ( 3) S 5 0.28 1.08 0.022 55. LP ( 2) S 6 91. BD*( 1) S 4- S 5 3.19 0.27 0.037 55. LP ( 2) S 6 201. RY ( 5) S 2 0.42 3.25 0.047 55. LP ( 2) S 6 204. RY ( 8) S 2 0.37 3.20 0.044 55. LP ( 2) S 6 380. RY ( 1) S 5 1.43 0.92 0.046 55. LP ( 2) S 6 442. RY ( 2) S 6 0.29 1.35 0.025 55. LP ( 2) S 6 445. RY ( 5) S 6 0.81 3.14 0.064 55. LP ( 2) S 6 448. RY ( 8) S 6 1.49 2.86 0.082 56. LP ( 3) S 6 92. BD*( 1) S 5- S 6 4.32 0.28 0.044 56. LP ( 3) S 6 198. RY ( 2) S 2 1.46 1.32 0.055 56. LP ( 3) S 6 199. RY ( 3) S 2 1.51 1.37 0.057 56. LP ( 3) S 6 201. RY ( 5) S 2 7.21 3.26 0.193 56. LP ( 3) S 6 202. RY ( 6) S 2 2.34 2.41 0.095 56. LP ( 3) S 6 204. RY ( 8) S 2 5.97 3.20 0.175 56. LP ( 3) S 6 208. RY (12) S 2 0.30 2.19 0.033 56. LP ( 3) S 6 211. RY (15) S 2 0.36 2.84 0.040 56. LP ( 3) S 6 213. RY (17) S 2 0.80 2.93 0.061 56. LP ( 3) S 6 216. RY (20) S 2 0.34 2.93 0.040 56. LP ( 3) S 6 382. RY ( 3) S 5 1.20 0.84 0.040 56. LP ( 3) S 6 441. RY ( 1) S 6 1.31 1.13 0.049 56. LP ( 3) S 6 442. RY ( 2) S 6 6.97 1.35 0.123 56. LP ( 3) S 6 443. RY ( 3) S 6 0.32 1.44 0.027 56. LP ( 3) S 6 445. RY ( 5) S 6 9.99 3.15 0.224 56. LP ( 3) S 6 446. RY ( 6) S 6 5.24 2.59 0.147 56. LP ( 3) S 6 448. RY ( 8) S 6 12.07 2.87 0.235 56. LP ( 3) S 6 452. RY (12) S 6 0.82 2.27 0.055 56. LP ( 3) S 6 455. RY (15) S 6 1.29 3.36 0.083 56. LP ( 3) S 6 457. RY (17) S 6 0.59 2.61 0.049 56. LP ( 3) S 6 459. RY (19) S 6 0.74 2.70 0.056 56. LP ( 3) S 6 460. RY (20) S 6 0.98 3.34 0.072 56. LP ( 3) S 6 483. RY (43) S 6 0.30 3.08 0.039 59. BD ( 1) S 2- S 3 90. BD*( 1) S 3- S 4 0.48 0.54 0.020 59. BD ( 1) S 2- S 3 322. RY ( 4) S 4 0.25 1.21 0.022 60. BD ( 1) S 3- S 4 91. BD*( 1) S 4- S 5 0.35 0.55 0.018 60. BD ( 1) S 3- S 4 200. RY ( 4) S 2 0.65 1.62 0.041 60. BD ( 1) S 3- S 4 383. RY ( 4) S 5 0.43 1.29 0.030 61. BD ( 1) S 4- S 5 90. BD*( 1) S 3- S 4 0.35 0.55 0.018 61. BD ( 1) S 4- S 5 261. RY ( 4) S 3 0.45 1.30 0.030 61. BD ( 1) S 4- S 5 443. RY ( 3) S 6 0.36 1.72 0.031 61. BD ( 1) S 4- S 5 444. RY ( 4) S 6 0.46 1.50 0.033 62. BD ( 1) S 5- S 6 91. BD*( 1) S 4- S 5 0.48 0.54 0.020 62. BD ( 1) S 5- S 6 322. RY ( 4) S 4 0.25 1.21 0.022 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C8H14PTc) ------ Lewis -------------------------------------- 1. CR ( 1)Tc 1 0.99997 -2.79256 2. CR ( 2)Tc 1 0.99991 -1.70059 3. CR ( 3)Tc 1 0.99990 -1.72008 4. CR ( 4)Tc 1 0.99990 -1.72225 30. CR ( 1) C 7 0.99999 -10.19389 31. CR ( 1) C 8 0.99999 -10.18990 32. CR ( 1) C 9 0.99999 -10.19906 33. CR ( 1) P 10 1.00000 -72.78063 34. CR ( 2) P 10 1.00000 -10.68411 35. CR ( 3) P 10 1.00000 -4.70738 36. CR ( 4) P 10 1.00000 -4.70919 37. CR ( 5) P 10 1.00000 -4.71044 38. CR ( 1) C 11 0.99999 -10.20899 39. CR ( 1) C 12 0.99999 -10.21695 40. CR ( 1) C 13 0.99999 -10.21799 41. CR ( 1) C 14 0.99999 -10.21502 42. CR ( 1) C 15 0.99999 -10.21614 43. LP ( 1)Tc 1 0.92996 -0.19090 658(v),117(g),88(g),118(g) 87(g),97(v),120(g),665(v) 201(r),126(g),132(g),445(r) 138(g),204(r),448(r),124(g) 676(v),131(g),101(v),192(g) 446(r),441(r),927(v),773(v) 199(r),202(r),929(v),125(g) 197(r),662(v),771(v),442(r) 130(g),111(v),719(r),113(v) 674(v),443(r),129(g),721(r) 107(r),114(v),152(g),669(v) 109(v),156(g),678(v),663(v) 198(r),141(g),164(g),169(g) 161(g),92(r),208(r),89(r) 444(r),216(r),261(r),453(r) 383(r),211(r),455(r),213(r) 460(r),382(r),260(r),200(r) 457(r),91(r),452(r),90(r) 269(r),385(r),483(r),263(r) 210(r),468(r),391(r) 44. LP ( 2)Tc 1 0.88444 -0.18572 118(g),117(g),116(g),89(r) 93(v),92(r),115(g),659(v) 927(v),197(r),771(v),664(v) 441(r),101(v),97(v),875(v) 823(v),262(r),384(r),205(r) 260(r),443(r),382(r),263(r) 385(r),449(r),453(r),209(r) 203(r),198(r),266(r),447(r) 388(r),445(r),304(r),199(r) 250(r),289(r),411(r) 57. LP ( 1) C 11 0.51352 -0.12669 88(r),118(v),117(v),116(v) 115(v),87(r),722(g),105(g) 106(g),120(r),774(v),138(r) 930(v),728(g),730(g),124(r) 927(v),726(g),132(r),771(v) 119(r),676(r),662(r),201(r) 445(r),129(r),204(r),721(g) 125(r),131(r),1242(v) 448(r),723(g),665(r),778(v) 752(g),192(r),446(r),934(v) 141(r),126(r),1243(v) 127(r),938(v),202(r) 1244(v),783(v),151(r) 674(r),442(r),199(r),213(r) 443(r),198(r),89(r),264(r) 386(r),459(r),92(r),380(r) 216(r),258(r),460(r),211(r) 455(r) 58. BD ( 1)Tc 1- P 10 0.97834 -0.36028 875(v),119(g),201(r),445(r) 102(v),94(v),98(v),132(g) 116(g),101(g),115(g),823(v) 448(r),93(g),204(r),92(r) 719(r),120(g),89(r),97(g) 446(r),131(g),138(g),202(r) 87(g),126(g),554(v),140(g) 199(r),443(r),264(r),205(r) 208(r),386(r),207(r),263(r) 449(r),267(r),258(r),269(r) 380(r),442(r),385(r),459(r) 63. BD ( 1) C 7- P 10 0.98964 -0.47727 554(v),606(v),103(v),100(v) 101(g),97(g),88(g),981(v) 677(g),1039(v),561(v) 555(v),613(v),441(r),210(r) 205(r),92(r),446(r) 64. BD ( 1) C 7- H 16 0.99396 -0.47198 88(v),1037(v),1008(v) 65. BD ( 1) C 7- H 17 0.99300 -0.46986 97(v),980(v),660(v) 66. BD ( 1) C 7- H 18 0.99178 -0.46841 101(v),660(v),980(v),92(r) 445(r) 67. BD ( 1) C 8- P 10 0.99002 -0.47647 606(v),502(v),104(v),95(v) 665(g),93(g),101(g),88(g) 613(v),1068(v),131(v) 137(v),509(v),1125(v) 504(v),677(g),142(v),202(r) 446(r),197(r) 68. BD ( 1) C 8- H 19 0.99405 -0.46867 88(v),1095(v),1124(v) 69. BD ( 1) C 8- H 20 0.99241 -0.46181 101(v),1067(v),661(v) 1124(v) 70. BD ( 1) C 8- H 21 0.99185 -0.46489 93(v),1067(v),660(v),89(r) 71. BD ( 1) C 9- P 10 0.98986 -0.48050 502(v),554(v),663(g),96(v) 97(g),99(v),93(g),88(g) 509(v),131(v),677(g) 1155(v),142(v),713(g) 503(v),1212(v),561(v) 72. BD ( 1) C 9- H 22 0.99403 -0.47597 88(v),1182(v),1211(v) 660(v) 73. BD ( 1) C 9- H 23 0.99320 -0.47403 93(v),661(v),1154(v) 1211(v) 74. BD ( 1) C 9- H 24 0.99268 -0.47568 97(v),661(v),1154(v) 75. BD ( 1) C 11- C 12 0.98715 -0.56319 88(v),114(v),111(v),117(g) 928(v),824(v),825(v) 1270(v),927(v),1242(v) 76. BD ( 1) C 11- C 15 0.98668 -0.56460 88(v),109(v),113(v),118(g) 772(v),876(v),771(v),877(v) 1328(v) 77. BD ( 1) C 11- H 25 0.99093 -0.48227 88(r),112(v),108(v),929(v) 773(v),932(v),776(v),939(v) 78. BD ( 1) C 12- C 13 0.98667 -0.55573 107(v),113(v),720(v),876(v) 1299(v),87(v),1271(v) 115(g),1269(v),199(r) 79. BD ( 1) C 12- H 26 0.99073 -0.48559 106(v),110(v),721(v),87(v) 825(v),117(g),824(v),830(v) 80. BD ( 1) C 13- C 14 0.98276 -0.53897 116(g),115(g),109(v),114(v) 928(v),772(v),118(g),117(g) 1357(v),1300(v) 81. BD ( 1) C 13- H 27 0.99109 -0.49151 115(g),105(v),112(v),877(v) 773(v),881(v),778(v),771(v) 82. BD ( 1) C 14- C 15 0.98663 -0.55595 107(v),111(v),824(v),720(v) 1329(v),87(v),1358(v) 116(g) 83. BD ( 1) C 14- H 29 0.99072 -0.48907 116(g),106(v),108(v),825(v) 929(v),829(v),932(v),934(v) 87(v) 84. BD ( 1) C 15- H 28 0.99086 -0.48504 110(v),105(v),721(v),877(v) 87(v),118(g) 85. 3C ( 1)Tc 1- C 12- C 13 0.91554 -0.32353 118(g),88(g),87(g),116(g) 120(g),138(g),132(g),125(g) 119(g),445(r),124(g),204(r) 448(r),676(v),115(g),129(g) 662(v),131(g),201(r),665(v) 126(g),927(v),719(v),110(g) 446(r),192(g),130(g),141(g) 674(v),773(g),678(v),146(g) 675(v),929(v),127(g),169(g) 875(v),117(g),161(g),151(g) 152(g),722(v),189(g),139(g) 167(g),202(r),442(r),658(v) 164(g),170(g),668(v),121(g) 671(v),878(v),728(v),156(g) 168(g),823(g),771(g),105(g) 113(v),667(v),134(g),825(g) 721(v),163(g),145(g),730(v) 174(g),177(g),889(v),109(g) 185(g),213(r),937(v),669(v) 198(r),97(v),879(v),193(g) 723(v),111(g),877(v),443(r) 165(g),1272(v),157(g) 781(g),166(g),147(g),158(g) 122(g),935(v),459(r),928(v) 135(g),1301(v),455(r) 191(g),144(g),171(g),833(g) 606(r),660(v),1066(r) 554(r),882(v),211(r),460(r) 386(r),233(r),216(r),441(r) 452(r),203(r),444(r),447(r) 450(r),208(r),324(r),199(r) 393(r),332(r),261(r),269(r) 483(r),384(r),383(r),264(r) 457(r),480(r),212(r),205(r) 319(r),322(r),229(r),237(r) 381(r),209(r),470(r),389(r) 268(r),388(r),227(r),328(r) 449(r),200(r),215(r),421(r) 197(r),259(r),267(r) 86. 3C ( 1)Tc 1- C 14- C 15 0.91473 -0.32130 117(g),87(g),120(g),88(g) 115(g),138(g),132(g),201(r) 119(g),125(g),124(g),204(r) 448(r),676(v),131(g),662(v) 116(g),445(r),129(g),665(v) 126(g),110(g),719(v),192(g) 141(g),771(v),674(v),202(r) 130(g),127(g),773(v),151(g) 929(g),675(v),139(g),446(r) 169(g),146(g),678(v),875(g) 722(v),927(g),161(g),152(g) 167(g),118(g),189(g),156(g) 658(v),823(v),164(g),728(v) 668(v),671(v),442(r),168(g) 170(g),199(r),111(v),147(g) 667(v),106(g),163(g),827(v) 772(v),185(g),877(g),721(v) 177(g),128(g),730(v),669(v) 174(g),122(g),198(r),114(g) 145(g),144(g),193(g),134(g) 166(g),781(v),121(g),937(g) 825(v),213(r),723(v),113(g) 1330(v),666(v),826(v) 836(v),135(g),165(g),157(g) 1359(v),211(r),158(g) 171(g),459(r),824(v),502(r) 680(v),455(r),97(v),460(r) 216(r),452(r),264(r),483(r) 203(r),262(r),197(r),450(r) 480(r),324(r),332(r),233(r) 383(r),269(r),457(r),447(r) 386(r),261(r),470(r),212(r) 441(r),271(r),200(r),209(r) 208(r),322(r),389(r),259(r) 443(r),319(r),206(r),215(r) 207(r),390(r),391(r),329(r) 266(r),229(r),237(r),380(r) 210(r),393(r) ------ non-Lewis ---------------------------------- 87. LV ( 1)Tc 1 0.32601 0.63050 88. BD*( 1)Tc 1- P 10 0.22062 0.07974 93. BD*( 1) C 7- P 10 0.03391 0.19396 94. BD*( 1) C 7- H 16 0.00497 0.34817 95. BD*( 1) C 7- H 17 0.00254 0.34953 96. BD*( 1) C 7- H 18 0.00300 0.35886 97. BD*( 1) C 8- P 10 0.03095 0.19774 98. BD*( 1) C 8- H 19 0.00434 0.35053 99. BD*( 1) C 8- H 20 0.00250 0.36083 100. BD*( 1) C 8- H 21 0.00258 0.36006 101. BD*( 1) C 9- P 10 0.03134 0.19506 102. BD*( 1) C 9- H 22 0.00481 0.34643 103. BD*( 1) C 9- H 23 0.00244 0.35036 104. BD*( 1) C 9- H 24 0.00268 0.34129 105. BD*( 1) C 11- C 12 0.00794 0.46096 106. BD*( 1) C 11- C 15 0.00788 0.46468 107. BD*( 1) C 11- H 25 0.00699 0.41527 108. BD*( 1) C 12- C 13 0.01097 0.44236 109. BD*( 1) C 12- H 26 0.00772 0.40062 110. BD*( 1) C 13- C 14 0.01647 0.42074 111. BD*( 1) C 13- H 27 0.00889 0.38882 112. BD*( 1) C 14- C 15 0.01059 0.44680 113. BD*( 1) C 14- H 29 0.00842 0.39443 114. BD*( 1) C 15- H 28 0.00783 0.40169 115. 3Cn( 1)Tc 1- C 12- C 13 0.33936 0.05820 116. 3Cn( 1)Tc 1- C 14- C 15 0.34635 0.04779 117. 3C*( 1)Tc 1- C 12- C 13 0.19577 0.06121 118. 3C*( 1)Tc 1- C 14- C 15 0.19693 0.05411 119. RY ( 1)Tc 1 0.00790 2.36622 120. RY ( 2)Tc 1 0.00367 2.58877 121. RY ( 3)Tc 1 0.00355 2.69044 122. RY ( 4)Tc 1 0.00227 1.27765 123. RY ( 5)Tc 1 0.00199 1.64765 124. RY ( 6)Tc 1 0.00183 3.02767 125. RY ( 7)Tc 1 0.00174 2.76328 126. RY ( 8)Tc 1 0.00147 2.20959 127. RY ( 9)Tc 1 0.00106 2.12140 128. RY (10)Tc 1 0.00096 2.32903 129. RY (11)Tc 1 0.00087 3.52642 130. RY (12)Tc 1 0.00065 3.32330 131. RY (13)Tc 1 0.00057 5.75511 132. RY (14)Tc 1 0.00045 5.18966 133. RY (15)Tc 1 0.00040 2.49993 134. RY (16)Tc 1 0.00037 2.09818 135. RY (17)Tc 1 0.00029 2.53499 136. RY (18)Tc 1 0.00025 2.17196 137. RY (19)Tc 1 0.00022 2.83619 138. RY (20)Tc 1 0.00017 4.62132 139. RY (21)Tc 1 0.00013 3.00504 140. RY (22)Tc 1 0.00012 2.98231 141. RY (23)Tc 1 0.00010 3.42383 142. RY (24)Tc 1 0.00008 3.33459 143. RY (25)Tc 1 0.00006 2.37456 144. RY (26)Tc 1 0.00005 2.62023 145. RY (27)Tc 1 0.00004 2.70833 146. RY (28)Tc 1 0.00003 3.99910 147. RY (29)Tc 1 0.00003 3.32774 148. RY (30)Tc 1 0.00002 3.34390 149. RY (31)Tc 1 0.00002 3.62058 150. RY (32)Tc 1 0.00001 3.93806 151. RY (33)Tc 1 0.00001 4.46682 152. RY (34)Tc 1 0.00001 5.12927 153. RY (35)Tc 1 0.00000 3.73246 154. RY (36)Tc 1 0.00000 3.76377 155. RY (37)Tc 1 0.00001 4.27727 156. RY (38)Tc 1 0.00001 3.38617 157. RY (39)Tc 1 0.00000 5.34760 158. RY (40)Tc 1 0.00000 5.83849 159. RY (41)Tc 1 0.00000 4.17290 160. RY (42)Tc 1 0.00000 4.26382 161. RY (43)Tc 1 0.00000 3.77370 162. RY (44)Tc 1 0.00000 4.52099 163. RY (45)Tc 1 0.00000 5.17509 164. RY (46)Tc 1 0.00000 11.62806 165. RY (47)Tc 1 0.00000 11.90305 166. RY (48)Tc 1 0.00000 8.01968 167. RY (49)Tc 1 0.00000 8.43563 168. RY (50)Tc 1 0.00000 9.88923 169. RY (51)Tc 1 0.00000 23.52763 170. RY (52)Tc 1 0.00000 13.94179 171. RY (53)Tc 1 0.00000 6.72450 172. RY (54)Tc 1 0.00000 4.29239 173. RY (55)Tc 1 0.00000 5.47020 174. RY (56)Tc 1 0.00000 7.76956 175. RY (57)Tc 1 0.00000 11.23088 176. RY (58)Tc 1 0.00000 4.34456 177. RY (59)Tc 1 0.00000 5.11454 178. RY (60)Tc 1 0.00000 5.11342 179. RY (61)Tc 1 0.00000 3.81629 180. RY (62)Tc 1 0.00000 3.28491 181. RY (63)Tc 1 0.00000 4.36780 182. RY (64)Tc 1 0.00000 5.02120 183. RY (65)Tc 1 0.00000 5.49985 184. RY (66)Tc 1 0.00000 4.61512 185. RY (67)Tc 1 0.00000 4.12620 186. RY (68)Tc 1 0.00000 4.97631 187. RY (69)Tc 1 0.00000 4.42086 188. RY (70)Tc 1 0.00000 3.88282 189. RY (71)Tc 1 0.00000 5.27756 190. RY (72)Tc 1 0.00000 3.30029 191. RY (73)Tc 1 0.00000 4.38511 192. RY (74)Tc 1 0.00000 5.31762 193. RY (75)Tc 1 0.00000 3.97949 194. RY (76)Tc 1 0.00000 3.41292 195. RY (77)Tc 1 0.00000 4.76712 196. RY (78)Tc 1 0.00000 4.25620 502. RY ( 1) C 7 0.00127 2.66987 503. RY ( 2) C 7 0.00052 1.96732 504. RY ( 3) C 7 0.00027 1.35380 505. RY ( 4) C 7 0.00018 1.49897 506. RY ( 5) C 7 0.00011 1.32011 507. RY ( 6) C 7 0.00009 1.58320 508. RY ( 7) C 7 0.00008 1.50500 509. RY ( 8) C 7 0.00005 1.29993 510. RY ( 9) C 7 0.00002 2.52936 511. RY (10) C 7 0.00002 2.54493 512. RY (11) C 7 0.00001 2.38249 513. RY (12) C 7 0.00001 2.29325 514. RY (13) C 7 0.00001 2.45914 515. RY (14) C 7 0.00001 2.91404 516. RY (15) C 7 0.00000 3.20987 517. RY (16) C 7 0.00000 6.56101 518. RY (17) C 7 0.00000 8.05862 519. RY (18) C 7 0.00000 6.49310 520. RY (19) C 7 0.00000 7.15687 521. RY (20) C 7 0.00000 7.30832 522. RY (21) C 7 0.00000 7.85300 523. RY (22) C 7 0.00000 7.07205 524. RY (23) C 7 0.00000 6.70532 525. RY (24) C 7 0.00000 7.88083 526. RY (25) C 7 0.00000 6.05060 527. RY (26) C 7 0.00000 6.69641 528. RY (27) C 7 0.00000 7.52688 529. RY (28) C 7 0.00000 6.95832 530. RY (29) C 7 0.00000 7.03148 531. RY (30) C 7 0.00000 7.33683 532. RY (31) C 7 0.00000 6.33858 533. RY (32) C 7 0.00000 5.42844 534. RY (33) C 7 0.00000 4.60997 535. RY (34) C 7 0.00000 5.49662 536. RY (35) C 7 0.00000 4.64559 537. RY (36) C 7 0.00000 5.06063 538. RY (37) C 7 0.00000 4.64119 539. RY (38) C 7 0.00000 5.24545 540. RY (39) C 7 0.00000 3.53255 541. RY (40) C 7 0.00000 3.02089 542. RY (41) C 7 0.00000 2.95538 543. RY (42) C 7 0.00000 116.68886 544. RY (43) C 7 0.00000 7.67775 545. RY (44) C 7 0.00000 7.24873 546. RY (45) C 7 0.00000 14.62646 547. RY (46) C 7 0.00000 7.05994 548. RY (47) C 7 0.00000 7.75262 549. RY (48) C 7 0.00000 7.05346 550. RY (49) C 7 0.00000 8.05080 551. RY (50) C 7 0.00000 7.46166 552. RY (51) C 7 0.00000 8.35982 553. RY (52) C 7 0.00000 6.81456 554. RY ( 1) C 8 0.00133 2.39341 555. RY ( 2) C 8 0.00055 1.97297 556. RY ( 3) C 8 0.00029 1.22862 557. RY ( 4) C 8 0.00023 1.46411 558. RY ( 5) C 8 0.00013 1.63612 559. RY ( 6) C 8 0.00011 1.42255 560. RY ( 7) C 8 0.00006 1.63089 561. RY ( 8) C 8 0.00004 1.46763 562. RY ( 9) C 8 0.00002 2.25862 563. RY (10) C 8 0.00002 2.19352 564. RY (11) C 8 0.00002 2.25663 565. RY (12) C 8 0.00001 2.68466 566. RY (13) C 8 0.00001 2.99333 567. RY (14) C 8 0.00000 3.52641 568. RY (15) C 8 0.00000 6.69587 569. RY (16) C 8 0.00000 3.27756 570. RY (17) C 8 0.00000 7.53437 571. RY (18) C 8 0.00000 6.92919 572. RY (19) C 8 0.00000 7.45834 573. RY (20) C 8 0.00000 7.60036 574. RY (21) C 8 0.00000 8.36001 575. RY (22) C 8 0.00000 8.44284 576. RY (23) C 8 0.00000 6.88299 577. RY (24) C 8 0.00000 6.98758 578. RY (25) C 8 0.00000 6.38037 579. RY (26) C 8 0.00000 6.90985 580. RY (27) C 8 0.00000 6.25326 581. RY (28) C 8 0.00000 6.34113 582. RY (29) C 8 0.00000 6.40014 583. RY (30) C 8 0.00000 6.81460 584. RY (31) C 8 0.00000 5.78904 585. RY (32) C 8 0.00000 4.99828 586. RY (33) C 8 0.00000 5.37575 587. RY (34) C 8 0.00000 4.94033 588. RY (35) C 8 0.00000 6.08144 589. RY (36) C 8 0.00000 5.57285 590. RY (37) C 8 0.00000 3.60911 591. RY (38) C 8 0.00000 4.04852 592. RY (39) C 8 0.00000 4.05110 593. RY (40) C 8 0.00000 2.64267 594. RY (41) C 8 0.00000 2.87532 595. RY (42) C 8 0.00000 104.44641 596. RY (43) C 8 0.00000 11.91732 597. RY (44) C 8 0.00000 7.71230 598. RY (45) C 8 0.00000 14.70157 599. RY (46) C 8 0.00000 10.27320 600. RY (47) C 8 0.00000 10.43091 601. RY (48) C 8 0.00000 7.27799 602. RY (49) C 8 0.00000 9.15792 603. RY (50) C 8 0.00000 7.85918 604. RY (51) C 8 0.00000 7.98487 605. RY (52) C 8 0.00000 7.38874 606. RY ( 1) C 9 0.00106 2.76821 607. RY ( 2) C 9 0.00054 1.91833 608. RY ( 3) C 9 0.00027 1.28813 609. RY ( 4) C 9 0.00018 1.22716 610. RY ( 5) C 9 0.00016 1.56228 611. RY ( 6) C 9 0.00011 1.68565 612. RY ( 7) C 9 0.00006 1.65204 613. RY ( 8) C 9 0.00004 1.07593 614. RY ( 9) C 9 0.00002 2.02847 615. RY (10) C 9 0.00002 2.85104 616. RY (11) C 9 0.00001 3.13825 617. RY (12) C 9 0.00001 2.31833 618. RY (13) C 9 0.00000 3.26660 619. RY (14) C 9 0.00001 2.75831 620. RY (15) C 9 0.00000 4.04917 621. RY (16) C 9 0.00000 5.62249 622. RY (17) C 9 0.00000 6.95850 623. RY (18) C 9 0.00000 7.17340 624. RY (19) C 9 0.00000 7.54378 625. RY (20) C 9 0.00000 6.98990 626. RY (21) C 9 0.00000 8.42802 627. RY (22) C 9 0.00000 6.80694 628. RY (23) C 9 0.00000 6.67972 629. RY (24) C 9 0.00000 6.51356 630. RY (25) C 9 0.00000 6.63175 631. RY (26) C 9 0.00000 6.99070 632. RY (27) C 9 0.00000 8.02987 633. RY (28) C 9 0.00000 7.42459 634. RY (29) C 9 0.00000 6.93759 635. RY (30) C 9 0.00000 5.51540 636. RY (31) C 9 0.00000 6.98958 637. RY (32) C 9 0.00000 5.79577 638. RY (33) C 9 0.00000 5.33238 639. RY (34) C 9 0.00000 4.00331 640. RY (35) C 9 0.00000 6.22413 641. RY (36) C 9 0.00000 3.90822 642. RY (37) C 9 0.00000 6.25505 643. RY (38) C 9 0.00000 4.54718 644. RY (39) C 9 0.00000 3.25594 645. RY (40) C 9 0.00000 3.43557 646. RY (41) C 9 0.00000 3.16421 647. RY (42) C 9 0.00000 3.30711 648. RY (43) C 9 0.00000 63.84134 649. RY (44) C 9 0.00000 50.69159 650. RY (45) C 9 0.00000 8.85403 651. RY (46) C 9 0.00000 13.14463 652. RY (47) C 9 0.00000 8.68615 653. RY (48) C 9 0.00000 7.56286 654. RY (49) C 9 0.00000 12.03222 655. RY (50) C 9 0.00000 12.55182 656. RY (51) C 9 0.00000 8.19346 657. RY (52) C 9 0.00000 7.06621 658. RY ( 1) P 10 0.00564 1.59888 659. RY ( 2) P 10 0.00502 1.41476 660. RY ( 3) P 10 0.00284 1.35147 661. RY ( 4) P 10 0.00271 1.31816 662. RY ( 5) P 10 0.00259 1.89347 663. RY ( 6) P 10 0.00165 1.33581 664. RY ( 7) P 10 0.00131 1.23980 665. RY ( 8) P 10 0.00080 2.34609 666. RY ( 9) P 10 0.00044 2.14383 667. RY (10) P 10 0.00035 2.43055 668. RY (11) P 10 0.00021 2.87122 669. RY (12) P 10 0.00017 2.86229 670. RY (13) P 10 0.00011 2.75640 671. RY (14) P 10 0.00010 3.39442 672. RY (15) P 10 0.00008 2.75128 673. RY (16) P 10 0.00007 2.76987 674. RY (17) P 10 0.00006 3.03919 675. RY (18) P 10 0.00004 2.35882 676. RY (19) P 10 0.00003 4.58519 677. RY (20) P 10 0.00002 4.50000 678. RY (21) P 10 0.00001 3.65458 679. RY (22) P 10 0.00001 4.18141 680. RY (23) P 10 0.00001 4.20252 681. RY (24) P 10 0.00000 3.54288 682. RY (25) P 10 0.00000 4.93980 683. RY (26) P 10 0.00000 4.04546 684. RY (27) P 10 0.00000 5.23901 685. RY (28) P 10 0.00000 4.97328 686. RY (29) P 10 0.00000 6.03081 687. RY (30) P 10 0.00000 5.54365 688. RY (31) P 10 0.00000 4.22365 689. RY (32) P 10 0.00000 4.93936 690. RY (33) P 10 0.00000 4.49047 691. RY (34) P 10 0.00000 4.79713 692. RY (35) P 10 0.00000 4.79212 693. RY (36) P 10 0.00000 4.54682 694. RY (37) P 10 0.00000 4.41503 695. RY (38) P 10 0.00000 4.14057 696. RY (39) P 10 0.00000 4.06075 697. RY (40) P 10 0.00000 3.94200 698. RY (41) P 10 0.00000 140.56526 699. RY (42) P 10 0.00000 230.31720 700. RY (43) P 10 0.00000 60.94366 701. RY (44) P 10 0.00000 10.48994 702. RY (45) P 10 0.00000 8.32598 703. RY (46) P 10 0.00000 13.64365 704. RY (47) P 10 0.00000 7.03863 705. RY (48) P 10 0.00000 6.57505 706. RY (49) P 10 0.00000 7.17309 707. RY (50) P 10 0.00000 8.55518 708. RY (51) P 10 0.00000 7.81139 709. RY (52) P 10 0.00000 6.54408 710. RY (53) P 10 0.00000 5.48558 711. RY (54) P 10 0.00000 7.15353 712. RY (55) P 10 0.00000 6.78209 713. RY (56) P 10 0.00000 7.17084 714. RY (57) P 10 0.00000 6.25921 715. RY (58) P 10 0.00000 5.58135 716. RY (59) P 10 0.00000 4.66164 717. RY (60) P 10 0.00000 5.07033 718. RY (61) P 10 0.00000 5.14683 719. RY ( 1) C 11 0.00291 2.11419 720. RY ( 2) C 11 0.00212 1.41800 721. RY ( 3) C 11 0.00179 2.12992 722. RY ( 4) C 11 0.00054 1.38482 723. RY ( 5) C 11 0.00031 2.60109 724. RY ( 6) C 11 0.00027 3.51434 725. RY ( 7) C 11 0.00023 4.06845 726. RY ( 8) C 11 0.00016 2.54225 727. RY ( 9) C 11 0.00007 2.50862 728. RY (10) C 11 0.00006 2.58519 729. RY (11) C 11 0.00006 2.59881 730. RY (12) C 11 0.00003 3.70002 731. RY (13) C 11 0.00002 3.84519 732. RY (14) C 11 0.00002 4.13669 733. RY (15) C 11 0.00001 2.54372 734. RY (16) C 11 0.00001 4.17174 735. RY (17) C 11 0.00001 4.69283 736. RY (18) C 11 0.00001 4.84835 737. RY (19) C 11 0.00000 4.61684 738. RY (20) C 11 0.00000 4.36006 739. RY (21) C 11 0.00000 5.01015 740. RY (22) C 11 0.00000 5.78398 741. RY (23) C 11 0.00000 6.09104 742. RY (24) C 11 0.00000 6.96611 743. RY (25) C 11 0.00000 8.73911 744. RY (26) C 11 0.00000 6.62714 745. RY (27) C 11 0.00000 4.25876 746. RY (28) C 11 0.00000 5.10325 747. RY (29) C 11 0.00000 5.34299 748. RY (30) C 11 0.00000 5.17150 749. RY (31) C 11 0.00000 6.44788 750. RY (32) C 11 0.00000 4.33343 751. RY (33) C 11 0.00000 4.61531 752. RY (34) C 11 0.00000 5.09670 753. RY (35) C 11 0.00000 4.86229 754. RY (36) C 11 0.00000 109.66058 755. RY (37) C 11 0.00000 8.00424 756. RY (38) C 11 0.00000 7.83952 757. RY (39) C 11 0.00000 17.21641 758. RY (40) C 11 0.00000 7.84634 759. RY (41) C 11 0.00000 7.27203 760. RY (42) C 11 0.00000 7.28370 761. RY (43) C 11 0.00000 14.28982 762. RY (44) C 11 0.00000 7.31100 763. RY (45) C 11 0.00000 7.46998 764. RY (46) C 11 0.00000 7.78977 765. RY (47) C 11 0.00000 7.86695 766. RY (48) C 11 0.00000 6.44784 767. RY (49) C 11 0.00000 6.40365 768. RY (50) C 11 0.00000 6.48728 769. RY (51) C 11 0.00000 6.11716 770. RY (52) C 11 0.00000 6.14758 771. RY ( 1) C 12 0.00219 1.47299 772. RY ( 2) C 12 0.00191 1.52381 773. RY ( 3) C 12 0.00158 2.59881 774. RY ( 4) C 12 0.00047 2.57640 775. RY ( 5) C 12 0.00043 2.19972 776. RY ( 6) C 12 0.00026 3.70045 777. RY ( 7) C 12 0.00023 3.74535 778. RY ( 8) C 12 0.00014 2.80718 779. RY ( 9) C 12 0.00009 2.71124 780. RY (10) C 12 0.00007 2.19882 781. RY (11) C 12 0.00005 2.97355 782. RY (12) C 12 0.00003 3.93762 783. RY (13) C 12 0.00003 4.26873 784. RY (14) C 12 0.00002 3.31585 785. RY (15) C 12 0.00001 4.43675 786. RY (16) C 12 0.00001 3.53406 787. RY (17) C 12 0.00001 3.05566 788. RY (18) C 12 0.00001 5.43317 789. RY (19) C 12 0.00000 4.36415 790. RY (20) C 12 0.00000 7.42634 791. RY (21) C 12 0.00000 6.10244 792. RY (22) C 12 0.00000 5.86453 793. RY (23) C 12 0.00000 7.13879 794. RY (24) C 12 0.00000 6.06029 795. RY (25) C 12 0.00000 5.18061 796. RY (26) C 12 0.00000 6.73997 797. RY (27) C 12 0.00000 5.15088 798. RY (28) C 12 0.00000 4.54511 799. RY (29) C 12 0.00000 5.59713 800. RY (30) C 12 0.00000 5.47967 801. RY (31) C 12 0.00000 4.78776 802. RY (32) C 12 0.00000 5.24717 803. RY (33) C 12 0.00000 5.29690 804. RY (34) C 12 0.00000 4.91975 805. RY (35) C 12 0.00000 4.60420 806. RY (36) C 12 0.00000 5.33624 807. RY (37) C 12 0.00000 92.66124 808. RY (38) C 12 0.00000 11.23002 809. RY (39) C 12 0.00000 6.52810 810. RY (40) C 12 0.00000 19.79636 811. RY (41) C 12 0.00000 7.61494 812. RY (42) C 12 0.00000 7.29565 813. RY (43) C 12 0.00000 9.66863 814. RY (44) C 12 0.00000 7.62390 815. RY (45) C 12 0.00000 9.05432 816. RY (46) C 12 0.00000 10.27123 817. RY (47) C 12 0.00000 15.57291 818. RY (48) C 12 0.00000 7.83529 819. RY (49) C 12 0.00000 9.56286 820. RY (50) C 12 0.00000 6.93400 821. RY (51) C 12 0.00000 5.94294 822. RY (52) C 12 0.00000 6.63162 823. RY ( 1) C 13 0.00274 1.51312 824. RY ( 2) C 13 0.00172 1.57221 825. RY ( 3) C 13 0.00144 2.30326 826. RY ( 4) C 13 0.00050 1.65231 827. RY ( 5) C 13 0.00045 2.79749 828. RY ( 6) C 13 0.00028 3.19334 829. RY ( 7) C 13 0.00021 4.68185 830. RY ( 8) C 13 0.00010 2.99263 831. RY ( 9) C 13 0.00005 2.66848 832. RY (10) C 13 0.00004 2.79143 833. RY (11) C 13 0.00003 3.26577 834. RY (12) C 13 0.00002 3.43819 835. RY (13) C 13 0.00002 3.80796 836. RY (14) C 13 0.00001 3.46121 837. RY (15) C 13 0.00001 3.81265 838. RY (16) C 13 0.00001 3.46117 839. RY (17) C 13 0.00001 3.28066 840. RY (18) C 13 0.00001 3.32764 841. RY (19) C 13 0.00000 3.56460 842. RY (20) C 13 0.00000 6.15356 843. RY (21) C 13 0.00000 6.62063 844. RY (22) C 13 0.00000 10.18834 845. RY (23) C 13 0.00000 6.48567 846. RY (24) C 13 0.00000 6.09717 847. RY (25) C 13 0.00000 7.31402 848. RY (26) C 13 0.00000 6.28435 849. RY (27) C 13 0.00000 4.05389 850. RY (28) C 13 0.00000 6.28143 851. RY (29) C 13 0.00000 6.55228 852. RY (30) C 13 0.00000 6.31569 853. RY (31) C 13 0.00000 4.92230 854. RY (32) C 13 0.00000 5.37685 855. RY (33) C 13 0.00000 4.72771 856. RY (34) C 13 0.00000 5.79933 857. RY (35) C 13 0.00000 4.85075 858. RY (36) C 13 0.00000 4.61196 859. RY (37) C 13 0.00000 5.22031 860. RY (38) C 13 0.00000 118.52510 861. RY (39) C 13 0.00000 6.49445 862. RY (40) C 13 0.00000 6.81932 863. RY (41) C 13 0.00000 7.24760 864. RY (42) C 13 0.00000 15.43801 865. RY (43) C 13 0.00000 7.50114 866. RY (44) C 13 0.00000 8.00916 867. RY (45) C 13 0.00000 6.45298 868. RY (46) C 13 0.00000 7.88312 869. RY (47) C 13 0.00000 7.09308 870. RY (48) C 13 0.00000 6.81305 871. RY (49) C 13 0.00000 6.64909 872. RY (50) C 13 0.00000 6.65601 873. RY (51) C 13 0.00000 7.08105 874. RY (52) C 13 0.00000 6.64542 875. RY ( 1) C 14 0.00312 1.57983 876. RY ( 2) C 14 0.00175 1.58086 877. RY ( 3) C 14 0.00149 2.26062 878. RY ( 4) C 14 0.00050 1.60009 879. RY ( 5) C 14 0.00044 2.87156 880. RY ( 6) C 14 0.00027 3.34588 881. RY ( 7) C 14 0.00020 4.52590 882. RY ( 8) C 14 0.00008 2.87470 883. RY ( 9) C 14 0.00006 2.73494 884. RY (10) C 14 0.00004 2.87870 885. RY (11) C 14 0.00003 3.02272 886. RY (12) C 14 0.00002 3.61131 887. RY (13) C 14 0.00002 3.63701 888. RY (14) C 14 0.00001 3.23031 889. RY (15) C 14 0.00001 3.88053 890. RY (16) C 14 0.00001 4.02565 891. RY (17) C 14 0.00001 4.02342 892. RY (18) C 14 0.00000 7.22069 893. RY (19) C 14 0.00000 6.65123 894. RY (20) C 14 0.00000 6.42182 895. RY (21) C 14 0.00000 5.36669 896. RY (22) C 14 0.00000 7.54069 897. RY (23) C 14 0.00000 6.30665 898. RY (24) C 14 0.00000 5.19235 899. RY (25) C 14 0.00000 5.43987 900. RY (26) C 14 0.00000 7.02762 901. RY (27) C 14 0.00000 5.32913 902. RY (28) C 14 0.00000 4.75367 903. RY (29) C 14 0.00000 5.14269 904. RY (30) C 14 0.00000 5.55648 905. RY (31) C 14 0.00000 4.96625 906. RY (32) C 14 0.00000 5.45682 907. RY (33) C 14 0.00000 5.49085 908. RY (34) C 14 0.00000 4.50646 909. RY (35) C 14 0.00001 3.79065 910. RY (36) C 14 0.00001 3.41347 911. RY (37) C 14 0.00000 110.44125 912. RY (38) C 14 0.00000 10.86846 913. RY (39) C 14 0.00000 9.15267 914. RY (40) C 14 0.00000 6.78545 915. RY (41) C 14 0.00000 6.83192 916. RY (42) C 14 0.00000 10.22751 917. RY (43) C 14 0.00000 7.04330 918. RY (44) C 14 0.00000 12.72842 919. RY (45) C 14 0.00000 6.59714 920. RY (46) C 14 0.00000 6.67969 921. RY (47) C 14 0.00000 10.05826 922. RY (48) C 14 0.00000 8.36408 923. RY (49) C 14 0.00000 6.79826 924. RY (50) C 14 0.00000 7.24094 925. RY (51) C 14 0.00000 6.95849 926. RY (52) C 14 0.00000 7.56069 927. RY ( 1) C 15 0.00237 1.54861 928. RY ( 2) C 15 0.00190 1.51567 929. RY ( 3) C 15 0.00160 2.60553 930. RY ( 4) C 15 0.00047 2.76017 931. RY ( 5) C 15 0.00043 2.02795 932. RY ( 6) C 15 0.00025 4.76169 933. RY ( 7) C 15 0.00024 2.72609 934. RY ( 8) C 15 0.00014 2.97909 935. RY ( 9) C 15 0.00009 2.48486 936. RY (10) C 15 0.00007 2.18932 937. RY (11) C 15 0.00005 3.05887 938. RY (12) C 15 0.00003 4.19660 939. RY (13) C 15 0.00003 4.15865 940. RY (14) C 15 0.00002 3.41366 941. RY (15) C 15 0.00001 4.57280 942. RY (16) C 15 0.00001 3.29990 943. RY (17) C 15 0.00001 4.43158 944. RY (18) C 15 0.00001 3.94842 945. RY (19) C 15 0.00000 4.02579 946. RY (20) C 15 0.00000 6.31261 947. RY (21) C 15 0.00000 6.55512 948. RY (22) C 15 0.00000 7.20919 949. RY (23) C 15 0.00000 5.61871 950. RY (24) C 15 0.00000 7.00220 951. RY (25) C 15 0.00000 5.85169 952. RY (26) C 15 0.00000 5.33405 953. RY (27) C 15 0.00000 5.79738 954. RY (28) C 15 0.00000 5.51827 955. RY (29) C 15 0.00000 5.89492 956. RY (30) C 15 0.00000 5.07555 957. RY (31) C 15 0.00000 5.22498 958. RY (32) C 15 0.00000 4.20618 959. RY (33) C 15 0.00000 4.73097 960. RY (34) C 15 0.00000 5.23291 961. RY (35) C 15 0.00000 3.60041 962. RY (36) C 15 0.00000 6.23507 963. RY (37) C 15 0.00000 27.77693 964. RY (38) C 15 0.00000 25.55062 965. RY (39) C 15 0.00000 67.08249 966. RY (40) C 15 0.00000 13.41651 967. RY (41) C 15 0.00000 6.95792 968. RY (42) C 15 0.00000 11.66974 969. RY (43) C 15 0.00000 7.61177 970. RY (44) C 15 0.00000 9.97017 971. RY (45) C 15 0.00000 6.63635 972. RY (46) C 15 0.00000 11.58786 973. RY (47) C 15 0.00000 7.84210 974. RY (48) C 15 0.00000 10.96293 975. RY (49) C 15 0.00000 6.83312 976. RY (50) C 15 0.00000 6.29875 977. RY (51) C 15 0.00000 7.81514 978. RY (52) C 15 0.00000 6.62563 979. RY ( 1) H 16 0.00041 1.32712 980. RY ( 2) H 16 0.00034 2.79207 981. RY ( 3) H 16 0.00020 3.02266 982. RY ( 4) H 16 0.00010 1.56921 983. RY ( 5) H 16 0.00003 2.65443 984. RY ( 6) H 16 0.00001 4.13157 985. RY ( 7) H 16 0.00000 4.56182 986. RY ( 8) H 16 0.00000 3.31656 987. RY ( 9) H 16 0.00000 4.64653 988. RY (10) H 16 0.00000 7.64697 989. RY (11) H 16 0.00000 7.41423 990. RY (12) H 16 0.00000 7.90963 991. RY (13) H 16 0.00000 8.12628 992. RY (14) H 16 0.00000 6.25150 993. RY (15) H 16 0.00000 7.78879 994. RY (16) H 16 0.00000 7.49497 995. RY (17) H 16 0.00000 7.00321 996. RY (18) H 16 0.00000 6.66653 997. RY (19) H 16 0.00000 6.77830 998. RY (20) H 16 0.00000 5.68638 999. RY (21) H 16 0.00000 5.00499 1000. RY (22) H 16 0.00000 7.02972 1001. RY (23) H 16 0.00000 5.87929 1002. RY (24) H 16 0.00000 6.79382 1003. RY (25) H 16 0.00000 9.15071 1004. RY (26) H 16 0.00000 9.01434 1005. RY (27) H 16 0.00000 8.55652 1006. RY (28) H 16 0.00000 8.00284 1007. RY (29) H 16 0.00000 7.78041 1008. RY ( 1) H 17 0.00033 2.84576 1009. RY ( 2) H 17 0.00023 3.16721 1010. RY ( 3) H 17 0.00017 1.99290 1011. RY ( 4) H 17 0.00007 1.28518 1012. RY ( 5) H 17 0.00004 2.72537 1013. RY ( 6) H 17 0.00001 4.25595 1014. RY ( 7) H 17 0.00001 3.67322 1015. RY ( 8) H 17 0.00001 5.16092 1016. RY ( 9) H 17 0.00000 8.05012 1017. RY (10) H 17 0.00000 7.24213 1018. RY (11) H 17 0.00000 6.80388 1019. RY (12) H 17 0.00000 6.59370 1020. RY (13) H 17 0.00000 7.40342 1021. RY (14) H 17 0.00000 6.03527 1022. RY (15) H 17 0.00000 6.10201 1023. RY (16) H 17 0.00000 6.41355 1024. RY (17) H 17 0.00000 6.19006 1025. RY (18) H 17 0.00000 6.67999 1026. RY (19) H 17 0.00000 6.07470 1027. RY (20) H 17 0.00000 6.77269 1028. RY (21) H 17 0.00000 5.41910 1029. RY (22) H 17 0.00000 6.19267 1030. RY (23) H 17 0.00000 5.38366 1031. RY (24) H 17 0.00000 9.88791 1032. RY (25) H 17 0.00000 8.51186 1033. RY (26) H 17 0.00000 8.30669 1034. RY (27) H 17 0.00000 8.82038 1035. RY (28) H 17 0.00000 7.52470 1036. RY (29) H 17 0.00000 8.95071 1037. RY ( 1) H 18 0.00034 2.70983 1038. RY ( 2) H 18 0.00027 1.68032 1039. RY ( 3) H 18 0.00020 3.36017 1040. RY ( 4) H 18 0.00007 1.72805 1041. RY ( 5) H 18 0.00003 2.49751 1042. RY ( 6) H 18 0.00001 4.06163 1043. RY ( 7) H 18 0.00001 4.76230 1044. RY ( 8) H 18 0.00001 4.86634 1045. RY ( 9) H 18 0.00000 5.34278 1046. RY (10) H 18 0.00000 7.65949 1047. RY (11) H 18 0.00000 7.40394 1048. RY (12) H 18 0.00000 7.43931 1049. RY (13) H 18 0.00000 8.16912 1050. RY (14) H 18 0.00000 6.97659 1051. RY (15) H 18 0.00000 6.65265 1052. RY (16) H 18 0.00000 6.54655 1053. RY (17) H 18 0.00000 6.81576 1054. RY (18) H 18 0.00000 5.89004 1055. RY (19) H 18 0.00000 4.32813 1056. RY (20) H 18 0.00000 6.12593 1057. RY (21) H 18 0.00000 8.54044 1058. RY (22) H 18 0.00000 5.95915 1059. RY (23) H 18 0.00000 4.24102 1060. RY (24) H 18 0.00000 9.84683 1061. RY (25) H 18 0.00000 8.38121 1062. RY (26) H 18 0.00000 9.14317 1063. RY (27) H 18 0.00000 7.45445 1064. RY (28) H 18 0.00000 7.46766 1065. RY (29) H 18 0.00000 8.44763 1066. RY ( 1) H 19 0.00040 1.16458 1067. RY ( 2) H 19 0.00034 2.84070 1068. RY ( 3) H 19 0.00019 3.18357 1069. RY ( 4) H 19 0.00010 1.66318 1070. RY ( 5) H 19 0.00004 2.64247 1071. RY ( 6) H 19 0.00001 4.41642 1072. RY ( 7) H 19 0.00000 3.36988 1073. RY ( 8) H 19 0.00000 3.97584 1074. RY ( 9) H 19 0.00000 5.18636 1075. RY (10) H 19 0.00000 7.20365 1076. RY (11) H 19 0.00000 7.49351 1077. RY (12) H 19 0.00000 7.95080 1078. RY (13) H 19 0.00000 8.05313 1079. RY (14) H 19 0.00000 7.42484 1080. RY (15) H 19 0.00000 6.90785 1081. RY (16) H 19 0.00000 7.26917 1082. RY (17) H 19 0.00000 6.84632 1083. RY (18) H 19 0.00000 6.06159 1084. RY (19) H 19 0.00000 7.01737 1085. RY (20) H 19 0.00000 4.82604 1086. RY (21) H 19 0.00000 5.83268 1087. RY (22) H 19 0.00000 7.58351 1088. RY (23) H 19 0.00000 5.62724 1089. RY (24) H 19 0.00000 6.83200 1090. RY (25) H 19 0.00000 8.89977 1091. RY (26) H 19 0.00000 8.90440 1092. RY (27) H 19 0.00000 8.60773 1093. RY (28) H 19 0.00000 8.30141 1094. RY (29) H 19 0.00000 8.16431 1095. RY ( 1) H 20 0.00037 2.61168 1096. RY ( 2) H 20 0.00025 2.97960 1097. RY ( 3) H 20 0.00017 2.10050 1098. RY ( 4) H 20 0.00012 1.25125 1099. RY ( 5) H 20 0.00004 2.77059 1100. RY ( 6) H 20 0.00002 4.08378 1101. RY ( 7) H 20 0.00001 3.65496 1102. RY ( 8) H 20 0.00000 4.57953 1103. RY ( 9) H 20 0.00000 7.08463 1104. RY (10) H 20 0.00000 7.03402 1105. RY (11) H 20 0.00000 8.13580 1106. RY (12) H 20 0.00000 6.71045 1107. RY (13) H 20 0.00000 5.78758 1108. RY (14) H 20 0.00000 6.35750 1109. RY (15) H 20 0.00000 5.83518 1110. RY (16) H 20 0.00000 7.01831 1111. RY (17) H 20 0.00000 6.08825 1112. RY (18) H 20 0.00000 6.69908 1113. RY (19) H 20 0.00000 4.61436 1114. RY (20) H 20 0.00000 7.71315 1115. RY (21) H 20 0.00000 6.53027 1116. RY (22) H 20 0.00000 5.67127 1117. RY (23) H 20 0.00000 8.88425 1118. RY (24) H 20 0.00000 9.03178 1119. RY (25) H 20 0.00000 9.49310 1120. RY (26) H 20 0.00000 7.80417 1121. RY (27) H 20 0.00000 7.94426 1122. RY (28) H 20 0.00000 8.38541 1123. RY (29) H 20 0.00000 7.72846 1124. RY ( 1) H 21 0.00034 2.69411 1125. RY ( 2) H 21 0.00019 2.85729 1126. RY ( 3) H 21 0.00017 2.82287 1127. RY ( 4) H 21 0.00007 1.33594 1128. RY ( 5) H 21 0.00002 2.38156 1129. RY ( 6) H 21 0.00001 3.46334 1130. RY ( 7) H 21 0.00001 4.01016 1131. RY ( 8) H 21 0.00000 5.75611 1132. RY ( 9) H 21 0.00000 4.47726 1133. RY (10) H 21 0.00000 8.24882 1134. RY (11) H 21 0.00000 8.31512 1135. RY (12) H 21 0.00000 6.75704 1136. RY (13) H 21 0.00000 7.80461 1137. RY (14) H 21 0.00000 6.83508 1138. RY (15) H 21 0.00000 6.22675 1139. RY (16) H 21 0.00000 6.22261 1140. RY (17) H 21 0.00000 6.13713 1141. RY (18) H 21 0.00000 7.34990 1142. RY (19) H 21 0.00000 4.39945 1143. RY (20) H 21 0.00000 9.08329 1144. RY (21) H 21 0.00000 5.15895 1145. RY (22) H 21 0.00000 6.82118 1146. RY (23) H 21 0.00000 5.25087 1147. RY (24) H 21 0.00000 9.05250 1148. RY (25) H 21 0.00000 8.63559 1149. RY (26) H 21 0.00000 9.50168 1150. RY (27) H 21 0.00000 7.28473 1151. RY (28) H 21 0.00000 8.20553 1152. RY (29) H 21 0.00000 7.38424 1153. RY ( 1) H 22 0.00042 1.45905 1154. RY ( 2) H 22 0.00034 2.69636 1155. RY ( 3) H 22 0.00020 2.90489 1156. RY ( 4) H 22 0.00009 1.41743 1157. RY ( 5) H 22 0.00003 2.72633 1158. RY ( 6) H 22 0.00001 4.10467 1159. RY ( 7) H 22 0.00000 5.55082 1160. RY ( 8) H 22 0.00000 3.84026 1161. RY ( 9) H 22 0.00000 3.81536 1162. RY (10) H 22 0.00000 8.43979 1163. RY (11) H 22 0.00000 7.43899 1164. RY (12) H 22 0.00000 8.06103 1165. RY (13) H 22 0.00000 8.28937 1166. RY (14) H 22 0.00000 6.76847 1167. RY (15) H 22 0.00000 5.96641 1168. RY (16) H 22 0.00000 7.35306 1169. RY (17) H 22 0.00000 6.66954 1170. RY (18) H 22 0.00000 7.20325 1171. RY (19) H 22 0.00000 7.02719 1172. RY (20) H 22 0.00000 4.93289 1173. RY (21) H 22 0.00000 6.70742 1174. RY (22) H 22 0.00000 6.12542 1175. RY (23) H 22 0.00000 5.67139 1176. RY (24) H 22 0.00000 6.79497 1177. RY (25) H 22 0.00000 9.71953 1178. RY (26) H 22 0.00000 8.75268 1179. RY (27) H 22 0.00000 7.99412 1180. RY (28) H 22 0.00000 8.67494 1181. RY (29) H 22 0.00000 7.50045 1182. RY ( 1) H 23 0.00034 2.76168 1183. RY ( 2) H 23 0.00023 3.04538 1184. RY ( 3) H 23 0.00016 2.09460 1185. RY ( 4) H 23 0.00007 1.54840 1186. RY ( 5) H 23 0.00004 2.32025 1187. RY ( 6) H 23 0.00001 4.02553 1188. RY ( 7) H 23 0.00001 4.14246 1189. RY ( 8) H 23 0.00000 4.79855 1190. RY ( 9) H 23 0.00000 7.86894 1191. RY (10) H 23 0.00000 7.15016 1192. RY (11) H 23 0.00000 8.45005 1193. RY (12) H 23 0.00000 6.92120 1194. RY (13) H 23 0.00000 6.91625 1195. RY (14) H 23 0.00000 5.84026 1196. RY (15) H 23 0.00000 6.40321 1197. RY (16) H 23 0.00000 5.57060 1198. RY (17) H 23 0.00000 6.52358 1199. RY (18) H 23 0.00000 6.82400 1200. RY (19) H 23 0.00000 5.73862 1201. RY (20) H 23 0.00000 5.38383 1202. RY (21) H 23 0.00000 7.34628 1203. RY (22) H 23 0.00000 6.82840 1204. RY (23) H 23 0.00000 5.07679 1205. RY (24) H 23 0.00000 9.66112 1206. RY (25) H 23 0.00000 8.19387 1207. RY (26) H 23 0.00000 8.72053 1208. RY (27) H 23 0.00000 8.21778 1209. RY (28) H 23 0.00000 8.49014 1210. RY (29) H 23 0.00000 8.23925 1211. RY ( 1) H 24 0.00032 2.85667 1212. RY ( 2) H 24 0.00020 2.96030 1213. RY ( 3) H 24 0.00016 2.65178 1214. RY ( 4) H 24 0.00007 1.10248 1215. RY ( 5) H 24 0.00003 2.42387 1216. RY ( 6) H 24 0.00001 3.91457 1217. RY ( 7) H 24 0.00001 4.11620 1218. RY ( 8) H 24 0.00001 4.46459 1219. RY ( 9) H 24 0.00000 5.39003 1220. RY (10) H 24 0.00000 7.59472 1221. RY (11) H 24 0.00000 8.04697 1222. RY (12) H 24 0.00000 7.78119 1223. RY (13) H 24 0.00000 7.49976 1224. RY (14) H 24 0.00000 6.27043 1225. RY (15) H 24 0.00000 6.79793 1226. RY (16) H 24 0.00000 6.49789 1227. RY (17) H 24 0.00000 6.41035 1228. RY (18) H 24 0.00000 8.44746 1229. RY (19) H 24 0.00000 4.39369 1230. RY (20) H 24 0.00000 5.68983 1231. RY (21) H 24 0.00000 5.54045 1232. RY (22) H 24 0.00000 5.56633 1233. RY (23) H 24 0.00000 9.53331 1234. RY (24) H 24 0.00000 9.26349 1235. RY (25) H 24 0.00000 9.30365 1236. RY (26) H 24 0.00000 7.65006 1237. RY (27) H 24 0.00000 7.41906 1238. RY (28) H 24 0.00000 7.14796 1239. RY (29) H 24 0.00000 8.20212 1240. RY ( 1) H 25 0.00041 1.57762 1241. RY ( 2) H 25 0.00023 2.84856 1242. RY ( 3) H 25 0.00021 2.52518 1243. RY ( 4) H 25 0.00016 1.71804 1244. RY ( 5) H 25 0.00009 3.24313 1245. RY ( 6) H 25 0.00003 3.57419 1246. RY ( 7) H 25 0.00002 6.84877 1247. RY ( 8) H 25 0.00000 3.43065 1248. RY ( 9) H 25 0.00000 4.49916 1249. RY (10) H 25 0.00000 6.15103 1250. RY (11) H 25 0.00001 4.67354 1251. RY (12) H 25 0.00000 6.93305 1252. RY (13) H 25 0.00000 7.61552 1253. RY (14) H 25 0.00000 7.81881 1254. RY (15) H 25 0.00000 7.34137 1255. RY (16) H 25 0.00000 7.18264 1256. RY (17) H 25 0.00000 7.00462 1257. RY (18) H 25 0.00000 7.79664 1258. RY (19) H 25 0.00000 6.68230 1259. RY (20) H 25 0.00000 6.36570 1260. RY (21) H 25 0.00000 9.30708 1261. RY (22) H 25 0.00000 5.60549 1262. RY (23) H 25 0.00000 9.09293 1263. RY (24) H 25 0.00000 8.83767 1264. RY (25) H 25 0.00000 9.52335 1265. RY (26) H 25 0.00000 7.70200 1266. RY (27) H 25 0.00000 9.07857 1267. RY (28) H 25 0.00000 7.30450 1268. RY (29) H 25 0.00000 7.96119 1269. RY ( 1) H 26 0.00037 1.39593 1270. RY ( 2) H 26 0.00027 2.89763 1271. RY ( 3) H 26 0.00021 2.77650 1272. RY ( 4) H 26 0.00011 3.03247 1273. RY ( 5) H 26 0.00006 2.20856 1274. RY ( 6) H 26 0.00002 6.85448 1275. RY ( 7) H 26 0.00001 4.08750 1276. RY ( 8) H 26 0.00000 5.35182 1277. RY ( 9) H 26 0.00000 3.39946 1278. RY (10) H 26 0.00001 4.65512 1279. RY (11) H 26 0.00001 5.76191 1280. RY (12) H 26 0.00000 7.55123 1281. RY (13) H 26 0.00000 7.62415 1282. RY (14) H 26 0.00000 7.28596 1283. RY (15) H 26 0.00000 7.06305 1284. RY (16) H 26 0.00000 7.09721 1285. RY (17) H 26 0.00000 7.04071 1286. RY (18) H 26 0.00000 6.47899 1287. RY (19) H 26 0.00000 9.80570 1288. RY (20) H 26 0.00000 5.40342 1289. RY (21) H 26 0.00000 6.78810 1290. RY (22) H 26 0.00000 6.04847 1291. RY (23) H 26 0.00000 9.12825 1292. RY (24) H 26 0.00000 8.48560 1293. RY (25) H 26 0.00000 9.05433 1294. RY (26) H 26 0.00000 7.87561 1295. RY (27) H 26 0.00000 8.69410 1296. RY (28) H 26 0.00000 7.94368 1297. RY (29) H 26 0.00000 8.21786 1298. RY ( 1) H 27 0.00042 1.32172 1299. RY ( 2) H 27 0.00021 2.60622 1300. RY ( 3) H 27 0.00019 3.35137 1301. RY ( 4) H 27 0.00011 3.53100 1302. RY ( 5) H 27 0.00008 1.94869 1303. RY ( 6) H 27 0.00003 6.90076 1304. RY ( 7) H 27 0.00001 3.36560 1305. RY ( 8) H 27 0.00001 5.25789 1306. RY ( 9) H 27 0.00001 3.94735 1307. RY (10) H 27 0.00000 5.49808 1308. RY (11) H 27 0.00000 6.29134 1309. RY (12) H 27 0.00000 4.57849 1310. RY (13) H 27 0.00000 7.45515 1311. RY (14) H 27 0.00000 7.19383 1312. RY (15) H 27 0.00000 7.67192 1313. RY (16) H 27 0.00000 6.81962 1314. RY (17) H 27 0.00000 7.09789 1315. RY (18) H 27 0.00000 8.04826 1316. RY (19) H 27 0.00000 6.51891 1317. RY (20) H 27 0.00000 6.38888 1318. RY (21) H 27 0.00000 8.84290 1319. RY (22) H 27 0.00000 5.39757 1320. RY (23) H 27 0.00000 9.47487 1321. RY (24) H 27 0.00000 9.18779 1322. RY (25) H 27 0.00000 9.63546 1323. RY (26) H 27 0.00000 8.31528 1324. RY (27) H 27 0.00000 8.70183 1325. RY (28) H 27 0.00000 7.11568 1326. RY (29) H 27 0.00000 7.64439 1327. RY ( 1) H 28 0.00040 1.24162 1328. RY ( 2) H 28 0.00026 2.96092 1329. RY ( 3) H 28 0.00021 2.83964 1330. RY ( 4) H 28 0.00011 3.02699 1331. RY ( 5) H 28 0.00006 2.15111 1332. RY ( 6) H 28 0.00003 6.85505 1333. RY ( 7) H 28 0.00001 3.85538 1334. RY ( 8) H 28 0.00001 5.40280 1335. RY ( 9) H 28 0.00001 4.89900 1336. RY (10) H 28 0.00000 4.22650 1337. RY (11) H 28 0.00000 4.64330 1338. RY (12) H 28 0.00000 6.58706 1339. RY (13) H 28 0.00000 5.10528 1340. RY (14) H 28 0.00000 6.89760 1341. RY (15) H 28 0.00000 7.81784 1342. RY (16) H 28 0.00000 7.75865 1343. RY (17) H 28 0.00000 7.17773 1344. RY (18) H 28 0.00000 7.34792 1345. RY (19) H 28 0.00000 7.10138 1346. RY (20) H 28 0.00000 7.03250 1347. RY (21) H 28 0.00000 6.50121 1348. RY (22) H 28 0.00000 9.46241 1349. RY (23) H 28 0.00000 8.82733 1350. RY (24) H 28 0.00000 8.89676 1351. RY (25) H 28 0.00000 9.02860 1352. RY (26) H 28 0.00000 8.09881 1353. RY (27) H 28 0.00000 8.62399 1354. RY (28) H 28 0.00000 7.62513 1355. RY (29) H 28 0.00000 7.96208 1356. RY ( 1) H 29 0.00036 1.41981 1357. RY ( 2) H 29 0.00021 3.38657 1358. RY ( 3) H 29 0.00019 3.06654 1359. RY ( 4) H 29 0.00012 3.43026 1360. RY ( 5) H 29 0.00006 1.96436 1361. RY ( 6) H 29 0.00002 6.87219 1362. RY ( 7) H 29 0.00001 5.37693 1363. RY ( 8) H 29 0.00001 2.83024 1364. RY ( 9) H 29 0.00001 5.56878 1365. RY (10) H 29 0.00000 4.86016 1366. RY (11) H 29 0.00000 3.96800 1367. RY (12) H 29 0.00000 5.77328 1368. RY (13) H 29 0.00000 7.87410 1369. RY (14) H 29 0.00000 7.08348 1370. RY (15) H 29 0.00000 7.64034 1371. RY (16) H 29 0.00000 7.17927 1372. RY (17) H 29 0.00000 8.12107 1373. RY (18) H 29 0.00000 7.37702 1374. RY (19) H 29 0.00000 6.83159 1375. RY (20) H 29 0.00000 7.59803 1376. RY (21) H 29 0.00000 8.85479 1377. RY (22) H 29 0.00000 7.13985 1378. RY (23) H 29 0.00000 4.36771 1379. RY (24) H 29 0.00000 9.05233 1380. RY (25) H 29 0.00000 9.22099 1381. RY (26) H 29 0.00000 8.64819 1382. RY (27) H 29 0.00000 7.50553 1383. RY (28) H 29 0.00000 7.68158 1384. RY (29) H 29 0.00000 8.80852 ------------------------------- Total Lewis 57.92680 ( 96.7234%) Valence non-Lewis 1.84481 ( 3.0804%) Rydberg non-Lewis 0.11749 ( 0.1962%) ------------------------------- Total unit 1 59.88910 (100.0000%) Charge unit 1 0.11090 Molecular unit 2 (S5) ------ Lewis -------------------------------------- 5. CR ( 1) S 2 1.00000 -87.19372 6. CR ( 2) S 2 1.00000 -9.37629 7. CR ( 3) S 2 1.00000 -5.87683 8. CR ( 4) S 2 1.00000 -5.86874 9. CR ( 5) S 2 1.00000 -5.86772 10. CR ( 1) S 3 1.00000 -87.72951 11. CR ( 2) S 3 1.00000 -8.89642 12. CR ( 3) S 3 1.00000 -5.90112 13. CR ( 4) S 3 1.00000 -5.89509 14. CR ( 5) S 3 1.00000 -5.89859 15. CR ( 1) S 4 1.00000 -87.99390 16. CR ( 2) S 4 1.00000 -8.63143 17. CR ( 3) S 4 1.00000 -5.89369 18. CR ( 4) S 4 1.00000 -5.89681 19. CR ( 5) S 4 1.00000 -5.90373 20. CR ( 1) S 5 1.00000 -87.72005 21. CR ( 2) S 5 1.00000 -8.90640 22. CR ( 3) S 5 1.00000 -5.90163 23. CR ( 4) S 5 1.00000 -5.89410 24. CR ( 5) S 5 1.00000 -5.89988 25. CR ( 1) S 6 1.00000 -87.16519 26. CR ( 2) S 6 1.00000 -9.40688 27. CR ( 3) S 6 1.00000 -5.87783 28. CR ( 4) S 6 1.00000 -5.86993 29. CR ( 5) S 6 1.00000 -5.86863 45. LP ( 1) S 2 0.98943 -0.47088 87(r),115(r),117(r),260(v) 126(r),141(r),138(r),123(r) 119(r),93(r),665(r),719(r) 175(r),116(r),678(r),134(r) 165(r),674(r),195(r),98(r) 929(r),662(r),676(r),773(r) 88(r),875(r),169(r),127(r) 124(r),137(r),170(r),164(r) 118(r),168(r),675(r),142(r) 143(r) 46. LP ( 2) S 2 0.83523 -0.22427 115(r),117(r),90(v),87(r) 204(g),116(r),126(r),120(r) 258(v),138(r),201(g),132(r) 124(r),674(r),676(r),131(r) 445(r),448(r),192(r),662(r) 446(r),141(r),665(r),118(r) 129(r),675(r),130(r),139(r) 823(r),773(r),719(r),151(r) 123(r),678(r),127(r),146(r) 929(r),825(r),771(r),191(r) 119(r),781(r),671(r),658(r) 875(r),927(r),161(r),152(r) 169(r),728(r),669(r),98(r) 193(r),184(r),147(r),167(r) 826(r),137(r),195(r),667(r) 164(r),721(r),189(r),170(r) 97(r),134(r),163(r),144(r) 836(r),168(r),125(r) 1066(r),156(r),174(r) 177(r),668(r),828(r),171(r) 779(r),937(r),554(r),666(r) 772(r),730(r),774(r),722(r) 876(r),606(r),830(r),833(r) 188(r),824(r),173(r),88(r) 559(r),688(r),165(r),145(r) 149(r),723(r),877(r),166(r) 114(r),1127(r),1156(r) 93(r),905(r),106(r),885(r) 979(r),775(r),889(r) 47. LP ( 3) S 2 0.70030 -0.22789 87(r),115(r),117(r),120(r) 204(g),126(r),132(r),201(g) 138(r),130(r),445(r),198(g) 676(r),448(r),124(r),662(r) 125(r),119(r),192(r),665(r) 131(r),202(g),141(r),674(r) 89(g),446(r),719(r),773(r) 127(r),129(r),675(r),823(r) 442(r),151(r),678(r),929(r) 146(r),152(r),213(g),161(r) 927(r),771(r),169(r),193(r) 211(g),671(r),658(r),156(r) 260(v),118(r),197(g),167(r) 875(r),139(r),825(r),191(r) 728(r),443(r),669(r),781(r) 668(r),116(r),667(r),721(r) 164(r),128(r),216(g),168(r) 170(r),937(r),145(r),935(r) 185(r),189(r),666(r),147(r) 88(r),174(r),163(r),177(r) 877(r),171(r),97(r),209(g) 772(r),889(r),459(r),134(r) 199(g),135(r),184(r),166(r) 122(r),824(r),188(r),830(r) 154(r),165(r),828(r),606(r) 455(r),1066(r),123(r) 730(r),460(r),779(r),680(r) 723(r),452(r),554(r),722(r) 836(r),885(r),195(r),833(r) 208(g),880(r),882(r) 1127(r),149(r),502(r) 979(r),173(r),93(r),774(r) 688(r),982(r),1156(r) 140(r),780(r),788(r),620(r) 943(r),1153(r),162(r) 693(r),1069(r),137(r) 144(r),514(r),187(r),567(r) 775(r),855(r),942(r),509(r) 876(r),685(r),158(r),157(r) 194(r),697(r),613(r),826(r) 938(r),660(r),619(r),884(r) 183(r),1243(r),930(r) 858(r),1330(r),692(r) 735(r),541(r),745(r),673(r) 684(r),1040(r),562(r) 931(r),155(r),928(r),936(r) 729(r),617(r),1298(r) 133(r),786(r),690(r),886(r) 904(r),178(r),837(r),150(r) 1272(r),695(r),1244(r) 944(r),785(r),181(r),905(r) 878(r),559(r),538(r),910(r) 831(r),1299(r),186(r) 783(r),1273(r),840(r) 663(r),94(r),176(r),834(r) 803(r),505(r),677(r) 1331(r),561(r),646(r) 1098(r),143(r),1302(r) 751(r),960(r),801(r),101(r) 542(r),566(r),1359(r) 804(r),909(r),1358(r) 592(r),1124(r),614(r) 682(r),670(r),114(r) 1309(r),787(r),110(r) 503(r),1340(r),142(r) 736(r),753(r),180(r),504(r) 750(r),593(r),691(r),506(r) 1037(r),978(r),1300(r) 618(r),1161(r),907(r) 797(r),838(r),510(r),557(r) 832(r),679(r),507(r),694(r) 607(r),827(r),908(r) 1270(r),1356(r),121(r) 1378(r),718(r),179(r) 899(r),898(r),672(r),590(r) 664(r) 48. LP ( 1) S 3 0.99563 -0.51911 87(r),115(r),88(r),117(r) 138(r),120(r),119(r),121(r) 105(r) 49. LP ( 2) S 3 0.91419 -0.24657 91(v),319(v),88(r),198(v) 197(v),263(g),320(v),87(r) 118(r),117(r),115(r),116(r) 105(r),122(r),120(r),112(r) 1240(r),662(r),97(r),131(r) 125(r),665(r),728(r) 50. LP ( 1) S 4 0.99599 -0.51290 51. LP ( 2) S 4 0.93924 -0.25802 89(v),92(v),258(v),380(v) 381(v),259(v),324(g),115(r) 116(r),117(r),87(r),118(r) 88(r),138(r),665(r),132(r) 676(r),131(r) 52. LP ( 1) S 5 0.99547 -0.51887 87(r),116(r),88(r),118(r) 120(r),138(r),125(r),101(r) 106(r),119(r) 53. LP ( 2) S 5 0.91496 -0.24697 90(v),319(v),88(r),441(v) 442(v),385(g),320(v),115(r) 87(r),117(r),116(r),118(r) 106(r),120(r),122(r) 1240(r),108(r),662(r) 132(r),665(r),138(r) 54. LP ( 1) S 6 0.98952 -0.47112 87(r),116(r),118(r),382(v) 141(r),123(r),101(r),136(r) 126(r),125(r),119(r),175(r) 138(r),719(r),127(r),665(r) 662(r),94(r),674(r),88(r) 676(r),195(r),165(r),170(r) 773(r),929(r),144(r),115(r) 823(r),169(r),927(r),164(r) 168(r),96(r),174(r),678(r) 134(r),120(r),184(r) 55. LP ( 2) S 6 0.83649 -0.22590 116(r),118(r),91(v),115(r) 87(r),448(g),380(v),120(r) 138(r),445(g),123(r),126(r) 117(r),132(r),121(r),131(r) 676(r),201(r),674(r),127(r) 204(r),125(r),875(r),662(r) 192(r),128(r),442(g),124(r) 665(r),130(r),146(r),141(r) 719(r),929(r),101(r),675(r) 152(r),927(r),151(r),678(r) 667(r),773(r),129(r),877(r) 668(r),119(r),878(r),137(r) 658(r),134(r),139(r),169(r) 937(r),671(r),145(r),167(r) 823(r),161(r),177(r),164(r) 889(r),191(r),195(r),771(r) 174(r),149(r),97(r),147(r) 728(r),935(r),184(r),163(r) 721(r),166(r),193(r),168(r) 171(r),688(r),885(r),189(r) 170(r),185(r),554(r),157(r) 182(r),109(r),660(r),156(r) 722(r),781(r),825(r),882(r) 502(r),144(r),730(r),133(r) 824(r),780(r),165(r),135(r) 772(r),833(r) 56. LP ( 3) S 6 0.70231 -0.22871 87(r),116(r),118(r),448(g) 120(r),445(g),132(r),126(r) 131(r),138(r),201(r),125(r) 442(g),676(r),124(r),204(r) 446(g),192(r),665(r),662(r) 119(r),121(r),674(r),92(g) 141(r),875(r),719(r),929(r) 127(r),675(r),202(r),927(r) 678(r),151(r),129(r),773(r) 146(r),117(r),152(r),169(r) 115(r),199(r),198(r),130(r) 161(r),441(g),455(g),658(r) 667(r),671(r),145(r),382(v) 139(r),771(r),156(r),668(r) 728(r),877(r),134(r),167(r) 123(r),189(r),177(r),147(r) 164(r),460(g),937(r),781(r) 170(r),721(r),174(r),452(g) 168(r),195(r),213(r),823(r) 185(r),163(r),157(r),825(r) 459(g),669(r),191(r),88(r) 133(r),171(r),135(r),457(g) 93(r),144(r),779(r),149(r) 935(r),680(r),876(r),184(r) 882(r),166(r),889(r),193(r) 730(r),828(r),165(r) 1066(r),211(r),660(r) 722(r),554(r),878(r),606(r) 836(r),688(r),216(r),979(r) 443(g),880(r),885(r),833(r) 483(g),208(r),723(r),928(r) 502(r),830(r),943(r),982(r) 1156(r),1069(r),1040(r) 101(r),619(r),772(r),158(r) 780(r),154(r),137(r),182(r) 672(r),1153(r),173(r) 128(r),697(r),930(r),188(r) 788(r),942(r),693(r),824(r) 620(r),140(r),931(r) 1127(r),567(r),666(r) 194(r),613(r),774(r),122(r) 783(r),834(r),685(r),561(r) 509(r),1243(r),155(r) 1356(r),884(r),855(r) 505(r),858(r),904(r) 1272(r),187(r),541(r) 514(r),1037(r),745(r) 663(r),617(r),148(r) 1098(r),729(r),1330(r) 506(r),684(r),695(r),190(r) 176(r),735(r),905(r),162(r) 938(r),538(r),1358(r) 1244(r),150(r),593(r) 510(r),1360(r),944(r) 1331(r),837(r),181(r) 786(r),840(r),803(r) 1273(r),775(r),562(r) 936(r),1359(r),143(r) 891(r),180(r),186(r),717(r) 910(r),832(r),592(r),690(r) 102(r),751(r),569(r),736(r) 785(r),1378(r),908(r) 750(r),691(r),646(r),659(r) 692(r),679(r),909(r),898(r) 558(r),109(r),1357(r) 1038(r),960(r),559(r) 886(r),97(r),682(r),804(r) 727(r),838(r),689(r),566(r) 1365(r),677(r),718(r) 178(r),712(r),1270(r) 687(r),782(r),1298(r) 590(r),661(r),681(r) 1299(r),542(r),614(r) 941(r),1309(r),752(r) 1214(r),670(r),183(r) 537(r),618(r),683(r),726(r) 961(r) 59. BD ( 1) S 2- S 3 0.99055 -0.49481 121(r),115(r),117(r),119(r) 90(g),87(r),322(v),125(r) 124(r),126(r),823(r),136(r) 122(r),138(r),140(r),116(r) 120(r),137(r),727(r),144(r) 555(r),135(r) 60. BD ( 1) S 3- S 4 0.99313 -0.50993 200(v),383(v),126(r),115(r) 91(g),119(r),138(r),117(r) 129(r),116(r),121(r),87(r) 135(r),120(r),118(r),192(r) 662(r),676(r),88(r),132(r) 665(r),658(r),674(r),139(r) 123(r),719(r),675(r),667(r) 875(r),771(r) 61. BD ( 1) S 4- S 5 0.99312 -0.50899 444(v),261(v),443(v),126(r) 90(g),116(r),119(r),120(r) 115(r),118(r),138(r),135(r) 129(r),87(r),117(r),134(r) 192(r),88(r),676(r),662(r) 665(r),658(r),674(r),139(r) 128(r),927(r),133(r),142(r) 675(r),719(r),122(r),667(r) 125(r) 62. BD ( 1) S 5- S 6 0.99034 -0.49746 121(r),116(r),118(r),119(r) 91(g),87(r),122(r),322(v) 126(r),875(r),124(r),120(r) 128(r),134(r),123(r),136(r) 125(r),137(r),115(r),663(r) 140(r),727(r) ------ non-Lewis ---------------------------------- 89. BD*( 1) S 2- S 3 0.05860 0.04674 90. BD*( 1) S 3- S 4 0.06933 0.04108 91. BD*( 1) S 4- S 5 0.06966 0.04013 92. BD*( 1) S 5- S 6 0.05684 0.05065 197. RY ( 1) S 2 0.00540 0.89915 198. RY ( 2) S 2 0.00234 1.09044 199. RY ( 3) S 2 0.00170 1.14193 200. RY ( 4) S 2 0.00132 1.11201 201. RY ( 5) S 2 0.00053 3.02843 202. RY ( 6) S 2 0.00033 2.18026 203. RY ( 7) S 2 0.00028 1.78179 204. RY ( 8) S 2 0.00020 2.97573 205. RY ( 9) S 2 0.00019 1.89583 206. RY (10) S 2 0.00013 2.00925 207. RY (11) S 2 0.00008 1.64682 208. RY (12) S 2 0.00003 1.96437 209. RY (13) S 2 0.00003 1.38056 210. RY (14) S 2 0.00002 1.49822 211. RY (15) S 2 0.00002 2.60790 212. RY (16) S 2 0.00001 1.75342 213. RY (17) S 2 0.00001 2.69882 214. RY (18) S 2 0.00001 3.09426 215. RY (19) S 2 0.00000 2.64783 216. RY (20) S 2 0.00000 2.70172 217. RY (21) S 2 0.00000 6.11595 218. RY (22) S 2 0.00000 6.45176 219. RY (23) S 2 0.00000 5.39910 220. RY (24) S 2 0.00000 5.46306 221. RY (25) S 2 0.00000 5.63821 222. RY (26) S 2 0.00000 4.23564 223. RY (27) S 2 0.00000 6.11249 224. RY (28) S 2 0.00000 4.09923 225. RY (29) S 2 0.00000 4.12670 226. RY (30) S 2 0.00000 4.90902 227. RY (31) S 2 0.00000 4.54038 228. RY (32) S 2 0.00000 4.98607 229. RY (33) S 2 0.00000 3.54518 230. RY (34) S 2 0.00000 5.99691 231. RY (35) S 2 0.00000 4.41651 232. RY (36) S 2 0.00000 4.13804 233. RY (37) S 2 0.00000 3.58158 234. RY (38) S 2 0.00000 3.94934 235. RY (39) S 2 0.00000 3.34878 236. RY (40) S 2 0.00000 3.82295 237. RY (41) S 2 0.00000 4.12307 238. RY (42) S 2 0.00000 3.80130 239. RY (43) S 2 0.00000 3.01149 240. RY (44) S 2 0.00000 2.95520 241. RY (45) S 2 0.00000 2.96186 242. RY (46) S 2 0.00000 74.60083 243. RY (47) S 2 0.00000 405.70504 244. RY (48) S 2 0.00000 27.95745 245. RY (49) S 2 0.00000 35.80738 246. RY (50) S 2 0.00000 12.43955 247. RY (51) S 2 0.00000 22.77191 248. RY (52) S 2 0.00000 15.06498 249. RY (53) S 2 0.00000 11.25160 250. RY (54) S 2 0.00000 14.86867 251. RY (55) S 2 0.00000 7.28629 252. RY (56) S 2 0.00000 7.54741 253. RY (57) S 2 0.00000 11.02601 254. RY (58) S 2 0.00000 5.48485 255. RY (59) S 2 0.00000 5.15841 256. RY (60) S 2 0.00000 7.72049 257. RY (61) S 2 0.00000 4.59465 258. RY ( 1) S 3 0.00811 0.68870 259. RY ( 2) S 3 0.00501 0.66685 260. RY ( 3) S 3 0.00271 0.61828 261. RY ( 4) S 3 0.00133 0.79368 262. RY ( 5) S 3 0.00049 1.44783 263. RY ( 6) S 3 0.00030 1.58997 264. RY ( 7) S 3 0.00024 1.52697 265. RY ( 8) S 3 0.00014 1.62499 266. RY ( 9) S 3 0.00010 1.86533 267. RY (10) S 3 0.00005 1.68593 268. RY (11) S 3 0.00003 1.99575 269. RY (12) S 3 0.00002 1.78798 270. RY (13) S 3 0.00002 2.07603 271. RY (14) S 3 0.00002 2.51231 272. RY (15) S 3 0.00001 2.59781 273. RY (16) S 3 0.00001 1.69518 274. RY (17) S 3 0.00000 5.45276 275. RY (18) S 3 0.00000 6.41635 276. RY (19) S 3 0.00000 4.20184 277. RY (20) S 3 0.00000 5.32819 278. RY (21) S 3 0.00000 4.64830 279. RY (22) S 3 0.00000 3.75906 280. RY (23) S 3 0.00000 4.24063 281. RY (24) S 3 0.00000 5.62697 282. RY (25) S 3 0.00000 5.61026 283. RY (26) S 3 0.00000 3.58138 284. RY (27) S 3 0.00000 3.81326 285. RY (28) S 3 0.00000 4.99753 286. RY (29) S 3 0.00000 5.62588 287. RY (30) S 3 0.00000 4.25064 288. RY (31) S 3 0.00000 4.07090 289. RY (32) S 3 0.00000 3.42584 290. RY (33) S 3 0.00000 3.07481 291. RY (34) S 3 0.00000 4.35414 292. RY (35) S 3 0.00000 4.76362 293. RY (36) S 3 0.00000 4.18212 294. RY (37) S 3 0.00000 5.14350 295. RY (38) S 3 0.00000 4.66184 296. RY (39) S 3 0.00000 3.60020 297. RY (40) S 3 0.00000 3.75486 298. RY (41) S 3 0.00000 5.33758 299. RY (42) S 3 0.00000 2.71202 300. RY (43) S 3 0.00000 2.75880 301. RY (44) S 3 0.00000 3.59347 302. RY (45) S 3 0.00000 3.20185 303. RY (46) S 3 0.00000 2.57775 304. RY (47) S 3 0.00000 2.14920 305. RY (48) S 3 0.00000 62.02563 306. RY (49) S 3 0.00000 284.26534 307. RY (50) S 3 0.00000 69.61481 308. RY (51) S 3 0.00000 49.40303 309. RY (52) S 3 0.00000 62.34510 310. RY (53) S 3 0.00000 55.29490 311. RY (54) S 3 0.00000 27.49725 312. RY (55) S 3 0.00000 6.75476 313. RY (56) S 3 0.00000 6.36079 314. RY (57) S 3 0.00000 6.38498 315. RY (58) S 3 0.00000 4.54833 316. RY (59) S 3 0.00000 6.54597 317. RY (60) S 3 0.00000 8.86245 318. RY (61) S 3 0.00000 4.65123 319. RY ( 1) S 4 0.00800 0.75601 320. RY ( 2) S 4 0.00546 0.67372 321. RY ( 3) S 4 0.00184 0.71387 322. RY ( 4) S 4 0.00165 0.71508 323. RY ( 5) S 4 0.00040 0.65808 324. RY ( 6) S 4 0.00020 1.70337 325. RY ( 7) S 4 0.00011 1.28748 326. RY ( 8) S 4 0.00011 2.35657 327. RY ( 9) S 4 0.00007 1.39703 328. RY (10) S 4 0.00003 2.56171 329. RY (11) S 4 0.00003 2.59250 330. RY (12) S 4 0.00002 1.08605 331. RY (13) S 4 0.00001 1.44718 332. RY (14) S 4 0.00001 2.07532 333. RY (15) S 4 0.00001 1.66740 334. RY (16) S 4 0.00000 1.77682 335. RY (17) S 4 0.00000 5.65443 336. RY (18) S 4 0.00000 5.88793 337. RY (19) S 4 0.00000 6.89106 338. RY (20) S 4 0.00000 4.41727 339. RY (21) S 4 0.00000 4.81636 340. RY (22) S 4 0.00000 6.56282 341. RY (23) S 4 0.00000 3.58795 342. RY (24) S 4 0.00000 3.78003 343. RY (25) S 4 0.00000 6.00885 344. RY (26) S 4 0.00000 3.70782 345. RY (27) S 4 0.00000 3.83897 346. RY (28) S 4 0.00000 4.54135 347. RY (29) S 4 0.00000 5.63262 348. RY (30) S 4 0.00000 3.53858 349. RY (31) S 4 0.00000 4.72751 350. RY (32) S 4 0.00000 4.25919 351. RY (33) S 4 0.00000 4.66860 352. RY (34) S 4 0.00000 5.76878 353. RY (35) S 4 0.00000 6.01961 354. RY (36) S 4 0.00000 4.25510 355. RY (37) S 4 0.00000 4.24001 356. RY (38) S 4 0.00000 3.70608 357. RY (39) S 4 0.00000 3.85120 358. RY (40) S 4 0.00000 4.11744 359. RY (41) S 4 0.00000 2.67431 360. RY (42) S 4 0.00000 2.25719 361. RY (43) S 4 0.00000 6.14387 362. RY (44) S 4 0.00000 3.59886 363. RY (45) S 4 0.00000 3.11772 364. RY (46) S 4 0.00000 6.49788 365. RY (47) S 4 0.00000 3.05828 366. RY (48) S 4 0.00000 3.77187 367. RY (49) S 4 0.00000 3.12391 368. RY (50) S 4 0.00000 70.98567 369. RY (51) S 4 0.00000 372.56915 370. RY (52) S 4 0.00000 47.44026 371. RY (53) S 4 0.00000 37.36338 372. RY (54) S 4 0.00000 17.68739 373. RY (55) S 4 0.00000 10.50556 374. RY (56) S 4 0.00000 18.95116 375. RY (57) S 4 0.00000 13.45171 376. RY (58) S 4 0.00000 20.74476 377. RY (59) S 4 0.00000 9.19325 378. RY (60) S 4 0.00000 10.04557 379. RY (61) S 4 0.00000 9.86887 380. RY ( 1) S 5 0.00802 0.69323 381. RY ( 2) S 5 0.00508 0.66597 382. RY ( 3) S 5 0.00274 0.60971 383. RY ( 4) S 5 0.00134 0.78247 384. RY ( 5) S 5 0.00045 1.47033 385. RY ( 6) S 5 0.00029 1.55317 386. RY ( 7) S 5 0.00023 1.52067 387. RY ( 8) S 5 0.00014 1.48315 388. RY ( 9) S 5 0.00009 1.91411 389. RY (10) S 5 0.00005 1.69964 390. RY (11) S 5 0.00003 1.98273 391. RY (12) S 5 0.00002 1.79356 392. RY (13) S 5 0.00002 2.24023 393. RY (14) S 5 0.00001 2.72522 394. RY (15) S 5 0.00001 1.92785 395. RY (16) S 5 0.00001 1.74208 396. RY (17) S 5 0.00000 4.76454 397. RY (18) S 5 0.00000 4.86145 398. RY (19) S 5 0.00000 5.69539 399. RY (20) S 5 0.00000 4.20305 400. RY (21) S 5 0.00000 4.22939 401. RY (22) S 5 0.00000 4.12034 402. RY (23) S 5 0.00000 4.41650 403. RY (24) S 5 0.00000 4.97801 404. RY (25) S 5 0.00000 3.62817 405. RY (26) S 5 0.00000 4.46044 406. RY (27) S 5 0.00000 4.65434 407. RY (28) S 5 0.00000 3.90002 408. RY (29) S 5 0.00000 5.38241 409. RY (30) S 5 0.00000 4.32023 410. RY (31) S 5 0.00000 4.55066 411. RY (32) S 5 0.00000 3.64827 412. RY (33) S 5 0.00000 3.36189 413. RY (34) S 5 0.00000 4.82670 414. RY (35) S 5 0.00000 4.50843 415. RY (36) S 5 0.00000 5.51080 416. RY (37) S 5 0.00000 3.14097 417. RY (38) S 5 0.00000 3.70441 418. RY (39) S 5 0.00000 2.96984 419. RY (40) S 5 0.00000 4.42843 420. RY (41) S 5 0.00000 4.62884 421. RY (42) S 5 0.00000 4.92888 422. RY (43) S 5 0.00000 3.07874 423. RY (44) S 5 0.00000 4.02854 424. RY (45) S 5 0.00000 2.77386 425. RY (46) S 5 0.00000 3.39688 426. RY (47) S 5 0.00000 1.81107 427. RY (48) S 5 0.00000 71.62674 428. RY (49) S 5 0.00000 321.96137 429. RY (50) S 5 0.00000 30.30712 430. RY (51) S 5 0.00000 24.57200 431. RY (52) S 5 0.00000 43.82991 432. RY (53) S 5 0.00000 92.82033 433. RY (54) S 5 0.00000 15.94594 434. RY (55) S 5 0.00000 18.33998 435. RY (56) S 5 0.00000 6.50232 436. RY (57) S 5 0.00000 5.00425 437. RY (58) S 5 0.00000 7.86431 438. RY (59) S 5 0.00000 4.64393 439. RY (60) S 5 0.00000 8.18795 440. RY (61) S 5 0.00000 5.40074 441. RY ( 1) S 6 0.00561 0.89945 442. RY ( 2) S 6 0.00236 1.12430 443. RY ( 3) S 6 0.00163 1.21024 444. RY ( 4) S 6 0.00135 0.99523 445. RY ( 5) S 6 0.00056 2.91656 446. RY ( 6) S 6 0.00032 2.35805 447. RY ( 7) S 6 0.00024 1.87072 448. RY ( 8) S 6 0.00022 2.63827 449. RY ( 9) S 6 0.00019 2.17787 450. RY (10) S 6 0.00012 1.92603 451. RY (11) S 6 0.00006 1.82351 452. RY (12) S 6 0.00004 2.04314 453. RY (13) S 6 0.00003 1.68457 454. RY (14) S 6 0.00003 1.35753 455. RY (15) S 6 0.00002 3.13134 456. RY (16) S 6 0.00002 1.81773 457. RY (17) S 6 0.00001 2.38429 458. RY (18) S 6 0.00001 2.28079 459. RY (19) S 6 0.00001 2.47287 460. RY (20) S 6 0.00001 3.11376 461. RY (21) S 6 0.00000 4.35001 462. RY (22) S 6 0.00000 5.94913 463. RY (23) S 6 0.00000 5.01261 464. RY (24) S 6 0.00000 4.64604 465. RY (25) S 6 0.00000 5.29517 466. RY (26) S 6 0.00000 4.63236 467. RY (27) S 6 0.00000 4.97354 468. RY (28) S 6 0.00000 4.26611 469. RY (29) S 6 0.00000 4.92955 470. RY (30) S 6 0.00000 4.85801 471. RY (31) S 6 0.00000 3.91850 472. RY (32) S 6 0.00000 4.73871 473. RY (33) S 6 0.00000 4.84446 474. RY (34) S 6 0.00000 5.01740 475. RY (35) S 6 0.00000 4.13383 476. RY (36) S 6 0.00000 4.46936 477. RY (37) S 6 0.00000 3.43563 478. RY (38) S 6 0.00000 3.91016 479. RY (39) S 6 0.00000 3.04080 480. RY (40) S 6 0.00000 3.45083 481. RY (41) S 6 0.00000 3.62092 482. RY (42) S 6 0.00000 2.58329 483. RY (43) S 6 0.00000 2.84982 484. RY (44) S 6 0.00000 104.28770 485. RY (45) S 6 0.00000 355.98745 486. RY (46) S 6 0.00000 47.84359 487. RY (47) S 6 0.00000 26.35031 488. RY (48) S 6 0.00000 27.67882 489. RY (49) S 6 0.00000 18.90612 490. RY (50) S 6 0.00000 11.06961 491. RY (51) S 6 0.00000 16.56997 492. RY (52) S 6 0.00000 10.54559 493. RY (53) S 6 0.00000 13.63083 494. RY (54) S 6 0.00000 5.21732 495. RY (55) S 6 0.00000 5.76814 496. RY (56) S 6 0.00000 5.46237 497. RY (57) S 6 0.00000 6.30174 498. RY (58) S 6 0.00000 8.20395 499. RY (59) S 6 0.00000 4.92113 500. RY (60) S 6 0.00000 8.07142 501. RY (61) S 6 0.00000 5.38094 ------------------------------- Total Lewis 39.77585 ( 99.1647%) Valence non-Lewis 0.25442 ( 0.6343%) Rydberg non-Lewis 0.08063 ( 0.2010%) ------------------------------- Total unit 2 40.11090 (100.0000%) Charge unit 2 -0.11090 $CHOOSE ALPHA LONE 1 2 2 3 3 2 4 2 5 2 6 3 11 1 END BOND S 1 10 S 2 3 S 3 4 S 4 5 S 5 6 S 7 10 S 7 16 S 7 17 S 7 18 S 8 10 S 8 19 S 8 20 S 8 21 S 9 10 S 9 22 S 9 23 S 9 24 S 11 12 S 11 15 S 11 25 S 12 13 S 12 26 S 13 14 S 13 27 S 14 15 S 14 29 S 15 28 END 3C S 1 12 13 S 1 14 15 END END BETA LONE 1 2 2 3 3 2 4 2 5 2 6 3 11 1 END BOND S 1 10 S 2 3 S 3 4 S 4 5 S 5 6 S 7 10 S 7 16 S 7 17 S 7 18 S 8 10 S 8 19 S 8 20 S 8 21 S 9 10 S 9 22 S 9 23 S 9 24 S 11 12 S 11 15 S 11 25 S 12 13 S 12 26 S 13 14 S 13 27 S 14 15 S 14 29 S 15 28 END 3C S 1 12 13 S 1 14 15 END END $END Checkpoint NBOs sorted by occupancy: Alpha orbitals: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 1.00000 -87.19372 5. CR ( 1) S 2 2. 1.00000 -9.37629 6. CR ( 2) S 2 3. 1.00000 -87.72951 10. CR ( 1) S 3 4. 1.00000 -87.99390 15. CR ( 1) S 4 5. 1.00000 -87.72005 20. CR ( 1) S 5 6. 1.00000 -87.16519 25. CR ( 1) S 6 7. 1.00000 -5.87683 7. CR ( 3) S 2 8. 1.00000 -8.89642 11. CR ( 2) S 3 9. 1.00000 -5.86874 8. CR ( 4) S 2 10. 1.00000 -5.86772 9. CR ( 5) S 2 11. 1.00000 -8.63143 16. CR ( 2) S 4 12. 1.00000 -8.90640 21. CR ( 2) S 5 13. 1.00000 -9.40688 26. CR ( 2) S 6 14. 1.00000 -72.78063 33. CR ( 1) P 10 15. 1.00000 -10.68411 34. CR ( 2) P 10 16. 1.00000 -5.90112 12. CR ( 3) S 3 17. 1.00000 -5.89509 13. CR ( 4) S 3 18. 1.00000 -5.89859 14. CR ( 5) S 3 19. 1.00000 -5.89369 17. CR ( 3) S 4 20. 1.00000 -5.89681 18. CR ( 4) S 4 21. 1.00000 -5.90373 19. CR ( 5) S 4 22. 1.00000 -5.90163 22. CR ( 3) S 5 23. 1.00000 -5.89410 23. CR ( 4) S 5 24. 1.00000 -5.89988 24. CR ( 5) S 5 25. 1.00000 -5.87783 27. CR ( 3) S 6 26. 1.00000 -5.86993 28. CR ( 4) S 6 27. 1.00000 -5.86863 29. CR ( 5) S 6 28. 1.00000 -4.70738 35. CR ( 3) P 10 29. 1.00000 -4.70919 36. CR ( 4) P 10 30. 1.00000 -4.71044 37. CR ( 5) P 10 31. 0.99999 -10.19389 30. CR ( 1) C 7 32. 0.99999 -10.18990 31. CR ( 1) C 8 33. 0.99999 -10.19906 32. CR ( 1) C 9 34. 0.99999 -10.20899 38. CR ( 1) C 11 35. 0.99999 -10.21695 39. CR ( 1) C 12 36. 0.99999 -10.21799 40. CR ( 1) C 13 37. 0.99999 -10.21502 41. CR ( 1) C 14 38. 0.99999 -10.21614 42. CR ( 1) C 15 39. 0.99997 -2.79256 1. CR ( 1)Tc 1 40. 0.99991 -1.70059 2. CR ( 2)Tc 1 41. 0.99990 -1.72008 3. CR ( 3)Tc 1 42. 0.99990 -1.72225 4. CR ( 4)Tc 1 43. 0.99599 -0.51290 50. LP ( 1) S 4 44. 0.99563 -0.51911 48. LP ( 1) S 3 45. 0.99547 -0.51887 52. LP ( 1) S 5 46. 0.99405 -0.46867 68. BD ( 1) C 8- H 19 47. 0.99403 -0.47597 72. BD ( 1) C 9- H 22 48. 0.99396 -0.47198 64. BD ( 1) C 7- H 16 49. 0.99320 -0.47403 73. BD ( 1) C 9- H 23 50. 0.99313 -0.50993 60. BD ( 1) S 3- S 4 51. 0.99312 -0.50899 61. BD ( 1) S 4- S 5 52. 0.99300 -0.46986 65. BD ( 1) C 7- H 17 53. 0.99268 -0.47568 74. BD ( 1) C 9- H 24 54. 0.99241 -0.46181 69. BD ( 1) C 8- H 20 55. 0.99185 -0.46489 70. BD ( 1) C 8- H 21 56. 0.99178 -0.46841 66. BD ( 1) C 7- H 18 57. 0.99109 -0.49151 81. BD ( 1) C 13- H 27 58. 0.99093 -0.48227 77. BD ( 1) C 11- H 25 59. 0.99086 -0.48504 84. BD ( 1) C 15- H 28 60. 0.99073 -0.48559 79. BD ( 1) C 12- H 26 61. 0.99072 -0.48907 83. BD ( 1) C 14- H 29 62. 0.99055 -0.49481 59. BD ( 1) S 2- S 3 63. 0.99034 -0.49746 62. BD ( 1) S 5- S 6 64. 0.99002 -0.47647 67. BD ( 1) C 8- P 10 65. 0.98986 -0.48050 71. BD ( 1) C 9- P 10 66. 0.98964 -0.47727 63. BD ( 1) C 7- P 10 67. 0.98952 -0.47112 54. LP ( 1) S 6 68. 0.98943 -0.47088 45. LP ( 1) S 2 69. 0.98715 -0.56319 75. BD ( 1) C 11- C 12 70. 0.98668 -0.56460 76. BD ( 1) C 11- C 15 71. 0.98667 -0.55573 78. BD ( 1) C 12- C 13 72. 0.98663 -0.55595 82. BD ( 1) C 14- C 15 73. 0.98276 -0.53897 80. BD ( 1) C 13- C 14 74. 0.97834 -0.36028 58. BD ( 1)Tc 1- P 10 75. 0.93924 -0.25802 51. LP ( 2) S 4 76. 0.92996 -0.19090 43. LP ( 1)Tc 1 77. 0.91554 -0.32353 85. 3C ( 1)Tc 1- C 12- C 13 78. 0.91496 -0.24697 53. LP ( 2) S 5 79. 0.91473 -0.32130 86. 3C ( 1)Tc 1- C 14- C 15 80. 0.91419 -0.24657 49. LP ( 2) S 3 81. 0.88444 -0.18572 44. LP ( 2)Tc 1 82. 0.83649 -0.22590 55. LP ( 2) S 6 83. 0.83523 -0.22427 46. LP ( 2) S 2 84. 0.70231 -0.22871 56. LP ( 3) S 6 85. 0.70030 -0.22789 47. LP ( 3) S 2 86. 0.51352 -0.12669 57. LP ( 1) C 11 87. 0.34635 0.04779 116. 3Cn( 1)Tc 1- C 14- C 15 88. 0.33936 0.05820 115. 3Cn( 1)Tc 1- C 12- C 13 89. 0.32601 0.63050 87. LV ( 1)Tc 1 90. 0.22062 0.07974 88. BD*( 1)Tc 1- P 10 91. 0.19693 0.05411 118. 3C*( 1)Tc 1- C 14- C 15 92. 0.19577 0.06121 117. 3C*( 1)Tc 1- C 12- C 13 93. 0.06966 0.04013 91. BD*( 1) S 4- S 5 94. 0.06933 0.04108 90. BD*( 1) S 3- S 4 95. 0.05860 0.04674 89. BD*( 1) S 2- S 3 96. 0.05684 0.05065 92. BD*( 1) S 5- S 6 97. 0.03391 0.19396 93. BD*( 1) C 7- P 10 98. 0.03134 0.19506 101. BD*( 1) C 9- P 10 99. 0.03095 0.19774 97. BD*( 1) C 8- P 10 100. 0.01647 0.42074 110. BD*( 1) C 13- C 14 101. 0.01097 0.44236 108. BD*( 1) C 12- C 13 102. 0.01059 0.44680 112. BD*( 1) C 14- C 15 103. 0.00889 0.38882 111. BD*( 1) C 13- H 27 104. 0.00842 0.39443 113. BD*( 1) C 14- H 29 105. 0.00811 0.68870 258. RY ( 1) S 3 106. 0.00802 0.69323 380. RY ( 1) S 5 107. 0.00800 0.75601 319. RY ( 1) S 4 108. 0.00794 0.46096 105. BD*( 1) C 11- C 12 109. 0.00790 2.36622 119. RY ( 1)Tc 1 110. 0.00788 0.46468 106. BD*( 1) C 11- C 15 111. 0.00783 0.40169 114. BD*( 1) C 15- H 28 112. 0.00772 0.40062 109. BD*( 1) C 12- H 26 113. 0.00699 0.41527 107. BD*( 1) C 11- H 25 114. 0.00564 1.59888 658. RY ( 1) P 10 115. 0.00561 0.89945 441. RY ( 1) S 6 116. 0.00546 0.67372 320. RY ( 2) S 4 117. 0.00540 0.89915 197. RY ( 1) S 2 118. 0.00508 0.66597 381. RY ( 2) S 5 119. 0.00502 1.41476 659. RY ( 2) P 10 120. 0.00501 0.66685 259. RY ( 2) S 3 121. 0.00497 0.34817 94. BD*( 1) C 7- H 16 122. 0.00481 0.34643 102. BD*( 1) C 9- H 22 123. 0.00434 0.35053 98. BD*( 1) C 8- H 19 124. 0.00367 2.58877 120. RY ( 2)Tc 1 125. 0.00355 2.69044 121. RY ( 3)Tc 1 126. 0.00312 1.57983 875. RY ( 1) C 14 127. 0.00300 0.35886 96. BD*( 1) C 7- H 18 128. 0.00291 2.11419 719. RY ( 1) C 11 129. 0.00284 1.35147 660. RY ( 3) P 10 130. 0.00274 0.60971 382. RY ( 3) S 5 131. 0.00274 1.51312 823. RY ( 1) C 13 132. 0.00271 1.31816 661. RY ( 4) P 10 133. 0.00271 0.61828 260. RY ( 3) S 3 134. 0.00268 0.34129 104. BD*( 1) C 9- H 24 135. 0.00259 1.89347 662. RY ( 5) P 10 136. 0.00258 0.36006 100. BD*( 1) C 8- H 21 137. 0.00254 0.34953 95. BD*( 1) C 7- H 17 138. 0.00250 0.36083 99. BD*( 1) C 8- H 20 139. 0.00244 0.35036 103. BD*( 1) C 9- H 23 140. 0.00237 1.54861 927. RY ( 1) C 15 141. 0.00236 1.12430 442. RY ( 2) S 6 142. 0.00234 1.09044 198. RY ( 2) S 2 143. 0.00227 1.27765 122. RY ( 4)Tc 1 144. 0.00219 1.47299 771. RY ( 1) C 12 145. 0.00212 1.41800 720. RY ( 2) C 11 146. 0.00199 1.64765 123. RY ( 5)Tc 1 147. 0.00191 1.52381 772. RY ( 2) C 12 148. 0.00190 1.51567 928. RY ( 2) C 15 149. 0.00184 0.71387 321. RY ( 3) S 4 150. 0.00183 3.02767 124. RY ( 6)Tc 1 151. 0.00179 2.12992 721. RY ( 3) C 11 152. 0.00175 1.58086 876. RY ( 2) C 14 153. 0.00174 2.76328 125. RY ( 7)Tc 1 154. 0.00172 1.57221 824. RY ( 2) C 13 155. 0.00170 1.14193 199. RY ( 3) S 2 156. 0.00165 1.33581 663. RY ( 6) P 10 157. 0.00165 0.71508 322. RY ( 4) S 4 158. 0.00163 1.21024 443. RY ( 3) S 6 159. 0.00160 2.60553 929. RY ( 3) C 15 160. 0.00158 2.59881 773. RY ( 3) C 12 161. 0.00149 2.26062 877. RY ( 3) C 14 162. 0.00147 2.20959 126. RY ( 8)Tc 1 163. 0.00144 2.30326 825. RY ( 3) C 13 164. 0.00135 0.99523 444. RY ( 4) S 6 165. 0.00134 0.78247 383. RY ( 4) S 5 166. 0.00133 0.79368 261. RY ( 4) S 3 167. 0.00133 2.39341 554. RY ( 1) C 8 168. 0.00132 1.11201 200. RY ( 4) S 2 169. 0.00131 1.23980 664. RY ( 7) P 10 170. 0.00127 2.66987 502. RY ( 1) C 7 171. 0.00106 2.76821 606. RY ( 1) C 9 172. 0.00106 2.12140 127. RY ( 9)Tc 1 173. 0.00096 2.32903 128. RY (10)Tc 1 174. 0.00087 3.52642 129. RY (11)Tc 1 175. 0.00080 2.34609 665. RY ( 8) P 10 176. 0.00065 3.32330 130. RY (12)Tc 1 177. 0.00057 5.75511 131. RY (13)Tc 1 178. 0.00056 2.91656 445. RY ( 5) S 6 179. 0.00055 1.97297 555. RY ( 2) C 8 180. 0.00054 1.38482 722. RY ( 4) C 11 181. 0.00054 1.91833 607. RY ( 2) C 9 182. 0.00053 3.02843 201. RY ( 5) S 2 183. 0.00052 1.96732 503. RY ( 2) C 7 184. 0.00050 1.60009 878. RY ( 4) C 14 185. 0.00050 1.65231 826. RY ( 4) C 13 186. 0.00049 1.44783 262. RY ( 5) S 3 187. 0.00047 2.76017 930. RY ( 4) C 15 188. 0.00047 2.57640 774. RY ( 4) C 12 189. 0.00045 1.47033 384. RY ( 5) S 5 190. 0.00045 5.18966 132. RY (14)Tc 1 191. 0.00045 2.79749 827. RY ( 5) C 13 192. 0.00044 2.14383 666. RY ( 9) P 10 193. 0.00044 2.87156 879. RY ( 5) C 14 194. 0.00043 2.02795 931. RY ( 5) C 15 195. 0.00043 2.19972 775. RY ( 5) C 12 196. 0.00042 1.45905 1153. RY ( 1) H 22 197. 0.00042 1.32172 1298. RY ( 1) H 27 198. 0.00041 1.57762 1240. RY ( 1) H 25 199. 0.00041 1.32712 979. RY ( 1) H 16 200. 0.00040 1.24162 1327. RY ( 1) H 28 201. 0.00040 0.65808 323. RY ( 5) S 4 202. 0.00040 2.49993 133. RY (15)Tc 1 203. 0.00040 1.16458 1066. RY ( 1) H 19 204. 0.00037 2.09818 134. RY (16)Tc 1 205. 0.00037 2.61168 1095. RY ( 1) H 20 206. 0.00037 1.39593 1269. RY ( 1) H 26 207. 0.00036 1.41981 1356. RY ( 1) H 29 208. 0.00035 2.43055 667. RY (10) P 10 209. 0.00034 2.69411 1124. RY ( 1) H 21 210. 0.00034 2.69636 1154. RY ( 2) H 22 211. 0.00034 2.84070 1067. RY ( 2) H 19 212. 0.00034 2.76168 1182. RY ( 1) H 23 213. 0.00034 2.79207 980. RY ( 2) H 16 214. 0.00034 2.70983 1037. RY ( 1) H 18 215. 0.00033 2.18026 202. RY ( 6) S 2 216. 0.00033 2.84576 1008. RY ( 1) H 17 217. 0.00032 2.35805 446. RY ( 6) S 6 218. 0.00032 2.85667 1211. RY ( 1) H 24 219. 0.00031 2.60109 723. RY ( 5) C 11 220. 0.00030 1.58997 263. RY ( 6) S 3 221. 0.00029 2.53499 135. RY (17)Tc 1 222. 0.00029 1.22862 556. RY ( 3) C 8 223. 0.00029 1.55317 385. RY ( 6) S 5 224. 0.00028 1.78179 203. RY ( 7) S 2 225. 0.00028 3.19334 828. RY ( 6) C 13 226. 0.00027 1.35380 504. RY ( 3) C 7 227. 0.00027 3.34588 880. RY ( 6) C 14 228. 0.00027 3.51434 724. RY ( 6) C 11 229. 0.00027 1.68032 1038. RY ( 2) H 18 230. 0.00027 1.28813 608. RY ( 3) C 9 231. 0.00027 2.89763 1270. RY ( 2) H 26 232. 0.00026 2.96092 1328. RY ( 2) H 28 233. 0.00026 3.70045 776. RY ( 6) C 12 234. 0.00025 2.17196 136. RY (18)Tc 1 235. 0.00025 4.76169 932. RY ( 6) C 15 236. 0.00025 2.97960 1096. RY ( 2) H 20 237. 0.00024 1.87072 447. RY ( 7) S 6 238. 0.00024 2.72609 933. RY ( 7) C 15 239. 0.00024 1.52697 264. RY ( 7) S 3 240. 0.00023 1.52067 386. RY ( 7) S 5 241. 0.00023 2.84856 1241. RY ( 2) H 25 242. 0.00023 3.74535 777. RY ( 7) C 12 243. 0.00023 3.16721 1009. RY ( 2) H 17 244. 0.00023 3.04538 1183. RY ( 2) H 23 245. 0.00023 1.46411 557. RY ( 4) C 8 246. 0.00023 4.06845 725. RY ( 7) C 11 247. 0.00022 2.63827 448. RY ( 8) S 6 248. 0.00022 2.83619 137. RY (19)Tc 1 249. 0.00021 2.87122 668. RY (11) P 10 250. 0.00021 4.68185 829. RY ( 7) C 13 251. 0.00021 2.83964 1329. RY ( 3) H 28 252. 0.00021 3.38657 1357. RY ( 2) H 29 253. 0.00021 2.52518 1242. RY ( 3) H 25 254. 0.00021 2.77650 1271. RY ( 3) H 26 255. 0.00021 2.60622 1299. RY ( 2) H 27 256. 0.00020 4.52590 881. RY ( 7) C 14 257. 0.00020 2.90489 1155. RY ( 3) H 22 258. 0.00020 1.70337 324. RY ( 6) S 4 259. 0.00020 3.36017 1039. RY ( 3) H 18 260. 0.00020 2.96030 1212. RY ( 2) H 24 261. 0.00020 2.97573 204. RY ( 8) S 2 262. 0.00020 3.02266 981. RY ( 3) H 16 263. 0.00019 1.89583 205. RY ( 9) S 2 264. 0.00019 3.35137 1300. RY ( 3) H 27 265. 0.00019 2.85729 1125. RY ( 2) H 21 266. 0.00019 3.06654 1358. RY ( 3) H 29 267. 0.00019 3.18357 1068. RY ( 3) H 19 268. 0.00019 2.17787 449. RY ( 9) S 6 269. 0.00018 1.22716 609. RY ( 4) C 9 270. 0.00017 4.62132 138. RY (20)Tc 1 271. 0.00018 1.49897 505. RY ( 4) C 7 272. 0.00017 2.10050 1097. RY ( 3) H 20 273. 0.00017 2.86229 669. RY (12) P 10 274. 0.00017 1.99290 1010. RY ( 3) H 17 275. 0.00017 2.82287 1126. RY ( 3) H 21 276. 0.00016 1.56228 610. RY ( 5) C 9 277. 0.00016 2.54225 726. RY ( 8) C 11 278. 0.00016 2.09460 1184. RY ( 3) H 23 279. 0.00016 2.65178 1213. RY ( 3) H 24 280. 0.00016 1.71804 1243. RY ( 4) H 25 281. 0.00014 2.80718 778. RY ( 8) C 12 282. 0.00014 2.97909 934. RY ( 8) C 15 283. 0.00014 1.48315 387. RY ( 8) S 5 284. 0.00014 1.62499 265. RY ( 8) S 3 285. 0.00013 3.00504 139. RY (21)Tc 1 286. 0.00013 2.00925 206. RY (10) S 2 287. 0.00013 1.63612 558. RY ( 5) C 8 288. 0.00012 1.92603 450. RY (10) S 6 289. 0.00012 2.98231 140. RY (22)Tc 1 290. 0.00012 1.25125 1098. RY ( 4) H 20 291. 0.00012 3.43026 1359. RY ( 4) H 29 292. 0.00011 1.28748 325. RY ( 7) S 4 293. 0.00011 1.32011 506. RY ( 5) C 7 294. 0.00011 1.68565 611. RY ( 6) C 9 295. 0.00011 3.53100 1301. RY ( 4) H 27 296. 0.00011 1.42255 559. RY ( 6) C 8 297. 0.00011 2.75640 670. RY (13) P 10 298. 0.00011 2.35657 326. RY ( 8) S 4 299. 0.00011 3.03247 1272. RY ( 4) H 26 300. 0.00011 3.02699 1330. RY ( 4) H 28 301. 0.00010 3.42383 141. RY (23)Tc 1 302. 0.00010 1.56921 982. RY ( 4) H 16 303. 0.00010 1.66318 1069. RY ( 4) H 19 304. 0.00010 1.86533 266. RY ( 9) S 3 305. 0.00010 2.99263 830. RY ( 8) C 13 306. 0.00010 3.39442 671. RY (14) P 10 307. 0.00009 2.71124 779. RY ( 9) C 12 308. 0.00009 1.41743 1156. RY ( 4) H 22 309. 0.00009 2.48486 935. RY ( 9) C 15 310. 0.00009 1.91411 388. RY ( 9) S 5 311. 0.00009 3.24313 1244. RY ( 5) H 25 312. 0.00009 1.58320 507. RY ( 6) C 7 313. 0.00008 2.87470 882. RY ( 8) C 14 314. 0.00008 2.75128 672. RY (15) P 10 315. 0.00008 3.33459 142. RY (24)Tc 1 316. 0.00008 1.64682 207. RY (11) S 2 317. 0.00008 1.94869 1302. RY ( 5) H 27 318. 0.00008 1.50500 508. RY ( 7) C 7 319. 0.00007 1.39703 327. RY ( 9) S 4 320. 0.00007 2.50862 727. RY ( 9) C 11 321. 0.00007 1.72805 1040. RY ( 4) H 18 322. 0.00007 2.18932 936. RY (10) C 15 323. 0.00007 1.33594 1127. RY ( 4) H 21 324. 0.00007 1.10248 1214. RY ( 4) H 24 325. 0.00007 2.76987 673. RY (16) P 10 326. 0.00007 1.54840 1185. RY ( 4) H 23 327. 0.00007 2.19882 780. RY (10) C 12 328. 0.00007 1.28518 1011. RY ( 4) H 17 329. 0.00006 2.37456 143. RY (25)Tc 1 330. 0.00006 1.82351 451. RY (11) S 6 331. 0.00006 1.65204 612. RY ( 7) C 9 332. 0.00006 2.58519 728. RY (10) C 11 333. 0.00006 2.15111 1331. RY ( 5) H 28 334. 0.00006 2.73494 883. RY ( 9) C 14 335. 0.00006 1.63089 560. RY ( 7) C 8 336. 0.00006 3.03919 674. RY (17) P 10 337. 0.00006 2.20856 1273. RY ( 5) H 26 338. 0.00006 2.59881 729. RY (11) C 11 339. 0.00006 1.96436 1360. RY ( 5) H 29 340. 0.00005 2.97355 781. RY (11) C 12 341. 0.00005 2.66848 831. RY ( 9) C 13 342. 0.00005 1.68593 267. RY (10) S 3 343. 0.00005 2.62023 144. RY (26)Tc 1 344. 0.00005 1.29993 509. RY ( 8) C 7 345. 0.00005 3.05887 937. RY (11) C 15 346. 0.00005 1.69964 389. RY (10) S 5 347. 0.00004 2.87870 884. RY (10) C 14 348. 0.00004 1.46763 561. RY ( 8) C 8 349. 0.00004 1.07593 613. RY ( 8) C 9 350. 0.00004 2.70833 145. RY (27)Tc 1 351. 0.00004 2.04314 452. RY (12) S 6 352. 0.00004 2.79143 832. RY (10) C 13 353. 0.00004 2.72537 1012. RY ( 5) H 17 354. 0.00004 2.64247 1070. RY ( 5) H 19 355. 0.00004 2.77059 1099. RY ( 5) H 20 356. 0.00004 2.35882 675. RY (18) P 10 357. 0.00004 2.32025 1186. RY ( 5) H 23 358. 0.00003 1.96437 208. RY (12) S 2 359. 0.00003 2.56171 328. RY (10) S 4 360. 0.00003 3.99910 146. RY (28)Tc 1 361. 0.00003 1.68457 453. RY (13) S 6 362. 0.00003 4.19660 938. RY (12) C 15 363. 0.00003 2.42387 1215. RY ( 5) H 24 364. 0.00003 3.93762 782. RY (12) C 12 365. 0.00003 4.26873 783. RY (13) C 12 366. 0.00003 2.59250 329. RY (11) S 4 367. 0.00003 4.58519 676. RY (19) P 10 368. 0.00003 3.26577 833. RY (11) C 13 369. 0.00003 3.02272 885. RY (11) C 14 370. 0.00003 4.15865 939. RY (13) C 15 371. 0.00003 2.65443 983. RY ( 5) H 16 372. 0.00003 2.72633 1157. RY ( 5) H 22 373. 0.00003 3.57419 1245. RY ( 6) H 25 374. 0.00003 3.32774 147. RY (29)Tc 1 375. 0.00003 1.38056 209. RY (13) S 2 376. 0.00003 1.99575 268. RY (11) S 3 377. 0.00002 3.34390 148. RY (30)Tc 1 378. 0.00002 1.49822 210. RY (14) S 2 379. 0.00003 1.98273 390. RY (11) S 5 380. 0.00003 3.70002 730. RY (12) C 11 381. 0.00003 2.49751 1041. RY ( 5) H 18 382. 0.00003 1.35753 454. RY (14) S 6 383. 0.00003 6.90076 1303. RY ( 6) H 27 384. 0.00003 6.85505 1332. RY ( 6) H 28 385. 0.00002 2.25862 562. RY ( 9) C 8 386. 0.00002 3.13134 455. RY (15) S 6 387. 0.00002 2.52936 510. RY ( 9) C 7 388. 0.00002 2.02847 614. RY ( 9) C 9 389. 0.00002 3.84519 731. RY (13) C 11 390. 0.00002 3.61131 886. RY (12) C 14 391. 0.00002 6.84877 1246. RY ( 7) H 25 392. 0.00002 6.85448 1274. RY ( 6) H 26 393. 0.00002 6.87219 1361. RY ( 6) H 29 394. 0.00002 2.60790 211. RY (15) S 2 395. 0.00002 1.79356 391. RY (12) S 5 396. 0.00002 2.54493 511. RY (10) C 7 397. 0.00002 2.85104 615. RY (10) C 9 398. 0.00002 3.43819 834. RY (12) C 13 399. 0.00002 3.62058 149. RY (31)Tc 1 400. 0.00002 1.78798 269. RY (12) S 3 401. 0.00002 2.19352 563. RY (10) C 8 402. 0.00002 3.31585 784. RY (14) C 12 403. 0.00002 3.80796 835. RY (13) C 13 404. 0.00002 3.63701 887. RY (13) C 14 405. 0.00002 3.41366 940. RY (14) C 15 406. 0.00002 2.38156 1128. RY ( 5) H 21 407. 0.00002 2.07603 270. RY (13) S 3 408. 0.00002 1.08605 330. RY (12) S 4 409. 0.00002 4.50000 677. RY (20) P 10 410. 0.00002 4.08378 1100. RY ( 6) H 20 411. 0.00002 2.51231 271. RY (14) S 3 412. 0.00002 2.24023 392. RY (13) S 5 413. 0.00002 1.81773 456. RY (16) S 6 414. 0.00002 2.25663 564. RY (11) C 8 415. 0.00002 4.13669 732. RY (14) C 11 416. 0.00001 3.93806 150. RY (32)Tc 1 417. 0.00001 2.72522 393. RY (14) S 5 418. 0.00001 2.38249 512. RY (11) C 7 419. 0.00001 2.54372 733. RY (15) C 11 420. 0.00001 3.46121 836. RY (14) C 13 421. 0.00001 3.81265 837. RY (15) C 13 422. 0.00001 3.46334 1129. RY ( 6) H 21 423. 0.00001 3.23031 888. RY (14) C 14 424. 0.00001 4.25595 1013. RY ( 6) H 17 425. 0.00001 4.46682 151. RY (33)Tc 1 426. 0.00001 2.38429 457. RY (17) S 6 427. 0.00001 3.65458 678. RY (21) P 10 428. 0.00001 4.17174 734. RY (16) C 11 429. 0.00001 4.43675 785. RY (15) C 12 430. 0.00001 3.88053 889. RY (15) C 14 431. 0.00001 4.02553 1187. RY ( 6) H 23 432. 0.00001 3.91457 1216. RY ( 6) H 24 433. 0.00001 4.08750 1275. RY ( 7) H 26 434. 0.00001 3.85538 1333. RY ( 7) H 28 435. 0.00001 3.53406 786. RY (16) C 12 436. 0.00001 5.12927 152. RY (34)Tc 1 437. 0.00001 1.75342 212. RY (16) S 2 438. 0.00001 2.69882 213. RY (17) S 2 439. 0.00001 3.09426 214. RY (18) S 2 440. 0.00001 2.59781 272. RY (15) S 3 441. 0.00001 1.92785 394. RY (15) S 5 442. 0.00001 1.69518 273. RY (16) S 3 443. 0.00001 2.28079 458. RY (18) S 6 444. 0.00001 1.44718 331. RY (13) S 4 445. 0.00001 1.74208 395. RY (16) S 5 446. 0.00001 2.29325 513. RY (12) C 7 447. 0.00001 2.68466 565. RY (12) C 8 448. 0.00001 3.13825 616. RY (11) C 9 449. 0.00001 4.18141 679. RY (22) P 10 450. 0.00001 4.69283 735. RY (17) C 11 451. 0.00001 3.46117 838. RY (16) C 13 452. 0.00001 4.02565 890. RY (16) C 14 453. 0.00001 4.57280 941. RY (15) C 15 454. 0.00001 3.29990 942. RY (16) C 15 455. 0.00001 4.06163 1042. RY ( 6) H 18 456. 0.00001 4.11620 1217. RY ( 7) H 24 457. 0.00001 3.36560 1304. RY ( 7) H 27 458. 0.00001 3.67322 1014. RY ( 7) H 17 459. 0.00001 3.65496 1101. RY ( 7) H 20 460. 0.00000 3.73246 153. RY (35)Tc 1 461. 0.00000 3.76377 154. RY (36)Tc 1 462. 0.00001 4.27727 155. RY (37)Tc 1 463. 0.00001 3.38617 156. RY (38)Tc 1 464. 0.00000 2.64783 215. RY (19) S 2 465. 0.00000 2.70172 216. RY (20) S 2 466. 0.00001 2.07532 332. RY (14) S 4 467. 0.00001 1.66740 333. RY (15) S 4 468. 0.00001 2.47287 459. RY (19) S 6 469. 0.00001 3.11376 460. RY (20) S 6 470. 0.00001 2.45914 514. RY (13) C 7 471. 0.00001 2.91404 515. RY (14) C 7 472. 0.00001 2.99333 566. RY (13) C 8 473. 0.00001 2.31833 617. RY (12) C 9 474. 0.00001 3.05566 787. RY (17) C 12 475. 0.00001 3.28066 839. RY (17) C 13 476. 0.00001 4.02342 891. RY (17) C 14 477. 0.00001 4.76230 1043. RY ( 7) H 18 478. 0.00001 4.14246 1188. RY ( 7) H 23 479. 0.00001 4.13157 984. RY ( 6) H 16 480. 0.00001 4.86634 1044. RY ( 8) H 18 481. 0.00001 4.01016 1130. RY ( 7) H 21 482. 0.00000 5.34760 157. RY (39)Tc 1 483. 0.00000 5.83849 158. RY (40)Tc 1 484. 0.00000 4.17290 159. RY (41)Tc 1 485. 0.00000 4.26382 160. RY (42)Tc 1 486. 0.00000 3.77370 161. RY (43)Tc 1 487. 0.00000 4.52099 162. RY (44)Tc 1 488. 0.00000 5.17509 163. RY (45)Tc 1 489. 0.00000 11.62806 164. RY (46)Tc 1 490. 0.00000 11.90305 165. RY (47)Tc 1 491. 0.00000 8.01968 166. RY (48)Tc 1 492. 0.00000 8.43563 167. RY (49)Tc 1 493. 0.00000 9.88923 168. RY (50)Tc 1 494. 0.00000 23.52763 169. RY (51)Tc 1 495. 0.00000 13.94179 170. RY (52)Tc 1 496. 0.00000 6.72450 171. RY (53)Tc 1 497. 0.00000 4.29239 172. RY (54)Tc 1 498. 0.00000 5.47020 173. RY (55)Tc 1 499. 0.00000 7.76956 174. RY (56)Tc 1 500. 0.00000 11.23088 175. RY (57)Tc 1 501. 0.00000 4.34456 176. RY (58)Tc 1 502. 0.00000 5.11454 177. RY (59)Tc 1 503. 0.00000 5.11342 178. RY (60)Tc 1 504. 0.00000 3.81629 179. RY (61)Tc 1 505. 0.00000 3.28491 180. RY (62)Tc 1 506. 0.00000 4.36780 181. RY (63)Tc 1 507. 0.00000 5.02120 182. RY (64)Tc 1 508. 0.00000 5.49985 183. RY (65)Tc 1 509. 0.00000 4.61512 184. RY (66)Tc 1 510. 0.00000 4.12620 185. RY (67)Tc 1 511. 0.00000 4.97631 186. RY (68)Tc 1 512. 0.00000 4.42086 187. RY (69)Tc 1 513. 0.00000 3.88282 188. RY (70)Tc 1 514. 0.00000 5.27756 189. RY (71)Tc 1 515. 0.00000 3.30029 190. RY (72)Tc 1 516. 0.00000 4.38511 191. RY (73)Tc 1 517. 0.00000 5.31762 192. RY (74)Tc 1 518. 0.00000 3.97949 193. RY (75)Tc 1 519. 0.00000 3.41292 194. RY (76)Tc 1 520. 0.00000 4.76712 195. RY (77)Tc 1 521. 0.00000 4.25620 196. RY (78)Tc 1 522. 0.00000 6.11595 217. RY (21) S 2 523. 0.00000 6.45176 218. RY (22) S 2 524. 0.00000 5.39910 219. RY (23) S 2 525. 0.00000 5.46306 220. RY (24) S 2 526. 0.00000 5.63821 221. RY (25) S 2 527. 0.00000 4.23564 222. RY (26) S 2 528. 0.00000 6.11249 223. RY (27) S 2 529. 0.00000 4.09923 224. RY (28) S 2 530. 0.00000 4.12670 225. RY (29) S 2 531. 0.00000 4.90902 226. RY (30) S 2 532. 0.00000 4.54038 227. RY (31) S 2 533. 0.00000 4.98607 228. RY (32) S 2 534. 0.00000 3.54518 229. RY (33) S 2 535. 0.00000 5.99691 230. RY (34) S 2 536. 0.00000 4.41651 231. RY (35) S 2 537. 0.00000 4.13804 232. RY (36) S 2 538. 0.00000 3.58158 233. RY (37) S 2 539. 0.00000 3.94934 234. RY (38) S 2 540. 0.00000 3.34878 235. RY (39) S 2 541. 0.00000 3.82295 236. RY (40) S 2 542. 0.00000 4.12307 237. RY (41) S 2 543. 0.00000 3.80130 238. RY (42) S 2 544. 0.00000 3.01149 239. RY (43) S 2 545. 0.00000 2.95520 240. RY (44) S 2 546. 0.00000 2.96186 241. RY (45) S 2 547. 0.00000 74.60083 242. RY (46) S 2 548. 0.00000 405.70504 243. RY (47) S 2 549. 0.00000 27.95745 244. RY (48) S 2 550. 0.00000 35.80738 245. RY (49) S 2 551. 0.00000 12.43955 246. RY (50) S 2 552. 0.00000 22.77191 247. RY (51) S 2 553. 0.00000 15.06498 248. RY (52) S 2 554. 0.00000 11.25160 249. RY (53) S 2 555. 0.00000 14.86867 250. RY (54) S 2 556. 0.00000 7.28629 251. RY (55) S 2 557. 0.00000 7.54741 252. RY (56) S 2 558. 0.00000 11.02601 253. RY (57) S 2 559. 0.00000 5.48485 254. RY (58) S 2 560. 0.00000 5.15841 255. RY (59) S 2 561. 0.00000 7.72049 256. RY (60) S 2 562. 0.00000 4.59465 257. RY (61) S 2 563. 0.00000 5.45276 274. RY (17) S 3 564. 0.00000 6.41635 275. RY (18) S 3 565. 0.00000 4.20184 276. RY (19) S 3 566. 0.00000 5.32819 277. RY (20) S 3 567. 0.00000 4.64830 278. RY (21) S 3 568. 0.00000 3.75906 279. RY (22) S 3 569. 0.00000 4.24063 280. RY (23) S 3 570. 0.00000 5.62697 281. RY (24) S 3 571. 0.00000 5.61026 282. RY (25) S 3 572. 0.00000 3.58138 283. RY (26) S 3 573. 0.00000 3.81326 284. RY (27) S 3 574. 0.00000 4.99753 285. RY (28) S 3 575. 0.00000 5.62588 286. RY (29) S 3 576. 0.00000 4.25064 287. RY (30) S 3 577. 0.00000 4.07090 288. RY (31) S 3 578. 0.00000 3.42584 289. RY (32) S 3 579. 0.00000 3.07481 290. RY (33) S 3 580. 0.00000 4.35414 291. RY (34) S 3 581. 0.00000 4.76362 292. RY (35) S 3 582. 0.00000 4.18212 293. RY (36) S 3 583. 0.00000 5.14350 294. RY (37) S 3 584. 0.00000 4.66184 295. RY (38) S 3 585. 0.00000 3.60020 296. RY (39) S 3 586. 0.00000 3.75486 297. RY (40) S 3 587. 0.00000 5.33758 298. RY (41) S 3 588. 0.00000 2.71202 299. RY (42) S 3 589. 0.00000 2.75880 300. RY (43) S 3 590. 0.00000 3.59347 301. RY (44) S 3 591. 0.00000 3.20185 302. RY (45) S 3 592. 0.00000 2.57775 303. RY (46) S 3 593. 0.00000 2.14920 304. RY (47) S 3 594. 0.00000 1.77682 334. RY (16) S 4 595. 0.00000 62.02563 305. RY (48) S 3 596. 0.00000 284.26534 306. RY (49) S 3 597. 0.00000 69.61481 307. RY (50) S 3 598. 0.00000 49.40303 308. RY (51) S 3 599. 0.00000 62.34510 309. RY (52) S 3 600. 0.00000 55.29490 310. RY (53) S 3 601. 0.00000 27.49725 311. RY (54) S 3 602. 0.00000 6.75476 312. RY (55) S 3 603. 0.00000 6.36079 313. RY (56) S 3 604. 0.00000 6.38498 314. RY (57) S 3 605. 0.00000 4.54833 315. RY (58) S 3 606. 0.00000 6.54597 316. RY (59) S 3 607. 0.00000 8.86245 317. RY (60) S 3 608. 0.00000 4.65123 318. RY (61) S 3 609. 0.00000 5.65443 335. RY (17) S 4 610. 0.00000 5.88793 336. RY (18) S 4 611. 0.00000 6.89106 337. RY (19) S 4 612. 0.00000 4.41727 338. RY (20) S 4 613. 0.00000 4.81636 339. RY (21) S 4 614. 0.00000 6.56282 340. RY (22) S 4 615. 0.00000 3.58795 341. RY (23) S 4 616. 0.00000 3.78003 342. RY (24) S 4 617. 0.00000 6.00885 343. RY (25) S 4 618. 0.00000 3.70782 344. RY (26) S 4 619. 0.00000 3.83897 345. RY (27) S 4 620. 0.00000 4.54135 346. RY (28) S 4 621. 0.00000 5.63262 347. RY (29) S 4 622. 0.00000 3.53858 348. RY (30) S 4 623. 0.00000 4.72751 349. RY (31) S 4 624. 0.00000 4.25919 350. RY (32) S 4 625. 0.00000 4.66860 351. RY (33) S 4 626. 0.00000 5.76878 352. RY (34) S 4 627. 0.00000 6.01961 353. RY (35) S 4 628. 0.00000 4.25510 354. RY (36) S 4 629. 0.00000 4.24001 355. RY (37) S 4 630. 0.00000 3.70608 356. RY (38) S 4 631. 0.00000 3.85120 357. RY (39) S 4 632. 0.00000 4.11744 358. RY (40) S 4 633. 0.00000 2.67431 359. RY (41) S 4 634. 0.00000 2.25719 360. RY (42) S 4 635. 0.00000 6.14387 361. RY (43) S 4 636. 0.00000 3.59886 362. RY (44) S 4 637. 0.00000 3.11772 363. RY (45) S 4 638. 0.00000 6.49788 364. RY (46) S 4 639. 0.00000 3.05828 365. RY (47) S 4 640. 0.00000 3.77187 366. RY (48) S 4 641. 0.00000 3.12391 367. RY (49) S 4 642. 0.00000 70.98567 368. RY (50) S 4 643. 0.00000 372.56915 369. RY (51) S 4 644. 0.00000 47.44026 370. RY (52) S 4 645. 0.00000 37.36338 371. RY (53) S 4 646. 0.00000 17.68739 372. RY (54) S 4 647. 0.00000 10.50556 373. RY (55) S 4 648. 0.00000 18.95116 374. RY (56) S 4 649. 0.00000 13.45171 375. RY (57) S 4 650. 0.00000 20.74476 376. RY (58) S 4 651. 0.00000 9.19325 377. RY (59) S 4 652. 0.00000 10.04557 378. RY (60) S 4 653. 0.00000 9.86887 379. RY (61) S 4 654. 0.00000 4.76454 396. RY (17) S 5 655. 0.00000 4.86145 397. RY (18) S 5 656. 0.00000 5.69539 398. RY (19) S 5 657. 0.00000 4.20305 399. RY (20) S 5 658. 0.00000 4.22939 400. RY (21) S 5 659. 0.00000 4.12034 401. RY (22) S 5 660. 0.00000 4.41650 402. RY (23) S 5 661. 0.00000 4.97801 403. RY (24) S 5 662. 0.00000 3.62817 404. RY (25) S 5 663. 0.00000 4.46044 405. RY (26) S 5 664. 0.00000 4.65434 406. RY (27) S 5 665. 0.00000 3.90002 407. RY (28) S 5 666. 0.00000 5.38241 408. RY (29) S 5 667. 0.00000 4.32023 409. RY (30) S 5 668. 0.00000 4.55066 410. RY (31) S 5 669. 0.00000 3.64827 411. RY (32) S 5 670. 0.00000 3.36189 412. RY (33) S 5 671. 0.00000 4.82670 413. RY (34) S 5 672. 0.00000 4.50843 414. RY (35) S 5 673. 0.00000 5.51080 415. RY (36) S 5 674. 0.00000 3.14097 416. RY (37) S 5 675. 0.00000 3.70441 417. RY (38) S 5 676. 0.00000 2.96984 418. RY (39) S 5 677. 0.00000 4.42843 419. RY (40) S 5 678. 0.00000 4.62884 420. RY (41) S 5 679. 0.00000 4.92888 421. RY (42) S 5 680. 0.00000 3.07874 422. RY (43) S 5 681. 0.00000 4.02854 423. RY (44) S 5 682. 0.00000 2.77386 424. RY (45) S 5 683. 0.00000 3.39688 425. RY (46) S 5 684. 0.00000 1.81107 426. RY (47) S 5 685. 0.00000 71.62674 427. RY (48) S 5 686. 0.00000 321.96137 428. RY (49) S 5 687. 0.00000 30.30712 429. RY (50) S 5 688. 0.00000 24.57200 430. RY (51) S 5 689. 0.00000 43.82991 431. RY (52) S 5 690. 0.00000 92.82033 432. RY (53) S 5 691. 0.00000 15.94594 433. RY (54) S 5 692. 0.00000 18.33998 434. RY (55) S 5 693. 0.00000 6.50232 435. RY (56) S 5 694. 0.00000 5.00425 436. RY (57) S 5 695. 0.00000 7.86431 437. RY (58) S 5 696. 0.00000 4.64393 438. RY (59) S 5 697. 0.00000 8.18795 439. RY (60) S 5 698. 0.00000 5.40074 440. RY (61) S 5 699. 0.00000 4.35001 461. RY (21) S 6 700. 0.00000 5.94913 462. RY (22) S 6 701. 0.00000 5.01261 463. RY (23) S 6 702. 0.00000 4.64604 464. RY (24) S 6 703. 0.00000 5.29517 465. RY (25) S 6 704. 0.00000 4.63236 466. RY (26) S 6 705. 0.00000 4.97354 467. RY (27) S 6 706. 0.00000 4.26611 468. RY (28) S 6 707. 0.00000 4.92955 469. RY (29) S 6 708. 0.00000 4.85801 470. RY (30) S 6 709. 0.00000 3.91850 471. RY (31) S 6 710. 0.00000 4.73871 472. RY (32) S 6 711. 0.00000 4.84446 473. RY (33) S 6 712. 0.00000 5.01740 474. RY (34) S 6 713. 0.00000 4.13383 475. RY (35) S 6 714. 0.00000 4.46936 476. RY (36) S 6 715. 0.00000 3.43563 477. RY (37) S 6 716. 0.00000 3.91016 478. RY (38) S 6 717. 0.00000 3.04080 479. RY (39) S 6 718. 0.00000 3.45083 480. RY (40) S 6 719. 0.00000 3.62092 481. RY (41) S 6 720. 0.00000 2.58329 482. RY (42) S 6 721. 0.00000 2.84982 483. RY (43) S 6 722. 0.00000 3.20987 516. RY (15) C 7 723. 0.00000 6.56101 517. RY (16) C 7 724. 0.00000 104.28770 484. RY (44) S 6 725. 0.00000 355.98745 485. RY (45) S 6 726. 0.00000 47.84359 486. RY (46) S 6 727. 0.00000 26.35031 487. RY (47) S 6 728. 0.00000 27.67882 488. RY (48) S 6 729. 0.00000 18.90612 489. RY (49) S 6 730. 0.00000 11.06961 490. RY (50) S 6 731. 0.00000 16.56997 491. RY (51) S 6 732. 0.00000 10.54559 492. RY (52) S 6 733. 0.00000 13.63083 493. RY (53) S 6 734. 0.00000 5.21732 494. RY (54) S 6 735. 0.00000 5.76814 495. RY (55) S 6 736. 0.00000 5.46237 496. RY (56) S 6 737. 0.00000 6.30174 497. RY (57) S 6 738. 0.00000 8.20395 498. RY (58) S 6 739. 0.00000 4.92113 499. RY (59) S 6 740. 0.00000 8.07142 500. RY (60) S 6 741. 0.00000 5.38094 501. RY (61) S 6 742. 0.00000 8.05862 518. RY (17) C 7 743. 0.00000 6.49310 519. RY (18) C 7 744. 0.00000 7.15687 520. RY (19) C 7 745. 0.00000 7.30832 521. RY (20) C 7 746. 0.00000 7.85300 522. RY (21) C 7 747. 0.00000 7.07205 523. RY (22) C 7 748. 0.00000 6.70532 524. RY (23) C 7 749. 0.00000 7.88083 525. RY (24) C 7 750. 0.00000 6.05060 526. RY (25) C 7 751. 0.00000 6.69641 527. RY (26) C 7 752. 0.00000 7.52688 528. RY (27) C 7 753. 0.00000 6.95832 529. RY (28) C 7 754. 0.00000 7.03148 530. RY (29) C 7 755. 0.00000 7.33683 531. RY (30) C 7 756. 0.00000 6.33858 532. RY (31) C 7 757. 0.00000 5.42844 533. RY (32) C 7 758. 0.00000 4.60997 534. RY (33) C 7 759. 0.00000 5.49662 535. RY (34) C 7 760. 0.00000 4.64559 536. RY (35) C 7 761. 0.00000 5.06063 537. RY (36) C 7 762. 0.00000 4.64119 538. RY (37) C 7 763. 0.00000 5.24545 539. RY (38) C 7 764. 0.00000 3.53255 540. RY (39) C 7 765. 0.00000 3.02089 541. RY (40) C 7 766. 0.00000 2.95538 542. RY (41) C 7 767. 0.00000 3.52641 567. RY (14) C 8 768. 0.00000 6.69587 568. RY (15) C 8 769. 0.00000 3.27756 569. RY (16) C 8 770. 0.00000 3.26660 618. RY (13) C 9 771. 0.00001 2.75831 619. RY (14) C 9 772. 0.00001 4.20252 680. RY (23) P 10 773. 0.00000 3.54288 681. RY (24) P 10 774. 0.00001 4.84835 736. RY (18) C 11 775. 0.00001 5.43317 788. RY (18) C 12 776. 0.00001 3.32764 840. RY (18) C 13 777. 0.00000 4.04917 620. RY (15) C 9 778. 0.00000 5.62249 621. RY (16) C 9 779. 0.00000 116.68886 543. RY (42) C 7 780. 0.00000 7.67775 544. RY (43) C 7 781. 0.00000 7.24873 545. RY (44) C 7 782. 0.00000 14.62646 546. RY (45) C 7 783. 0.00000 7.05994 547. RY (46) C 7 784. 0.00000 7.75262 548. RY (47) C 7 785. 0.00000 7.05346 549. RY (48) C 7 786. 0.00000 8.05080 550. RY (49) C 7 787. 0.00000 7.46166 551. RY (50) C 7 788. 0.00000 8.35982 552. RY (51) C 7 789. 0.00000 6.81456 553. RY (52) C 7 790. 0.00000 7.53437 570. RY (17) C 8 791. 0.00000 6.92919 571. RY (18) C 8 792. 0.00000 7.45834 572. RY (19) C 8 793. 0.00000 7.60036 573. RY (20) C 8 794. 0.00000 8.36001 574. RY (21) C 8 795. 0.00000 8.44284 575. RY (22) C 8 796. 0.00000 6.88299 576. RY (23) C 8 797. 0.00000 6.98758 577. RY (24) C 8 798. 0.00000 6.38037 578. RY (25) C 8 799. 0.00000 6.90985 579. RY (26) C 8 800. 0.00000 6.25326 580. RY (27) C 8 801. 0.00000 6.34113 581. RY (28) C 8 802. 0.00000 6.40014 582. RY (29) C 8 803. 0.00000 6.81460 583. RY (30) C 8 804. 0.00000 5.78904 584. RY (31) C 8 805. 0.00000 4.99828 585. RY (32) C 8 806. 0.00000 5.37575 586. RY (33) C 8 807. 0.00000 4.94033 587. RY (34) C 8 808. 0.00000 6.08144 588. RY (35) C 8 809. 0.00000 5.57285 589. RY (36) C 8 810. 0.00000 3.60911 590. RY (37) C 8 811. 0.00000 4.04852 591. RY (38) C 8 812. 0.00000 4.05110 592. 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RY (16) H 17 1111. 0.00000 6.19006 1024. RY (17) H 17 1112. 0.00000 6.67999 1025. RY (18) H 17 1113. 0.00000 6.07470 1026. RY (19) H 17 1114. 0.00000 6.77269 1027. RY (20) H 17 1115. 0.00000 5.41910 1028. RY (21) H 17 1116. 0.00000 6.19267 1029. RY (22) H 17 1117. 0.00000 5.38366 1030. RY (23) H 17 1118. 0.00000 9.88791 1031. RY (24) H 17 1119. 0.00000 8.51186 1032. RY (25) H 17 1120. 0.00000 8.30669 1033. RY (26) H 17 1121. 0.00000 8.82038 1034. RY (27) H 17 1122. 0.00000 7.52470 1035. RY (28) H 17 1123. 0.00000 8.95071 1036. RY (29) H 17 1124. 0.00000 7.65949 1046. RY (10) H 18 1125. 0.00000 7.40394 1047. RY (11) H 18 1126. 0.00000 7.43931 1048. RY (12) H 18 1127. 0.00000 8.16912 1049. RY (13) H 18 1128. 0.00000 6.97659 1050. RY (14) H 18 1129. 0.00000 6.65265 1051. RY (15) H 18 1130. 0.00000 6.54655 1052. RY (16) H 18 1131. 0.00000 6.81576 1053. RY (17) H 18 1132. 0.00000 5.89004 1054. RY (18) H 18 1133. 0.00000 4.32813 1055. RY (19) H 18 1134. 0.00000 6.12593 1056. RY (20) H 18 1135. 0.00000 8.54044 1057. RY (21) H 18 1136. 0.00000 5.95915 1058. RY (22) H 18 1137. 0.00000 4.24102 1059. RY (23) H 18 1138. 0.00000 3.97584 1073. RY ( 8) H 19 1139. 0.00000 5.18636 1074. RY ( 9) H 19 1140. 0.00000 4.57953 1102. RY ( 8) H 20 1141. 0.00000 5.75611 1131. RY ( 8) H 21 1142. 0.00000 9.84683 1060. RY (24) H 18 1143. 0.00000 8.38121 1061. RY (25) H 18 1144. 0.00000 9.14317 1062. RY (26) H 18 1145. 0.00000 7.45445 1063. RY (27) H 18 1146. 0.00000 7.46766 1064. RY (28) H 18 1147. 0.00000 8.44763 1065. RY (29) H 18 1148. 0.00000 7.20365 1075. RY (10) H 19 1149. 0.00000 7.49351 1076. RY (11) H 19 1150. 0.00000 7.95080 1077. RY (12) H 19 1151. 0.00000 8.05313 1078. RY (13) H 19 1152. 0.00000 7.42484 1079. RY (14) H 19 1153. 0.00000 6.90785 1080. RY (15) H 19 1154. 0.00000 7.26917 1081. RY (16) H 19 1155. 0.00000 6.84632 1082. RY (17) H 19 1156. 0.00000 6.06159 1083. RY (18) H 19 1157. 0.00000 7.01737 1084. RY (19) H 19 1158. 0.00000 4.82604 1085. RY (20) H 19 1159. 0.00000 5.83268 1086. RY (21) H 19 1160. 0.00000 7.58351 1087. RY (22) H 19 1161. 0.00000 5.62724 1088. RY (23) H 19 1162. 0.00000 6.83200 1089. RY (24) H 19 1163. 0.00000 8.89977 1090. RY (25) H 19 1164. 0.00000 8.90440 1091. RY (26) H 19 1165. 0.00000 8.60773 1092. RY (27) H 19 1166. 0.00000 8.30141 1093. RY (28) H 19 1167. 0.00000 8.16431 1094. RY (29) H 19 1168. 0.00000 7.08463 1103. RY ( 9) H 20 1169. 0.00000 7.03402 1104. RY (10) H 20 1170. 0.00000 8.13580 1105. RY (11) H 20 1171. 0.00000 6.71045 1106. RY (12) H 20 1172. 0.00000 5.78758 1107. RY (13) H 20 1173. 0.00000 6.35750 1108. RY (14) H 20 1174. 0.00000 5.83518 1109. RY (15) H 20 1175. 0.00000 7.01831 1110. RY (16) H 20 1176. 0.00000 6.08825 1111. RY (17) H 20 1177. 0.00000 6.69908 1112. RY (18) H 20 1178. 0.00000 4.61436 1113. RY (19) H 20 1179. 0.00000 7.71315 1114. RY (20) H 20 1180. 0.00000 6.53027 1115. RY (21) H 20 1181. 0.00000 5.67127 1116. RY (22) H 20 1182. 0.00000 4.47726 1132. RY ( 9) H 21 1183. 0.00000 8.88425 1117. RY (23) H 20 1184. 0.00000 9.03178 1118. RY (24) H 20 1185. 0.00000 9.49310 1119. RY (25) H 20 1186. 0.00000 7.80417 1120. RY (26) H 20 1187. 0.00000 7.94426 1121. RY (27) H 20 1188. 0.00000 8.38541 1122. RY (28) H 20 1189. 0.00000 7.72846 1123. RY (29) H 20 1190. 0.00000 8.24882 1133. RY (10) H 21 1191. 0.00000 8.31512 1134. RY (11) H 21 1192. 0.00000 6.75704 1135. RY (12) H 21 1193. 0.00000 7.80461 1136. RY (13) H 21 1194. 0.00000 6.83508 1137. RY (14) H 21 1195. 0.00000 6.22675 1138. RY (15) H 21 1196. 0.00000 6.22261 1139. RY (16) H 21 1197. 0.00000 6.13713 1140. RY (17) H 21 1198. 0.00000 7.34990 1141. RY (18) H 21 1199. 0.00000 4.39945 1142. RY (19) H 21 1200. 0.00000 9.08329 1143. RY (20) H 21 1201. 0.00000 5.15895 1144. RY (21) H 21 1202. 0.00000 6.82118 1145. RY (22) H 21 1203. 0.00000 5.25087 1146. RY (23) H 21 1204. 0.00000 5.55082 1159. RY ( 7) H 22 1205. 0.00000 3.84026 1160. RY ( 8) H 22 1206. 0.00000 3.81536 1161. RY ( 9) H 22 1207. 0.00000 4.79855 1189. RY ( 8) H 23 1208. 0.00000 5.39003 1219. RY ( 9) H 24 1209. 0.00000 3.43065 1247. RY ( 8) H 25 1210. 0.00000 4.49916 1248. RY ( 9) H 25 1211. 0.00000 6.15103 1249. RY (10) H 25 1212. 0.00001 4.67354 1250. RY (11) H 25 1213. 0.00000 5.35182 1276. RY ( 8) H 26 1214. 0.00000 3.39946 1277. RY ( 9) H 26 1215. 0.00001 4.65512 1278. RY (10) H 26 1216. 0.00001 5.76191 1279. RY (11) H 26 1217. 0.00001 5.25789 1305. RY ( 8) H 27 1218. 0.00001 3.94735 1306. RY ( 9) H 27 1219. 0.00000 5.49808 1307. RY (10) H 27 1220. 0.00001 5.40280 1334. RY ( 8) H 28 1221. 0.00001 4.89900 1335. RY ( 9) H 28 1222. 0.00001 5.56878 1364. RY ( 9) H 29 1223. 0.00000 9.05250 1147. RY (24) H 21 1224. 0.00000 8.63559 1148. RY (25) H 21 1225. 0.00000 9.50168 1149. RY (26) H 21 1226. 0.00000 7.28473 1150. RY (27) H 21 1227. 0.00000 8.20553 1151. RY (28) H 21 1228. 0.00000 7.38424 1152. RY (29) H 21 1229. 0.00000 8.43979 1162. RY (10) H 22 1230. 0.00000 7.43899 1163. RY (11) H 22 1231. 0.00000 8.06103 1164. RY (12) H 22 1232. 0.00000 8.28937 1165. RY (13) H 22 1233. 0.00000 6.76847 1166. RY (14) H 22 1234. 0.00000 5.96641 1167. RY (15) H 22 1235. 0.00000 7.35306 1168. RY (16) H 22 1236. 0.00000 6.66954 1169. RY (17) H 22 1237. 0.00000 7.20325 1170. RY (18) H 22 1238. 0.00000 7.02719 1171. RY (19) H 22 1239. 0.00000 4.93289 1172. RY (20) H 22 1240. 0.00000 6.70742 1173. RY (21) H 22 1241. 0.00000 6.12542 1174. RY (22) H 22 1242. 0.00000 5.67139 1175. RY (23) H 22 1243. 0.00000 6.79497 1176. RY (24) H 22 1244. 0.00000 9.71953 1177. RY (25) H 22 1245. 0.00000 8.75268 1178. RY (26) H 22 1246. 0.00000 7.99412 1179. RY (27) H 22 1247. 0.00000 8.67494 1180. RY (28) H 22 1248. 0.00000 7.50045 1181. RY (29) H 22 1249. 0.00000 7.86894 1190. RY ( 9) H 23 1250. 0.00000 7.15016 1191. RY (10) H 23 1251. 0.00000 8.45005 1192. RY (11) H 23 1252. 0.00000 6.92120 1193. RY (12) H 23 1253. 0.00000 6.91625 1194. RY (13) H 23 1254. 0.00000 5.84026 1195. RY (14) H 23 1255. 0.00000 6.40321 1196. RY (15) H 23 1256. 0.00000 5.57060 1197. RY (16) H 23 1257. 0.00000 6.52358 1198. RY (17) H 23 1258. 0.00000 6.82400 1199. RY (18) H 23 1259. 0.00000 5.73862 1200. RY (19) H 23 1260. 0.00000 5.38383 1201. RY (20) H 23 1261. 0.00000 7.34628 1202. RY (21) H 23 1262. 0.00000 6.82840 1203. RY (22) H 23 1263. 0.00000 5.07679 1204. RY (23) H 23 1264. 0.00000 9.66112 1205. RY (24) H 23 1265. 0.00000 8.19387 1206. RY (25) H 23 1266. 0.00000 8.72053 1207. RY (26) H 23 1267. 0.00000 8.21778 1208. RY (27) H 23 1268. 0.00000 8.49014 1209. RY (28) H 23 1269. 0.00000 8.23925 1210. RY (29) H 23 1270. 0.00000 7.59472 1220. RY (10) H 24 1271. 0.00000 8.04697 1221. RY (11) H 24 1272. 0.00000 7.78119 1222. RY (12) H 24 1273. 0.00000 7.49976 1223. RY (13) H 24 1274. 0.00000 6.27043 1224. RY (14) H 24 1275. 0.00000 6.79793 1225. RY (15) H 24 1276. 0.00000 6.49789 1226. RY (16) H 24 1277. 0.00000 6.41035 1227. RY (17) H 24 1278. 0.00000 8.44746 1228. RY (18) H 24 1279. 0.00000 4.39369 1229. RY (19) H 24 1280. 0.00000 5.68983 1230. RY (20) H 24 1281. 0.00000 5.54045 1231. RY (21) H 24 1282. 0.00000 5.56633 1232. RY (22) H 24 1283. 0.00000 9.53331 1233. RY (23) H 24 1284. 0.00000 9.26349 1234. RY (24) H 24 1285. 0.00000 9.30365 1235. RY (25) H 24 1286. 0.00000 7.65006 1236. RY (26) H 24 1287. 0.00000 7.41906 1237. RY (27) H 24 1288. 0.00000 7.14796 1238. RY (28) H 24 1289. 0.00000 8.20212 1239. RY (29) H 24 1290. 0.00000 6.93305 1251. RY (12) H 25 1291. 0.00000 7.61552 1252. RY (13) H 25 1292. 0.00000 7.81881 1253. RY (14) H 25 1293. 0.00000 7.34137 1254. RY (15) H 25 1294. 0.00000 7.18264 1255. RY (16) H 25 1295. 0.00000 7.00462 1256. RY (17) H 25 1296. 0.00000 7.79664 1257. RY (18) H 25 1297. 0.00000 6.68230 1258. RY (19) H 25 1298. 0.00000 6.36570 1259. RY (20) H 25 1299. 0.00000 9.30708 1260. RY (21) H 25 1300. 0.00000 5.60549 1261. RY (22) H 25 1301. 0.00000 9.09293 1262. RY (23) H 25 1302. 0.00000 8.83767 1263. RY (24) H 25 1303. 0.00000 9.52335 1264. RY (25) H 25 1304. 0.00000 7.70200 1265. RY (26) H 25 1305. 0.00000 9.07857 1266. RY (27) H 25 1306. 0.00000 7.30450 1267. RY (28) H 25 1307. 0.00000 7.96119 1268. RY (29) H 25 1308. 0.00000 7.55123 1280. RY (12) H 26 1309. 0.00000 7.62415 1281. RY (13) H 26 1310. 0.00000 7.28596 1282. RY (14) H 26 1311. 0.00000 7.06305 1283. RY (15) H 26 1312. 0.00000 7.09721 1284. RY (16) H 26 1313. 0.00000 7.04071 1285. RY (17) H 26 1314. 0.00000 6.47899 1286. RY (18) H 26 1315. 0.00000 9.80570 1287. RY (19) H 26 1316. 0.00000 5.40342 1288. RY (20) H 26 1317. 0.00000 6.78810 1289. RY (21) H 26 1318. 0.00000 6.04847 1290. RY (22) H 26 1319. 0.00000 6.29134 1308. RY (11) H 27 1320. 0.00000 4.57849 1309. RY (12) H 27 1321. 0.00000 4.22650 1336. RY (10) H 28 1322. 0.00000 4.64330 1337. RY (11) H 28 1323. 0.00000 4.86016 1365. RY (10) H 29 1324. 0.00000 3.96800 1366. RY (11) H 29 1325. 0.00000 9.12825 1291. RY (23) H 26 1326. 0.00000 8.48560 1292. RY (24) H 26 1327. 0.00000 9.05433 1293. RY (25) H 26 1328. 0.00000 7.87561 1294. RY (26) H 26 1329. 0.00000 8.69410 1295. RY (27) H 26 1330. 0.00000 7.94368 1296. RY (28) H 26 1331. 0.00000 8.21786 1297. RY (29) H 26 1332. 0.00000 7.45515 1310. RY (13) H 27 1333. 0.00000 7.19383 1311. RY (14) H 27 1334. 0.00000 7.67192 1312. RY (15) H 27 1335. 0.00000 6.81962 1313. RY (16) H 27 1336. 0.00000 7.09789 1314. RY (17) H 27 1337. 0.00000 8.04826 1315. RY (18) H 27 1338. 0.00000 6.51891 1316. RY (19) H 27 1339. 0.00000 6.38888 1317. RY (20) H 27 1340. 0.00000 8.84290 1318. RY (21) H 27 1341. 0.00000 5.39757 1319. RY (22) H 27 1342. 0.00000 6.58706 1338. RY (12) H 28 1343. 0.00000 5.10528 1339. RY (13) H 28 1344. 0.00000 6.89760 1340. RY (14) H 28 1345. 0.00000 5.77328 1367. RY (12) H 29 1346. 0.00000 9.47487 1320. RY (23) H 27 1347. 0.00000 9.18779 1321. RY (24) H 27 1348. 0.00000 9.63546 1322. RY (25) H 27 1349. 0.00000 8.31528 1323. RY (26) H 27 1350. 0.00000 8.70183 1324. RY (27) H 27 1351. 0.00000 7.11568 1325. RY (28) H 27 1352. 0.00000 7.64439 1326. RY (29) H 27 1353. 0.00000 7.81784 1341. RY (15) H 28 1354. 0.00000 7.75865 1342. RY (16) H 28 1355. 0.00000 7.17773 1343. RY (17) H 28 1356. 0.00000 7.34792 1344. RY (18) H 28 1357. 0.00000 7.10138 1345. RY (19) H 28 1358. 0.00000 7.03250 1346. RY (20) H 28 1359. 0.00000 6.50121 1347. RY (21) H 28 1360. 0.00000 9.46241 1348. RY (22) H 28 1361. 0.00000 8.82733 1349. RY (23) H 28 1362. 0.00000 8.89676 1350. RY (24) H 28 1363. 0.00000 9.02860 1351. RY (25) H 28 1364. 0.00000 8.09881 1352. RY (26) H 28 1365. 0.00000 8.62399 1353. RY (27) H 28 1366. 0.00000 7.62513 1354. RY (28) H 28 1367. 0.00000 7.96208 1355. RY (29) H 28 1368. 0.00000 7.87410 1368. RY (13) H 29 1369. 0.00000 7.08348 1369. RY (14) H 29 1370. 0.00000 7.64034 1370. RY (15) H 29 1371. 0.00000 7.17927 1371. RY (16) H 29 1372. 0.00000 8.12107 1372. RY (17) H 29 1373. 0.00000 7.37702 1373. RY (18) H 29 1374. 0.00000 6.83159 1374. RY (19) H 29 1375. 0.00000 7.59803 1375. RY (20) H 29 1376. 0.00000 8.85479 1376. RY (21) H 29 1377. 0.00000 7.13985 1377. RY (22) H 29 1378. 0.00000 4.36771 1378. RY (23) H 29 1379. 0.00000 9.05233 1379. RY (24) H 29 1380. 0.00000 9.22099 1380. RY (25) H 29 1381. 0.00000 8.64819 1381. RY (26) H 29 1382. 0.00000 7.50553 1382. RY (27) H 29 1383. 0.00000 7.68158 1383. RY (28) H 29 1384. 0.00000 8.80852 1384. RY (29) H 29 Beta orbitals: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 1.00000 -87.19372 5. CR ( 1) S 2 2. 1.00000 -9.37629 6. CR ( 2) S 2 3. 1.00000 -87.72951 10. CR ( 1) S 3 4. 1.00000 -87.99390 15. CR ( 1) S 4 5. 1.00000 -87.72005 20. CR ( 1) S 5 6. 1.00000 -87.16519 25. CR ( 1) S 6 7. 1.00000 -5.87683 7. CR ( 3) S 2 8. 1.00000 -8.89642 11. CR ( 2) S 3 9. 1.00000 -5.86874 8. CR ( 4) S 2 10. 1.00000 -5.86772 9. CR ( 5) S 2 11. 1.00000 -8.63143 16. CR ( 2) S 4 12. 1.00000 -8.90640 21. CR ( 2) S 5 13. 1.00000 -9.40688 26. CR ( 2) S 6 14. 1.00000 -72.78063 33. CR ( 1) P 10 15. 1.00000 -10.68411 34. CR ( 2) P 10 16. 1.00000 -5.90112 12. CR ( 3) S 3 17. 1.00000 -5.89509 13. CR ( 4) S 3 18. 1.00000 -5.89859 14. CR ( 5) S 3 19. 1.00000 -5.89369 17. CR ( 3) S 4 20. 1.00000 -5.89681 18. CR ( 4) S 4 21. 1.00000 -5.90373 19. CR ( 5) S 4 22. 1.00000 -5.90163 22. CR ( 3) S 5 23. 1.00000 -5.89410 23. CR ( 4) S 5 24. 1.00000 -5.89988 24. CR ( 5) S 5 25. 1.00000 -5.87783 27. CR ( 3) S 6 26. 1.00000 -5.86993 28. CR ( 4) S 6 27. 1.00000 -5.86863 29. CR ( 5) S 6 28. 1.00000 -4.70738 35. CR ( 3) P 10 29. 1.00000 -4.70919 36. CR ( 4) P 10 30. 1.00000 -4.71044 37. CR ( 5) P 10 31. 0.99999 -10.19389 30. CR ( 1) C 7 32. 0.99999 -10.18990 31. CR ( 1) C 8 33. 0.99999 -10.19906 32. CR ( 1) C 9 34. 0.99999 -10.20899 38. CR ( 1) C 11 35. 0.99999 -10.21695 39. CR ( 1) C 12 36. 0.99999 -10.21799 40. CR ( 1) C 13 37. 0.99999 -10.21502 41. CR ( 1) C 14 38. 0.99999 -10.21614 42. CR ( 1) C 15 39. 0.99997 -2.79256 1. CR ( 1)Tc 1 40. 0.99991 -1.70059 2. CR ( 2)Tc 1 41. 0.99990 -1.72008 3. CR ( 3)Tc 1 42. 0.99990 -1.72225 4. CR ( 4)Tc 1 43. 0.99599 -0.51290 50. LP ( 1) S 4 44. 0.99563 -0.51911 48. LP ( 1) S 3 45. 0.99547 -0.51887 52. LP ( 1) S 5 46. 0.99405 -0.46867 68. BD ( 1) C 8- H 19 47. 0.99403 -0.47597 72. BD ( 1) C 9- H 22 48. 0.99396 -0.47198 64. BD ( 1) C 7- H 16 49. 0.99320 -0.47403 73. BD ( 1) C 9- H 23 50. 0.99313 -0.50993 60. BD ( 1) S 3- S 4 51. 0.99312 -0.50899 61. BD ( 1) S 4- S 5 52. 0.99300 -0.46986 65. BD ( 1) C 7- H 17 53. 0.99268 -0.47568 74. BD ( 1) C 9- H 24 54. 0.99241 -0.46181 69. BD ( 1) C 8- H 20 55. 0.99185 -0.46489 70. BD ( 1) C 8- H 21 56. 0.99178 -0.46841 66. BD ( 1) C 7- H 18 57. 0.99109 -0.49151 81. BD ( 1) C 13- H 27 58. 0.99093 -0.48227 77. BD ( 1) C 11- H 25 59. 0.99086 -0.48504 84. BD ( 1) C 15- H 28 60. 0.99073 -0.48559 79. BD ( 1) C 12- H 26 61. 0.99072 -0.48907 83. BD ( 1) C 14- H 29 62. 0.99055 -0.49481 59. BD ( 1) S 2- S 3 63. 0.99034 -0.49746 62. BD ( 1) S 5- S 6 64. 0.99002 -0.47647 67. BD ( 1) C 8- P 10 65. 0.98986 -0.48050 71. BD ( 1) C 9- P 10 66. 0.98964 -0.47727 63. BD ( 1) C 7- P 10 67. 0.98952 -0.47112 54. LP ( 1) S 6 68. 0.98943 -0.47088 45. LP ( 1) S 2 69. 0.98715 -0.56319 75. BD ( 1) C 11- C 12 70. 0.98668 -0.56460 76. BD ( 1) C 11- C 15 71. 0.98667 -0.55573 78. BD ( 1) C 12- C 13 72. 0.98663 -0.55595 82. BD ( 1) C 14- C 15 73. 0.98276 -0.53897 80. BD ( 1) C 13- C 14 74. 0.97834 -0.36028 58. BD ( 1)Tc 1- P 10 75. 0.93924 -0.25802 51. LP ( 2) S 4 76. 0.92996 -0.19090 43. LP ( 1)Tc 1 77. 0.91554 -0.32353 85. 3C ( 1)Tc 1- C 12- C 13 78. 0.91496 -0.24697 53. LP ( 2) S 5 79. 0.91473 -0.32130 86. 3C ( 1)Tc 1- C 14- C 15 80. 0.91419 -0.24657 49. LP ( 2) S 3 81. 0.88444 -0.18572 44. LP ( 2)Tc 1 82. 0.83649 -0.22590 55. LP ( 2) S 6 83. 0.83523 -0.22427 46. LP ( 2) S 2 84. 0.70231 -0.22871 56. LP ( 3) S 6 85. 0.70030 -0.22789 47. LP ( 3) S 2 86. 0.51352 -0.12669 57. LP ( 1) C 11 87. 0.34635 0.04779 116. 3Cn( 1)Tc 1- C 14- C 15 88. 0.33936 0.05820 115. 3Cn( 1)Tc 1- C 12- C 13 89. 0.32601 0.63050 87. LV ( 1)Tc 1 90. 0.22062 0.07974 88. BD*( 1)Tc 1- P 10 91. 0.19693 0.05411 118. 3C*( 1)Tc 1- C 14- C 15 92. 0.19577 0.06121 117. 3C*( 1)Tc 1- C 12- C 13 93. 0.06966 0.04013 91. BD*( 1) S 4- S 5 94. 0.06933 0.04108 90. BD*( 1) S 3- S 4 95. 0.05860 0.04674 89. BD*( 1) S 2- S 3 96. 0.05684 0.05065 92. BD*( 1) S 5- S 6 97. 0.03391 0.19396 93. BD*( 1) C 7- P 10 98. 0.03134 0.19506 101. BD*( 1) C 9- P 10 99. 0.03095 0.19774 97. BD*( 1) C 8- P 10 100. 0.01647 0.42074 110. BD*( 1) C 13- C 14 101. 0.01097 0.44236 108. BD*( 1) C 12- C 13 102. 0.01059 0.44680 112. BD*( 1) C 14- C 15 103. 0.00889 0.38882 111. BD*( 1) C 13- H 27 104. 0.00842 0.39443 113. BD*( 1) C 14- H 29 105. 0.00811 0.68870 258. RY ( 1) S 3 106. 0.00802 0.69323 380. RY ( 1) S 5 107. 0.00800 0.75601 319. RY ( 1) S 4 108. 0.00794 0.46096 105. BD*( 1) C 11- C 12 109. 0.00790 2.36622 119. RY ( 1)Tc 1 110. 0.00788 0.46468 106. BD*( 1) C 11- C 15 111. 0.00783 0.40169 114. BD*( 1) C 15- H 28 112. 0.00772 0.40062 109. BD*( 1) C 12- H 26 113. 0.00699 0.41527 107. BD*( 1) C 11- H 25 114. 0.00564 1.59888 658. RY ( 1) P 10 115. 0.00561 0.89945 441. RY ( 1) S 6 116. 0.00546 0.67372 320. RY ( 2) S 4 117. 0.00540 0.89915 197. RY ( 1) S 2 118. 0.00508 0.66597 381. RY ( 2) S 5 119. 0.00502 1.41476 659. RY ( 2) P 10 120. 0.00501 0.66685 259. RY ( 2) S 3 121. 0.00497 0.34817 94. BD*( 1) C 7- H 16 122. 0.00481 0.34643 102. BD*( 1) C 9- H 22 123. 0.00434 0.35053 98. BD*( 1) C 8- H 19 124. 0.00367 2.58877 120. RY ( 2)Tc 1 125. 0.00355 2.69044 121. RY ( 3)Tc 1 126. 0.00312 1.57983 875. RY ( 1) C 14 127. 0.00300 0.35886 96. BD*( 1) C 7- H 18 128. 0.00291 2.11419 719. RY ( 1) C 11 129. 0.00284 1.35147 660. RY ( 3) P 10 130. 0.00274 0.60971 382. RY ( 3) S 5 131. 0.00274 1.51312 823. RY ( 1) C 13 132. 0.00271 1.31816 661. RY ( 4) P 10 133. 0.00271 0.61828 260. RY ( 3) S 3 134. 0.00268 0.34129 104. BD*( 1) C 9- H 24 135. 0.00259 1.89347 662. RY ( 5) P 10 136. 0.00258 0.36006 100. BD*( 1) C 8- H 21 137. 0.00254 0.34953 95. BD*( 1) C 7- H 17 138. 0.00250 0.36083 99. BD*( 1) C 8- H 20 139. 0.00244 0.35036 103. BD*( 1) C 9- H 23 140. 0.00237 1.54861 927. RY ( 1) C 15 141. 0.00236 1.12430 442. RY ( 2) S 6 142. 0.00234 1.09044 198. RY ( 2) S 2 143. 0.00227 1.27765 122. RY ( 4)Tc 1 144. 0.00219 1.47299 771. RY ( 1) C 12 145. 0.00212 1.41800 720. RY ( 2) C 11 146. 0.00199 1.64765 123. RY ( 5)Tc 1 147. 0.00191 1.52381 772. RY ( 2) C 12 148. 0.00190 1.51567 928. RY ( 2) C 15 149. 0.00184 0.71387 321. RY ( 3) S 4 150. 0.00183 3.02767 124. RY ( 6)Tc 1 151. 0.00179 2.12992 721. RY ( 3) C 11 152. 0.00175 1.58086 876. RY ( 2) C 14 153. 0.00174 2.76328 125. RY ( 7)Tc 1 154. 0.00172 1.57221 824. RY ( 2) C 13 155. 0.00170 1.14193 199. RY ( 3) S 2 156. 0.00165 1.33581 663. RY ( 6) P 10 157. 0.00165 0.71508 322. RY ( 4) S 4 158. 0.00163 1.21024 443. RY ( 3) S 6 159. 0.00160 2.60553 929. RY ( 3) C 15 160. 0.00158 2.59881 773. RY ( 3) C 12 161. 0.00149 2.26062 877. RY ( 3) C 14 162. 0.00147 2.20959 126. RY ( 8)Tc 1 163. 0.00144 2.30326 825. RY ( 3) C 13 164. 0.00135 0.99523 444. RY ( 4) S 6 165. 0.00134 0.78247 383. RY ( 4) S 5 166. 0.00133 0.79368 261. RY ( 4) S 3 167. 0.00133 2.39341 554. RY ( 1) C 8 168. 0.00132 1.11201 200. RY ( 4) S 2 169. 0.00131 1.23980 664. RY ( 7) P 10 170. 0.00127 2.66987 502. RY ( 1) C 7 171. 0.00106 2.76821 606. RY ( 1) C 9 172. 0.00106 2.12140 127. RY ( 9)Tc 1 173. 0.00096 2.32903 128. RY (10)Tc 1 174. 0.00087 3.52642 129. RY (11)Tc 1 175. 0.00080 2.34609 665. RY ( 8) P 10 176. 0.00065 3.32330 130. RY (12)Tc 1 177. 0.00057 5.75511 131. RY (13)Tc 1 178. 0.00056 2.91656 445. RY ( 5) S 6 179. 0.00055 1.97297 555. RY ( 2) C 8 180. 0.00054 1.38482 722. RY ( 4) C 11 181. 0.00054 1.91833 607. RY ( 2) C 9 182. 0.00053 3.02843 201. RY ( 5) S 2 183. 0.00052 1.96732 503. RY ( 2) C 7 184. 0.00050 1.60009 878. RY ( 4) C 14 185. 0.00050 1.65231 826. RY ( 4) C 13 186. 0.00049 1.44783 262. RY ( 5) S 3 187. 0.00047 2.76017 930. RY ( 4) C 15 188. 0.00047 2.57640 774. RY ( 4) C 12 189. 0.00045 1.47033 384. RY ( 5) S 5 190. 0.00045 5.18966 132. RY (14)Tc 1 191. 0.00045 2.79749 827. RY ( 5) C 13 192. 0.00044 2.14383 666. RY ( 9) P 10 193. 0.00044 2.87156 879. RY ( 5) C 14 194. 0.00043 2.02795 931. RY ( 5) C 15 195. 0.00043 2.19972 775. RY ( 5) C 12 196. 0.00042 1.45905 1153. RY ( 1) H 22 197. 0.00042 1.32172 1298. RY ( 1) H 27 198. 0.00041 1.57762 1240. RY ( 1) H 25 199. 0.00041 1.32712 979. RY ( 1) H 16 200. 0.00040 1.24162 1327. RY ( 1) H 28 201. 0.00040 0.65808 323. RY ( 5) S 4 202. 0.00040 2.49993 133. RY (15)Tc 1 203. 0.00040 1.16458 1066. RY ( 1) H 19 204. 0.00037 2.09818 134. RY (16)Tc 1 205. 0.00037 2.61168 1095. RY ( 1) H 20 206. 0.00037 1.39593 1269. RY ( 1) H 26 207. 0.00036 1.41981 1356. RY ( 1) H 29 208. 0.00035 2.43055 667. RY (10) P 10 209. 0.00034 2.69411 1124. RY ( 1) H 21 210. 0.00034 2.69636 1154. RY ( 2) H 22 211. 0.00034 2.84070 1067. RY ( 2) H 19 212. 0.00034 2.76168 1182. RY ( 1) H 23 213. 0.00034 2.79207 980. RY ( 2) H 16 214. 0.00034 2.70983 1037. RY ( 1) H 18 215. 0.00033 2.18026 202. RY ( 6) S 2 216. 0.00033 2.84576 1008. RY ( 1) H 17 217. 0.00032 2.35805 446. RY ( 6) S 6 218. 0.00032 2.85667 1211. RY ( 1) H 24 219. 0.00031 2.60109 723. RY ( 5) C 11 220. 0.00030 1.58997 263. RY ( 6) S 3 221. 0.00029 2.53499 135. RY (17)Tc 1 222. 0.00029 1.22862 556. RY ( 3) C 8 223. 0.00029 1.55317 385. RY ( 6) S 5 224. 0.00028 1.78179 203. RY ( 7) S 2 225. 0.00028 3.19334 828. RY ( 6) C 13 226. 0.00027 1.35380 504. RY ( 3) C 7 227. 0.00027 3.34588 880. RY ( 6) C 14 228. 0.00027 3.51434 724. RY ( 6) C 11 229. 0.00027 1.68032 1038. RY ( 2) H 18 230. 0.00027 1.28813 608. RY ( 3) C 9 231. 0.00027 2.89763 1270. RY ( 2) H 26 232. 0.00026 2.96092 1328. RY ( 2) H 28 233. 0.00026 3.70045 776. RY ( 6) C 12 234. 0.00025 2.17196 136. RY (18)Tc 1 235. 0.00025 4.76169 932. RY ( 6) C 15 236. 0.00025 2.97960 1096. RY ( 2) H 20 237. 0.00024 1.87072 447. RY ( 7) S 6 238. 0.00024 2.72609 933. RY ( 7) C 15 239. 0.00024 1.52697 264. RY ( 7) S 3 240. 0.00023 1.52067 386. RY ( 7) S 5 241. 0.00023 2.84856 1241. RY ( 2) H 25 242. 0.00023 3.74535 777. RY ( 7) C 12 243. 0.00023 3.16721 1009. RY ( 2) H 17 244. 0.00023 3.04538 1183. RY ( 2) H 23 245. 0.00023 1.46411 557. RY ( 4) C 8 246. 0.00023 4.06845 725. RY ( 7) C 11 247. 0.00022 2.63827 448. RY ( 8) S 6 248. 0.00022 2.83619 137. RY (19)Tc 1 249. 0.00021 2.87122 668. RY (11) P 10 250. 0.00021 4.68185 829. RY ( 7) C 13 251. 0.00021 2.83964 1329. RY ( 3) H 28 252. 0.00021 3.38657 1357. RY ( 2) H 29 253. 0.00021 2.52518 1242. RY ( 3) H 25 254. 0.00021 2.77650 1271. RY ( 3) H 26 255. 0.00021 2.60622 1299. RY ( 2) H 27 256. 0.00020 4.52590 881. RY ( 7) C 14 257. 0.00020 2.90489 1155. RY ( 3) H 22 258. 0.00020 1.70337 324. RY ( 6) S 4 259. 0.00020 3.36017 1039. RY ( 3) H 18 260. 0.00020 2.96030 1212. RY ( 2) H 24 261. 0.00020 2.97573 204. RY ( 8) S 2 262. 0.00020 3.02266 981. RY ( 3) H 16 263. 0.00019 1.89583 205. RY ( 9) S 2 264. 0.00019 3.35137 1300. RY ( 3) H 27 265. 0.00019 2.85729 1125. RY ( 2) H 21 266. 0.00019 3.06654 1358. RY ( 3) H 29 267. 0.00019 3.18357 1068. RY ( 3) H 19 268. 0.00019 2.17787 449. RY ( 9) S 6 269. 0.00018 1.22716 609. RY ( 4) C 9 270. 0.00017 4.62132 138. RY (20)Tc 1 271. 0.00018 1.49897 505. RY ( 4) C 7 272. 0.00017 2.10050 1097. RY ( 3) H 20 273. 0.00017 2.86229 669. RY (12) P 10 274. 0.00017 1.99290 1010. RY ( 3) H 17 275. 0.00017 2.82287 1126. RY ( 3) H 21 276. 0.00016 1.56228 610. RY ( 5) C 9 277. 0.00016 2.54225 726. RY ( 8) C 11 278. 0.00016 2.09460 1184. RY ( 3) H 23 279. 0.00016 2.65178 1213. RY ( 3) H 24 280. 0.00016 1.71804 1243. RY ( 4) H 25 281. 0.00014 2.80718 778. RY ( 8) C 12 282. 0.00014 2.97909 934. RY ( 8) C 15 283. 0.00014 1.48315 387. RY ( 8) S 5 284. 0.00014 1.62499 265. RY ( 8) S 3 285. 0.00013 3.00504 139. RY (21)Tc 1 286. 0.00013 2.00925 206. RY (10) S 2 287. 0.00013 1.63612 558. RY ( 5) C 8 288. 0.00012 1.92603 450. RY (10) S 6 289. 0.00012 2.98231 140. RY (22)Tc 1 290. 0.00012 1.25125 1098. RY ( 4) H 20 291. 0.00012 3.43026 1359. RY ( 4) H 29 292. 0.00011 1.28748 325. RY ( 7) S 4 293. 0.00011 1.32011 506. RY ( 5) C 7 294. 0.00011 1.68565 611. RY ( 6) C 9 295. 0.00011 3.53100 1301. RY ( 4) H 27 296. 0.00011 1.42255 559. RY ( 6) C 8 297. 0.00011 2.75640 670. RY (13) P 10 298. 0.00011 2.35657 326. RY ( 8) S 4 299. 0.00011 3.03247 1272. RY ( 4) H 26 300. 0.00011 3.02699 1330. RY ( 4) H 28 301. 0.00010 3.42383 141. RY (23)Tc 1 302. 0.00010 1.56921 982. RY ( 4) H 16 303. 0.00010 1.66318 1069. RY ( 4) H 19 304. 0.00010 1.86533 266. RY ( 9) S 3 305. 0.00010 2.99263 830. RY ( 8) C 13 306. 0.00010 3.39442 671. RY (14) P 10 307. 0.00009 2.71124 779. RY ( 9) C 12 308. 0.00009 1.41743 1156. RY ( 4) H 22 309. 0.00009 2.48486 935. RY ( 9) C 15 310. 0.00009 1.91411 388. RY ( 9) S 5 311. 0.00009 3.24313 1244. RY ( 5) H 25 312. 0.00009 1.58320 507. RY ( 6) C 7 313. 0.00008 2.87470 882. RY ( 8) C 14 314. 0.00008 2.75128 672. RY (15) P 10 315. 0.00008 3.33459 142. RY (24)Tc 1 316. 0.00008 1.64682 207. RY (11) S 2 317. 0.00008 1.94869 1302. RY ( 5) H 27 318. 0.00008 1.50500 508. RY ( 7) C 7 319. 0.00007 1.39703 327. RY ( 9) S 4 320. 0.00007 2.50862 727. RY ( 9) C 11 321. 0.00007 1.72805 1040. RY ( 4) H 18 322. 0.00007 2.18932 936. RY (10) C 15 323. 0.00007 1.33594 1127. RY ( 4) H 21 324. 0.00007 1.10248 1214. RY ( 4) H 24 325. 0.00007 2.76987 673. RY (16) P 10 326. 0.00007 1.54840 1185. RY ( 4) H 23 327. 0.00007 2.19882 780. RY (10) C 12 328. 0.00007 1.28518 1011. RY ( 4) H 17 329. 0.00006 2.37456 143. RY (25)Tc 1 330. 0.00006 1.82351 451. RY (11) S 6 331. 0.00006 1.65204 612. RY ( 7) C 9 332. 0.00006 2.58519 728. RY (10) C 11 333. 0.00006 2.15111 1331. RY ( 5) H 28 334. 0.00006 2.73494 883. RY ( 9) C 14 335. 0.00006 1.63089 560. RY ( 7) C 8 336. 0.00006 3.03919 674. RY (17) P 10 337. 0.00006 2.20856 1273. RY ( 5) H 26 338. 0.00006 2.59881 729. RY (11) C 11 339. 0.00006 1.96436 1360. RY ( 5) H 29 340. 0.00005 2.97355 781. RY (11) C 12 341. 0.00005 2.66848 831. RY ( 9) C 13 342. 0.00005 1.68593 267. RY (10) S 3 343. 0.00005 2.62023 144. RY (26)Tc 1 344. 0.00005 1.29993 509. RY ( 8) C 7 345. 0.00005 3.05887 937. RY (11) C 15 346. 0.00005 1.69964 389. RY (10) S 5 347. 0.00004 2.87870 884. RY (10) C 14 348. 0.00004 1.46763 561. RY ( 8) C 8 349. 0.00004 1.07593 613. RY ( 8) C 9 350. 0.00004 2.70833 145. RY (27)Tc 1 351. 0.00004 2.04314 452. RY (12) S 6 352. 0.00004 2.79143 832. RY (10) C 13 353. 0.00004 2.72537 1012. RY ( 5) H 17 354. 0.00004 2.64247 1070. RY ( 5) H 19 355. 0.00004 2.77059 1099. RY ( 5) H 20 356. 0.00004 2.35882 675. RY (18) P 10 357. 0.00004 2.32025 1186. RY ( 5) H 23 358. 0.00003 1.96437 208. RY (12) S 2 359. 0.00003 2.56171 328. RY (10) S 4 360. 0.00003 3.99910 146. RY (28)Tc 1 361. 0.00003 1.68457 453. RY (13) S 6 362. 0.00003 4.19660 938. RY (12) C 15 363. 0.00003 2.42387 1215. RY ( 5) H 24 364. 0.00003 3.93762 782. RY (12) C 12 365. 0.00003 4.26873 783. RY (13) C 12 366. 0.00003 2.59250 329. RY (11) S 4 367. 0.00003 4.58519 676. RY (19) P 10 368. 0.00003 3.26577 833. RY (11) C 13 369. 0.00003 3.02272 885. RY (11) C 14 370. 0.00003 4.15865 939. RY (13) C 15 371. 0.00003 2.65443 983. RY ( 5) H 16 372. 0.00003 2.72633 1157. RY ( 5) H 22 373. 0.00003 3.57419 1245. RY ( 6) H 25 374. 0.00003 3.32774 147. RY (29)Tc 1 375. 0.00003 1.38056 209. RY (13) S 2 376. 0.00003 1.99575 268. RY (11) S 3 377. 0.00002 3.34390 148. RY (30)Tc 1 378. 0.00002 1.49822 210. RY (14) S 2 379. 0.00003 1.98273 390. RY (11) S 5 380. 0.00003 3.70002 730. RY (12) C 11 381. 0.00003 2.49751 1041. RY ( 5) H 18 382. 0.00003 1.35753 454. RY (14) S 6 383. 0.00003 6.90076 1303. RY ( 6) H 27 384. 0.00003 6.85505 1332. RY ( 6) H 28 385. 0.00002 2.25862 562. RY ( 9) C 8 386. 0.00002 3.13134 455. RY (15) S 6 387. 0.00002 2.52936 510. RY ( 9) C 7 388. 0.00002 2.02847 614. RY ( 9) C 9 389. 0.00002 3.84519 731. RY (13) C 11 390. 0.00002 3.61131 886. RY (12) C 14 391. 0.00002 6.84877 1246. RY ( 7) H 25 392. 0.00002 6.85448 1274. RY ( 6) H 26 393. 0.00002 6.87219 1361. RY ( 6) H 29 394. 0.00002 2.60790 211. RY (15) S 2 395. 0.00002 1.79356 391. RY (12) S 5 396. 0.00002 2.54493 511. RY (10) C 7 397. 0.00002 2.85104 615. RY (10) C 9 398. 0.00002 3.43819 834. RY (12) C 13 399. 0.00002 3.62058 149. RY (31)Tc 1 400. 0.00002 1.78798 269. RY (12) S 3 401. 0.00002 2.19352 563. RY (10) C 8 402. 0.00002 3.31585 784. RY (14) C 12 403. 0.00002 3.80796 835. RY (13) C 13 404. 0.00002 3.63701 887. RY (13) C 14 405. 0.00002 3.41366 940. RY (14) C 15 406. 0.00002 2.38156 1128. RY ( 5) H 21 407. 0.00002 2.07603 270. RY (13) S 3 408. 0.00002 1.08605 330. RY (12) S 4 409. 0.00002 4.50000 677. RY (20) P 10 410. 0.00002 4.08378 1100. RY ( 6) H 20 411. 0.00002 2.51231 271. RY (14) S 3 412. 0.00002 2.24023 392. RY (13) S 5 413. 0.00002 1.81773 456. RY (16) S 6 414. 0.00002 2.25663 564. RY (11) C 8 415. 0.00002 4.13669 732. RY (14) C 11 416. 0.00001 3.93806 150. RY (32)Tc 1 417. 0.00001 2.72522 393. RY (14) S 5 418. 0.00001 2.38249 512. RY (11) C 7 419. 0.00001 2.54372 733. RY (15) C 11 420. 0.00001 3.46121 836. RY (14) C 13 421. 0.00001 3.81265 837. RY (15) C 13 422. 0.00001 3.46334 1129. RY ( 6) H 21 423. 0.00001 3.23031 888. RY (14) C 14 424. 0.00001 4.25595 1013. RY ( 6) H 17 425. 0.00001 4.46682 151. RY (33)Tc 1 426. 0.00001 2.38429 457. RY (17) S 6 427. 0.00001 3.65458 678. RY (21) P 10 428. 0.00001 4.17174 734. RY (16) C 11 429. 0.00001 4.43675 785. RY (15) C 12 430. 0.00001 3.88053 889. RY (15) C 14 431. 0.00001 4.02553 1187. RY ( 6) H 23 432. 0.00001 3.91457 1216. RY ( 6) H 24 433. 0.00001 4.08750 1275. RY ( 7) H 26 434. 0.00001 3.85538 1333. RY ( 7) H 28 435. 0.00001 3.53406 786. RY (16) C 12 436. 0.00001 5.12927 152. RY (34)Tc 1 437. 0.00001 1.75342 212. RY (16) S 2 438. 0.00001 2.69882 213. RY (17) S 2 439. 0.00001 3.09426 214. RY (18) S 2 440. 0.00001 2.59781 272. RY (15) S 3 441. 0.00001 1.92785 394. RY (15) S 5 442. 0.00001 1.69518 273. RY (16) S 3 443. 0.00001 2.28079 458. RY (18) S 6 444. 0.00001 1.44718 331. RY (13) S 4 445. 0.00001 1.74208 395. RY (16) S 5 446. 0.00001 2.29325 513. RY (12) C 7 447. 0.00001 2.68466 565. RY (12) C 8 448. 0.00001 3.13825 616. RY (11) C 9 449. 0.00001 4.18141 679. RY (22) P 10 450. 0.00001 4.69283 735. RY (17) C 11 451. 0.00001 3.46117 838. RY (16) C 13 452. 0.00001 4.02565 890. RY (16) C 14 453. 0.00001 4.57280 941. RY (15) C 15 454. 0.00001 3.29990 942. RY (16) C 15 455. 0.00001 4.06163 1042. RY ( 6) H 18 456. 0.00001 4.11620 1217. RY ( 7) H 24 457. 0.00001 3.36560 1304. RY ( 7) H 27 458. 0.00001 3.67322 1014. RY ( 7) H 17 459. 0.00001 3.65496 1101. RY ( 7) H 20 460. 0.00000 3.73246 153. RY (35)Tc 1 461. 0.00000 3.76377 154. RY (36)Tc 1 462. 0.00001 4.27727 155. RY (37)Tc 1 463. 0.00001 3.38617 156. RY (38)Tc 1 464. 0.00000 2.64783 215. RY (19) S 2 465. 0.00000 2.70172 216. RY (20) S 2 466. 0.00001 2.07532 332. RY (14) S 4 467. 0.00001 1.66740 333. RY (15) S 4 468. 0.00001 2.47287 459. RY (19) S 6 469. 0.00001 3.11376 460. RY (20) S 6 470. 0.00001 2.45914 514. RY (13) C 7 471. 0.00001 2.91404 515. RY (14) C 7 472. 0.00001 2.99333 566. RY (13) C 8 473. 0.00001 2.31833 617. RY (12) C 9 474. 0.00001 3.05566 787. RY (17) C 12 475. 0.00001 3.28066 839. RY (17) C 13 476. 0.00001 4.02342 891. RY (17) C 14 477. 0.00001 4.76230 1043. RY ( 7) H 18 478. 0.00001 4.14246 1188. RY ( 7) H 23 479. 0.00001 4.13157 984. RY ( 6) H 16 480. 0.00001 4.86634 1044. RY ( 8) H 18 481. 0.00001 4.01016 1130. RY ( 7) H 21 482. 0.00000 5.34760 157. RY (39)Tc 1 483. 0.00000 5.83849 158. RY (40)Tc 1 484. 0.00000 4.17290 159. RY (41)Tc 1 485. 0.00000 4.26382 160. RY (42)Tc 1 486. 0.00000 3.77370 161. RY (43)Tc 1 487. 0.00000 4.52099 162. RY (44)Tc 1 488. 0.00000 5.17509 163. RY (45)Tc 1 489. 0.00000 11.62806 164. RY (46)Tc 1 490. 0.00000 11.90305 165. RY (47)Tc 1 491. 0.00000 8.01968 166. RY (48)Tc 1 492. 0.00000 8.43563 167. RY (49)Tc 1 493. 0.00000 9.88923 168. RY (50)Tc 1 494. 0.00000 23.52763 169. RY (51)Tc 1 495. 0.00000 13.94179 170. RY (52)Tc 1 496. 0.00000 6.72450 171. RY (53)Tc 1 497. 0.00000 4.29239 172. RY (54)Tc 1 498. 0.00000 5.47020 173. RY (55)Tc 1 499. 0.00000 7.76956 174. RY (56)Tc 1 500. 0.00000 11.23088 175. RY (57)Tc 1 501. 0.00000 4.34456 176. RY (58)Tc 1 502. 0.00000 5.11454 177. RY (59)Tc 1 503. 0.00000 5.11342 178. RY (60)Tc 1 504. 0.00000 3.81629 179. RY (61)Tc 1 505. 0.00000 3.28491 180. RY (62)Tc 1 506. 0.00000 4.36780 181. RY (63)Tc 1 507. 0.00000 5.02120 182. RY (64)Tc 1 508. 0.00000 5.49985 183. RY (65)Tc 1 509. 0.00000 4.61512 184. RY (66)Tc 1 510. 0.00000 4.12620 185. RY (67)Tc 1 511. 0.00000 4.97631 186. RY (68)Tc 1 512. 0.00000 4.42086 187. RY (69)Tc 1 513. 0.00000 3.88282 188. RY (70)Tc 1 514. 0.00000 5.27756 189. RY (71)Tc 1 515. 0.00000 3.30029 190. RY (72)Tc 1 516. 0.00000 4.38511 191. RY (73)Tc 1 517. 0.00000 5.31762 192. RY (74)Tc 1 518. 0.00000 3.97949 193. RY (75)Tc 1 519. 0.00000 3.41292 194. RY (76)Tc 1 520. 0.00000 4.76712 195. RY (77)Tc 1 521. 0.00000 4.25620 196. RY (78)Tc 1 522. 0.00000 6.11595 217. RY (21) S 2 523. 0.00000 6.45176 218. RY (22) S 2 524. 0.00000 5.39910 219. RY (23) S 2 525. 0.00000 5.46306 220. RY (24) S 2 526. 0.00000 5.63821 221. RY (25) S 2 527. 0.00000 4.23564 222. RY (26) S 2 528. 0.00000 6.11249 223. RY (27) S 2 529. 0.00000 4.09923 224. RY (28) S 2 530. 0.00000 4.12670 225. RY (29) S 2 531. 0.00000 4.90902 226. RY (30) S 2 532. 0.00000 4.54038 227. RY (31) S 2 533. 0.00000 4.98607 228. RY (32) S 2 534. 0.00000 3.54518 229. RY (33) S 2 535. 0.00000 5.99691 230. RY (34) S 2 536. 0.00000 4.41651 231. RY (35) S 2 537. 0.00000 4.13804 232. RY (36) S 2 538. 0.00000 3.58158 233. RY (37) S 2 539. 0.00000 3.94934 234. RY (38) S 2 540. 0.00000 3.34878 235. RY (39) S 2 541. 0.00000 3.82295 236. RY (40) S 2 542. 0.00000 4.12307 237. RY (41) S 2 543. 0.00000 3.80130 238. RY (42) S 2 544. 0.00000 3.01149 239. RY (43) S 2 545. 0.00000 2.95520 240. RY (44) S 2 546. 0.00000 2.96186 241. RY (45) S 2 547. 0.00000 74.60083 242. RY (46) S 2 548. 0.00000 405.70504 243. RY (47) S 2 549. 0.00000 27.95745 244. RY (48) S 2 550. 0.00000 35.80738 245. RY (49) S 2 551. 0.00000 12.43955 246. RY (50) S 2 552. 0.00000 22.77191 247. RY (51) S 2 553. 0.00000 15.06498 248. RY (52) S 2 554. 0.00000 11.25160 249. RY (53) S 2 555. 0.00000 14.86867 250. RY (54) S 2 556. 0.00000 7.28629 251. RY (55) S 2 557. 0.00000 7.54741 252. RY (56) S 2 558. 0.00000 11.02601 253. RY (57) S 2 559. 0.00000 5.48485 254. RY (58) S 2 560. 0.00000 5.15841 255. RY (59) S 2 561. 0.00000 7.72049 256. RY (60) S 2 562. 0.00000 4.59465 257. RY (61) S 2 563. 0.00000 5.45276 274. RY (17) S 3 564. 0.00000 6.41635 275. RY (18) S 3 565. 0.00000 4.20184 276. RY (19) S 3 566. 0.00000 5.32819 277. RY (20) S 3 567. 0.00000 4.64830 278. RY (21) S 3 568. 0.00000 3.75906 279. RY (22) S 3 569. 0.00000 4.24063 280. RY (23) S 3 570. 0.00000 5.62697 281. RY (24) S 3 571. 0.00000 5.61026 282. RY (25) S 3 572. 0.00000 3.58138 283. RY (26) S 3 573. 0.00000 3.81326 284. RY (27) S 3 574. 0.00000 4.99753 285. RY (28) S 3 575. 0.00000 5.62588 286. RY (29) S 3 576. 0.00000 4.25064 287. RY (30) S 3 577. 0.00000 4.07090 288. RY (31) S 3 578. 0.00000 3.42584 289. RY (32) S 3 579. 0.00000 3.07481 290. RY (33) S 3 580. 0.00000 4.35414 291. RY (34) S 3 581. 0.00000 4.76362 292. RY (35) S 3 582. 0.00000 4.18212 293. RY (36) S 3 583. 0.00000 5.14350 294. RY (37) S 3 584. 0.00000 4.66184 295. RY (38) S 3 585. 0.00000 3.60020 296. RY (39) S 3 586. 0.00000 3.75486 297. RY (40) S 3 587. 0.00000 5.33758 298. RY (41) S 3 588. 0.00000 2.71202 299. RY (42) S 3 589. 0.00000 2.75880 300. RY (43) S 3 590. 0.00000 3.59347 301. RY (44) S 3 591. 0.00000 3.20185 302. RY (45) S 3 592. 0.00000 2.57775 303. RY (46) S 3 593. 0.00000 2.14920 304. RY (47) S 3 594. 0.00000 1.77682 334. RY (16) S 4 595. 0.00000 62.02563 305. RY (48) S 3 596. 0.00000 284.26534 306. RY (49) S 3 597. 0.00000 69.61481 307. RY (50) S 3 598. 0.00000 49.40303 308. RY (51) S 3 599. 0.00000 62.34510 309. RY (52) S 3 600. 0.00000 55.29490 310. RY (53) S 3 601. 0.00000 27.49725 311. RY (54) S 3 602. 0.00000 6.75476 312. RY (55) S 3 603. 0.00000 6.36079 313. RY (56) S 3 604. 0.00000 6.38498 314. RY (57) S 3 605. 0.00000 4.54833 315. RY (58) S 3 606. 0.00000 6.54597 316. RY (59) S 3 607. 0.00000 8.86245 317. RY (60) S 3 608. 0.00000 4.65123 318. RY (61) S 3 609. 0.00000 5.65443 335. RY (17) S 4 610. 0.00000 5.88793 336. RY (18) S 4 611. 0.00000 6.89106 337. RY (19) S 4 612. 0.00000 4.41727 338. RY (20) S 4 613. 0.00000 4.81636 339. RY (21) S 4 614. 0.00000 6.56282 340. RY (22) S 4 615. 0.00000 3.58795 341. RY (23) S 4 616. 0.00000 3.78003 342. RY (24) S 4 617. 0.00000 6.00885 343. RY (25) S 4 618. 0.00000 3.70782 344. RY (26) S 4 619. 0.00000 3.83897 345. RY (27) S 4 620. 0.00000 4.54135 346. RY (28) S 4 621. 0.00000 5.63262 347. RY (29) S 4 622. 0.00000 3.53858 348. RY (30) S 4 623. 0.00000 4.72751 349. RY (31) S 4 624. 0.00000 4.25919 350. RY (32) S 4 625. 0.00000 4.66860 351. RY (33) S 4 626. 0.00000 5.76878 352. RY (34) S 4 627. 0.00000 6.01961 353. RY (35) S 4 628. 0.00000 4.25510 354. RY (36) S 4 629. 0.00000 4.24001 355. RY (37) S 4 630. 0.00000 3.70608 356. RY (38) S 4 631. 0.00000 3.85120 357. RY (39) S 4 632. 0.00000 4.11744 358. RY (40) S 4 633. 0.00000 2.67431 359. RY (41) S 4 634. 0.00000 2.25719 360. RY (42) S 4 635. 0.00000 6.14387 361. RY (43) S 4 636. 0.00000 3.59886 362. RY (44) S 4 637. 0.00000 3.11772 363. RY (45) S 4 638. 0.00000 6.49788 364. RY (46) S 4 639. 0.00000 3.05828 365. RY (47) S 4 640. 0.00000 3.77187 366. RY (48) S 4 641. 0.00000 3.12391 367. RY (49) S 4 642. 0.00000 70.98567 368. RY (50) S 4 643. 0.00000 372.56915 369. RY (51) S 4 644. 0.00000 47.44026 370. RY (52) S 4 645. 0.00000 37.36338 371. RY (53) S 4 646. 0.00000 17.68739 372. RY (54) S 4 647. 0.00000 10.50556 373. RY (55) S 4 648. 0.00000 18.95116 374. RY (56) S 4 649. 0.00000 13.45171 375. RY (57) S 4 650. 0.00000 20.74476 376. RY (58) S 4 651. 0.00000 9.19325 377. RY (59) S 4 652. 0.00000 10.04557 378. RY (60) S 4 653. 0.00000 9.86887 379. RY (61) S 4 654. 0.00000 4.76454 396. RY (17) S 5 655. 0.00000 4.86145 397. RY (18) S 5 656. 0.00000 5.69539 398. RY (19) S 5 657. 0.00000 4.20305 399. RY (20) S 5 658. 0.00000 4.22939 400. RY (21) S 5 659. 0.00000 4.12034 401. RY (22) S 5 660. 0.00000 4.41650 402. RY (23) S 5 661. 0.00000 4.97801 403. RY (24) S 5 662. 0.00000 3.62817 404. RY (25) S 5 663. 0.00000 4.46044 405. RY (26) S 5 664. 0.00000 4.65434 406. RY (27) S 5 665. 0.00000 3.90002 407. RY (28) S 5 666. 0.00000 5.38241 408. RY (29) S 5 667. 0.00000 4.32023 409. RY (30) S 5 668. 0.00000 4.55066 410. RY (31) S 5 669. 0.00000 3.64827 411. RY (32) S 5 670. 0.00000 3.36189 412. RY (33) S 5 671. 0.00000 4.82670 413. RY (34) S 5 672. 0.00000 4.50843 414. RY (35) S 5 673. 0.00000 5.51080 415. RY (36) S 5 674. 0.00000 3.14097 416. RY (37) S 5 675. 0.00000 3.70441 417. RY (38) S 5 676. 0.00000 2.96984 418. RY (39) S 5 677. 0.00000 4.42843 419. RY (40) S 5 678. 0.00000 4.62884 420. RY (41) S 5 679. 0.00000 4.92888 421. RY (42) S 5 680. 0.00000 3.07874 422. RY (43) S 5 681. 0.00000 4.02854 423. RY (44) S 5 682. 0.00000 2.77386 424. RY (45) S 5 683. 0.00000 3.39688 425. RY (46) S 5 684. 0.00000 1.81107 426. RY (47) S 5 685. 0.00000 71.62674 427. RY (48) S 5 686. 0.00000 321.96137 428. RY (49) S 5 687. 0.00000 30.30712 429. RY (50) S 5 688. 0.00000 24.57200 430. RY (51) S 5 689. 0.00000 43.82991 431. RY (52) S 5 690. 0.00000 92.82033 432. RY (53) S 5 691. 0.00000 15.94594 433. RY (54) S 5 692. 0.00000 18.33998 434. RY (55) S 5 693. 0.00000 6.50232 435. RY (56) S 5 694. 0.00000 5.00425 436. RY (57) S 5 695. 0.00000 7.86431 437. RY (58) S 5 696. 0.00000 4.64393 438. RY (59) S 5 697. 0.00000 8.18795 439. RY (60) S 5 698. 0.00000 5.40074 440. RY (61) S 5 699. 0.00000 4.35001 461. RY (21) S 6 700. 0.00000 5.94913 462. RY (22) S 6 701. 0.00000 5.01261 463. RY (23) S 6 702. 0.00000 4.64604 464. RY (24) S 6 703. 0.00000 5.29517 465. RY (25) S 6 704. 0.00000 4.63236 466. RY (26) S 6 705. 0.00000 4.97354 467. RY (27) S 6 706. 0.00000 4.26611 468. RY (28) S 6 707. 0.00000 4.92955 469. RY (29) S 6 708. 0.00000 4.85801 470. RY (30) S 6 709. 0.00000 3.91850 471. RY (31) S 6 710. 0.00000 4.73871 472. RY (32) S 6 711. 0.00000 4.84446 473. RY (33) S 6 712. 0.00000 5.01740 474. RY (34) S 6 713. 0.00000 4.13383 475. RY (35) S 6 714. 0.00000 4.46936 476. RY (36) S 6 715. 0.00000 3.43563 477. RY (37) S 6 716. 0.00000 3.91016 478. RY (38) S 6 717. 0.00000 3.04080 479. RY (39) S 6 718. 0.00000 3.45083 480. RY (40) S 6 719. 0.00000 3.62092 481. RY (41) S 6 720. 0.00000 2.58329 482. RY (42) S 6 721. 0.00000 2.84982 483. RY (43) S 6 722. 0.00000 3.20987 516. RY (15) C 7 723. 0.00000 6.56101 517. RY (16) C 7 724. 0.00000 104.28770 484. RY (44) S 6 725. 0.00000 355.98745 485. RY (45) S 6 726. 0.00000 47.84359 486. RY (46) S 6 727. 0.00000 26.35031 487. RY (47) S 6 728. 0.00000 27.67882 488. RY (48) S 6 729. 0.00000 18.90612 489. RY (49) S 6 730. 0.00000 11.06961 490. RY (50) S 6 731. 0.00000 16.56997 491. RY (51) S 6 732. 0.00000 10.54559 492. RY (52) S 6 733. 0.00000 13.63083 493. RY (53) S 6 734. 0.00000 5.21732 494. RY (54) S 6 735. 0.00000 5.76814 495. RY (55) S 6 736. 0.00000 5.46237 496. RY (56) S 6 737. 0.00000 6.30174 497. RY (57) S 6 738. 0.00000 8.20395 498. RY (58) S 6 739. 0.00000 4.92113 499. RY (59) S 6 740. 0.00000 8.07142 500. RY (60) S 6 741. 0.00000 5.38094 501. RY (61) S 6 742. 0.00000 8.05862 518. RY (17) C 7 743. 0.00000 6.49310 519. RY (18) C 7 744. 0.00000 7.15687 520. RY (19) C 7 745. 0.00000 7.30832 521. RY (20) C 7 746. 0.00000 7.85300 522. RY (21) C 7 747. 0.00000 7.07205 523. RY (22) C 7 748. 0.00000 6.70532 524. RY (23) C 7 749. 0.00000 7.88083 525. RY (24) C 7 750. 0.00000 6.05060 526. RY (25) C 7 751. 0.00000 6.69641 527. RY (26) C 7 752. 0.00000 7.52688 528. RY (27) C 7 753. 0.00000 6.95832 529. RY (28) C 7 754. 0.00000 7.03148 530. RY (29) C 7 755. 0.00000 7.33683 531. RY (30) C 7 756. 0.00000 6.33858 532. RY (31) C 7 757. 0.00000 5.42844 533. RY (32) C 7 758. 0.00000 4.60997 534. RY (33) C 7 759. 0.00000 5.49662 535. RY (34) C 7 760. 0.00000 4.64559 536. RY (35) C 7 761. 0.00000 5.06063 537. RY (36) C 7 762. 0.00000 4.64119 538. RY (37) C 7 763. 0.00000 5.24545 539. RY (38) C 7 764. 0.00000 3.53255 540. RY (39) C 7 765. 0.00000 3.02089 541. RY (40) C 7 766. 0.00000 2.95538 542. RY (41) C 7 767. 0.00000 3.52641 567. RY (14) C 8 768. 0.00000 6.69587 568. RY (15) C 8 769. 0.00000 3.27756 569. RY (16) C 8 770. 0.00000 3.26660 618. RY (13) C 9 771. 0.00001 2.75831 619. RY (14) C 9 772. 0.00001 4.20252 680. RY (23) P 10 773. 0.00000 3.54288 681. RY (24) P 10 774. 0.00001 4.84835 736. RY (18) C 11 775. 0.00001 5.43317 788. RY (18) C 12 776. 0.00001 3.32764 840. RY (18) C 13 777. 0.00000 4.04917 620. RY (15) C 9 778. 0.00000 5.62249 621. RY (16) C 9 779. 0.00000 116.68886 543. RY (42) C 7 780. 0.00000 7.67775 544. RY (43) C 7 781. 0.00000 7.24873 545. RY (44) C 7 782. 0.00000 14.62646 546. RY (45) C 7 783. 0.00000 7.05994 547. RY (46) C 7 784. 0.00000 7.75262 548. RY (47) C 7 785. 0.00000 7.05346 549. RY (48) C 7 786. 0.00000 8.05080 550. RY (49) C 7 787. 0.00000 7.46166 551. RY (50) C 7 788. 0.00000 8.35982 552. RY (51) C 7 789. 0.00000 6.81456 553. RY (52) C 7 790. 0.00000 7.53437 570. RY (17) C 8 791. 0.00000 6.92919 571. RY (18) C 8 792. 0.00000 7.45834 572. RY (19) C 8 793. 0.00000 7.60036 573. RY (20) C 8 794. 0.00000 8.36001 574. RY (21) C 8 795. 0.00000 8.44284 575. RY (22) C 8 796. 0.00000 6.88299 576. RY (23) C 8 797. 0.00000 6.98758 577. RY (24) C 8 798. 0.00000 6.38037 578. RY (25) C 8 799. 0.00000 6.90985 579. RY (26) C 8 800. 0.00000 6.25326 580. RY (27) C 8 801. 0.00000 6.34113 581. RY (28) C 8 802. 0.00000 6.40014 582. RY (29) C 8 803. 0.00000 6.81460 583. RY (30) C 8 804. 0.00000 5.78904 584. RY (31) C 8 805. 0.00000 4.99828 585. RY (32) C 8 806. 0.00000 5.37575 586. RY (33) C 8 807. 0.00000 4.94033 587. RY (34) C 8 808. 0.00000 6.08144 588. RY (35) C 8 809. 0.00000 5.57285 589. RY (36) C 8 810. 0.00000 3.60911 590. RY (37) C 8 811. 0.00000 4.04852 591. RY (38) C 8 812. 0.00000 4.05110 592. RY (39) C 8 813. 0.00000 2.64267 593. RY (40) C 8 814. 0.00000 2.87532 594. RY (41) C 8 815. 0.00000 104.44641 595. RY (42) C 8 816. 0.00000 11.91732 596. RY (43) C 8 817. 0.00000 7.71230 597. RY (44) C 8 818. 0.00000 14.70157 598. RY (45) C 8 819. 0.00000 10.27320 599. RY (46) C 8 820. 0.00000 10.43091 600. RY (47) C 8 821. 0.00000 7.27799 601. RY (48) C 8 822. 0.00000 9.15792 602. 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RY (24) H 17 1119. 0.00000 8.51186 1032. RY (25) H 17 1120. 0.00000 8.30669 1033. RY (26) H 17 1121. 0.00000 8.82038 1034. RY (27) H 17 1122. 0.00000 7.52470 1035. RY (28) H 17 1123. 0.00000 8.95071 1036. RY (29) H 17 1124. 0.00000 7.65949 1046. RY (10) H 18 1125. 0.00000 7.40394 1047. RY (11) H 18 1126. 0.00000 7.43931 1048. RY (12) H 18 1127. 0.00000 8.16912 1049. RY (13) H 18 1128. 0.00000 6.97659 1050. RY (14) H 18 1129. 0.00000 6.65265 1051. RY (15) H 18 1130. 0.00000 6.54655 1052. RY (16) H 18 1131. 0.00000 6.81576 1053. RY (17) H 18 1132. 0.00000 5.89004 1054. RY (18) H 18 1133. 0.00000 4.32813 1055. RY (19) H 18 1134. 0.00000 6.12593 1056. RY (20) H 18 1135. 0.00000 8.54044 1057. RY (21) H 18 1136. 0.00000 5.95915 1058. RY (22) H 18 1137. 0.00000 4.24102 1059. RY (23) H 18 1138. 0.00000 3.97584 1073. RY ( 8) H 19 1139. 0.00000 5.18636 1074. RY ( 9) H 19 1140. 0.00000 4.57953 1102. RY ( 8) H 20 1141. 0.00000 5.75611 1131. RY ( 8) H 21 1142. 0.00000 9.84683 1060. RY (24) H 18 1143. 0.00000 8.38121 1061. RY (25) H 18 1144. 0.00000 9.14317 1062. RY (26) H 18 1145. 0.00000 7.45445 1063. RY (27) H 18 1146. 0.00000 7.46766 1064. RY (28) H 18 1147. 0.00000 8.44763 1065. RY (29) H 18 1148. 0.00000 7.20365 1075. RY (10) H 19 1149. 0.00000 7.49351 1076. RY (11) H 19 1150. 0.00000 7.95080 1077. RY (12) H 19 1151. 0.00000 8.05313 1078. RY (13) H 19 1152. 0.00000 7.42484 1079. RY (14) H 19 1153. 0.00000 6.90785 1080. RY (15) H 19 1154. 0.00000 7.26917 1081. RY (16) H 19 1155. 0.00000 6.84632 1082. RY (17) H 19 1156. 0.00000 6.06159 1083. RY (18) H 19 1157. 0.00000 7.01737 1084. RY (19) H 19 1158. 0.00000 4.82604 1085. RY (20) H 19 1159. 0.00000 5.83268 1086. RY (21) H 19 1160. 0.00000 7.58351 1087. RY (22) H 19 1161. 0.00000 5.62724 1088. RY (23) H 19 1162. 0.00000 6.83200 1089. RY (24) H 19 1163. 0.00000 8.89977 1090. RY (25) H 19 1164. 0.00000 8.90440 1091. RY (26) H 19 1165. 0.00000 8.60773 1092. RY (27) H 19 1166. 0.00000 8.30141 1093. RY (28) H 19 1167. 0.00000 8.16431 1094. RY (29) H 19 1168. 0.00000 7.08463 1103. RY ( 9) H 20 1169. 0.00000 7.03402 1104. RY (10) H 20 1170. 0.00000 8.13580 1105. RY (11) H 20 1171. 0.00000 6.71045 1106. RY (12) H 20 1172. 0.00000 5.78758 1107. RY (13) H 20 1173. 0.00000 6.35750 1108. RY (14) H 20 1174. 0.00000 5.83518 1109. RY (15) H 20 1175. 0.00000 7.01831 1110. RY (16) H 20 1176. 0.00000 6.08825 1111. RY (17) H 20 1177. 0.00000 6.69908 1112. RY (18) H 20 1178. 0.00000 4.61436 1113. RY (19) H 20 1179. 0.00000 7.71315 1114. RY (20) H 20 1180. 0.00000 6.53027 1115. RY (21) H 20 1181. 0.00000 5.67127 1116. RY (22) H 20 1182. 0.00000 4.47726 1132. RY ( 9) H 21 1183. 0.00000 8.88425 1117. RY (23) H 20 1184. 0.00000 9.03178 1118. RY (24) H 20 1185. 0.00000 9.49310 1119. RY (25) H 20 1186. 0.00000 7.80417 1120. RY (26) H 20 1187. 0.00000 7.94426 1121. RY (27) H 20 1188. 0.00000 8.38541 1122. RY (28) H 20 1189. 0.00000 7.72846 1123. RY (29) H 20 1190. 0.00000 8.24882 1133. RY (10) H 21 1191. 0.00000 8.31512 1134. RY (11) H 21 1192. 0.00000 6.75704 1135. RY (12) H 21 1193. 0.00000 7.80461 1136. RY (13) H 21 1194. 0.00000 6.83508 1137. RY (14) H 21 1195. 0.00000 6.22675 1138. RY (15) H 21 1196. 0.00000 6.22261 1139. RY (16) H 21 1197. 0.00000 6.13713 1140. RY (17) H 21 1198. 0.00000 7.34990 1141. RY (18) H 21 1199. 0.00000 4.39945 1142. RY (19) H 21 1200. 0.00000 9.08329 1143. RY (20) H 21 1201. 0.00000 5.15895 1144. RY (21) H 21 1202. 0.00000 6.82118 1145. RY (22) H 21 1203. 0.00000 5.25087 1146. RY (23) H 21 1204. 0.00000 5.55082 1159. RY ( 7) H 22 1205. 0.00000 3.84026 1160. RY ( 8) H 22 1206. 0.00000 3.81536 1161. RY ( 9) H 22 1207. 0.00000 4.79855 1189. RY ( 8) H 23 1208. 0.00000 5.39003 1219. RY ( 9) H 24 1209. 0.00000 3.43065 1247. RY ( 8) H 25 1210. 0.00000 4.49916 1248. RY ( 9) H 25 1211. 0.00000 6.15103 1249. RY (10) H 25 1212. 0.00001 4.67354 1250. RY (11) H 25 1213. 0.00000 5.35182 1276. RY ( 8) H 26 1214. 0.00000 3.39946 1277. RY ( 9) H 26 1215. 0.00001 4.65512 1278. RY (10) H 26 1216. 0.00001 5.76191 1279. RY (11) H 26 1217. 0.00001 5.25789 1305. RY ( 8) H 27 1218. 0.00001 3.94735 1306. RY ( 9) H 27 1219. 0.00000 5.49808 1307. RY (10) H 27 1220. 0.00001 5.40280 1334. RY ( 8) H 28 1221. 0.00001 4.89900 1335. RY ( 9) H 28 1222. 0.00001 5.56878 1364. RY ( 9) H 29 1223. 0.00000 9.05250 1147. RY (24) H 21 1224. 0.00000 8.63559 1148. RY (25) H 21 1225. 0.00000 9.50168 1149. RY (26) H 21 1226. 0.00000 7.28473 1150. RY (27) H 21 1227. 0.00000 8.20553 1151. RY (28) H 21 1228. 0.00000 7.38424 1152. RY (29) H 21 1229. 0.00000 8.43979 1162. RY (10) H 22 1230. 0.00000 7.43899 1163. RY (11) H 22 1231. 0.00000 8.06103 1164. RY (12) H 22 1232. 0.00000 8.28937 1165. RY (13) H 22 1233. 0.00000 6.76847 1166. RY (14) H 22 1234. 0.00000 5.96641 1167. RY (15) H 22 1235. 0.00000 7.35306 1168. RY (16) H 22 1236. 0.00000 6.66954 1169. RY (17) H 22 1237. 0.00000 7.20325 1170. RY (18) H 22 1238. 0.00000 7.02719 1171. RY (19) H 22 1239. 0.00000 4.93289 1172. RY (20) H 22 1240. 0.00000 6.70742 1173. RY (21) H 22 1241. 0.00000 6.12542 1174. RY (22) H 22 1242. 0.00000 5.67139 1175. RY (23) H 22 1243. 0.00000 6.79497 1176. RY (24) H 22 1244. 0.00000 9.71953 1177. RY (25) H 22 1245. 0.00000 8.75268 1178. RY (26) H 22 1246. 0.00000 7.99412 1179. RY (27) H 22 1247. 0.00000 8.67494 1180. RY (28) H 22 1248. 0.00000 7.50045 1181. RY (29) H 22 1249. 0.00000 7.86894 1190. RY ( 9) H 23 1250. 0.00000 7.15016 1191. RY (10) H 23 1251. 0.00000 8.45005 1192. RY (11) H 23 1252. 0.00000 6.92120 1193. RY (12) H 23 1253. 0.00000 6.91625 1194. RY (13) H 23 1254. 0.00000 5.84026 1195. RY (14) H 23 1255. 0.00000 6.40321 1196. RY (15) H 23 1256. 0.00000 5.57060 1197. RY (16) H 23 1257. 0.00000 6.52358 1198. RY (17) H 23 1258. 0.00000 6.82400 1199. RY (18) H 23 1259. 0.00000 5.73862 1200. RY (19) H 23 1260. 0.00000 5.38383 1201. RY (20) H 23 1261. 0.00000 7.34628 1202. RY (21) H 23 1262. 0.00000 6.82840 1203. RY (22) H 23 1263. 0.00000 5.07679 1204. RY (23) H 23 1264. 0.00000 9.66112 1205. RY (24) H 23 1265. 0.00000 8.19387 1206. RY (25) H 23 1266. 0.00000 8.72053 1207. RY (26) H 23 1267. 0.00000 8.21778 1208. RY (27) H 23 1268. 0.00000 8.49014 1209. RY (28) H 23 1269. 0.00000 8.23925 1210. RY (29) H 23 1270. 0.00000 7.59472 1220. RY (10) H 24 1271. 0.00000 8.04697 1221. RY (11) H 24 1272. 0.00000 7.78119 1222. RY (12) H 24 1273. 0.00000 7.49976 1223. RY (13) H 24 1274. 0.00000 6.27043 1224. RY (14) H 24 1275. 0.00000 6.79793 1225. RY (15) H 24 1276. 0.00000 6.49789 1226. RY (16) H 24 1277. 0.00000 6.41035 1227. RY (17) H 24 1278. 0.00000 8.44746 1228. RY (18) H 24 1279. 0.00000 4.39369 1229. RY (19) H 24 1280. 0.00000 5.68983 1230. RY (20) H 24 1281. 0.00000 5.54045 1231. RY (21) H 24 1282. 0.00000 5.56633 1232. RY (22) H 24 1283. 0.00000 9.53331 1233. RY (23) H 24 1284. 0.00000 9.26349 1234. RY (24) H 24 1285. 0.00000 9.30365 1235. RY (25) H 24 1286. 0.00000 7.65006 1236. RY (26) H 24 1287. 0.00000 7.41906 1237. RY (27) H 24 1288. 0.00000 7.14796 1238. RY (28) H 24 1289. 0.00000 8.20212 1239. RY (29) H 24 1290. 0.00000 6.93305 1251. RY (12) H 25 1291. 0.00000 7.61552 1252. RY (13) H 25 1292. 0.00000 7.81881 1253. RY (14) H 25 1293. 0.00000 7.34137 1254. RY (15) H 25 1294. 0.00000 7.18264 1255. RY (16) H 25 1295. 0.00000 7.00462 1256. RY (17) H 25 1296. 0.00000 7.79664 1257. RY (18) H 25 1297. 0.00000 6.68230 1258. RY (19) H 25 1298. 0.00000 6.36570 1259. RY (20) H 25 1299. 0.00000 9.30708 1260. RY (21) H 25 1300. 0.00000 5.60549 1261. RY (22) H 25 1301. 0.00000 9.09293 1262. RY (23) H 25 1302. 0.00000 8.83767 1263. RY (24) H 25 1303. 0.00000 9.52335 1264. RY (25) H 25 1304. 0.00000 7.70200 1265. RY (26) H 25 1305. 0.00000 9.07857 1266. RY (27) H 25 1306. 0.00000 7.30450 1267. RY (28) H 25 1307. 0.00000 7.96119 1268. RY (29) H 25 1308. 0.00000 7.55123 1280. RY (12) H 26 1309. 0.00000 7.62415 1281. RY (13) H 26 1310. 0.00000 7.28596 1282. RY (14) H 26 1311. 0.00000 7.06305 1283. RY (15) H 26 1312. 0.00000 7.09721 1284. RY (16) H 26 1313. 0.00000 7.04071 1285. RY (17) H 26 1314. 0.00000 6.47899 1286. RY (18) H 26 1315. 0.00000 9.80570 1287. RY (19) H 26 1316. 0.00000 5.40342 1288. RY (20) H 26 1317. 0.00000 6.78810 1289. RY (21) H 26 1318. 0.00000 6.04847 1290. RY (22) H 26 1319. 0.00000 6.29134 1308. RY (11) H 27 1320. 0.00000 4.57849 1309. RY (12) H 27 1321. 0.00000 4.22650 1336. RY (10) H 28 1322. 0.00000 4.64330 1337. RY (11) H 28 1323. 0.00000 4.86016 1365. RY (10) H 29 1324. 0.00000 3.96800 1366. RY (11) H 29 1325. 0.00000 9.12825 1291. RY (23) H 26 1326. 0.00000 8.48560 1292. RY (24) H 26 1327. 0.00000 9.05433 1293. RY (25) H 26 1328. 0.00000 7.87561 1294. RY (26) H 26 1329. 0.00000 8.69410 1295. RY (27) H 26 1330. 0.00000 7.94368 1296. RY (28) H 26 1331. 0.00000 8.21786 1297. RY (29) H 26 1332. 0.00000 7.45515 1310. RY (13) H 27 1333. 0.00000 7.19383 1311. RY (14) H 27 1334. 0.00000 7.67192 1312. RY (15) H 27 1335. 0.00000 6.81962 1313. RY (16) H 27 1336. 0.00000 7.09789 1314. RY (17) H 27 1337. 0.00000 8.04826 1315. RY (18) H 27 1338. 0.00000 6.51891 1316. RY (19) H 27 1339. 0.00000 6.38888 1317. RY (20) H 27 1340. 0.00000 8.84290 1318. RY (21) H 27 1341. 0.00000 5.39757 1319. RY (22) H 27 1342. 0.00000 6.58706 1338. RY (12) H 28 1343. 0.00000 5.10528 1339. RY (13) H 28 1344. 0.00000 6.89760 1340. RY (14) H 28 1345. 0.00000 5.77328 1367. RY (12) H 29 1346. 0.00000 9.47487 1320. RY (23) H 27 1347. 0.00000 9.18779 1321. RY (24) H 27 1348. 0.00000 9.63546 1322. RY (25) H 27 1349. 0.00000 8.31528 1323. RY (26) H 27 1350. 0.00000 8.70183 1324. RY (27) H 27 1351. 0.00000 7.11568 1325. RY (28) H 27 1352. 0.00000 7.64439 1326. RY (29) H 27 1353. 0.00000 7.81784 1341. RY (15) H 28 1354. 0.00000 7.75865 1342. RY (16) H 28 1355. 0.00000 7.17773 1343. RY (17) H 28 1356. 0.00000 7.34792 1344. RY (18) H 28 1357. 0.00000 7.10138 1345. RY (19) H 28 1358. 0.00000 7.03250 1346. RY (20) H 28 1359. 0.00000 6.50121 1347. RY (21) H 28 1360. 0.00000 9.46241 1348. RY (22) H 28 1361. 0.00000 8.82733 1349. RY (23) H 28 1362. 0.00000 8.89676 1350. RY (24) H 28 1363. 0.00000 9.02860 1351. RY (25) H 28 1364. 0.00000 8.09881 1352. RY (26) H 28 1365. 0.00000 8.62399 1353. RY (27) H 28 1366. 0.00000 7.62513 1354. RY (28) H 28 1367. 0.00000 7.96208 1355. RY (29) H 28 1368. 0.00000 7.87410 1368. RY (13) H 29 1369. 0.00000 7.08348 1369. RY (14) H 29 1370. 0.00000 7.64034 1370. RY (15) H 29 1371. 0.00000 7.17927 1371. RY (16) H 29 1372. 0.00000 8.12107 1372. RY (17) H 29 1373. 0.00000 7.37702 1373. RY (18) H 29 1374. 0.00000 6.83159 1374. RY (19) H 29 1375. 0.00000 7.59803 1375. RY (20) H 29 1376. 0.00000 8.85479 1376. RY (21) H 29 1377. 0.00000 7.13985 1377. RY (22) H 29 1378. 0.00000 4.36771 1378. RY (23) H 29 1379. 0.00000 9.05233 1379. RY (24) H 29 1380. 0.00000 9.22099 1380. RY (25) H 29 1381. 0.00000 8.64819 1381. RY (26) H 29 1382. 0.00000 7.50553 1382. RY (27) H 29 1383. 0.00000 7.68158 1383. RY (28) H 29 1384. 0.00000 8.80852 1384. RY (29) H 29 Checkpoint orbital transformation(s) sent to host program NBO analysis completed in 89689.13 CPU seconds (13454 wall seconds) Maximum scratch memory used by NBO was 16571268 words (126.43 MB) Maximum scratch memory used by G16NBO was 3846833 words (29.35 MB) ---------- Alpha spin NAO deletions ---------- NEDA: Natural Energy Decomposition Analysis Deletion of the NAO Fock matrix elements between orbitals: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 99910001001100210031004100510061007100810091010 10111012101310141015101610171018101910201021102210231024102510261027102810291030 10311032103310341035103610371038103910401041104210431044104510461047104810491050 10511052105310541055105610571058105910601061106210631064106510661067106810691070 10711072107310741075107610771078107910801081108210831084108510861087108810891090 10911092109310941095109610971098109911001101110211031104110511061107110811091110 11111112111311141115111611171118111911201121112211231124112511261127112811291130 11311132113311341135113611371138113911401141114211431144114511461147114811491150 11511152115311541155115611571158115911601161116211631164116511661167116811691170 11711172117311741175117611771178117911801181118211831184118511861187118811891190 11911192119311941195119611971198119912001201120212031204120512061207120812091210 12111212121312141215121612171218121912201221122212231224122512261227122812291230 12311232123312341235123612371238123912401241124212431244124512461247124812491250 12511252125312541255125612571258125912601261126212631264126512661267126812691270 12711272127312741275127612771278127912801281128212831284128512861287128812891290 12911292129312941295129612971298129913001301130213031304130513061307130813091310 13111312131313141315131613171318131913201321132213231324132513261327132813291330 13311332133313341335133613371338133913401341134213431344134513461347134813491350 13511352135313541355135613571358135913601361136213631364136513661367136813691370 13711372137313741375137613771378137913801381138213831384 and orbitals: 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 Orbital occupancies: Orbital No deletions This deletion Change ------------------------------------------------------------------------------ 1. Tc 1( 4s ) 0.99997 0.99997 0.00000 2. Tc 1( 5s ) 0.18007 0.10119 -0.07887 3. Tc 1( 6s ) 0.00169 0.00021 -0.00148 4. Tc 1( 9s ) 0.00061 0.00050 -0.00011 5. Tc 1( 8s ) 0.00007 0.00008 0.00001 6. Tc 1( 7s ) 0.00002 0.00001 -0.00001 7. Tc 1(10s ) 0.00000 0.00000 0.00000 8. Tc 1( 4px) 0.99991 0.99994 0.00002 9. Tc 1( 6px) 0.00366 0.00068 -0.00298 10. Tc 1( 8px) 0.00042 0.00026 -0.00016 11. Tc 1( 5px) 0.00005 0.00002 -0.00003 12. Tc 1( 7px) 0.00004 0.00002 -0.00002 13. Tc 1( 4py) 0.99990 0.99992 0.00001 14. Tc 1( 6py) 0.00119 0.00066 -0.00053 15. Tc 1( 8py) 0.00048 0.00022 -0.00026 16. Tc 1( 5py) 0.00014 0.00010 -0.00004 17. Tc 1( 7py) 0.00001 0.00001 0.00000 18. Tc 1( 4pz) 0.99990 0.99996 0.00006 19. Tc 1( 6pz) 0.00190 0.00040 -0.00149 20. Tc 1( 8pz) 0.00059 0.00003 -0.00056 21. Tc 1( 5pz) 0.00012 0.00002 -0.00011 22. Tc 1( 7pz) 0.00002 0.00001 -0.00001 23. Tc 1( 4d1) 0.54665 0.53644 -0.01021 24. Tc 1( 5d1) 0.00254 0.00118 -0.00136 25. Tc 1( 6d1) 0.00020 0.00007 -0.00012 26. Tc 1( 7d1) 0.00004 0.00003 -0.00001 27. Tc 1( 4d2) 0.85884 0.92323 0.06440 28. Tc 1( 5d2) 0.00247 0.00238 -0.00010 29. Tc 1( 6d2) 0.00048 0.00032 -0.00015 30. Tc 1( 7d2) 0.00001 0.00001 0.00000 31. Tc 1( 4d3) 0.56086 0.97253 0.41167 32. Tc 1( 5d3) 0.00170 0.00039 -0.00130 33. Tc 1( 6d3) 0.00026 0.00010 -0.00016 34. Tc 1( 7d3) 0.00005 0.00002 -0.00002 35. Tc 1( 4d4) 0.90229 0.92948 0.02719 36. Tc 1( 5d4) 0.00226 0.00153 -0.00073 37. Tc 1( 6d4) 0.00025 0.00012 -0.00012 38. Tc 1( 7d4) 0.00003 0.00003 0.00000 39. Tc 1( 4d5) 0.52958 0.94939 0.41981 40. Tc 1( 5d5) 0.00283 0.00278 -0.00004 41. Tc 1( 6d5) 0.00017 0.00019 0.00002 42. Tc 1( 7d5) 0.00003 0.00002 -0.00001 43. Tc 1( 4f1) 0.00057 0.00026 -0.00032 44. Tc 1( 5f1) 0.00047 0.00014 -0.00033 45. Tc 1( 6f1) 0.00004 0.00008 0.00004 46. Tc 1( 7f1) 0.00000 0.00000 0.00000 47. Tc 1( 4f2) 0.00201 0.00055 -0.00146 48. Tc 1( 5f2) 0.00040 0.00013 -0.00027 49. Tc 1( 6f2) 0.00005 0.00003 -0.00002 50. Tc 1( 7f2) 0.00000 0.00000 0.00000 51. Tc 1( 4f3) 0.00153 0.00064 -0.00089 52. Tc 1( 5f3) 0.00054 0.00016 -0.00037 53. Tc 1( 6f3) 0.00004 0.00004 0.00000 54. Tc 1( 7f3) 0.00000 0.00000 0.00000 55. Tc 1( 4f4) 0.00149 0.00072 -0.00077 56. Tc 1( 5f4) 0.00033 0.00008 -0.00025 57. Tc 1( 6f4) 0.00005 0.00005 0.00000 58. Tc 1( 7f4) 0.00000 0.00000 0.00000 59. Tc 1( 4f5) 0.00151 0.00059 -0.00092 60. Tc 1( 5f5) 0.00026 0.00010 -0.00016 61. Tc 1( 6f5) 0.00006 0.00004 -0.00002 62. Tc 1( 7f5) 0.00000 0.00000 0.00000 63. Tc 1( 4f6) 0.00115 0.00084 -0.00031 64. Tc 1( 5f6) 0.00024 0.00018 -0.00006 65. Tc 1( 6f6) 0.00005 0.00004 -0.00001 66. Tc 1( 7f6) 0.00001 0.00001 0.00000 67. Tc 1( 4f7) 0.00128 0.00108 -0.00020 68. Tc 1( 5f7) 0.00028 0.00029 0.00001 69. Tc 1( 6f7) 0.00004 0.00002 -0.00001 70. Tc 1( 7f7) 0.00000 0.00000 0.00000 71. Tc 1( 5g1) 0.00011 0.00004 -0.00007 72. Tc 1( 6g1) 0.00000 0.00000 0.00000 73. Tc 1( 5g2) 0.00006 0.00002 -0.00004 74. Tc 1( 6g2) 0.00000 0.00000 0.00000 75. Tc 1( 5g3) 0.00009 0.00003 -0.00006 76. Tc 1( 6g3) 0.00001 0.00000 0.00000 77. Tc 1( 5g4) 0.00012 0.00005 -0.00007 78. Tc 1( 6g4) 0.00000 0.00000 0.00000 79. Tc 1( 5g5) 0.00016 0.00005 -0.00011 80. Tc 1( 6g5) 0.00000 0.00000 0.00000 81. Tc 1( 5g6) 0.00017 0.00006 -0.00011 82. Tc 1( 6g6) 0.00000 0.00000 0.00000 83. Tc 1( 5g7) 0.00005 0.00004 -0.00001 84. Tc 1( 6g7) 0.00000 0.00000 0.00000 85. Tc 1( 5g8) 0.00009 0.00009 -0.00001 86. Tc 1( 6g8) 0.00001 0.00001 0.00000 87. Tc 1( 5g9) 0.00006 0.00005 -0.00001 88. Tc 1( 6g9) 0.00001 0.00001 0.00000 89. S 2( 1s ) 1.00000 1.00000 0.00000 90. S 2( 2s ) 1.00000 1.00000 0.00000 91. S 2( 3s ) 0.88621 0.94873 0.06252 92. S 2( 4s ) 0.00126 0.00033 -0.00094 93. S 2( 5s ) 0.00004 0.00004 0.00000 94. S 2( 6s ) 0.00000 0.00001 0.00000 95. S 2( 7s ) 0.00000 0.00001 0.00001 96. S 2( 9s ) 0.00000 0.00000 0.00000 97. S 2( 8s ) 0.00000 0.00000 0.00000 98. S 2( 2px) 1.00000 1.00000 0.00000 99. S 2( 3px) 0.50724 0.51399 0.00675 100. S 2( 4px) 0.00160 0.00067 -0.00093 101. S 2( 5px) 0.00009 0.00017 0.00008 102. S 2( 6px) 0.00001 0.00003 0.00002 103. S 2( 7px) 0.00000 0.00000 0.00000 104. S 2( 2py) 1.00000 1.00000 0.00000 105. S 2( 3py) 0.79025 0.66522 -0.12503 106. S 2( 4py) 0.00154 0.00049 -0.00105 107. S 2( 5py) 0.00011 0.00014 0.00003 108. S 2( 6py) 0.00000 0.00001 0.00000 109. S 2( 7py) 0.00000 0.00000 0.00000 110. S 2( 2pz) 1.00000 1.00000 0.00000 111. S 2( 3pz) 0.82081 0.66815 -0.15267 112. S 2( 4pz) 0.00111 0.00079 -0.00032 113. S 2( 5pz) 0.00012 0.00020 0.00009 114. S 2( 6pz) 0.00001 0.00001 0.00000 115. S 2( 7pz) 0.00000 0.00000 0.00000 116. S 2( 3d1) 0.00303 0.00193 -0.00110 117. S 2( 4d1) 0.00024 0.00011 -0.00013 118. S 2( 5d1) 0.00000 0.00000 0.00000 119. S 2( 6d1) 0.00000 0.00000 0.00000 120. S 2( 3d2) 0.00352 0.00206 -0.00146 121. S 2( 4d2) 0.00046 0.00040 -0.00006 122. S 2( 5d2) 0.00001 0.00000 0.00000 123. S 2( 6d2) 0.00000 0.00000 0.00000 124. S 2( 3d3) 0.00302 0.00070 -0.00232 125. S 2( 4d3) 0.00033 0.00014 -0.00018 126. S 2( 5d3) 0.00000 0.00000 0.00000 127. S 2( 6d3) 0.00000 0.00000 0.00000 128. S 2( 3d4) 0.00428 0.00187 -0.00241 129. S 2( 4d4) 0.00033 0.00033 0.00000 130. S 2( 5d4) 0.00001 0.00000 0.00000 131. S 2( 6d4) 0.00000 0.00000 0.00000 132. S 2( 3d5) 0.00308 0.00062 -0.00246 133. S 2( 4d5) 0.00045 0.00025 -0.00019 134. S 2( 5d5) 0.00000 0.00001 0.00000 135. S 2( 6d5) 0.00000 0.00000 0.00000 136. S 2( 4f1) 0.00005 0.00004 -0.00001 137. S 2( 5f1) 0.00003 0.00001 -0.00002 138. S 2( 4f2) 0.00012 0.00009 -0.00003 139. S 2( 5f2) 0.00003 0.00001 -0.00002 140. S 2( 4f3) 0.00014 0.00002 -0.00012 141. S 2( 5f3) 0.00002 0.00000 -0.00002 142. S 2( 4f4) 0.00014 0.00013 -0.00001 143. S 2( 5f4) 0.00004 0.00001 -0.00003 144. S 2( 4f5) 0.00011 0.00004 -0.00007 145. S 2( 5f5) 0.00001 0.00000 -0.00001 146. S 2( 4f6) 0.00025 0.00026 0.00000 147. S 2( 5f6) 0.00002 0.00001 -0.00001 148. S 2( 4f7) 0.00018 0.00017 -0.00001 149. S 2( 5f7) 0.00002 0.00001 -0.00001 150. S 2( 5g1) 0.00001 0.00000 -0.00001 151. S 2( 5g2) 0.00001 0.00001 0.00000 152. S 2( 5g3) 0.00001 0.00000 -0.00001 153. S 2( 5g4) 0.00002 0.00001 -0.00001 154. S 2( 5g5) 0.00001 0.00000 -0.00001 155. S 2( 5g6) 0.00001 0.00000 0.00000 156. S 2( 5g7) 0.00000 0.00000 0.00000 157. S 2( 5g8) 0.00002 0.00001 0.00000 158. S 2( 5g9) 0.00001 0.00001 0.00000 159. S 3( 1s ) 1.00000 1.00000 0.00000 160. S 3( 2s ) 1.00000 1.00000 0.00000 161. S 3( 3s ) 0.89701 0.89563 -0.00138 162. S 3( 4s ) 0.00203 0.00088 -0.00114 163. S 3( 6s ) 0.00006 0.00004 -0.00002 164. S 3( 5s ) 0.00000 0.00000 0.00000 165. S 3( 7s ) 0.00000 0.00000 0.00000 166. S 3( 9s ) 0.00000 0.00000 0.00000 167. S 3( 8s ) 0.00000 0.00000 0.00000 168. S 3( 2px) 1.00000 1.00000 0.00000 169. S 3( 3px) 0.59339 0.54627 -0.04712 170. S 3( 4px) 0.00195 0.00139 -0.00056 171. S 3( 5px) 0.00013 0.00020 0.00007 172. S 3( 6px) 0.00001 0.00000 0.00000 173. S 3( 7px) 0.00000 0.00000 0.00000 174. S 3( 2py) 1.00000 1.00000 0.00000 175. S 3( 3py) 0.80438 0.64456 -0.15982 176. S 3( 4py) 0.00123 0.00052 -0.00071 177. S 3( 5py) 0.00011 0.00014 0.00003 178. S 3( 6py) 0.00000 0.00000 0.00000 179. S 3( 7py) 0.00000 0.00000 0.00000 180. S 3( 2pz) 1.00000 1.00000 0.00000 181. S 3( 3pz) 0.68496 0.57319 -0.11176 182. S 3( 4pz) 0.00159 0.00106 -0.00053 183. S 3( 5pz) 0.00011 0.00012 0.00000 184. S 3( 6pz) 0.00000 0.00001 0.00000 185. S 3( 7pz) 0.00000 0.00000 0.00000 186. S 3( 3d1) 0.00409 0.00358 -0.00051 187. S 3( 4d1) 0.00006 0.00006 0.00001 188. S 3( 5d1) 0.00001 0.00001 0.00000 189. S 3( 6d1) 0.00000 0.00000 0.00000 190. S 3( 3d2) 0.00526 0.00383 -0.00143 191. S 3( 4d2) 0.00014 0.00019 0.00005 192. S 3( 5d2) 0.00001 0.00001 0.00000 193. S 3( 6d2) 0.00000 0.00000 0.00000 194. S 3( 3d3) 0.00496 0.00424 -0.00072 195. S 3( 4d3) 0.00008 0.00005 -0.00003 196. S 3( 5d3) 0.00001 0.00000 0.00000 197. S 3( 6d3) 0.00000 0.00000 0.00000 198. S 3( 3d4) 0.00697 0.00626 -0.00071 199. S 3( 4d4) 0.00008 0.00003 -0.00004 200. S 3( 5d4) 0.00001 0.00001 -0.00001 201. S 3( 6d4) 0.00000 0.00000 0.00000 202. S 3( 3d5) 0.00484 0.00486 0.00002 203. S 3( 4d5) 0.00010 0.00006 -0.00004 204. S 3( 5d5) 0.00001 0.00000 0.00000 205. S 3( 6d5) 0.00000 0.00000 0.00000 206. S 3( 4f1) 0.00012 0.00009 -0.00003 207. S 3( 5f1) 0.00001 0.00001 0.00000 208. S 3( 4f2) 0.00026 0.00024 -0.00002 209. S 3( 5f2) 0.00001 0.00001 -0.00001 210. S 3( 4f3) 0.00039 0.00032 -0.00007 211. S 3( 5f3) 0.00001 0.00001 0.00000 212. S 3( 4f4) 0.00024 0.00017 -0.00007 213. S 3( 5f4) 0.00002 0.00001 -0.00001 214. S 3( 4f5) 0.00025 0.00022 -0.00003 215. S 3( 5f5) 0.00001 0.00001 -0.00001 216. S 3( 4f6) 0.00035 0.00025 -0.00010 217. S 3( 5f6) 0.00002 0.00001 -0.00001 218. S 3( 4f7) 0.00024 0.00020 -0.00004 219. S 3( 5f7) 0.00001 0.00001 0.00000 220. S 3( 5g1) 0.00001 0.00001 0.00000 221. S 3( 5g2) 0.00002 0.00002 0.00000 222. S 3( 5g3) 0.00002 0.00001 0.00000 223. S 3( 5g4) 0.00003 0.00003 0.00000 224. S 3( 5g5) 0.00002 0.00002 0.00000 225. S 3( 5g6) 0.00002 0.00002 0.00000 226. S 3( 5g7) 0.00001 0.00001 0.00000 227. S 3( 5g8) 0.00003 0.00002 0.00000 228. S 3( 5g9) 0.00003 0.00002 0.00000 229. S 4( 1s ) 1.00000 1.00000 0.00000 230. S 4( 2s ) 1.00000 1.00000 0.00000 231. S 4( 3s ) 0.90102 0.89064 -0.01038 232. S 4( 4s ) 0.00211 0.00099 -0.00112 233. S 4( 5s ) 0.00002 0.00001 0.00000 234. S 4( 6s ) 0.00000 0.00000 0.00000 235. S 4( 7s ) 0.00000 0.00000 0.00000 236. S 4( 8s ) 0.00000 0.00000 0.00000 237. S 4( 9s ) 0.00000 0.00000 0.00000 238. S 4( 2px) 1.00000 1.00000 0.00000 239. S 4( 3px) 0.86058 0.86445 0.00387 240. S 4( 4px) 0.00119 0.00108 -0.00011 241. S 4( 5px) 0.00010 0.00013 0.00003 242. S 4( 6px) 0.00000 0.00001 0.00000 243. S 4( 7px) 0.00000 0.00000 0.00000 244. S 4( 2py) 1.00000 1.00000 0.00000 245. S 4( 3py) 0.73448 0.72201 -0.01247 246. S 4( 4py) 0.00066 0.00048 -0.00018 247. S 4( 5py) 0.00013 0.00013 0.00000 248. S 4( 6py) 0.00000 0.00001 0.00000 249. S 4( 7py) 0.00000 0.00000 0.00000 250. S 4( 2pz) 1.00000 1.00000 0.00000 251. S 4( 3pz) 0.48522 0.48568 0.00046 252. S 4( 4pz) 0.00259 0.00202 -0.00057 253. S 4( 5pz) 0.00010 0.00010 0.00000 254. S 4( 6pz) 0.00000 0.00000 0.00000 255. S 4( 7pz) 0.00000 0.00000 0.00000 256. S 4( 3d1) 0.00365 0.00372 0.00007 257. S 4( 4d1) 0.00008 0.00010 0.00001 258. S 4( 5d1) 0.00000 0.00000 0.00000 259. S 4( 6d1) 0.00000 0.00000 0.00000 260. S 4( 3d2) 0.00390 0.00344 -0.00046 261. S 4( 4d2) 0.00007 0.00004 -0.00003 262. S 4( 5d2) 0.00001 0.00000 0.00000 263. S 4( 6d2) 0.00000 0.00000 0.00000 264. S 4( 3d3) 0.00868 0.00674 -0.00193 265. S 4( 4d3) 0.00004 0.00004 0.00000 266. S 4( 5d3) 0.00001 0.00001 0.00000 267. S 4( 6d3) 0.00000 0.00000 0.00000 268. S 4( 3d4) 0.00246 0.00235 -0.00011 269. S 4( 4d4) 0.00002 0.00003 0.00001 270. S 4( 5d4) 0.00001 0.00001 0.00000 271. S 4( 6d4) 0.00000 0.00000 0.00000 272. S 4( 3d5) 0.00674 0.00312 -0.00362 273. S 4( 4d5) 0.00004 0.00006 0.00002 274. S 4( 5d5) 0.00001 0.00001 0.00000 275. S 4( 6d5) 0.00000 0.00000 0.00000 276. S 4( 4f1) 0.00025 0.00021 -0.00003 277. S 4( 5f1) 0.00001 0.00001 0.00000 278. S 4( 4f2) 0.00038 0.00035 -0.00004 279. S 4( 5f2) 0.00002 0.00002 0.00000 280. S 4( 4f3) 0.00059 0.00050 -0.00009 281. S 4( 5f3) 0.00002 0.00001 0.00000 282. S 4( 4f4) 0.00010 0.00008 -0.00002 283. S 4( 5f4) 0.00001 0.00001 0.00000 284. S 4( 4f5) 0.00030 0.00027 -0.00003 285. S 4( 5f5) 0.00001 0.00001 0.00000 286. S 4( 4f6) 0.00011 0.00011 0.00000 287. S 4( 5f6) 0.00000 0.00000 0.00000 288. S 4( 4f7) 0.00011 0.00010 -0.00001 289. S 4( 5f7) 0.00000 0.00000 0.00000 290. S 4( 5g1) 0.00002 0.00002 0.00000 291. S 4( 5g2) 0.00002 0.00002 0.00000 292. S 4( 5g3) 0.00004 0.00004 0.00000 293. S 4( 5g4) 0.00003 0.00003 0.00000 294. S 4( 5g5) 0.00004 0.00004 0.00000 295. S 4( 5g6) 0.00002 0.00001 -0.00001 296. S 4( 5g7) 0.00001 0.00000 0.00000 297. S 4( 5g8) 0.00000 0.00000 0.00000 298. S 4( 5g9) 0.00000 0.00000 0.00000 299. S 5( 1s ) 1.00000 1.00000 0.00000 300. S 5( 2s ) 1.00000 1.00000 0.00000 301. S 5( 3s ) 0.89610 0.89496 -0.00114 302. S 5( 4s ) 0.00204 0.00093 -0.00111 303. S 5( 6s ) 0.00005 0.00004 -0.00002 304. S 5( 5s ) 0.00000 0.00000 0.00000 305. S 5( 7s ) 0.00000 0.00000 0.00000 306. S 5( 9s ) 0.00000 0.00000 0.00000 307. S 5( 8s ) 0.00000 0.00000 0.00000 308. S 5( 2px) 1.00000 1.00000 0.00000 309. S 5( 3px) 0.58360 0.54133 -0.04227 310. S 5( 4px) 0.00201 0.00147 -0.00054 311. S 5( 5px) 0.00013 0.00019 0.00006 312. S 5( 6px) 0.00001 0.00000 0.00000 313. S 5( 7px) 0.00000 0.00000 0.00000 314. S 5( 2py) 1.00000 1.00000 0.00000 315. S 5( 3py) 0.84916 0.65292 -0.19624 316. S 5( 4py) 0.00145 0.00051 -0.00094 317. S 5( 5py) 0.00011 0.00013 0.00003 318. S 5( 6py) 0.00000 0.00001 0.00000 319. S 5( 7py) 0.00000 0.00000 0.00000 320. S 5( 2pz) 1.00000 1.00000 0.00000 321. S 5( 3pz) 0.64962 0.56811 -0.08151 322. S 5( 4pz) 0.00140 0.00103 -0.00037 323. S 5( 5pz) 0.00012 0.00013 0.00001 324. S 5( 6pz) 0.00001 0.00001 0.00000 325. S 5( 7pz) 0.00000 0.00000 0.00000 326. S 5( 3d1) 0.00359 0.00298 -0.00061 327. S 5( 4d1) 0.00005 0.00008 0.00002 328. S 5( 5d1) 0.00001 0.00001 0.00000 329. S 5( 6d1) 0.00000 0.00000 0.00000 330. S 5( 3d2) 0.00580 0.00476 -0.00104 331. S 5( 4d2) 0.00014 0.00017 0.00003 332. S 5( 5d2) 0.00001 0.00001 0.00000 333. S 5( 6d2) 0.00000 0.00000 0.00000 334. S 5( 3d3) 0.00386 0.00339 -0.00047 335. S 5( 4d3) 0.00005 0.00005 -0.00001 336. S 5( 5d3) 0.00001 0.00000 0.00000 337. S 5( 6d3) 0.00000 0.00000 0.00000 338. S 5( 3d4) 0.00665 0.00573 -0.00091 339. S 5( 4d4) 0.00008 0.00003 -0.00005 340. S 5( 5d4) 0.00001 0.00001 0.00000 341. S 5( 6d4) 0.00000 0.00000 0.00000 342. S 5( 3d5) 0.00621 0.00601 -0.00021 343. S 5( 4d5) 0.00011 0.00006 -0.00005 344. S 5( 5d5) 0.00001 0.00001 0.00000 345. S 5( 6d5) 0.00000 0.00000 0.00000 346. S 5( 4f1) 0.00016 0.00013 -0.00003 347. S 5( 5f1) 0.00002 0.00002 0.00000 348. S 5( 4f2) 0.00032 0.00026 -0.00006 349. S 5( 5f2) 0.00001 0.00001 0.00000 350. S 5( 4f3) 0.00032 0.00027 -0.00005 351. S 5( 5f3) 0.00001 0.00001 0.00000 352. S 5( 4f4) 0.00019 0.00015 -0.00004 353. S 5( 5f4) 0.00002 0.00001 -0.00001 354. S 5( 4f5) 0.00020 0.00019 -0.00001 355. S 5( 5f5) 0.00001 0.00001 -0.00001 356. S 5( 4f6) 0.00037 0.00027 -0.00010 357. S 5( 5f6) 0.00001 0.00001 -0.00001 358. S 5( 4f7) 0.00030 0.00023 -0.00007 359. S 5( 5f7) 0.00001 0.00001 -0.00001 360. S 5( 5g1) 0.00001 0.00001 0.00000 361. S 5( 5g2) 0.00003 0.00003 0.00000 362. S 5( 5g3) 0.00002 0.00002 0.00000 363. S 5( 5g4) 0.00002 0.00002 0.00000 364. S 5( 5g5) 0.00002 0.00002 0.00000 365. S 5( 5g6) 0.00001 0.00001 0.00000 366. S 5( 5g7) 0.00001 0.00001 0.00000 367. S 5( 5g8) 0.00003 0.00003 0.00000 368. S 5( 5g9) 0.00003 0.00003 0.00000 369. S 6( 1s ) 1.00000 1.00000 0.00000 370. S 6( 2s ) 1.00000 1.00000 0.00000 371. S 6( 3s ) 0.88612 0.94844 0.06232 372. S 6( 4s ) 0.00145 0.00034 -0.00111 373. S 6( 5s ) 0.00004 0.00004 0.00000 374. S 6( 6s ) 0.00000 0.00001 0.00000 375. S 6( 7s ) 0.00000 0.00001 0.00001 376. S 6( 9s ) 0.00000 0.00000 0.00000 377. S 6( 8s ) 0.00000 0.00000 0.00000 378. S 6( 2px) 1.00000 1.00000 0.00000 379. S 6( 3px) 0.50767 0.51869 0.01101 380. S 6( 4px) 0.00156 0.00067 -0.00089 381. S 6( 5px) 0.00008 0.00019 0.00011 382. S 6( 6px) 0.00001 0.00002 0.00002 383. S 6( 7px) 0.00000 0.00000 0.00000 384. S 6( 2py) 1.00000 1.00000 0.00000 385. S 6( 3py) 0.78707 0.62567 -0.16140 386. S 6( 4py) 0.00161 0.00043 -0.00118 387. S 6( 5py) 0.00011 0.00018 0.00006 388. S 6( 6py) 0.00000 0.00001 0.00000 389. S 6( 7py) 0.00000 0.00000 0.00000 390. S 6( 2pz) 1.00000 1.00000 0.00000 391. S 6( 3pz) 0.82721 0.72188 -0.10533 392. S 6( 4pz) 0.00108 0.00084 -0.00024 393. S 6( 5pz) 0.00012 0.00016 0.00004 394. S 6( 6pz) 0.00001 0.00001 0.00000 395. S 6( 7pz) 0.00000 0.00000 0.00000 396. S 6( 3d1) 0.00356 0.00218 -0.00138 397. S 6( 4d1) 0.00020 0.00010 -0.00009 398. S 6( 5d1) 0.00000 0.00000 0.00000 399. S 6( 6d1) 0.00000 0.00000 0.00000 400. S 6( 3d2) 0.00310 0.00161 -0.00149 401. S 6( 4d2) 0.00045 0.00044 -0.00001 402. S 6( 5d2) 0.00001 0.00000 0.00000 403. S 6( 6d2) 0.00000 0.00000 0.00000 404. S 6( 3d3) 0.00340 0.00061 -0.00279 405. S 6( 4d3) 0.00038 0.00015 -0.00023 406. S 6( 5d3) 0.00001 0.00001 0.00000 407. S 6( 6d3) 0.00000 0.00000 0.00000 408. S 6( 3d4) 0.00468 0.00177 -0.00291 409. S 6( 4d4) 0.00037 0.00035 -0.00002 410. S 6( 5d4) 0.00001 0.00000 0.00000 411. S 6( 6d4) 0.00000 0.00000 0.00000 412. S 6( 3d5) 0.00232 0.00084 -0.00148 413. S 6( 4d5) 0.00032 0.00020 -0.00012 414. S 6( 5d5) 0.00000 0.00001 0.00000 415. S 6( 6d5) 0.00000 0.00000 0.00000 416. S 6( 4f1) 0.00007 0.00006 -0.00001 417. S 6( 5f1) 0.00003 0.00001 -0.00002 418. S 6( 4f2) 0.00014 0.00014 0.00000 419. S 6( 5f2) 0.00003 0.00001 -0.00002 420. S 6( 4f3) 0.00016 0.00003 -0.00012 421. S 6( 5f3) 0.00002 0.00000 -0.00002 422. S 6( 4f4) 0.00015 0.00013 -0.00002 423. S 6( 5f4) 0.00004 0.00001 -0.00002 424. S 6( 4f5) 0.00012 0.00004 -0.00008 425. S 6( 5f5) 0.00001 0.00000 -0.00001 426. S 6( 4f6) 0.00024 0.00026 0.00002 427. S 6( 5f6) 0.00002 0.00001 -0.00001 428. S 6( 4f7) 0.00017 0.00017 0.00000 429. S 6( 5f7) 0.00003 0.00001 -0.00002 430. S 6( 5g1) 0.00001 0.00001 -0.00001 431. S 6( 5g2) 0.00001 0.00001 0.00000 432. S 6( 5g3) 0.00001 0.00000 -0.00001 433. S 6( 5g4) 0.00002 0.00001 -0.00001 434. S 6( 5g5) 0.00001 0.00000 -0.00001 435. S 6( 5g6) 0.00001 0.00000 -0.00001 436. S 6( 5g7) 0.00000 0.00000 0.00000 437. S 6( 5g8) 0.00002 0.00001 0.00000 438. S 6( 5g9) 0.00002 0.00001 0.00000 439. C 7( 1s ) 0.99999 0.99999 0.00000 440. C 7( 2s ) 0.60302 0.60306 0.00004 441. C 7( 3s ) 0.00112 0.00103 -0.00009 442. C 7( 4s ) 0.00002 0.00002 0.00000 443. C 7( 5s ) 0.00000 0.00000 0.00000 444. C 7( 6s ) 0.00000 0.00000 0.00000 445. C 7( 7s ) 0.00000 0.00000 0.00000 446. C 7( 2px) 0.61620 0.61690 0.00070 447. C 7( 3px) 0.00037 0.00033 -0.00004 448. C 7( 4px) 0.00007 0.00008 0.00000 449. C 7( 5px) 0.00000 0.00000 0.00000 450. C 7( 2py) 0.61936 0.62014 0.00079 451. C 7( 3py) 0.00034 0.00034 0.00000 452. C 7( 4py) 0.00004 0.00004 0.00001 453. C 7( 5py) 0.00000 0.00000 0.00000 454. C 7( 2pz) 0.62224 0.62276 0.00052 455. C 7( 3pz) 0.00092 0.00095 0.00003 456. C 7( 4pz) 0.00006 0.00007 0.00001 457. C 7( 5pz) 0.00000 0.00000 0.00000 458. C 7( 3d1) 0.00094 0.00094 0.00000 459. C 7( 4d1) 0.00002 0.00002 0.00000 460. C 7( 5d1) 0.00000 0.00000 0.00000 461. C 7( 3d2) 0.00119 0.00114 -0.00006 462. C 7( 4d2) 0.00005 0.00005 0.00000 463. C 7( 5d2) 0.00000 0.00000 0.00000 464. C 7( 3d3) 0.00066 0.00064 -0.00002 465. C 7( 4d3) 0.00007 0.00007 0.00000 466. C 7( 5d3) 0.00000 0.00000 0.00000 467. C 7( 3d4) 0.00086 0.00084 -0.00003 468. C 7( 4d4) 0.00003 0.00002 0.00000 469. C 7( 5d4) 0.00000 0.00000 0.00000 470. C 7( 3d5) 0.00123 0.00121 -0.00002 471. C 7( 4d5) 0.00009 0.00009 0.00000 472. C 7( 5d5) 0.00000 0.00000 0.00000 473. C 7( 4f1) 0.00014 0.00014 0.00000 474. C 7( 5f1) 0.00001 0.00001 0.00000 475. C 7( 4f2) 0.00020 0.00020 0.00000 476. C 7( 5f2) 0.00001 0.00001 0.00000 477. C 7( 4f3) 0.00007 0.00007 0.00000 478. C 7( 5f3) 0.00001 0.00001 0.00000 479. C 7( 4f4) 0.00012 0.00012 0.00000 480. C 7( 5f4) 0.00000 0.00000 0.00000 481. C 7( 4f5) 0.00019 0.00019 0.00000 482. C 7( 5f5) 0.00000 0.00000 0.00000 483. C 7( 4f6) 0.00002 0.00002 0.00000 484. C 7( 5f6) 0.00000 0.00000 0.00000 485. C 7( 4f7) 0.00018 0.00018 0.00000 486. C 7( 5f7) 0.00000 0.00000 0.00000 487. C 7( 5g1) 0.00003 0.00003 0.00000 488. C 7( 5g2) 0.00006 0.00006 0.00000 489. C 7( 5g3) 0.00004 0.00004 0.00000 490. C 7( 5g4) 0.00004 0.00004 0.00000 491. C 7( 5g5) 0.00007 0.00007 0.00000 492. C 7( 5g6) 0.00005 0.00005 0.00000 493. C 7( 5g7) 0.00008 0.00008 0.00000 494. C 7( 5g8) 0.00005 0.00005 0.00000 495. C 7( 5g9) 0.00006 0.00006 0.00000 496. C 8( 1s ) 0.99999 0.99999 0.00000 497. C 8( 2s ) 0.60203 0.60177 -0.00026 498. C 8( 3s ) 0.00104 0.00102 -0.00002 499. C 8( 4s ) 0.00002 0.00002 0.00000 500. C 8( 6s ) 0.00000 0.00000 0.00000 501. C 8( 5s ) 0.00000 0.00000 0.00000 502. C 8( 7s ) 0.00000 0.00000 0.00000 503. C 8( 2px) 0.61922 0.61934 0.00012 504. C 8( 3px) 0.00072 0.00054 -0.00018 505. C 8( 4px) 0.00009 0.00006 -0.00003 506. C 8( 5px) 0.00000 0.00000 0.00000 507. C 8( 2py) 0.61656 0.61627 -0.00029 508. C 8( 3py) 0.00064 0.00071 0.00007 509. C 8( 4py) 0.00010 0.00011 0.00002 510. C 8( 5py) 0.00000 0.00000 0.00000 511. C 8( 2pz) 0.62307 0.62413 0.00105 512. C 8( 3pz) 0.00039 0.00038 -0.00001 513. C 8( 4pz) 0.00005 0.00004 -0.00001 514. C 8( 5pz) 0.00000 0.00000 0.00000 515. C 8( 3d1) 0.00043 0.00040 -0.00004 516. C 8( 4d1) 0.00010 0.00009 -0.00001 517. C 8( 5d1) 0.00000 0.00000 0.00000 518. C 8( 3d2) 0.00089 0.00086 -0.00003 519. C 8( 4d2) 0.00004 0.00004 -0.00001 520. C 8( 5d2) 0.00000 0.00000 0.00000 521. C 8( 3d3) 0.00119 0.00118 -0.00001 522. C 8( 4d3) 0.00004 0.00005 0.00000 523. C 8( 5d3) 0.00000 0.00000 0.00000 524. C 8( 3d4) 0.00160 0.00154 -0.00006 525. C 8( 4d4) 0.00003 0.00003 0.00000 526. C 8( 5d4) 0.00000 0.00000 0.00000 527. C 8( 3d5) 0.00083 0.00082 0.00000 528. C 8( 4d5) 0.00004 0.00004 0.00000 529. C 8( 5d5) 0.00000 0.00000 0.00000 530. C 8( 4f1) 0.00031 0.00031 0.00000 531. C 8( 5f1) 0.00000 0.00000 0.00000 532. C 8( 4f2) 0.00008 0.00008 0.00000 533. C 8( 5f2) 0.00000 0.00000 0.00000 534. C 8( 4f3) 0.00004 0.00004 0.00000 535. C 8( 5f3) 0.00001 0.00001 0.00000 536. C 8( 4f4) 0.00004 0.00003 0.00000 537. C 8( 5f4) 0.00001 0.00001 0.00000 538. C 8( 4f5) 0.00007 0.00007 0.00000 539. C 8( 5f5) 0.00000 0.00000 0.00000 540. C 8( 4f6) 0.00002 0.00002 0.00000 541. C 8( 5f6) 0.00001 0.00001 0.00000 542. C 8( 4f7) 0.00037 0.00036 0.00000 543. C 8( 5f7) 0.00000 0.00000 0.00000 544. C 8( 5g1) 0.00010 0.00010 0.00000 545. C 8( 5g2) 0.00007 0.00007 0.00000 546. C 8( 5g3) 0.00007 0.00007 0.00000 547. C 8( 5g4) 0.00001 0.00001 0.00000 548. C 8( 5g5) 0.00003 0.00003 0.00000 549. C 8( 5g6) 0.00001 0.00001 0.00000 550. C 8( 5g7) 0.00006 0.00006 0.00000 551. C 8( 5g8) 0.00008 0.00008 0.00000 552. C 8( 5g9) 0.00006 0.00006 0.00000 553. C 9( 1s ) 0.99999 0.99999 0.00000 554. C 9( 2s ) 0.60254 0.60203 -0.00051 555. C 9( 3s ) 0.00105 0.00100 -0.00005 556. C 9( 4s ) 0.00002 0.00002 0.00000 557. C 9( 5s ) 0.00000 0.00000 0.00000 558. C 9( 6s ) 0.00000 0.00000 0.00000 559. C 9( 7s ) 0.00000 0.00000 0.00000 560. C 9( 2px) 0.61757 0.61724 -0.00032 561. C 9( 3px) 0.00062 0.00059 -0.00003 562. C 9( 4px) 0.00008 0.00010 0.00002 563. C 9( 5px) 0.00000 0.00000 0.00000 564. C 9( 2py) 0.61882 0.61873 -0.00009 565. C 9( 3py) 0.00057 0.00055 -0.00002 566. C 9( 4py) 0.00004 0.00004 0.00000 567. C 9( 5py) 0.00000 0.00000 0.00000 568. C 9( 2pz) 0.62031 0.62058 0.00027 569. C 9( 3pz) 0.00037 0.00037 0.00000 570. C 9( 4pz) 0.00003 0.00003 0.00000 571. C 9( 5pz) 0.00000 0.00000 0.00000 572. C 9( 3d1) 0.00125 0.00123 -0.00002 573. C 9( 4d1) 0.00004 0.00004 0.00000 574. C 9( 5d1) 0.00000 0.00000 0.00000 575. C 9( 3d2) 0.00131 0.00131 0.00001 576. C 9( 4d2) 0.00004 0.00004 0.00000 577. C 9( 5d2) 0.00000 0.00000 0.00000 578. C 9( 3d3) 0.00097 0.00095 -0.00002 579. C 9( 4d3) 0.00006 0.00006 0.00000 580. C 9( 5d3) 0.00000 0.00000 0.00000 581. C 9( 3d4) 0.00063 0.00061 -0.00002 582. C 9( 4d4) 0.00008 0.00007 0.00000 583. C 9( 5d4) 0.00000 0.00000 0.00000 584. C 9( 3d5) 0.00067 0.00067 -0.00001 585. C 9( 4d5) 0.00005 0.00005 0.00000 586. C 9( 5d5) 0.00000 0.00000 0.00000 587. C 9( 4f1) 0.00022 0.00022 0.00000 588. C 9( 5f1) 0.00000 0.00000 0.00000 589. C 9( 4f2) 0.00012 0.00012 0.00000 590. C 9( 5f2) 0.00000 0.00000 0.00000 591. C 9( 4f3) 0.00006 0.00006 0.00000 592. C 9( 5f3) 0.00000 0.00000 0.00000 593. C 9( 4f4) 0.00004 0.00004 0.00000 594. C 9( 5f4) 0.00001 0.00001 0.00000 595. C 9( 4f5) 0.00013 0.00013 0.00000 596. C 9( 5f5) 0.00000 0.00000 0.00000 597. C 9( 4f6) 0.00006 0.00006 0.00000 598. C 9( 5f6) 0.00001 0.00001 0.00000 599. C 9( 4f7) 0.00028 0.00028 0.00000 600. C 9( 5f7) 0.00000 0.00000 0.00000 601. C 9( 5g1) 0.00007 0.00007 0.00000 602. C 9( 5g2) 0.00006 0.00006 0.00000 603. C 9( 5g3) 0.00006 0.00006 0.00000 604. C 9( 5g4) 0.00002 0.00002 0.00000 605. C 9( 5g5) 0.00005 0.00005 0.00000 606. C 9( 5g6) 0.00002 0.00002 0.00000 607. C 9( 5g7) 0.00006 0.00006 0.00000 608. C 9( 5g8) 0.00006 0.00006 0.00000 609. C 9( 5g9) 0.00007 0.00007 0.00000 610. P10( 1s ) 1.00000 1.00000 0.00000 611. P10( 2s ) 1.00000 1.00000 0.00000 612. P10( 3s ) 0.57337 0.58531 0.01195 613. P10( 4s ) 0.00233 0.00253 0.00020 614. P10( 5s ) 0.00005 0.00002 -0.00003 615. P10( 6s ) 0.00000 0.00000 0.00000 616. P10( 7s ) 0.00000 0.00000 0.00000 617. P10( 9s ) 0.00000 0.00000 0.00000 618. P10( 8s ) 0.00000 0.00000 0.00000 619. P10( 2px) 1.00000 1.00000 0.00000 620. P10( 3px) 0.48942 0.49879 0.00937 621. P10( 4px) 0.00193 0.00175 -0.00018 622. P10( 5px) 0.00010 0.00007 -0.00003 623. P10( 6px) 0.00001 0.00001 0.00000 624. P10( 7px) 0.00000 0.00000 0.00000 625. P10( 2py) 1.00000 1.00000 0.00000 626. P10( 3py) 0.41248 0.41943 0.00695 627. P10( 4py) 0.00288 0.00239 -0.00050 628. P10( 5py) 0.00004 0.00003 -0.00001 629. P10( 6py) 0.00002 0.00002 0.00000 630. P10( 7py) 0.00000 0.00000 0.00000 631. P10( 2pz) 1.00000 1.00000 0.00000 632. P10( 3pz) 0.36370 0.36504 0.00134 633. P10( 4pz) 0.00160 0.00133 -0.00027 634. P10( 5pz) 0.00007 0.00004 -0.00003 635. P10( 6pz) 0.00002 0.00002 0.00000 636. P10( 7pz) 0.00000 0.00000 0.00000 637. P10( 3d1) 0.00309 0.00301 -0.00008 638. P10( 4d1) 0.00107 0.00095 -0.00012 639. P10( 5d1) 0.00003 0.00003 0.00000 640. P10( 6d1) 0.00000 0.00000 0.00000 641. P10( 3d2) 0.00508 0.00551 0.00043 642. P10( 4d2) 0.00033 0.00027 -0.00006 643. P10( 5d2) 0.00003 0.00002 -0.00001 644. P10( 6d2) 0.00000 0.00000 0.00000 645. P10( 3d3) 0.00420 0.00413 -0.00007 646. P10( 4d3) 0.00038 0.00019 -0.00020 647. P10( 5d3) 0.00002 0.00003 0.00000 648. P10( 6d3) 0.00000 0.00000 0.00000 649. P10( 3d4) 0.00513 0.00516 0.00004 650. P10( 4d4) 0.00040 0.00030 -0.00010 651. P10( 5d4) 0.00003 0.00004 0.00000 652. P10( 6d4) 0.00000 0.00000 0.00000 653. P10( 3d5) 0.00307 0.00317 0.00010 654. P10( 4d5) 0.00063 0.00060 -0.00003 655. P10( 5d5) 0.00002 0.00002 0.00000 656. P10( 6d5) 0.00000 0.00000 0.00000 657. P10( 4f1) 0.00020 0.00019 -0.00001 658. P10( 5f1) 0.00003 0.00003 0.00000 659. P10( 4f2) 0.00025 0.00026 0.00001 660. P10( 5f2) 0.00003 0.00003 0.00000 661. P10( 4f3) 0.00012 0.00013 0.00000 662. P10( 5f3) 0.00002 0.00002 0.00000 663. P10( 4f4) 0.00023 0.00019 -0.00005 664. P10( 5f4) 0.00002 0.00002 0.00000 665. P10( 4f5) 0.00023 0.00022 -0.00002 666. P10( 5f5) 0.00003 0.00003 0.00000 667. P10( 4f6) 0.00020 0.00018 -0.00001 668. P10( 5f6) 0.00004 0.00004 0.00000 669. P10( 4f7) 0.00029 0.00030 0.00001 670. P10( 5f7) 0.00006 0.00005 0.00000 671. P10( 5g1) 0.00002 0.00002 0.00000 672. P10( 5g2) 0.00001 0.00002 0.00000 673. P10( 5g3) 0.00001 0.00001 0.00000 674. P10( 5g4) 0.00001 0.00001 0.00000 675. P10( 5g5) 0.00003 0.00002 0.00000 676. P10( 5g6) 0.00001 0.00001 0.00000 677. P10( 5g7) 0.00002 0.00002 0.00000 678. P10( 5g8) 0.00003 0.00003 0.00000 679. P10( 5g9) 0.00004 0.00004 0.00000 680. C11( 1s ) 0.99999 0.99999 0.00000 681. C11( 2s ) 0.50603 0.50589 -0.00013 682. C11( 3s ) 0.00144 0.00108 -0.00036 683. C11( 4s ) 0.00004 0.00005 0.00001 684. C11( 5s ) 0.00000 0.00000 0.00000 685. C11( 6s ) 0.00000 0.00000 0.00000 686. C11( 7s ) 0.00000 0.00000 0.00000 687. C11( 2px) 0.59905 0.59949 0.00044 688. C11( 3px) 0.00236 0.00232 -0.00004 689. C11( 4px) 0.00019 0.00016 -0.00003 690. C11( 5px) 0.00002 0.00003 0.00000 691. C11( 2py) 0.51613 0.52837 0.01224 692. C11( 3py) 0.00188 0.00131 -0.00057 693. C11( 4py) 0.00035 0.00025 -0.00009 694. C11( 5py) 0.00001 0.00000 0.00000 695. C11( 2pz) 0.50254 0.50493 0.00239 696. C11( 3pz) 0.00311 0.00306 -0.00005 697. C11( 4pz) 0.00010 0.00043 0.00033 698. C11( 5pz) 0.00003 0.00003 0.00000 699. C11( 3d1) 0.00118 0.00118 -0.00001 700. C11( 4d1) 0.00005 0.00003 -0.00001 701. C11( 5d1) 0.00001 0.00000 0.00000 702. C11( 3d2) 0.00061 0.00060 -0.00001 703. C11( 4d2) 0.00015 0.00015 0.00000 704. C11( 5d2) 0.00000 0.00001 0.00000 705. C11( 3d3) 0.00013 0.00022 0.00009 706. C11( 4d3) 0.00023 0.00028 0.00005 707. C11( 5d3) 0.00000 0.00000 0.00000 708. C11( 3d4) 0.00093 0.00082 -0.00011 709. C11( 4d4) 0.00024 0.00023 0.00000 710. C11( 5d4) 0.00001 0.00001 0.00000 711. C11( 3d5) 0.00031 0.00027 -0.00004 712. C11( 4d5) 0.00038 0.00037 -0.00001 713. C11( 5d5) 0.00000 0.00000 0.00000 714. C11( 4f1) 0.00019 0.00019 0.00000 715. C11( 5f1) 0.00001 0.00001 0.00000 716. C11( 4f2) 0.00035 0.00035 0.00000 717. C11( 5f2) 0.00001 0.00001 0.00000 718. C11( 4f3) 0.00007 0.00008 0.00001 719. C11( 5f3) 0.00000 0.00000 0.00000 720. C11( 4f4) 0.00017 0.00016 -0.00001 721. C11( 5f4) 0.00001 0.00001 0.00000 722. C11( 4f5) 0.00005 0.00006 0.00000 723. C11( 5f5) 0.00001 0.00001 0.00000 724. C11( 4f6) 0.00038 0.00038 0.00000 725. C11( 5f6) 0.00000 0.00000 0.00000 726. C11( 4f7) 0.00043 0.00044 0.00001 727. C11( 5f7) 0.00000 0.00000 0.00000 728. C11( 5g1) 0.00005 0.00005 0.00000 729. C11( 5g2) 0.00009 0.00009 0.00000 730. C11( 5g3) 0.00000 0.00000 0.00000 731. C11( 5g4) 0.00006 0.00006 0.00000 732. C11( 5g5) 0.00007 0.00007 0.00000 733. C11( 5g6) 0.00001 0.00001 0.00000 734. C11( 5g7) 0.00000 0.00000 0.00000 735. C11( 5g8) 0.00002 0.00001 0.00000 736. C11( 5g9) 0.00002 0.00002 0.00000 737. C12( 1s ) 0.99999 0.99999 0.00000 738. C12( 2s ) 0.50554 0.50918 0.00364 739. C12( 4s ) 0.00114 0.00074 -0.00041 740. C12( 3s ) 0.00003 0.00010 0.00007 741. C12( 5s ) 0.00000 0.00000 0.00000 742. C12( 6s ) 0.00000 0.00000 0.00000 743. C12( 7s ) 0.00000 0.00000 0.00000 744. C12( 2px) 0.50980 0.51001 0.00020 745. C12( 4px) 0.00283 0.00254 -0.00029 746. C12( 3px) 0.00013 0.00008 -0.00004 747. C12( 5px) 0.00003 0.00003 0.00000 748. C12( 2py) 0.49966 0.60537 0.10571 749. C12( 4py) 0.00124 0.00355 0.00231 750. C12( 3py) 0.00023 0.00083 0.00060 751. C12( 5py) 0.00001 0.00001 0.00000 752. C12( 2pz) 0.59003 0.59334 0.00331 753. C12( 4pz) 0.00236 0.00247 0.00011 754. C12( 3pz) 0.00017 0.00053 0.00036 755. C12( 5pz) 0.00002 0.00002 0.00000 756. C12( 3d1) 0.00021 0.00020 -0.00001 757. C12( 4d1) 0.00026 0.00027 0.00001 758. C12( 5d1) 0.00000 0.00000 0.00000 759. C12( 3d2) 0.00059 0.00057 -0.00003 760. C12( 4d2) 0.00018 0.00018 0.00000 761. C12( 5d2) 0.00001 0.00001 0.00000 762. C12( 3d3) 0.00137 0.00124 -0.00013 763. C12( 4d3) 0.00007 0.00006 -0.00001 764. C12( 5d3) 0.00000 0.00001 0.00001 765. C12( 3d4) 0.00067 0.00053 -0.00014 766. C12( 4d4) 0.00028 0.00028 0.00001 767. C12( 5d4) 0.00001 0.00001 0.00000 768. C12( 3d5) 0.00058 0.00058 0.00000 769. C12( 4d5) 0.00028 0.00028 0.00000 770. C12( 5d5) 0.00001 0.00001 0.00000 771. C12( 4f1) 0.00033 0.00032 -0.00001 772. C12( 5f1) 0.00001 0.00001 0.00000 773. C12( 4f2) 0.00027 0.00027 0.00001 774. C12( 5f2) 0.00001 0.00001 0.00000 775. C12( 4f3) 0.00032 0.00034 0.00002 776. C12( 5f3) 0.00000 0.00000 0.00000 777. C12( 4f4) 0.00022 0.00022 0.00001 778. C12( 5f4) 0.00001 0.00001 0.00000 779. C12( 4f5) 0.00007 0.00007 0.00000 780. C12( 5f5) 0.00000 0.00000 0.00000 781. C12( 4f6) 0.00017 0.00017 0.00000 782. C12( 5f6) 0.00001 0.00001 0.00000 783. C12( 4f7) 0.00016 0.00020 0.00004 784. C12( 5f7) 0.00001 0.00001 0.00000 785. C12( 5g1) 0.00006 0.00006 0.00000 786. C12( 5g2) 0.00009 0.00009 0.00000 787. C12( 5g3) 0.00003 0.00004 0.00001 788. C12( 5g4) 0.00005 0.00005 0.00000 789. C12( 5g5) 0.00003 0.00004 0.00001 790. C12( 5g6) 0.00002 0.00002 0.00000 791. C12( 5g7) 0.00002 0.00002 0.00000 792. C12( 5g8) 0.00001 0.00001 0.00000 793. C12( 5g9) 0.00001 0.00001 0.00000 794. C13( 1s ) 0.99999 0.99999 0.00000 795. C13( 2s ) 0.50174 0.50330 0.00156 796. C13( 3s ) 0.00150 0.00121 -0.00029 797. C13( 4s ) 0.00004 0.00004 0.00001 798. C13( 5s ) 0.00000 0.00000 0.00000 799. C13( 6s ) 0.00000 0.00000 0.00000 800. C13( 7s ) 0.00000 0.00000 0.00000 801. C13( 2px) 0.57150 0.57331 0.00182 802. C13( 3px) 0.00243 0.00245 0.00002 803. C13( 4px) 0.00017 0.00018 0.00001 804. C13( 5px) 0.00002 0.00002 0.00000 805. C13( 2py) 0.52777 0.52238 -0.00540 806. C13( 3py) 0.00160 0.00193 0.00033 807. C13( 4py) 0.00020 0.00035 0.00015 808. C13( 5py) 0.00001 0.00001 0.00000 809. C13( 2pz) 0.52320 0.52969 0.00649 810. C13( 3pz) 0.00254 0.00266 0.00013 811. C13( 4pz) 0.00010 0.00034 0.00024 812. C13( 5pz) 0.00003 0.00003 0.00000 813. C13( 3d1) 0.00109 0.00103 -0.00005 814. C13( 4d1) 0.00011 0.00014 0.00003 815. C13( 5d1) 0.00001 0.00001 0.00000 816. C13( 3d2) 0.00034 0.00035 0.00001 817. C13( 4d2) 0.00036 0.00036 0.00000 818. C13( 5d2) 0.00000 0.00000 0.00000 819. C13( 3d3) 0.00048 0.00045 -0.00003 820. C13( 4d3) 0.00020 0.00022 0.00002 821. C13( 5d3) 0.00000 0.00000 0.00000 822. C13( 3d4) 0.00094 0.00093 -0.00001 823. C13( 4d4) 0.00017 0.00019 0.00002 824. C13( 5d4) 0.00001 0.00001 0.00000 825. C13( 3d5) 0.00072 0.00069 -0.00004 826. C13( 4d5) 0.00019 0.00018 0.00000 827. C13( 5d5) 0.00001 0.00000 0.00000 828. C13( 4f1) 0.00025 0.00025 0.00000 829. C13( 5f1) 0.00001 0.00001 0.00000 830. C13( 4f2) 0.00019 0.00020 0.00001 831. C13( 5f2) 0.00001 0.00001 0.00000 832. C13( 4f3) 0.00011 0.00013 0.00002 833. C13( 5f3) 0.00001 0.00001 0.00000 834. C13( 4f4) 0.00030 0.00030 0.00000 835. C13( 5f4) 0.00001 0.00001 0.00000 836. C13( 4f5) 0.00012 0.00012 0.00000 837. C13( 5f5) 0.00000 0.00000 0.00000 838. C13( 4f6) 0.00023 0.00023 0.00000 839. C13( 5f6) 0.00000 0.00001 0.00000 840. C13( 4f7) 0.00033 0.00031 -0.00001 841. C13( 5f7) 0.00000 0.00001 0.00000 842. C13( 5g1) 0.00006 0.00006 0.00000 843. C13( 5g2) 0.00007 0.00007 0.00000 844. C13( 5g3) 0.00003 0.00003 0.00000 845. C13( 5g4) 0.00003 0.00004 0.00000 846. C13( 5g5) 0.00000 0.00000 0.00000 847. C13( 5g6) 0.00003 0.00003 0.00000 848. C13( 5g7) 0.00005 0.00005 0.00000 849. C13( 5g8) 0.00001 0.00001 0.00000 850. C13( 5g9) 0.00000 0.00000 0.00000 851. C14( 1s ) 0.99999 0.99999 0.00000 852. C14( 2s ) 0.50191 0.50404 0.00214 853. C14( 3s ) 0.00157 0.00119 -0.00038 854. C14( 4s ) 0.00004 0.00006 0.00002 855. C14( 5s ) 0.00000 0.00000 0.00000 856. C14( 6s ) 0.00000 0.00000 0.00000 857. C14( 7s ) 0.00000 0.00000 0.00000 858. C14( 2px) 0.55976 0.56220 0.00244 859. C14( 3px) 0.00256 0.00253 -0.00002 860. C14( 4px) 0.00016 0.00016 0.00001 861. C14( 5px) 0.00002 0.00003 0.00000 862. C14( 2py) 0.52580 0.52974 0.00393 863. C14( 3py) 0.00176 0.00223 0.00047 864. C14( 4py) 0.00023 0.00054 0.00030 865. C14( 5py) 0.00001 0.00001 0.00000 866. C14( 2pz) 0.53858 0.54451 0.00593 867. C14( 3pz) 0.00252 0.00272 0.00020 868. C14( 4pz) 0.00010 0.00028 0.00018 869. C14( 5pz) 0.00003 0.00003 0.00000 870. C14( 3d1) 0.00095 0.00087 -0.00007 871. C14( 4d1) 0.00014 0.00017 0.00004 872. C14( 5d1) 0.00000 0.00001 0.00000 873. C14( 3d2) 0.00025 0.00026 0.00000 874. C14( 4d2) 0.00040 0.00040 0.00000 875. C14( 5d2) 0.00000 0.00000 0.00000 876. C14( 3d3) 0.00064 0.00065 0.00002 877. C14( 4d3) 0.00018 0.00018 -0.00001 878. C14( 5d3) 0.00000 0.00000 0.00000 879. C14( 3d4) 0.00101 0.00093 -0.00008 880. C14( 4d4) 0.00017 0.00019 0.00002 881. C14( 5d4) 0.00001 0.00001 0.00000 882. C14( 3d5) 0.00077 0.00072 -0.00006 883. C14( 4d5) 0.00017 0.00017 0.00000 884. C14( 5d5) 0.00001 0.00001 0.00000 885. C14( 4f1) 0.00024 0.00024 0.00000 886. C14( 5f1) 0.00001 0.00001 0.00000 887. C14( 4f2) 0.00026 0.00027 0.00000 888. C14( 5f2) 0.00001 0.00001 0.00000 889. C14( 4f3) 0.00014 0.00017 0.00003 890. C14( 5f3) 0.00001 0.00001 0.00000 891. C14( 4f4) 0.00032 0.00032 0.00000 892. C14( 5f4) 0.00001 0.00001 0.00000 893. C14( 4f5) 0.00012 0.00012 0.00000 894. C14( 5f5) 0.00000 0.00000 0.00000 895. C14( 4f6) 0.00020 0.00021 0.00000 896. C14( 5f6) 0.00001 0.00001 0.00000 897. C14( 4f7) 0.00025 0.00024 -0.00001 898. C14( 5f7) 0.00000 0.00001 0.00000 899. C14( 5g1) 0.00006 0.00006 0.00000 900. C14( 5g2) 0.00007 0.00008 0.00000 901. C14( 5g3) 0.00002 0.00002 0.00000 902. C14( 5g4) 0.00004 0.00004 0.00000 903. C14( 5g5) 0.00003 0.00003 0.00000 904. C14( 5g6) 0.00002 0.00002 0.00000 905. C14( 5g7) 0.00004 0.00004 0.00000 906. C14( 5g8) 0.00001 0.00001 0.00000 907. C14( 5g9) 0.00000 0.00000 0.00000 908. C15( 1s ) 0.99999 0.99999 0.00000 909. C15( 2s ) 0.50562 0.50894 0.00332 910. C15( 4s ) 0.00117 0.00078 -0.00039 911. C15( 3s ) 0.00004 0.00011 0.00007 912. C15( 5s ) 0.00000 0.00000 0.00000 913. C15( 6s ) 0.00000 0.00000 0.00000 914. C15( 7s ) 0.00000 0.00000 0.00000 915. C15( 2px) 0.51691 0.51747 0.00056 916. C15( 4px) 0.00284 0.00255 -0.00029 917. C15( 3px) 0.00014 0.00010 -0.00005 918. C15( 5px) 0.00003 0.00003 0.00000 919. C15( 2py) 0.49409 0.60095 0.10686 920. C15( 4py) 0.00125 0.00346 0.00221 921. C15( 3py) 0.00024 0.00087 0.00063 922. C15( 5py) 0.00001 0.00001 0.00000 923. C15( 2pz) 0.58580 0.58656 0.00076 924. C15( 4pz) 0.00243 0.00247 0.00004 925. C15( 3pz) 0.00014 0.00035 0.00021 926. C15( 5pz) 0.00002 0.00002 0.00000 927. C15( 3d1) 0.00036 0.00035 -0.00002 928. C15( 4d1) 0.00024 0.00025 0.00002 929. C15( 5d1) 0.00000 0.00000 0.00000 930. C15( 3d2) 0.00042 0.00040 -0.00002 931. C15( 4d2) 0.00027 0.00027 0.00000 932. C15( 5d2) 0.00001 0.00001 0.00000 933. C15( 3d3) 0.00117 0.00108 -0.00009 934. C15( 4d3) 0.00009 0.00007 -0.00001 935. C15( 5d3) 0.00001 0.00001 0.00000 936. C15( 3d4) 0.00078 0.00063 -0.00015 937. C15( 4d4) 0.00026 0.00026 0.00000 938. C15( 5d4) 0.00001 0.00001 0.00000 939. C15( 3d5) 0.00064 0.00061 -0.00002 940. C15( 4d5) 0.00023 0.00023 0.00000 941. C15( 5d5) 0.00001 0.00001 0.00000 942. C15( 4f1) 0.00028 0.00027 -0.00001 943. C15( 5f1) 0.00001 0.00001 0.00000 944. C15( 4f2) 0.00037 0.00037 0.00001 945. C15( 5f2) 0.00001 0.00001 0.00000 946. C15( 4f3) 0.00023 0.00026 0.00003 947. C15( 5f3) 0.00000 0.00000 0.00000 948. C15( 4f4) 0.00026 0.00025 0.00000 949. C15( 5f4) 0.00001 0.00001 0.00000 950. C15( 4f5) 0.00008 0.00008 0.00000 951. C15( 5f5) 0.00000 0.00000 0.00000 952. C15( 4f6) 0.00017 0.00017 0.00000 953. C15( 5f6) 0.00001 0.00001 0.00000 954. C15( 4f7) 0.00015 0.00019 0.00003 955. C15( 5f7) 0.00001 0.00001 0.00000 956. C15( 5g1) 0.00005 0.00005 0.00000 957. C15( 5g2) 0.00011 0.00011 0.00000 958. C15( 5g3) 0.00001 0.00001 0.00000 959. C15( 5g4) 0.00005 0.00005 0.00000 960. C15( 5g5) 0.00006 0.00008 0.00002 961. C15( 5g6) 0.00001 0.00001 0.00000 962. C15( 5g7) 0.00000 0.00001 0.00000 963. C15( 5g8) 0.00001 0.00001 0.00000 964. C15( 5g9) 0.00001 0.00001 0.00000 965. H16( 1s ) 0.38787 0.38816 0.00029 966. H16( 3s ) 0.00037 0.00044 0.00007 967. H16( 2s ) 0.00009 0.00010 0.00002 968. H16( 4s ) 0.00000 0.00000 0.00000 969. H16( 2px) 0.00044 0.00045 0.00001 970. H16( 3px) 0.00001 0.00001 0.00000 971. H16( 4px) 0.00001 0.00001 0.00000 972. H16( 2py) 0.00030 0.00030 0.00000 973. H16( 3py) 0.00001 0.00001 0.00000 974. H16( 4py) 0.00001 0.00001 0.00000 975. H16( 2pz) 0.00019 0.00018 -0.00001 976. H16( 3pz) 0.00002 0.00002 0.00000 977. H16( 4pz) 0.00001 0.00001 0.00000 978. H16( 3d1) 0.00005 0.00005 0.00000 979. H16( 4d1) 0.00000 0.00000 0.00000 980. H16( 3d2) 0.00005 0.00005 0.00000 981. H16( 4d2) 0.00000 0.00000 0.00000 982. H16( 3d3) 0.00002 0.00002 0.00000 983. H16( 4d3) 0.00000 0.00000 0.00000 984. H16( 3d4) 0.00006 0.00006 0.00000 985. H16( 4d4) 0.00000 0.00000 0.00000 986. H16( 3d5) 0.00002 0.00002 0.00000 987. H16( 4d5) 0.00000 0.00000 0.00000 988. H16( 4f1) 0.00000 0.00000 0.00000 989. H16( 4f2) 0.00001 0.00001 0.00000 990. H16( 4f3) 0.00000 0.00000 0.00000 991. H16( 4f4) 0.00000 0.00000 0.00000 992. H16( 4f5) 0.00000 0.00000 0.00000 993. H16( 4f6) 0.00000 0.00000 0.00000 994. H16( 4f7) 0.00002 0.00002 0.00000 995. H17( 1s ) 0.38368 0.38371 0.00003 996. H17( 3s ) 0.00017 0.00016 -0.00001 997. H17( 2s ) 0.00006 0.00009 0.00003 998. H17( 4s ) 0.00000 0.00000 0.00000 999. H17( 2px) 0.00027 0.00028 0.00001 1000. H17( 3px) 0.00001 0.00001 0.00000 1001. H17( 4px) 0.00001 0.00000 0.00000 1002. H17( 2py) 0.00043 0.00045 0.00002 1003. H17( 3py) 0.00001 0.00001 0.00000 1004. H17( 4py) 0.00000 0.00000 0.00000 1005. H17( 2pz) 0.00019 0.00020 0.00001 1006. H17( 3pz) 0.00002 0.00002 0.00000 1007. H17( 4pz) 0.00001 0.00001 0.00000 1008. H17( 3d1) 0.00005 0.00005 0.00000 1009. H17( 4d1) 0.00000 0.00000 0.00000 1010. H17( 3d2) 0.00002 0.00002 0.00000 1011. H17( 4d2) 0.00000 0.00000 0.00000 1012. H17( 3d3) 0.00004 0.00004 0.00000 1013. H17( 4d3) 0.00000 0.00000 0.00000 1014. H17( 3d4) 0.00004 0.00004 0.00000 1015. H17( 4d4) 0.00000 0.00000 0.00000 1016. H17( 3d5) 0.00003 0.00003 0.00000 1017. H17( 4d5) 0.00000 0.00000 0.00000 1018. H17( 4f1) 0.00001 0.00001 0.00000 1019. H17( 4f2) 0.00000 0.00000 0.00000 1020. H17( 4f3) 0.00001 0.00001 0.00000 1021. H17( 4f4) 0.00002 0.00002 0.00000 1022. H17( 4f5) 0.00001 0.00001 0.00000 1023. H17( 4f6) 0.00000 0.00000 0.00000 1024. H17( 4f7) 0.00001 0.00001 0.00000 1025. H18( 1s ) 0.37636 0.37568 -0.00068 1026. H18( 3s ) 0.00026 0.00012 -0.00014 1027. H18( 2s ) 0.00005 0.00009 0.00004 1028. H18( 4s ) 0.00000 0.00000 0.00000 1029. H18( 2px) 0.00029 0.00026 -0.00003 1030. H18( 3px) 0.00001 0.00001 0.00000 1031. H18( 4px) 0.00000 0.00000 0.00000 1032. H18( 2py) 0.00036 0.00036 0.00000 1033. H18( 3py) 0.00001 0.00001 0.00000 1034. H18( 4py) 0.00000 0.00000 0.00000 1035. H18( 2pz) 0.00020 0.00018 -0.00002 1036. H18( 3pz) 0.00002 0.00001 0.00000 1037. H18( 4pz) 0.00001 0.00001 0.00000 1038. H18( 3d1) 0.00003 0.00003 0.00000 1039. H18( 4d1) 0.00000 0.00000 0.00000 1040. H18( 3d2) 0.00003 0.00003 0.00000 1041. H18( 4d2) 0.00000 0.00000 0.00000 1042. H18( 3d3) 0.00003 0.00003 0.00000 1043. H18( 4d3) 0.00000 0.00000 0.00000 1044. H18( 3d4) 0.00005 0.00005 0.00000 1045. H18( 4d4) 0.00000 0.00000 0.00000 1046. H18( 3d5) 0.00003 0.00003 0.00000 1047. H18( 4d5) 0.00000 0.00000 0.00000 1048. H18( 4f1) 0.00001 0.00001 0.00000 1049. H18( 4f2) 0.00000 0.00000 0.00000 1050. H18( 4f3) 0.00000 0.00000 0.00000 1051. H18( 4f4) 0.00000 0.00000 0.00000 1052. H18( 4f5) 0.00002 0.00002 0.00000 1053. H18( 4f6) 0.00000 0.00000 0.00000 1054. H18( 4f7) 0.00001 0.00001 0.00000 1055. H19( 1s ) 0.38821 0.38792 -0.00029 1056. H19( 3s ) 0.00036 0.00043 0.00007 1057. H19( 2s ) 0.00009 0.00010 0.00001 1058. H19( 4s ) 0.00000 0.00000 0.00000 1059. H19( 2px) 0.00048 0.00048 0.00000 1060. H19( 3px) 0.00000 0.00001 0.00000 1061. H19( 4px) 0.00001 0.00001 0.00000 1062. H19( 2py) 0.00017 0.00017 0.00000 1063. H19( 3py) 0.00002 0.00002 0.00000 1064. H19( 4py) 0.00001 0.00001 0.00000 1065. H19( 2pz) 0.00023 0.00022 -0.00001 1066. H19( 3pz) 0.00001 0.00001 0.00000 1067. H19( 4pz) 0.00001 0.00001 0.00000 1068. H19( 3d1) 0.00005 0.00005 0.00000 1069. H19( 4d1) 0.00000 0.00000 0.00000 1070. H19( 3d2) 0.00006 0.00006 0.00000 1071. H19( 4d2) 0.00000 0.00000 0.00000 1072. H19( 3d3) 0.00003 0.00003 0.00000 1073. H19( 4d3) 0.00000 0.00000 0.00000 1074. H19( 3d4) 0.00005 0.00005 0.00000 1075. H19( 4d4) 0.00000 0.00000 0.00000 1076. H19( 3d5) 0.00001 0.00001 0.00000 1077. H19( 4d5) 0.00000 0.00000 0.00000 1078. H19( 4f1) 0.00000 0.00000 0.00000 1079. H19( 4f2) 0.00001 0.00001 0.00000 1080. H19( 4f3) 0.00000 0.00000 0.00000 1081. H19( 4f4) 0.00000 0.00000 0.00000 1082. H19( 4f5) 0.00000 0.00000 0.00000 1083. H19( 4f6) 0.00001 0.00001 0.00000 1084. H19( 4f7) 0.00002 0.00002 0.00000 1085. H20( 1s ) 0.37511 0.37479 -0.00032 1086. H20( 3s ) 0.00017 0.00011 -0.00006 1087. H20( 2s ) 0.00010 0.00005 -0.00005 1088. H20( 4s ) 0.00000 0.00000 0.00000 1089. H20( 2px) 0.00032 0.00030 -0.00002 1090. H20( 3px) 0.00001 0.00001 0.00000 1091. H20( 4px) 0.00000 0.00000 0.00000 1092. H20( 2py) 0.00026 0.00026 0.00000 1093. H20( 3py) 0.00002 0.00002 0.00000 1094. H20( 4py) 0.00000 0.00000 0.00000 1095. H20( 2pz) 0.00034 0.00031 -0.00003 1096. H20( 3pz) 0.00001 0.00001 0.00000 1097. H20( 4pz) 0.00000 0.00000 0.00000 1098. H20( 3d1) 0.00003 0.00003 0.00000 1099. H20( 4d1) 0.00000 0.00000 0.00000 1100. H20( 3d2) 0.00003 0.00003 0.00000 1101. H20( 4d2) 0.00000 0.00000 0.00000 1102. H20( 3d3) 0.00003 0.00003 0.00000 1103. H20( 4d3) 0.00000 0.00000 0.00000 1104. H20( 3d4) 0.00005 0.00005 0.00000 1105. H20( 4d4) 0.00000 0.00000 0.00000 1106. H20( 3d5) 0.00003 0.00003 0.00000 1107. H20( 4d5) 0.00000 0.00000 0.00000 1108. H20( 4f1) 0.00001 0.00001 0.00000 1109. H20( 4f2) 0.00000 0.00000 0.00000 1110. H20( 4f3) 0.00000 0.00000 0.00000 1111. H20( 4f4) 0.00000 0.00000 0.00000 1112. H20( 4f5) 0.00001 0.00001 0.00000 1113. H20( 4f6) 0.00000 0.00000 0.00000 1114. H20( 4f7) 0.00001 0.00001 0.00000 1115. H21( 1s ) 0.37816 0.37779 -0.00037 1116. H21( 3s ) 0.00017 0.00010 -0.00006 1117. H21( 2s ) 0.00005 0.00006 0.00000 1118. H21( 4s ) 0.00000 0.00000 0.00000 1119. H21( 2px) 0.00026 0.00022 -0.00003 1120. H21( 3px) 0.00001 0.00001 -0.00001 1121. H21( 4px) 0.00000 0.00000 0.00000 1122. H21( 2py) 0.00013 0.00012 -0.00001 1123. H21( 3py) 0.00002 0.00001 0.00000 1124. H21( 4py) 0.00001 0.00001 0.00000 1125. H21( 2pz) 0.00046 0.00045 -0.00001 1126. H21( 3pz) 0.00001 0.00001 0.00000 1127. H21( 4pz) 0.00000 0.00000 0.00000 1128. H21( 3d1) 0.00000 0.00000 0.00000 1129. H21( 4d1) 0.00000 0.00000 0.00000 1130. H21( 3d2) 0.00007 0.00007 0.00000 1131. H21( 4d2) 0.00000 0.00000 0.00000 1132. H21( 3d3) 0.00006 0.00006 0.00000 1133. H21( 4d3) 0.00000 0.00000 0.00000 1134. H21( 3d4) 0.00001 0.00001 0.00000 1135. H21( 4d4) 0.00000 0.00000 0.00000 1136. H21( 3d5) 0.00004 0.00004 0.00000 1137. H21( 4d5) 0.00000 0.00000 0.00000 1138. H21( 4f1) 0.00003 0.00003 0.00000 1139. H21( 4f2) 0.00001 0.00001 0.00000 1140. H21( 4f3) 0.00001 0.00001 0.00000 1141. H21( 4f4) 0.00000 0.00000 0.00000 1142. H21( 4f5) 0.00000 0.00000 0.00000 1143. H21( 4f6) 0.00000 0.00000 0.00000 1144. H21( 4f7) 0.00000 0.00000 0.00000 1145. H22( 1s ) 0.38614 0.38755 0.00140 1146. H22( 3s ) 0.00037 0.00042 0.00005 1147. H22( 2s ) 0.00008 0.00008 -0.00001 1148. H22( 4s ) 0.00000 0.00000 0.00000 1149. H22( 2px) 0.00032 0.00032 0.00000 1150. H22( 3px) 0.00001 0.00001 0.00000 1151. H22( 4px) 0.00001 0.00001 0.00000 1152. H22( 2py) 0.00036 0.00035 -0.00001 1153. H22( 3py) 0.00001 0.00001 0.00000 1154. H22( 4py) 0.00001 0.00000 0.00000 1155. H22( 2pz) 0.00025 0.00024 0.00000 1156. H22( 3pz) 0.00001 0.00001 0.00000 1157. H22( 4pz) 0.00000 0.00001 0.00000 1158. H22( 3d1) 0.00003 0.00003 0.00000 1159. H22( 4d1) 0.00000 0.00000 0.00000 1160. H22( 3d2) 0.00005 0.00005 0.00000 1161. H22( 4d2) 0.00000 0.00000 0.00000 1162. H22( 3d3) 0.00003 0.00003 0.00000 1163. H22( 4d3) 0.00000 0.00000 0.00000 1164. H22( 3d4) 0.00007 0.00007 0.00000 1165. H22( 4d4) 0.00000 0.00000 0.00000 1166. H22( 3d5) 0.00001 0.00001 0.00000 1167. H22( 4d5) 0.00000 0.00000 0.00000 1168. H22( 4f1) 0.00000 0.00000 0.00000 1169. H22( 4f2) 0.00001 0.00001 0.00000 1170. H22( 4f3) 0.00000 0.00000 0.00000 1171. H22( 4f4) 0.00000 0.00000 0.00000 1172. H22( 4f5) 0.00000 0.00000 0.00000 1173. H22( 4f6) 0.00001 0.00001 0.00000 1174. H22( 4f7) 0.00002 0.00002 0.00000 1175. H23( 1s ) 0.38048 0.38060 0.00011 1176. H23( 3s ) 0.00015 0.00014 -0.00001 1177. H23( 2s ) 0.00006 0.00006 0.00000 1178. H23( 4s ) 0.00000 0.00000 0.00000 1179. H23( 2px) 0.00023 0.00024 0.00001 1180. H23( 3px) 0.00002 0.00002 0.00000 1181. H23( 4px) 0.00001 0.00000 0.00000 1182. H23( 2py) 0.00022 0.00022 0.00000 1183. H23( 3py) 0.00001 0.00001 0.00000 1184. H23( 4py) 0.00001 0.00001 0.00000 1185. H23( 2pz) 0.00043 0.00043 0.00001 1186. H23( 3pz) 0.00001 0.00001 0.00000 1187. H23( 4pz) 0.00000 0.00000 0.00000 1188. H23( 3d1) 0.00001 0.00001 0.00000 1189. H23( 4d1) 0.00000 0.00000 0.00000 1190. H23( 3d2) 0.00005 0.00006 0.00000 1191. H23( 4d2) 0.00000 0.00000 0.00000 1192. H23( 3d3) 0.00006 0.00006 0.00000 1193. H23( 4d3) 0.00000 0.00000 0.00000 1194. H23( 3d4) 0.00001 0.00001 0.00000 1195. H23( 4d4) 0.00000 0.00000 0.00000 1196. H23( 3d5) 0.00004 0.00004 0.00000 1197. H23( 4d5) 0.00000 0.00000 0.00000 1198. H23( 4f1) 0.00002 0.00002 0.00000 1199. H23( 4f2) 0.00001 0.00001 0.00000 1200. H23( 4f3) 0.00001 0.00001 0.00000 1201. H23( 4f4) 0.00000 0.00000 0.00000 1202. H23( 4f5) 0.00000 0.00000 0.00000 1203. H23( 4f6) 0.00000 0.00000 0.00000 1204. H23( 4f7) 0.00000 0.00000 0.00000 1205. H24( 1s ) 0.38604 0.38615 0.00011 1206. H24( 3s ) 0.00015 0.00015 0.00000 1207. H24( 2s ) 0.00006 0.00008 0.00002 1208. H24( 4s ) 0.00000 0.00000 0.00000 1209. H24( 2px) 0.00020 0.00020 0.00000 1210. H24( 3px) 0.00002 0.00002 0.00000 1211. H24( 4px) 0.00001 0.00001 0.00000 1212. H24( 2py) 0.00036 0.00035 0.00000 1213. H24( 3py) 0.00001 0.00001 0.00000 1214. H24( 4py) 0.00001 0.00001 0.00000 1215. H24( 2pz) 0.00027 0.00027 0.00000 1216. H24( 3pz) 0.00001 0.00001 0.00000 1217. H24( 4pz) 0.00001 0.00001 0.00000 1218. H24( 3d1) 0.00004 0.00004 0.00000 1219. H24( 4d1) 0.00000 0.00000 0.00000 1220. H24( 3d2) 0.00002 0.00002 0.00000 1221. H24( 4d2) 0.00000 0.00000 0.00000 1222. H24( 3d3) 0.00004 0.00004 0.00000 1223. H24( 4d3) 0.00000 0.00000 0.00000 1224. H24( 3d4) 0.00005 0.00005 0.00000 1225. H24( 4d4) 0.00000 0.00000 0.00000 1226. H24( 3d5) 0.00004 0.00004 0.00000 1227. H24( 4d5) 0.00000 0.00000 0.00000 1228. H24( 4f1) 0.00001 0.00001 0.00000 1229. H24( 4f2) 0.00000 0.00000 0.00000 1230. H24( 4f3) 0.00000 0.00000 0.00000 1231. H24( 4f4) 0.00001 0.00001 0.00000 1232. H24( 4f5) 0.00001 0.00001 0.00000 1233. H24( 4f6) 0.00001 0.00001 0.00000 1234. H24( 4f7) 0.00001 0.00001 0.00000 1235. H25( 1s ) 0.36888 0.36868 -0.00020 1236. H25( 3s ) 0.00036 0.00017 -0.00019 1237. H25( 2s ) 0.00017 0.00016 -0.00001 1238. H25( 4s ) 0.00000 0.00000 0.00000 1239. H25( 2px) 0.00035 0.00034 -0.00001 1240. H25( 3px) 0.00008 0.00007 0.00000 1241. H25( 4px) 0.00001 0.00001 0.00000 1242. H25( 2py) 0.00012 0.00008 -0.00004 1243. H25( 3py) 0.00009 0.00006 -0.00002 1244. H25( 4py) 0.00001 0.00000 0.00000 1245. H25( 2pz) 0.00017 0.00012 -0.00005 1246. H25( 3pz) 0.00002 0.00000 -0.00001 1247. H25( 4pz) 0.00001 0.00001 0.00000 1248. H25( 3d1) 0.00006 0.00006 0.00000 1249. H25( 4d1) 0.00000 0.00000 0.00000 1250. H25( 3d2) 0.00007 0.00007 0.00000 1251. H25( 4d2) 0.00000 0.00000 0.00000 1252. H25( 3d3) 0.00001 0.00001 0.00000 1253. H25( 4d3) 0.00000 0.00000 0.00000 1254. H25( 3d4) 0.00005 0.00005 0.00000 1255. H25( 4d4) 0.00000 0.00000 0.00000 1256. H25( 3d5) 0.00003 0.00003 0.00000 1257. H25( 4d5) 0.00000 0.00000 0.00000 1258. H25( 4f1) 0.00000 0.00000 0.00000 1259. H25( 4f2) 0.00001 0.00001 0.00000 1260. H25( 4f3) 0.00000 0.00000 0.00000 1261. H25( 4f4) 0.00001 0.00001 0.00000 1262. H25( 4f5) 0.00000 0.00000 0.00000 1263. H25( 4f6) 0.00002 0.00002 0.00000 1264. H25( 4f7) 0.00000 0.00000 0.00000 1265. H26( 1s ) 0.37314 0.37371 0.00058 1266. H26( 3s ) 0.00032 0.00022 -0.00010 1267. H26( 2s ) 0.00020 0.00046 0.00026 1268. H26( 4s ) 0.00000 0.00001 0.00000 1269. H26( 2px) 0.00019 0.00016 -0.00003 1270. H26( 3px) 0.00003 0.00002 -0.00001 1271. H26( 4px) 0.00000 0.00000 0.00000 1272. H26( 2py) 0.00009 0.00007 -0.00002 1273. H26( 3py) 0.00005 0.00009 0.00004 1274. H26( 4py) 0.00000 0.00001 0.00001 1275. H26( 2pz) 0.00036 0.00039 0.00002 1276. H26( 3pz) 0.00005 0.00006 0.00002 1277. H26( 4pz) 0.00000 0.00000 0.00000 1278. H26( 3d1) 0.00001 0.00001 0.00000 1279. H26( 4d1) 0.00000 0.00000 0.00000 1280. H26( 3d2) 0.00006 0.00006 0.00000 1281. H26( 4d2) 0.00000 0.00000 0.00000 1282. H26( 3d3) 0.00005 0.00006 0.00001 1283. H26( 4d3) 0.00000 0.00000 0.00000 1284. H26( 3d4) 0.00001 0.00001 0.00000 1285. H26( 4d4) 0.00000 0.00000 0.00000 1286. H26( 3d5) 0.00008 0.00008 0.00000 1287. H26( 4d5) 0.00000 0.00000 0.00000 1288. H26( 4f1) 0.00002 0.00002 0.00000 1289. H26( 4f2) 0.00001 0.00001 0.00000 1290. H26( 4f3) 0.00000 0.00000 0.00000 1291. H26( 4f4) 0.00000 0.00000 0.00000 1292. H26( 4f5) 0.00000 0.00000 0.00000 1293. H26( 4f6) 0.00000 0.00000 0.00000 1294. H26( 4f7) 0.00000 0.00000 0.00000 1295. H27( 1s ) 0.37851 0.37890 0.00039 1296. H27( 3s ) 0.00037 0.00032 -0.00005 1297. H27( 2s ) 0.00017 0.00034 0.00018 1298. H27( 4s ) 0.00000 0.00000 0.00000 1299. H27( 2px) 0.00032 0.00032 0.00000 1300. H27( 3px) 0.00003 0.00004 0.00000 1301. H27( 4px) 0.00001 0.00000 0.00000 1302. H27( 2py) 0.00007 0.00008 0.00001 1303. H27( 3py) 0.00009 0.00012 0.00002 1304. H27( 4py) 0.00001 0.00001 0.00000 1305. H27( 2pz) 0.00016 0.00017 0.00001 1306. H27( 3pz) 0.00003 0.00003 0.00000 1307. H27( 4pz) 0.00001 0.00001 0.00000 1308. H27( 3d1) 0.00005 0.00004 0.00000 1309. H27( 4d1) 0.00000 0.00000 0.00000 1310. H27( 3d2) 0.00006 0.00006 0.00000 1311. H27( 4d2) 0.00000 0.00000 0.00000 1312. H27( 3d3) 0.00002 0.00002 0.00000 1313. H27( 4d3) 0.00000 0.00000 0.00000 1314. H27( 3d4) 0.00005 0.00005 0.00000 1315. H27( 4d4) 0.00000 0.00000 0.00000 1316. H27( 3d5) 0.00004 0.00004 0.00000 1317. H27( 4d5) 0.00000 0.00000 0.00000 1318. H27( 4f1) 0.00001 0.00001 0.00000 1319. H27( 4f2) 0.00001 0.00001 0.00000 1320. H27( 4f3) 0.00000 0.00000 0.00000 1321. H27( 4f4) 0.00002 0.00002 0.00000 1322. H27( 4f5) 0.00000 0.00000 0.00000 1323. H27( 4f6) 0.00001 0.00001 0.00000 1324. H27( 4f7) 0.00000 0.00000 0.00000 1325. H28( 1s ) 0.37318 0.37334 0.00016 1326. H28( 2s ) 0.00035 0.00022 -0.00013 1327. H28( 3s ) 0.00019 0.00042 0.00022 1328. H28( 4s ) 0.00000 0.00001 0.00000 1329. H28( 2px) 0.00022 0.00018 -0.00003 1330. H28( 3px) 0.00003 0.00002 -0.00001 1331. H28( 4px) 0.00000 0.00000 0.00000 1332. H28( 2py) 0.00009 0.00007 -0.00002 1333. H28( 3py) 0.00005 0.00009 0.00004 1334. H28( 4py) 0.00000 0.00001 0.00001 1335. H28( 2pz) 0.00034 0.00036 0.00001 1336. H28( 3pz) 0.00005 0.00005 0.00001 1337. H28( 4pz) 0.00000 0.00000 0.00000 1338. H28( 3d1) 0.00001 0.00001 0.00000 1339. H28( 4d1) 0.00000 0.00000 0.00000 1340. H28( 3d2) 0.00006 0.00006 0.00000 1341. H28( 4d2) 0.00000 0.00000 0.00000 1342. H28( 3d3) 0.00005 0.00006 0.00001 1343. H28( 4d3) 0.00000 0.00000 0.00000 1344. H28( 3d4) 0.00002 0.00002 0.00000 1345. H28( 4d4) 0.00000 0.00000 0.00000 1346. H28( 3d5) 0.00007 0.00007 0.00000 1347. H28( 4d5) 0.00000 0.00000 0.00000 1348. H28( 4f1) 0.00002 0.00002 0.00000 1349. H28( 4f2) 0.00002 0.00002 0.00000 1350. H28( 4f3) 0.00000 0.00000 0.00000 1351. H28( 4f4) 0.00000 0.00000 0.00000 1352. H28( 4f5) 0.00000 0.00000 0.00000 1353. H28( 4f6) 0.00000 0.00000 0.00000 1354. H28( 4f7) 0.00000 0.00000 0.00000 1355. H29( 1s ) 0.37638 0.37725 0.00087 1356. H29( 2s ) 0.00030 0.00027 -0.00003 1357. H29( 3s ) 0.00015 0.00032 0.00017 1358. H29( 4s ) 0.00000 0.00000 0.00000 1359. H29( 2px) 0.00028 0.00028 0.00000 1360. H29( 3px) 0.00003 0.00003 0.00000 1361. H29( 4px) 0.00000 0.00000 0.00000 1362. H29( 2py) 0.00007 0.00008 0.00002 1363. H29( 3py) 0.00008 0.00010 0.00002 1364. H29( 4py) 0.00001 0.00001 0.00000 1365. H29( 2pz) 0.00020 0.00020 0.00001 1366. H29( 3pz) 0.00003 0.00003 0.00000 1367. H29( 4pz) 0.00000 0.00000 0.00000 1368. H29( 3d1) 0.00004 0.00004 0.00000 1369. H29( 4d1) 0.00000 0.00000 0.00000 1370. H29( 3d2) 0.00006 0.00006 0.00000 1371. H29( 4d2) 0.00000 0.00000 0.00000 1372. H29( 3d3) 0.00003 0.00003 0.00000 1373. H29( 4d3) 0.00000 0.00000 0.00000 1374. H29( 3d4) 0.00004 0.00005 0.00000 1375. H29( 4d4) 0.00000 0.00000 0.00000 1376. H29( 3d5) 0.00005 0.00006 0.00000 1377. H29( 4d5) 0.00000 0.00000 0.00000 1378. H29( 4f1) 0.00001 0.00001 0.00000 1379. H29( 4f2) 0.00001 0.00001 0.00000 1380. H29( 4f3) 0.00000 0.00000 0.00000 1381. H29( 4f4) 0.00002 0.00002 0.00000 1382. H29( 4f5) 0.00000 0.00000 0.00000 1383. H29( 4f6) 0.00001 0.00001 0.00000 1384. H29( 4f7) 0.00000 0.00000 0.00000 ---------- Beta spin NAO deletions ---------- NEDA: Natural Energy Decomposition Analysis Deletion of the NAO Fock matrix elements between orbitals: 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 711 712 713 714 715 716 717 718 719 720 721 722 723 724 725 726 727 728 729 730 731 732 733 734 735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 985 986 987 988 989 990 991 992 993 994 995 996 997 998 99910001001100210031004100510061007100810091010 10111012101310141015101610171018101910201021102210231024102510261027102810291030 10311032103310341035103610371038103910401041104210431044104510461047104810491050 10511052105310541055105610571058105910601061106210631064106510661067106810691070 10711072107310741075107610771078107910801081108210831084108510861087108810891090 10911092109310941095109610971098109911001101110211031104110511061107110811091110 11111112111311141115111611171118111911201121112211231124112511261127112811291130 11311132113311341135113611371138113911401141114211431144114511461147114811491150 11511152115311541155115611571158115911601161116211631164116511661167116811691170 11711172117311741175117611771178117911801181118211831184118511861187118811891190 11911192119311941195119611971198119912001201120212031204120512061207120812091210 12111212121312141215121612171218121912201221122212231224122512261227122812291230 12311232123312341235123612371238123912401241124212431244124512461247124812491250 12511252125312541255125612571258125912601261126212631264126512661267126812691270 12711272127312741275127612771278127912801281128212831284128512861287128812891290 12911292129312941295129612971298129913001301130213031304130513061307130813091310 13111312131313141315131613171318131913201321132213231324132513261327132813291330 13311332133313341335133613371338133913401341134213431344134513461347134813491350 13511352135313541355135613571358135913601361136213631364136513661367136813691370 13711372137313741375137613771378137913801381138213831384 and orbitals: 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 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Tc 1( 4s ) 0.99997 0.99996 -0.00001 2. Tc 1( 5s ) 0.18007 0.10038 -0.07968 3. Tc 1( 6s ) 0.00169 0.00018 -0.00151 4. Tc 1( 9s ) 0.00061 0.00047 -0.00014 5. Tc 1( 8s ) 0.00007 0.00007 0.00001 6. Tc 1( 7s ) 0.00002 0.00001 -0.00001 7. Tc 1(10s ) 0.00000 0.00000 0.00000 8. Tc 1( 4px) 0.99991 0.99992 0.00001 9. Tc 1( 6px) 0.00366 0.00068 -0.00298 10. Tc 1( 8px) 0.00042 0.00026 -0.00016 11. Tc 1( 5px) 0.00005 0.00002 -0.00003 12. Tc 1( 7px) 0.00004 0.00002 -0.00002 13. Tc 1( 4py) 0.99990 0.99991 0.00001 14. Tc 1( 6py) 0.00119 0.00059 -0.00060 15. Tc 1( 8py) 0.00048 0.00020 -0.00028 16. Tc 1( 5py) 0.00014 0.00010 -0.00004 17. Tc 1( 7py) 0.00001 0.00001 0.00000 18. Tc 1( 4pz) 0.99990 0.99992 0.00002 19. Tc 1( 6pz) 0.00190 0.00039 -0.00150 20. Tc 1( 8pz) 0.00059 0.00003 -0.00056 21. Tc 1( 5pz) 0.00012 0.00001 -0.00011 22. Tc 1( 7pz) 0.00002 0.00001 -0.00002 23. Tc 1( 4d1) 0.54665 0.48216 -0.06449 24. Tc 1( 5d1) 0.00254 0.00113 -0.00141 25. Tc 1( 6d1) 0.00020 0.00007 -0.00012 26. Tc 1( 7d1) 0.00004 0.00002 -0.00001 27. Tc 1( 4d2) 0.85884 0.92185 0.06301 28. Tc 1( 5d2) 0.00247 0.00213 -0.00034 29. Tc 1( 6d2) 0.00048 0.00027 -0.00021 30. Tc 1( 7d2) 0.00001 0.00000 0.00000 31. Tc 1( 4d3) 0.56086 0.48156 -0.07930 32. Tc 1( 5d3) 0.00170 0.00038 -0.00131 33. Tc 1( 6d3) 0.00026 0.00003 -0.00023 34. Tc 1( 7d3) 0.00005 0.00002 -0.00003 35. Tc 1( 4d4) 0.90229 0.36628 -0.53601 36. Tc 1( 5d4) 0.00226 0.00129 -0.00097 37. Tc 1( 6d4) 0.00025 0.00009 -0.00016 38. Tc 1( 7d4) 0.00003 0.00002 -0.00001 39. Tc 1( 4d5) 0.52958 0.80149 0.27192 40. Tc 1( 5d5) 0.00283 0.00219 -0.00063 41. Tc 1( 6d5) 0.00017 0.00017 0.00000 42. Tc 1( 7d5) 0.00003 0.00002 -0.00001 43. Tc 1( 4f1) 0.00057 0.00025 -0.00032 44. Tc 1( 5f1) 0.00047 0.00010 -0.00037 45. Tc 1( 6f1) 0.00004 0.00002 -0.00002 46. Tc 1( 7f1) 0.00000 0.00000 0.00000 47. Tc 1( 4f2) 0.00201 0.00033 -0.00168 48. Tc 1( 5f2) 0.00040 0.00013 -0.00027 49. Tc 1( 6f2) 0.00005 0.00003 -0.00002 50. Tc 1( 7f2) 0.00000 0.00000 0.00000 51. Tc 1( 4f3) 0.00153 0.00064 -0.00089 52. Tc 1( 5f3) 0.00054 0.00016 -0.00038 53. Tc 1( 6f3) 0.00004 0.00002 -0.00002 54. Tc 1( 7f3) 0.00000 0.00000 0.00000 55. Tc 1( 4f4) 0.00149 0.00030 -0.00119 56. Tc 1( 5f4) 0.00033 0.00006 -0.00027 57. Tc 1( 6f4) 0.00005 0.00003 -0.00002 58. Tc 1( 7f4) 0.00000 0.00000 0.00000 59. Tc 1( 4f5) 0.00151 0.00058 -0.00093 60. Tc 1( 5f5) 0.00026 0.00007 -0.00019 61. Tc 1( 6f5) 0.00006 0.00003 -0.00002 62. Tc 1( 7f5) 0.00000 0.00000 0.00000 63. Tc 1( 4f6) 0.00115 0.00071 -0.00043 64. Tc 1( 5f6) 0.00024 0.00014 -0.00010 65. Tc 1( 6f6) 0.00005 0.00004 -0.00001 66. Tc 1( 7f6) 0.00001 0.00001 0.00000 67. Tc 1( 4f7) 0.00128 0.00107 -0.00021 68. Tc 1( 5f7) 0.00028 0.00029 0.00000 69. Tc 1( 6f7) 0.00004 0.00002 -0.00002 70. Tc 1( 7f7) 0.00000 0.00000 0.00000 71. Tc 1( 5g1) 0.00011 0.00004 -0.00007 72. Tc 1( 6g1) 0.00000 0.00000 0.00000 73. Tc 1( 5g2) 0.00006 0.00001 -0.00004 74. Tc 1( 6g2) 0.00000 0.00000 0.00000 75. Tc 1( 5g3) 0.00009 0.00002 -0.00007 76. Tc 1( 6g3) 0.00001 0.00000 0.00000 77. Tc 1( 5g4) 0.00012 0.00003 -0.00009 78. Tc 1( 6g4) 0.00000 0.00000 0.00000 79. Tc 1( 5g5) 0.00016 0.00005 -0.00011 80. Tc 1( 6g5) 0.00000 0.00000 0.00000 81. Tc 1( 5g6) 0.00017 0.00006 -0.00011 82. Tc 1( 6g6) 0.00000 0.00000 0.00000 83. Tc 1( 5g7) 0.00005 0.00003 -0.00002 84. Tc 1( 6g7) 0.00000 0.00000 0.00000 85. Tc 1( 5g8) 0.00009 0.00008 -0.00001 86. Tc 1( 6g8) 0.00001 0.00001 0.00000 87. Tc 1( 5g9) 0.00006 0.00003 -0.00003 88. Tc 1( 6g9) 0.00001 0.00000 0.00000 89. S 2( 1s ) 1.00000 1.00000 0.00000 90. S 2( 2s ) 1.00000 1.00000 0.00000 91. S 2( 3s ) 0.88621 0.95234 0.06613 92. S 2( 4s ) 0.00126 0.00041 -0.00085 93. S 2( 5s ) 0.00004 0.00007 0.00004 94. S 2( 6s ) 0.00000 0.00001 0.00001 95. S 2( 7s ) 0.00000 0.00001 0.00001 96. S 2( 9s ) 0.00000 0.00000 0.00000 97. S 2( 8s ) 0.00000 0.00000 0.00000 98. S 2( 2px) 1.00000 1.00000 0.00000 99. S 2( 3px) 0.50724 0.55454 0.04731 100. S 2( 4px) 0.00160 0.00069 -0.00091 101. S 2( 5px) 0.00009 0.00024 0.00014 102. S 2( 6px) 0.00001 0.00003 0.00002 103. S 2( 7px) 0.00000 0.00000 0.00000 104. S 2( 2py) 1.00000 1.00000 0.00000 105. S 2( 3py) 0.79025 0.96386 0.17361 106. S 2( 4py) 0.00154 0.00094 -0.00060 107. S 2( 5py) 0.00011 0.00015 0.00004 108. S 2( 6py) 0.00000 0.00001 0.00001 109. S 2( 7py) 0.00000 0.00000 0.00000 110. S 2( 2pz) 1.00000 1.00000 0.00000 111. S 2( 3pz) 0.82081 0.96545 0.14464 112. S 2( 4pz) 0.00111 0.00230 0.00120 113. S 2( 5pz) 0.00012 0.00035 0.00024 114. S 2( 6pz) 0.00001 0.00001 0.00001 115. S 2( 7pz) 0.00000 0.00000 0.00000 116. S 2( 3d1) 0.00303 0.00222 -0.00081 117. S 2( 4d1) 0.00024 0.00020 -0.00004 118. S 2( 5d1) 0.00000 0.00000 0.00000 119. S 2( 6d1) 0.00000 0.00000 0.00000 120. S 2( 3d2) 0.00352 0.00210 -0.00142 121. S 2( 4d2) 0.00046 0.00041 -0.00005 122. S 2( 5d2) 0.00001 0.00001 0.00000 123. S 2( 6d2) 0.00000 0.00000 0.00000 124. S 2( 3d3) 0.00302 0.00076 -0.00226 125. S 2( 4d3) 0.00033 0.00017 -0.00015 126. S 2( 5d3) 0.00000 0.00001 0.00000 127. S 2( 6d3) 0.00000 0.00000 0.00000 128. S 2( 3d4) 0.00428 0.00189 -0.00239 129. S 2( 4d4) 0.00033 0.00035 0.00002 130. S 2( 5d4) 0.00001 0.00000 0.00000 131. S 2( 6d4) 0.00000 0.00000 0.00000 132. S 2( 3d5) 0.00308 0.00071 -0.00237 133. S 2( 4d5) 0.00045 0.00027 -0.00018 134. S 2( 5d5) 0.00000 0.00001 0.00001 135. S 2( 6d5) 0.00000 0.00000 0.00000 136. S 2( 4f1) 0.00005 0.00005 0.00000 137. S 2( 5f1) 0.00003 0.00001 -0.00002 138. S 2( 4f2) 0.00012 0.00009 -0.00003 139. S 2( 5f2) 0.00003 0.00001 -0.00002 140. S 2( 4f3) 0.00014 0.00003 -0.00011 141. S 2( 5f3) 0.00002 0.00001 -0.00002 142. S 2( 4f4) 0.00014 0.00014 0.00000 143. S 2( 5f4) 0.00004 0.00001 -0.00002 144. S 2( 4f5) 0.00011 0.00005 -0.00007 145. S 2( 5f5) 0.00001 0.00000 -0.00001 146. S 2( 4f6) 0.00025 0.00027 0.00001 147. S 2( 5f6) 0.00002 0.00001 -0.00001 148. S 2( 4f7) 0.00018 0.00017 -0.00001 149. S 2( 5f7) 0.00002 0.00002 -0.00001 150. S 2( 5g1) 0.00001 0.00001 -0.00001 151. S 2( 5g2) 0.00001 0.00001 0.00000 152. S 2( 5g3) 0.00001 0.00000 -0.00001 153. S 2( 5g4) 0.00002 0.00001 -0.00001 154. S 2( 5g5) 0.00001 0.00000 -0.00001 155. S 2( 5g6) 0.00001 0.00000 0.00000 156. S 2( 5g7) 0.00000 0.00000 0.00000 157. S 2( 5g8) 0.00002 0.00001 0.00000 158. S 2( 5g9) 0.00001 0.00001 0.00000 159. S 3( 1s ) 1.00000 1.00000 0.00000 160. S 3( 2s ) 1.00000 1.00000 0.00000 161. S 3( 3s ) 0.89701 0.89627 -0.00074 162. S 3( 4s ) 0.00203 0.00095 -0.00108 163. S 3( 6s ) 0.00006 0.00005 -0.00001 164. S 3( 5s ) 0.00000 0.00000 0.00000 165. S 3( 7s ) 0.00000 0.00000 0.00000 166. S 3( 9s ) 0.00000 0.00000 0.00000 167. S 3( 8s ) 0.00000 0.00000 0.00000 168. S 3( 2px) 1.00000 1.00000 0.00000 169. S 3( 3px) 0.59339 0.57966 -0.01373 170. S 3( 4px) 0.00195 0.00168 -0.00027 171. S 3( 5px) 0.00013 0.00022 0.00009 172. S 3( 6px) 0.00001 0.00000 0.00000 173. S 3( 7px) 0.00000 0.00000 0.00000 174. S 3( 2py) 1.00000 1.00000 0.00000 175. S 3( 3py) 0.80438 0.82808 0.02370 176. S 3( 4py) 0.00123 0.00097 -0.00026 177. S 3( 5py) 0.00011 0.00014 0.00003 178. S 3( 6py) 0.00000 0.00001 0.00000 179. S 3( 7py) 0.00000 0.00000 0.00000 180. S 3( 2pz) 1.00000 1.00000 0.00000 181. S 3( 3pz) 0.68496 0.69858 0.01362 182. S 3( 4pz) 0.00159 0.00158 -0.00001 183. S 3( 5pz) 0.00011 0.00013 0.00002 184. S 3( 6pz) 0.00000 0.00001 0.00000 185. S 3( 7pz) 0.00000 0.00000 0.00000 186. S 3( 3d1) 0.00409 0.00460 0.00051 187. S 3( 4d1) 0.00006 0.00007 0.00001 188. S 3( 5d1) 0.00001 0.00001 0.00000 189. S 3( 6d1) 0.00000 0.00000 0.00000 190. S 3( 3d2) 0.00526 0.00461 -0.00065 191. S 3( 4d2) 0.00014 0.00021 0.00007 192. S 3( 5d2) 0.00001 0.00001 0.00000 193. S 3( 6d2) 0.00000 0.00000 0.00000 194. S 3( 3d3) 0.00496 0.00483 -0.00013 195. S 3( 4d3) 0.00008 0.00005 -0.00002 196. S 3( 5d3) 0.00001 0.00000 0.00000 197. S 3( 6d3) 0.00000 0.00000 0.00000 198. S 3( 3d4) 0.00697 0.00633 -0.00064 199. S 3( 4d4) 0.00008 0.00004 -0.00004 200. S 3( 5d4) 0.00001 0.00001 0.00000 201. S 3( 6d4) 0.00000 0.00000 0.00000 202. S 3( 3d5) 0.00484 0.00550 0.00066 203. S 3( 4d5) 0.00010 0.00007 -0.00003 204. S 3( 5d5) 0.00001 0.00001 0.00000 205. S 3( 6d5) 0.00000 0.00000 0.00000 206. S 3( 4f1) 0.00012 0.00013 0.00001 207. S 3( 5f1) 0.00001 0.00001 0.00000 208. S 3( 4f2) 0.00026 0.00024 -0.00002 209. S 3( 5f2) 0.00001 0.00001 0.00000 210. S 3( 4f3) 0.00039 0.00038 -0.00001 211. S 3( 5f3) 0.00001 0.00001 0.00000 212. S 3( 4f4) 0.00024 0.00018 -0.00005 213. S 3( 5f4) 0.00002 0.00002 0.00000 214. S 3( 4f5) 0.00025 0.00023 -0.00002 215. S 3( 5f5) 0.00001 0.00001 0.00000 216. S 3( 4f6) 0.00035 0.00027 -0.00008 217. S 3( 5f6) 0.00002 0.00001 0.00000 218. S 3( 4f7) 0.00024 0.00021 -0.00003 219. S 3( 5f7) 0.00001 0.00002 0.00000 220. S 3( 5g1) 0.00001 0.00001 0.00000 221. S 3( 5g2) 0.00002 0.00002 0.00000 222. S 3( 5g3) 0.00002 0.00002 0.00000 223. S 3( 5g4) 0.00003 0.00003 0.00000 224. S 3( 5g5) 0.00002 0.00002 0.00000 225. S 3( 5g6) 0.00002 0.00002 0.00000 226. S 3( 5g7) 0.00001 0.00001 0.00000 227. S 3( 5g8) 0.00003 0.00003 0.00000 228. S 3( 5g9) 0.00003 0.00003 0.00000 229. S 4( 1s ) 1.00000 1.00000 0.00000 230. S 4( 2s ) 1.00000 1.00000 0.00000 231. S 4( 3s ) 0.90102 0.90002 -0.00101 232. S 4( 4s ) 0.00211 0.00132 -0.00079 233. S 4( 5s ) 0.00002 0.00001 0.00000 234. S 4( 6s ) 0.00000 0.00000 0.00000 235. S 4( 7s ) 0.00000 0.00000 0.00000 236. S 4( 8s ) 0.00000 0.00000 0.00000 237. S 4( 9s ) 0.00000 0.00000 0.00000 238. S 4( 2px) 1.00000 1.00000 0.00000 239. S 4( 3px) 0.86058 0.86652 0.00594 240. S 4( 4px) 0.00119 0.00110 -0.00009 241. S 4( 5px) 0.00010 0.00013 0.00003 242. S 4( 6px) 0.00000 0.00001 0.00000 243. S 4( 7px) 0.00000 0.00000 0.00000 244. S 4( 2py) 1.00000 1.00000 0.00000 245. S 4( 3py) 0.73448 0.73589 0.00140 246. S 4( 4py) 0.00066 0.00049 -0.00017 247. S 4( 5py) 0.00013 0.00015 0.00003 248. S 4( 6py) 0.00000 0.00001 0.00000 249. S 4( 7py) 0.00000 0.00000 0.00000 250. S 4( 2pz) 1.00000 1.00000 0.00000 251. S 4( 3pz) 0.48522 0.48692 0.00170 252. S 4( 4pz) 0.00259 0.00257 -0.00002 253. S 4( 5pz) 0.00010 0.00011 0.00001 254. S 4( 6pz) 0.00000 0.00000 0.00000 255. S 4( 7pz) 0.00000 0.00000 0.00000 256. S 4( 3d1) 0.00365 0.00377 0.00012 257. S 4( 4d1) 0.00008 0.00012 0.00004 258. S 4( 5d1) 0.00000 0.00000 0.00000 259. S 4( 6d1) 0.00000 0.00000 0.00000 260. S 4( 3d2) 0.00390 0.00376 -0.00014 261. S 4( 4d2) 0.00007 0.00005 -0.00003 262. S 4( 5d2) 0.00001 0.00000 0.00000 263. S 4( 6d2) 0.00000 0.00000 0.00000 264. S 4( 3d3) 0.00868 0.00908 0.00040 265. S 4( 4d3) 0.00004 0.00004 0.00000 266. S 4( 5d3) 0.00001 0.00001 0.00000 267. S 4( 6d3) 0.00000 0.00000 0.00000 268. S 4( 3d4) 0.00246 0.00265 0.00019 269. S 4( 4d4) 0.00002 0.00006 0.00004 270. S 4( 5d4) 0.00001 0.00001 0.00000 271. S 4( 6d4) 0.00000 0.00000 0.00000 272. S 4( 3d5) 0.00674 0.00727 0.00053 273. S 4( 4d5) 0.00004 0.00006 0.00002 274. S 4( 5d5) 0.00001 0.00001 0.00000 275. S 4( 6d5) 0.00000 0.00000 0.00000 276. S 4( 4f1) 0.00025 0.00025 0.00001 277. S 4( 5f1) 0.00001 0.00001 0.00000 278. S 4( 4f2) 0.00038 0.00035 -0.00003 279. S 4( 5f2) 0.00002 0.00002 0.00000 280. S 4( 4f3) 0.00059 0.00058 -0.00002 281. S 4( 5f3) 0.00002 0.00002 0.00000 282. S 4( 4f4) 0.00010 0.00011 0.00001 283. S 4( 5f4) 0.00001 0.00001 0.00000 284. S 4( 4f5) 0.00030 0.00030 0.00000 285. S 4( 5f5) 0.00001 0.00001 0.00000 286. S 4( 4f6) 0.00011 0.00011 0.00000 287. S 4( 5f6) 0.00000 0.00000 0.00000 288. S 4( 4f7) 0.00011 0.00011 0.00000 289. S 4( 5f7) 0.00000 0.00000 0.00000 290. S 4( 5g1) 0.00002 0.00003 0.00000 291. S 4( 5g2) 0.00002 0.00002 0.00000 292. S 4( 5g3) 0.00004 0.00004 0.00000 293. S 4( 5g4) 0.00003 0.00003 0.00000 294. S 4( 5g5) 0.00004 0.00004 0.00000 295. S 4( 5g6) 0.00002 0.00002 0.00000 296. S 4( 5g7) 0.00001 0.00000 0.00000 297. S 4( 5g8) 0.00000 0.00000 0.00000 298. S 4( 5g9) 0.00000 0.00000 0.00000 299. S 5( 1s ) 1.00000 1.00000 0.00000 300. S 5( 2s ) 1.00000 1.00000 0.00000 301. S 5( 3s ) 0.89610 0.89551 -0.00059 302. S 5( 4s ) 0.00204 0.00099 -0.00105 303. S 5( 6s ) 0.00005 0.00004 -0.00001 304. S 5( 5s ) 0.00000 0.00000 0.00000 305. S 5( 7s ) 0.00000 0.00000 0.00000 306. S 5( 9s ) 0.00000 0.00000 0.00000 307. S 5( 8s ) 0.00000 0.00000 0.00000 308. S 5( 2px) 1.00000 1.00000 0.00000 309. S 5( 3px) 0.58360 0.56976 -0.01384 310. S 5( 4px) 0.00201 0.00172 -0.00029 311. S 5( 5px) 0.00013 0.00021 0.00008 312. S 5( 6px) 0.00001 0.00000 0.00000 313. S 5( 7px) 0.00000 0.00000 0.00000 314. S 5( 2py) 1.00000 1.00000 0.00000 315. S 5( 3py) 0.84916 0.87958 0.03042 316. S 5( 4py) 0.00145 0.00118 -0.00027 317. S 5( 5py) 0.00011 0.00014 0.00003 318. S 5( 6py) 0.00000 0.00001 0.00000 319. S 5( 7py) 0.00000 0.00000 0.00000 320. S 5( 2pz) 1.00000 1.00000 0.00000 321. S 5( 3pz) 0.64962 0.65765 0.00803 322. S 5( 4pz) 0.00140 0.00141 0.00001 323. S 5( 5pz) 0.00012 0.00015 0.00003 324. S 5( 6pz) 0.00001 0.00001 0.00000 325. S 5( 7pz) 0.00000 0.00000 0.00000 326. S 5( 3d1) 0.00359 0.00410 0.00051 327. S 5( 4d1) 0.00005 0.00008 0.00003 328. S 5( 5d1) 0.00001 0.00001 0.00000 329. S 5( 6d1) 0.00000 0.00000 0.00000 330. S 5( 3d2) 0.00580 0.00557 -0.00023 331. S 5( 4d2) 0.00014 0.00019 0.00005 332. S 5( 5d2) 0.00001 0.00001 0.00000 333. S 5( 6d2) 0.00000 0.00000 0.00000 334. S 5( 3d3) 0.00386 0.00383 -0.00003 335. S 5( 4d3) 0.00005 0.00005 0.00000 336. S 5( 5d3) 0.00001 0.00000 0.00000 337. S 5( 6d3) 0.00000 0.00000 0.00000 338. S 5( 3d4) 0.00665 0.00588 -0.00077 339. S 5( 4d4) 0.00008 0.00003 -0.00004 340. S 5( 5d4) 0.00001 0.00001 0.00000 341. S 5( 6d4) 0.00000 0.00000 0.00000 342. S 5( 3d5) 0.00621 0.00655 0.00034 343. S 5( 4d5) 0.00011 0.00007 -0.00004 344. S 5( 5d5) 0.00001 0.00001 0.00000 345. S 5( 6d5) 0.00000 0.00000 0.00000 346. S 5( 4f1) 0.00016 0.00017 0.00002 347. S 5( 5f1) 0.00002 0.00002 0.00000 348. S 5( 4f2) 0.00032 0.00027 -0.00005 349. S 5( 5f2) 0.00001 0.00001 0.00000 350. S 5( 4f3) 0.00032 0.00032 0.00000 351. S 5( 5f3) 0.00001 0.00001 0.00000 352. S 5( 4f4) 0.00019 0.00016 -0.00003 353. S 5( 5f4) 0.00002 0.00001 0.00000 354. S 5( 4f5) 0.00020 0.00021 0.00001 355. S 5( 5f5) 0.00001 0.00001 0.00000 356. S 5( 4f6) 0.00037 0.00028 -0.00008 357. S 5( 5f6) 0.00001 0.00001 0.00000 358. S 5( 4f7) 0.00030 0.00025 -0.00005 359. S 5( 5f7) 0.00001 0.00002 0.00000 360. S 5( 5g1) 0.00001 0.00001 0.00000 361. S 5( 5g2) 0.00003 0.00003 0.00000 362. S 5( 5g3) 0.00002 0.00002 0.00000 363. S 5( 5g4) 0.00002 0.00002 0.00000 364. S 5( 5g5) 0.00002 0.00002 0.00000 365. S 5( 5g6) 0.00001 0.00001 0.00000 366. S 5( 5g7) 0.00001 0.00001 0.00000 367. S 5( 5g8) 0.00003 0.00003 0.00000 368. S 5( 5g9) 0.00003 0.00003 0.00000 369. S 6( 1s ) 1.00000 1.00000 0.00000 370. S 6( 2s ) 1.00000 1.00000 0.00000 371. S 6( 3s ) 0.88612 0.95207 0.06595 372. S 6( 4s ) 0.00145 0.00042 -0.00103 373. S 6( 5s ) 0.00004 0.00007 0.00003 374. S 6( 6s ) 0.00000 0.00001 0.00001 375. S 6( 7s ) 0.00000 0.00001 0.00001 376. S 6( 9s ) 0.00000 0.00000 0.00000 377. S 6( 8s ) 0.00000 0.00000 0.00000 378. S 6( 2px) 1.00000 1.00000 0.00000 379. S 6( 3px) 0.50767 0.55102 0.04335 380. S 6( 4px) 0.00156 0.00069 -0.00086 381. S 6( 5px) 0.00008 0.00024 0.00016 382. S 6( 6px) 0.00001 0.00002 0.00002 383. S 6( 7px) 0.00000 0.00000 0.00000 384. S 6( 2py) 1.00000 1.00000 0.00000 385. S 6( 3py) 0.78707 0.96749 0.18042 386. S 6( 4py) 0.00161 0.00101 -0.00059 387. S 6( 5py) 0.00011 0.00021 0.00010 388. S 6( 6py) 0.00000 0.00001 0.00001 389. S 6( 7py) 0.00000 0.00000 0.00000 390. S 6( 2pz) 1.00000 1.00000 0.00000 391. S 6( 3pz) 0.82721 0.96544 0.13824 392. S 6( 4pz) 0.00108 0.00217 0.00109 393. S 6( 5pz) 0.00012 0.00027 0.00015 394. S 6( 6pz) 0.00001 0.00001 0.00001 395. S 6( 7pz) 0.00000 0.00000 0.00000 396. S 6( 3d1) 0.00356 0.00245 -0.00111 397. S 6( 4d1) 0.00020 0.00019 -0.00001 398. S 6( 5d1) 0.00000 0.00000 0.00000 399. S 6( 6d1) 0.00000 0.00000 0.00000 400. S 6( 3d2) 0.00310 0.00163 -0.00147 401. S 6( 4d2) 0.00045 0.00045 0.00000 402. S 6( 5d2) 0.00001 0.00001 0.00000 403. S 6( 6d2) 0.00000 0.00000 0.00000 404. S 6( 3d3) 0.00340 0.00064 -0.00277 405. S 6( 4d3) 0.00038 0.00019 -0.00019 406. S 6( 5d3) 0.00001 0.00001 0.00000 407. S 6( 6d3) 0.00000 0.00000 0.00000 408. S 6( 3d4) 0.00468 0.00181 -0.00287 409. S 6( 4d4) 0.00037 0.00037 0.00000 410. S 6( 5d4) 0.00001 0.00000 0.00000 411. S 6( 6d4) 0.00000 0.00000 0.00000 412. S 6( 3d5) 0.00232 0.00092 -0.00139 413. S 6( 4d5) 0.00032 0.00021 -0.00011 414. S 6( 5d5) 0.00000 0.00001 0.00000 415. S 6( 6d5) 0.00000 0.00000 0.00000 416. S 6( 4f1) 0.00007 0.00008 0.00001 417. S 6( 5f1) 0.00003 0.00001 -0.00002 418. S 6( 4f2) 0.00014 0.00014 0.00000 419. S 6( 5f2) 0.00003 0.00001 -0.00002 420. S 6( 4f3) 0.00016 0.00004 -0.00012 421. S 6( 5f3) 0.00002 0.00001 -0.00001 422. S 6( 4f4) 0.00015 0.00014 -0.00001 423. S 6( 5f4) 0.00004 0.00001 -0.00002 424. S 6( 4f5) 0.00012 0.00005 -0.00007 425. S 6( 5f5) 0.00001 0.00000 -0.00001 426. S 6( 4f6) 0.00024 0.00027 0.00003 427. S 6( 5f6) 0.00002 0.00002 -0.00001 428. S 6( 4f7) 0.00017 0.00018 0.00001 429. S 6( 5f7) 0.00003 0.00002 -0.00001 430. S 6( 5g1) 0.00001 0.00001 -0.00001 431. S 6( 5g2) 0.00001 0.00001 0.00000 432. S 6( 5g3) 0.00001 0.00000 -0.00001 433. S 6( 5g4) 0.00002 0.00001 -0.00001 434. S 6( 5g5) 0.00001 0.00000 -0.00001 435. S 6( 5g6) 0.00001 0.00000 0.00000 436. S 6( 5g7) 0.00000 0.00000 0.00000 437. S 6( 5g8) 0.00002 0.00001 0.00000 438. S 6( 5g9) 0.00002 0.00002 0.00000 439. C 7( 1s ) 0.99999 0.99999 0.00000 440. C 7( 2s ) 0.60302 0.60031 -0.00271 441. C 7( 3s ) 0.00112 0.00094 -0.00018 442. C 7( 4s ) 0.00002 0.00002 0.00000 443. C 7( 5s ) 0.00000 0.00000 0.00000 444. C 7( 6s ) 0.00000 0.00000 0.00000 445. C 7( 7s ) 0.00000 0.00000 0.00000 446. C 7( 2px) 0.61620 0.61437 -0.00183 447. C 7( 3px) 0.00037 0.00028 -0.00009 448. C 7( 4px) 0.00007 0.00005 -0.00003 449. C 7( 5px) 0.00000 0.00000 0.00000 450. C 7( 2py) 0.61936 0.61971 0.00036 451. C 7( 3py) 0.00034 0.00034 0.00000 452. C 7( 4py) 0.00004 0.00004 0.00000 453. C 7( 5py) 0.00000 0.00000 0.00000 454. C 7( 2pz) 0.62224 0.61618 -0.00607 455. C 7( 3pz) 0.00092 0.00076 -0.00016 456. C 7( 4pz) 0.00006 0.00006 0.00000 457. C 7( 5pz) 0.00000 0.00000 0.00000 458. C 7( 3d1) 0.00094 0.00094 0.00000 459. C 7( 4d1) 0.00002 0.00002 0.00000 460. C 7( 5d1) 0.00000 0.00000 0.00000 461. C 7( 3d2) 0.00119 0.00113 -0.00007 462. C 7( 4d2) 0.00005 0.00005 -0.00001 463. C 7( 5d2) 0.00000 0.00000 0.00000 464. C 7( 3d3) 0.00066 0.00064 -0.00003 465. C 7( 4d3) 0.00007 0.00007 0.00000 466. C 7( 5d3) 0.00000 0.00000 0.00000 467. C 7( 3d4) 0.00086 0.00082 -0.00004 468. C 7( 4d4) 0.00003 0.00002 0.00000 469. C 7( 5d4) 0.00000 0.00000 0.00000 470. C 7( 3d5) 0.00123 0.00110 -0.00012 471. C 7( 4d5) 0.00009 0.00009 0.00000 472. C 7( 5d5) 0.00000 0.00000 0.00000 473. C 7( 4f1) 0.00014 0.00013 -0.00001 474. C 7( 5f1) 0.00001 0.00001 0.00000 475. C 7( 4f2) 0.00020 0.00019 -0.00001 476. C 7( 5f2) 0.00001 0.00001 0.00000 477. C 7( 4f3) 0.00007 0.00007 0.00000 478. C 7( 5f3) 0.00001 0.00001 0.00000 479. C 7( 4f4) 0.00012 0.00012 0.00000 480. C 7( 5f4) 0.00000 0.00000 0.00000 481. C 7( 4f5) 0.00019 0.00019 0.00000 482. C 7( 5f5) 0.00000 0.00000 0.00000 483. C 7( 4f6) 0.00002 0.00001 0.00000 484. C 7( 5f6) 0.00000 0.00000 0.00000 485. C 7( 4f7) 0.00018 0.00017 -0.00001 486. C 7( 5f7) 0.00000 0.00000 0.00000 487. C 7( 5g1) 0.00003 0.00003 0.00000 488. C 7( 5g2) 0.00006 0.00006 0.00000 489. C 7( 5g3) 0.00004 0.00004 0.00000 490. C 7( 5g4) 0.00004 0.00004 0.00000 491. C 7( 5g5) 0.00007 0.00007 0.00000 492. C 7( 5g6) 0.00005 0.00005 0.00000 493. C 7( 5g7) 0.00008 0.00008 0.00000 494. C 7( 5g8) 0.00005 0.00005 0.00000 495. C 7( 5g9) 0.00006 0.00006 0.00000 496. C 8( 1s ) 0.99999 0.99999 0.00000 497. C 8( 2s ) 0.60203 0.59874 -0.00329 498. C 8( 3s ) 0.00104 0.00099 -0.00005 499. C 8( 4s ) 0.00002 0.00002 0.00000 500. C 8( 6s ) 0.00000 0.00000 0.00000 501. C 8( 5s ) 0.00000 0.00000 0.00000 502. C 8( 7s ) 0.00000 0.00000 0.00000 503. C 8( 2px) 0.61922 0.61893 -0.00030 504. C 8( 3px) 0.00072 0.00053 -0.00019 505. C 8( 4px) 0.00009 0.00003 -0.00006 506. C 8( 5px) 0.00000 0.00000 0.00000 507. C 8( 2py) 0.61656 0.59830 -0.01827 508. C 8( 3py) 0.00064 0.00058 -0.00007 509. C 8( 4py) 0.00010 0.00009 -0.00001 510. C 8( 5py) 0.00000 0.00000 0.00000 511. C 8( 2pz) 0.62307 0.62052 -0.00255 512. C 8( 3pz) 0.00039 0.00037 -0.00002 513. C 8( 4pz) 0.00005 0.00004 -0.00001 514. C 8( 5pz) 0.00000 0.00000 0.00000 515. C 8( 3d1) 0.00043 0.00034 -0.00010 516. C 8( 4d1) 0.00010 0.00009 -0.00001 517. C 8( 5d1) 0.00000 0.00000 0.00000 518. C 8( 3d2) 0.00089 0.00083 -0.00006 519. C 8( 4d2) 0.00004 0.00004 -0.00001 520. C 8( 5d2) 0.00000 0.00000 0.00000 521. C 8( 3d3) 0.00119 0.00111 -0.00008 522. C 8( 4d3) 0.00004 0.00004 0.00000 523. C 8( 5d3) 0.00000 0.00000 0.00000 524. C 8( 3d4) 0.00160 0.00146 -0.00014 525. C 8( 4d4) 0.00003 0.00002 0.00000 526. C 8( 5d4) 0.00000 0.00000 0.00000 527. C 8( 3d5) 0.00083 0.00082 0.00000 528. C 8( 4d5) 0.00004 0.00004 0.00000 529. C 8( 5d5) 0.00000 0.00000 0.00000 530. C 8( 4f1) 0.00031 0.00030 -0.00001 531. C 8( 5f1) 0.00000 0.00000 0.00000 532. C 8( 4f2) 0.00008 0.00008 -0.00001 533. C 8( 5f2) 0.00000 0.00000 0.00000 534. C 8( 4f3) 0.00004 0.00003 0.00000 535. C 8( 5f3) 0.00001 0.00001 0.00000 536. C 8( 4f4) 0.00004 0.00003 0.00000 537. C 8( 5f4) 0.00001 0.00001 0.00000 538. C 8( 4f5) 0.00007 0.00006 -0.00001 539. C 8( 5f5) 0.00000 0.00000 0.00000 540. C 8( 4f6) 0.00002 0.00001 -0.00001 541. C 8( 5f6) 0.00001 0.00001 0.00000 542. C 8( 4f7) 0.00037 0.00034 -0.00003 543. C 8( 5f7) 0.00000 0.00000 0.00000 544. C 8( 5g1) 0.00010 0.00010 0.00000 545. C 8( 5g2) 0.00007 0.00007 0.00000 546. C 8( 5g3) 0.00007 0.00006 0.00000 547. C 8( 5g4) 0.00001 0.00001 0.00000 548. C 8( 5g5) 0.00003 0.00003 0.00000 549. C 8( 5g6) 0.00001 0.00001 0.00000 550. C 8( 5g7) 0.00006 0.00006 0.00000 551. C 8( 5g8) 0.00008 0.00007 0.00000 552. C 8( 5g9) 0.00006 0.00006 0.00000 553. C 9( 1s ) 0.99999 0.99999 0.00000 554. C 9( 2s ) 0.60254 0.60014 -0.00241 555. C 9( 3s ) 0.00105 0.00080 -0.00025 556. C 9( 4s ) 0.00002 0.00002 0.00000 557. C 9( 5s ) 0.00000 0.00000 0.00000 558. C 9( 6s ) 0.00000 0.00000 0.00000 559. C 9( 7s ) 0.00000 0.00000 0.00000 560. C 9( 2px) 0.61757 0.61285 -0.00472 561. C 9( 3px) 0.00062 0.00047 -0.00015 562. C 9( 4px) 0.00008 0.00009 0.00000 563. C 9( 5px) 0.00000 0.00000 0.00000 564. C 9( 2py) 0.61882 0.61735 -0.00148 565. C 9( 3py) 0.00057 0.00044 -0.00013 566. C 9( 4py) 0.00004 0.00004 0.00000 567. C 9( 5py) 0.00000 0.00000 0.00000 568. C 9( 2pz) 0.62031 0.61882 -0.00149 569. C 9( 3pz) 0.00037 0.00032 -0.00005 570. C 9( 4pz) 0.00003 0.00003 0.00000 571. C 9( 5pz) 0.00000 0.00000 0.00000 572. C 9( 3d1) 0.00125 0.00120 -0.00005 573. C 9( 4d1) 0.00004 0.00003 0.00000 574. C 9( 5d1) 0.00000 0.00000 0.00000 575. C 9( 3d2) 0.00131 0.00128 -0.00003 576. C 9( 4d2) 0.00004 0.00003 0.00000 577. C 9( 5d2) 0.00000 0.00000 0.00000 578. C 9( 3d3) 0.00097 0.00090 -0.00006 579. C 9( 4d3) 0.00006 0.00005 -0.00001 580. C 9( 5d3) 0.00000 0.00000 0.00000 581. C 9( 3d4) 0.00063 0.00060 -0.00003 582. C 9( 4d4) 0.00008 0.00007 -0.00001 583. C 9( 5d4) 0.00000 0.00000 0.00000 584. C 9( 3d5) 0.00067 0.00067 -0.00001 585. C 9( 4d5) 0.00005 0.00005 0.00000 586. C 9( 5d5) 0.00000 0.00000 0.00000 587. C 9( 4f1) 0.00022 0.00022 0.00000 588. C 9( 5f1) 0.00000 0.00000 0.00000 589. C 9( 4f2) 0.00012 0.00012 0.00000 590. C 9( 5f2) 0.00000 0.00000 0.00000 591. C 9( 4f3) 0.00006 0.00006 0.00000 592. C 9( 5f3) 0.00000 0.00000 0.00000 593. C 9( 4f4) 0.00004 0.00004 0.00000 594. C 9( 5f4) 0.00001 0.00001 0.00000 595. C 9( 4f5) 0.00013 0.00012 0.00000 596. C 9( 5f5) 0.00000 0.00000 0.00000 597. C 9( 4f6) 0.00006 0.00006 0.00000 598. C 9( 5f6) 0.00001 0.00001 0.00000 599. C 9( 4f7) 0.00028 0.00027 0.00000 600. C 9( 5f7) 0.00000 0.00000 0.00000 601. C 9( 5g1) 0.00007 0.00007 0.00000 602. C 9( 5g2) 0.00006 0.00006 0.00000 603. C 9( 5g3) 0.00006 0.00006 0.00000 604. C 9( 5g4) 0.00002 0.00002 0.00000 605. C 9( 5g5) 0.00005 0.00005 0.00000 606. C 9( 5g6) 0.00002 0.00002 0.00000 607. C 9( 5g7) 0.00006 0.00006 0.00000 608. C 9( 5g8) 0.00006 0.00006 0.00000 609. C 9( 5g9) 0.00007 0.00006 0.00000 610. P10( 1s ) 1.00000 1.00000 0.00000 611. P10( 2s ) 1.00000 1.00000 0.00000 612. P10( 3s ) 0.57337 0.56929 -0.00408 613. P10( 4s ) 0.00233 0.00213 -0.00020 614. P10( 5s ) 0.00005 0.00002 -0.00004 615. P10( 6s ) 0.00000 0.00000 0.00000 616. P10( 7s ) 0.00000 0.00000 0.00000 617. P10( 9s ) 0.00000 0.00000 0.00000 618. P10( 8s ) 0.00000 0.00000 0.00000 619. P10( 2px) 1.00000 1.00000 0.00000 620. P10( 3px) 0.48942 0.46535 -0.02407 621. P10( 4px) 0.00193 0.00173 -0.00020 622. P10( 5px) 0.00010 0.00005 -0.00005 623. P10( 6px) 0.00001 0.00001 -0.00001 624. P10( 7px) 0.00000 0.00000 0.00000 625. P10( 2py) 1.00000 1.00000 0.00000 626. P10( 3py) 0.41248 0.41085 -0.00163 627. P10( 4py) 0.00288 0.00172 -0.00116 628. P10( 5py) 0.00004 0.00003 -0.00002 629. P10( 6py) 0.00002 0.00001 -0.00001 630. P10( 7py) 0.00000 0.00000 0.00000 631. P10( 2pz) 1.00000 1.00000 0.00000 632. P10( 3pz) 0.36370 0.35921 -0.00449 633. P10( 4pz) 0.00160 0.00132 -0.00028 634. P10( 5pz) 0.00007 0.00004 -0.00003 635. P10( 6pz) 0.00002 0.00001 -0.00001 636. P10( 7pz) 0.00000 0.00000 0.00000 637. P10( 3d1) 0.00309 0.00271 -0.00039 638. P10( 4d1) 0.00107 0.00092 -0.00015 639. P10( 5d1) 0.00003 0.00003 0.00000 640. P10( 6d1) 0.00000 0.00000 0.00000 641. P10( 3d2) 0.00508 0.00399 -0.00108 642. P10( 4d2) 0.00033 0.00025 -0.00008 643. P10( 5d2) 0.00003 0.00002 -0.00001 644. P10( 6d2) 0.00000 0.00000 0.00000 645. P10( 3d3) 0.00420 0.00394 -0.00026 646. P10( 4d3) 0.00038 0.00017 -0.00022 647. P10( 5d3) 0.00002 0.00003 0.00000 648. P10( 6d3) 0.00000 0.00000 0.00000 649. P10( 3d4) 0.00513 0.00329 -0.00184 650. P10( 4d4) 0.00040 0.00029 -0.00011 651. P10( 5d4) 0.00003 0.00003 -0.00001 652. P10( 6d4) 0.00000 0.00000 0.00000 653. P10( 3d5) 0.00307 0.00308 0.00001 654. P10( 4d5) 0.00063 0.00060 -0.00004 655. P10( 5d5) 0.00002 0.00002 0.00000 656. P10( 6d5) 0.00000 0.00000 0.00000 657. P10( 4f1) 0.00020 0.00019 -0.00002 658. P10( 5f1) 0.00003 0.00002 0.00000 659. P10( 4f2) 0.00025 0.00026 0.00001 660. P10( 5f2) 0.00003 0.00003 0.00000 661. P10( 4f3) 0.00012 0.00012 0.00000 662. P10( 5f3) 0.00002 0.00002 0.00000 663. P10( 4f4) 0.00023 0.00017 -0.00007 664. P10( 5f4) 0.00002 0.00002 0.00000 665. P10( 4f5) 0.00023 0.00022 -0.00002 666. P10( 5f5) 0.00003 0.00003 0.00000 667. P10( 4f6) 0.00020 0.00016 -0.00003 668. P10( 5f6) 0.00004 0.00002 -0.00001 669. P10( 4f7) 0.00029 0.00030 0.00001 670. P10( 5f7) 0.00006 0.00005 0.00000 671. P10( 5g1) 0.00002 0.00002 0.00000 672. P10( 5g2) 0.00001 0.00001 0.00000 673. P10( 5g3) 0.00001 0.00001 0.00000 674. P10( 5g4) 0.00001 0.00001 0.00000 675. P10( 5g5) 0.00003 0.00002 0.00000 676. P10( 5g6) 0.00001 0.00001 0.00000 677. P10( 5g7) 0.00002 0.00001 0.00000 678. P10( 5g8) 0.00003 0.00003 0.00000 679. P10( 5g9) 0.00004 0.00003 -0.00001 680. C11( 1s ) 0.99999 0.99999 0.00000 681. C11( 2s ) 0.50603 0.50420 -0.00182 682. C11( 3s ) 0.00144 0.00104 -0.00040 683. C11( 4s ) 0.00004 0.00002 -0.00002 684. C11( 5s ) 0.00000 0.00000 0.00000 685. C11( 6s ) 0.00000 0.00000 0.00000 686. C11( 7s ) 0.00000 0.00000 0.00000 687. C11( 2px) 0.59905 0.59906 0.00001 688. C11( 3px) 0.00236 0.00214 -0.00022 689. C11( 4px) 0.00019 0.00012 -0.00007 690. C11( 5px) 0.00002 0.00003 0.00000 691. C11( 2py) 0.51613 0.42606 -0.09007 692. C11( 3py) 0.00188 0.00114 -0.00074 693. C11( 4py) 0.00035 0.00013 -0.00022 694. C11( 5py) 0.00001 0.00000 0.00000 695. C11( 2pz) 0.50254 0.50113 -0.00141 696. C11( 3pz) 0.00311 0.00276 -0.00035 697. C11( 4pz) 0.00010 0.00008 -0.00001 698. C11( 5pz) 0.00003 0.00003 0.00000 699. C11( 3d1) 0.00118 0.00116 -0.00002 700. C11( 4d1) 0.00005 0.00003 -0.00002 701. C11( 5d1) 0.00001 0.00000 0.00000 702. C11( 3d2) 0.00061 0.00058 -0.00003 703. C11( 4d2) 0.00015 0.00015 0.00000 704. C11( 5d2) 0.00000 0.00001 0.00000 705. C11( 3d3) 0.00013 0.00012 -0.00001 706. C11( 4d3) 0.00023 0.00021 -0.00002 707. C11( 5d3) 0.00000 0.00000 0.00000 708. C11( 3d4) 0.00093 0.00078 -0.00015 709. C11( 4d4) 0.00024 0.00023 0.00000 710. C11( 5d4) 0.00001 0.00001 0.00000 711. C11( 3d5) 0.00031 0.00026 -0.00005 712. C11( 4d5) 0.00038 0.00037 -0.00001 713. C11( 5d5) 0.00000 0.00000 0.00000 714. C11( 4f1) 0.00019 0.00019 0.00000 715. C11( 5f1) 0.00001 0.00001 0.00000 716. C11( 4f2) 0.00035 0.00035 0.00000 717. C11( 5f2) 0.00001 0.00001 0.00000 718. C11( 4f3) 0.00007 0.00006 -0.00001 719. C11( 5f3) 0.00000 0.00000 0.00000 720. C11( 4f4) 0.00017 0.00016 -0.00001 721. C11( 5f4) 0.00001 0.00001 0.00000 722. C11( 4f5) 0.00005 0.00005 -0.00001 723. C11( 5f5) 0.00001 0.00000 0.00000 724. C11( 4f6) 0.00038 0.00036 -0.00002 725. C11( 5f6) 0.00000 0.00000 0.00000 726. C11( 4f7) 0.00043 0.00037 -0.00006 727. C11( 5f7) 0.00000 0.00000 0.00000 728. C11( 5g1) 0.00005 0.00005 0.00000 729. C11( 5g2) 0.00009 0.00009 0.00000 730. C11( 5g3) 0.00000 0.00000 0.00000 731. C11( 5g4) 0.00006 0.00006 0.00000 732. C11( 5g5) 0.00007 0.00005 -0.00001 733. C11( 5g6) 0.00001 0.00001 0.00000 734. C11( 5g7) 0.00000 0.00000 0.00000 735. C11( 5g8) 0.00002 0.00001 0.00000 736. C11( 5g9) 0.00002 0.00001 -0.00001 737. C12( 1s ) 0.99999 0.99999 0.00000 738. C12( 2s ) 0.50554 0.50321 -0.00232 739. C12( 4s ) 0.00114 0.00053 -0.00061 740. C12( 3s ) 0.00003 0.00003 -0.00001 741. C12( 5s ) 0.00000 0.00000 0.00000 742. C12( 6s ) 0.00000 0.00000 0.00000 743. C12( 7s ) 0.00000 0.00000 0.00000 744. C12( 2px) 0.50980 0.50907 -0.00073 745. C12( 4px) 0.00283 0.00250 -0.00033 746. C12( 3px) 0.00013 0.00006 -0.00007 747. C12( 5px) 0.00003 0.00003 0.00000 748. C12( 2py) 0.49966 0.43822 -0.06144 749. C12( 4py) 0.00124 0.00040 -0.00084 750. C12( 3py) 0.00023 0.00018 -0.00005 751. C12( 5py) 0.00001 0.00001 0.00000 752. C12( 2pz) 0.59003 0.58971 -0.00032 753. C12( 4pz) 0.00236 0.00235 0.00000 754. C12( 3pz) 0.00017 0.00022 0.00005 755. C12( 5pz) 0.00002 0.00002 0.00000 756. C12( 3d1) 0.00021 0.00016 -0.00005 757. C12( 4d1) 0.00026 0.00024 -0.00003 758. C12( 5d1) 0.00000 0.00000 0.00000 759. C12( 3d2) 0.00059 0.00056 -0.00003 760. C12( 4d2) 0.00018 0.00018 0.00000 761. C12( 5d2) 0.00001 0.00001 0.00000 762. C12( 3d3) 0.00137 0.00124 -0.00013 763. C12( 4d3) 0.00007 0.00006 -0.00002 764. C12( 5d3) 0.00000 0.00000 0.00000 765. C12( 3d4) 0.00067 0.00049 -0.00018 766. C12( 4d4) 0.00028 0.00022 -0.00006 767. C12( 5d4) 0.00001 0.00000 0.00000 768. C12( 3d5) 0.00058 0.00054 -0.00005 769. C12( 4d5) 0.00028 0.00026 -0.00002 770. C12( 5d5) 0.00001 0.00001 0.00000 771. C12( 4f1) 0.00033 0.00032 -0.00001 772. C12( 5f1) 0.00001 0.00001 0.00000 773. C12( 4f2) 0.00027 0.00027 0.00000 774. C12( 5f2) 0.00001 0.00001 0.00000 775. C12( 4f3) 0.00032 0.00029 -0.00003 776. C12( 5f3) 0.00000 0.00000 0.00000 777. C12( 4f4) 0.00022 0.00021 -0.00001 778. C12( 5f4) 0.00001 0.00001 0.00000 779. C12( 4f5) 0.00007 0.00006 0.00000 780. C12( 5f5) 0.00000 0.00000 0.00000 781. C12( 4f6) 0.00017 0.00016 -0.00001 782. C12( 5f6) 0.00001 0.00001 0.00000 783. C12( 4f7) 0.00016 0.00014 -0.00002 784. C12( 5f7) 0.00001 0.00000 0.00000 785. C12( 5g1) 0.00006 0.00006 0.00000 786. C12( 5g2) 0.00009 0.00009 0.00000 787. C12( 5g3) 0.00003 0.00003 0.00000 788. C12( 5g4) 0.00005 0.00005 0.00000 789. C12( 5g5) 0.00003 0.00003 0.00000 790. C12( 5g6) 0.00002 0.00002 0.00000 791. C12( 5g7) 0.00002 0.00002 0.00000 792. C12( 5g8) 0.00001 0.00001 0.00000 793. C12( 5g9) 0.00001 0.00000 0.00000 794. C13( 1s ) 0.99999 0.99999 0.00000 795. C13( 2s ) 0.50174 0.50173 -0.00001 796. C13( 3s ) 0.00150 0.00104 -0.00045 797. C13( 4s ) 0.00004 0.00003 -0.00001 798. C13( 5s ) 0.00000 0.00000 0.00000 799. C13( 6s ) 0.00000 0.00000 0.00000 800. C13( 7s ) 0.00000 0.00000 0.00000 801. C13( 2px) 0.57150 0.56639 -0.00511 802. C13( 3px) 0.00243 0.00229 -0.00014 803. C13( 4px) 0.00017 0.00016 -0.00001 804. C13( 5px) 0.00002 0.00002 0.00000 805. C13( 2py) 0.52777 0.47864 -0.04913 806. C13( 3py) 0.00160 0.00063 -0.00097 807. C13( 4py) 0.00020 0.00016 -0.00004 808. C13( 5py) 0.00001 0.00001 0.00000 809. C13( 2pz) 0.52320 0.52617 0.00297 810. C13( 3pz) 0.00254 0.00246 -0.00007 811. C13( 4pz) 0.00010 0.00011 0.00001 812. C13( 5pz) 0.00003 0.00002 0.00000 813. C13( 3d1) 0.00109 0.00102 -0.00007 814. C13( 4d1) 0.00011 0.00010 -0.00001 815. C13( 5d1) 0.00001 0.00000 0.00000 816. C13( 3d2) 0.00034 0.00032 -0.00002 817. C13( 4d2) 0.00036 0.00036 0.00000 818. C13( 5d2) 0.00000 0.00000 0.00000 819. C13( 3d3) 0.00048 0.00042 -0.00006 820. C13( 4d3) 0.00020 0.00019 -0.00001 821. C13( 5d3) 0.00000 0.00000 0.00000 822. C13( 3d4) 0.00094 0.00090 -0.00004 823. C13( 4d4) 0.00017 0.00016 0.00000 824. C13( 5d4) 0.00001 0.00001 0.00000 825. C13( 3d5) 0.00072 0.00064 -0.00008 826. C13( 4d5) 0.00019 0.00017 -0.00001 827. C13( 5d5) 0.00001 0.00000 0.00000 828. C13( 4f1) 0.00025 0.00024 0.00000 829. C13( 5f1) 0.00001 0.00001 0.00000 830. C13( 4f2) 0.00019 0.00019 0.00000 831. C13( 5f2) 0.00001 0.00001 0.00000 832. C13( 4f3) 0.00011 0.00010 -0.00001 833. C13( 5f3) 0.00001 0.00000 0.00000 834. C13( 4f4) 0.00030 0.00030 0.00000 835. C13( 5f4) 0.00001 0.00001 0.00000 836. C13( 4f5) 0.00012 0.00012 0.00000 837. C13( 5f5) 0.00000 0.00000 0.00000 838. C13( 4f6) 0.00023 0.00023 0.00000 839. C13( 5f6) 0.00000 0.00000 0.00000 840. C13( 4f7) 0.00033 0.00030 -0.00002 841. C13( 5f7) 0.00000 0.00000 0.00000 842. C13( 5g1) 0.00006 0.00006 0.00000 843. C13( 5g2) 0.00007 0.00007 0.00000 844. C13( 5g3) 0.00003 0.00002 0.00000 845. C13( 5g4) 0.00003 0.00003 0.00000 846. C13( 5g5) 0.00000 0.00000 0.00000 847. C13( 5g6) 0.00003 0.00003 0.00000 848. C13( 5g7) 0.00005 0.00005 0.00000 849. C13( 5g8) 0.00001 0.00001 0.00000 850. C13( 5g9) 0.00000 0.00000 0.00000 851. C14( 1s ) 0.99999 0.99999 0.00000 852. C14( 2s ) 0.50191 0.50200 0.00009 853. C14( 3s ) 0.00157 0.00102 -0.00055 854. C14( 4s ) 0.00004 0.00003 -0.00001 855. C14( 5s ) 0.00000 0.00000 0.00000 856. C14( 6s ) 0.00000 0.00000 0.00000 857. C14( 7s ) 0.00000 0.00000 0.00000 858. C14( 2px) 0.55976 0.55395 -0.00581 859. C14( 3px) 0.00256 0.00230 -0.00026 860. C14( 4px) 0.00016 0.00015 0.00000 861. C14( 5px) 0.00002 0.00002 0.00000 862. C14( 2py) 0.52580 0.46833 -0.05747 863. C14( 3py) 0.00176 0.00063 -0.00113 864. C14( 4py) 0.00023 0.00018 -0.00006 865. C14( 5py) 0.00001 0.00001 0.00000 866. C14( 2pz) 0.53858 0.54037 0.00179 867. C14( 3pz) 0.00252 0.00245 -0.00007 868. C14( 4pz) 0.00010 0.00013 0.00003 869. C14( 5pz) 0.00003 0.00002 0.00000 870. C14( 3d1) 0.00095 0.00086 -0.00008 871. C14( 4d1) 0.00014 0.00013 -0.00001 872. C14( 5d1) 0.00000 0.00000 0.00000 873. C14( 3d2) 0.00025 0.00024 -0.00001 874. C14( 4d2) 0.00040 0.00040 0.00000 875. C14( 5d2) 0.00000 0.00000 0.00000 876. C14( 3d3) 0.00064 0.00061 -0.00003 877. C14( 4d3) 0.00018 0.00017 -0.00001 878. C14( 5d3) 0.00000 0.00000 0.00000 879. C14( 3d4) 0.00101 0.00090 -0.00012 880. C14( 4d4) 0.00017 0.00016 -0.00001 881. C14( 5d4) 0.00001 0.00001 0.00000 882. C14( 3d5) 0.00077 0.00069 -0.00009 883. C14( 4d5) 0.00017 0.00015 -0.00002 884. C14( 5d5) 0.00001 0.00001 0.00000 885. C14( 4f1) 0.00024 0.00024 0.00000 886. C14( 5f1) 0.00001 0.00001 0.00000 887. C14( 4f2) 0.00026 0.00026 0.00000 888. C14( 5f2) 0.00001 0.00001 0.00000 889. C14( 4f3) 0.00014 0.00012 -0.00002 890. C14( 5f3) 0.00001 0.00001 0.00000 891. C14( 4f4) 0.00032 0.00032 0.00000 892. C14( 5f4) 0.00001 0.00001 0.00000 893. C14( 4f5) 0.00012 0.00012 0.00000 894. C14( 5f5) 0.00000 0.00000 0.00000 895. C14( 4f6) 0.00020 0.00020 0.00000 896. C14( 5f6) 0.00001 0.00000 0.00000 897. C14( 4f7) 0.00025 0.00022 -0.00003 898. C14( 5f7) 0.00000 0.00000 0.00000 899. C14( 5g1) 0.00006 0.00006 0.00000 900. C14( 5g2) 0.00007 0.00007 0.00000 901. C14( 5g3) 0.00002 0.00002 0.00000 902. C14( 5g4) 0.00004 0.00004 0.00000 903. C14( 5g5) 0.00003 0.00002 0.00000 904. C14( 5g6) 0.00002 0.00002 0.00000 905. C14( 5g7) 0.00004 0.00004 0.00000 906. C14( 5g8) 0.00001 0.00001 0.00000 907. C14( 5g9) 0.00000 0.00000 0.00000 908. C15( 1s ) 0.99999 0.99999 0.00000 909. C15( 2s ) 0.50562 0.50307 -0.00255 910. C15( 4s ) 0.00117 0.00055 -0.00062 911. C15( 3s ) 0.00004 0.00003 -0.00001 912. C15( 5s ) 0.00000 0.00000 0.00000 913. C15( 6s ) 0.00000 0.00000 0.00000 914. C15( 7s ) 0.00000 0.00000 0.00000 915. C15( 2px) 0.51691 0.51599 -0.00092 916. C15( 4px) 0.00284 0.00251 -0.00033 917. C15( 3px) 0.00014 0.00006 -0.00008 918. C15( 5px) 0.00003 0.00003 0.00000 919. C15( 2py) 0.49409 0.43919 -0.05491 920. C15( 4py) 0.00125 0.00037 -0.00089 921. C15( 3py) 0.00024 0.00020 -0.00004 922. C15( 5py) 0.00001 0.00001 0.00000 923. C15( 2pz) 0.58580 0.58643 0.00062 924. C15( 4pz) 0.00243 0.00243 0.00000 925. C15( 3pz) 0.00014 0.00017 0.00003 926. C15( 5pz) 0.00002 0.00002 0.00000 927. C15( 3d1) 0.00036 0.00032 -0.00004 928. C15( 4d1) 0.00024 0.00020 -0.00004 929. C15( 5d1) 0.00000 0.00000 0.00000 930. C15( 3d2) 0.00042 0.00040 -0.00002 931. C15( 4d2) 0.00027 0.00027 0.00000 932. C15( 5d2) 0.00001 0.00000 0.00000 933. C15( 3d3) 0.00117 0.00108 -0.00009 934. C15( 4d3) 0.00009 0.00006 -0.00003 935. C15( 5d3) 0.00001 0.00000 0.00000 936. C15( 3d4) 0.00078 0.00058 -0.00021 937. C15( 4d4) 0.00026 0.00020 -0.00006 938. C15( 5d4) 0.00001 0.00000 0.00000 939. C15( 3d5) 0.00064 0.00057 -0.00007 940. C15( 4d5) 0.00023 0.00022 -0.00001 941. C15( 5d5) 0.00001 0.00001 0.00000 942. C15( 4f1) 0.00028 0.00027 -0.00001 943. C15( 5f1) 0.00001 0.00001 0.00000 944. C15( 4f2) 0.00037 0.00037 0.00000 945. C15( 5f2) 0.00001 0.00001 0.00000 946. C15( 4f3) 0.00023 0.00021 -0.00001 947. C15( 5f3) 0.00000 0.00000 0.00000 948. C15( 4f4) 0.00026 0.00025 -0.00001 949. C15( 5f4) 0.00001 0.00001 0.00000 950. C15( 4f5) 0.00008 0.00007 -0.00001 951. C15( 5f5) 0.00000 0.00000 0.00000 952. C15( 4f6) 0.00017 0.00017 -0.00001 953. C15( 5f6) 0.00001 0.00001 0.00000 954. C15( 4f7) 0.00015 0.00013 -0.00002 955. C15( 5f7) 0.00001 0.00000 0.00000 956. C15( 5g1) 0.00005 0.00005 0.00000 957. C15( 5g2) 0.00011 0.00011 0.00000 958. C15( 5g3) 0.00001 0.00001 0.00000 959. C15( 5g4) 0.00005 0.00005 0.00000 960. C15( 5g5) 0.00006 0.00006 -0.00001 961. C15( 5g6) 0.00001 0.00001 0.00000 962. C15( 5g7) 0.00000 0.00000 0.00000 963. C15( 5g8) 0.00001 0.00001 0.00000 964. C15( 5g9) 0.00001 0.00001 0.00000 965. H16( 1s ) 0.38787 0.38505 -0.00282 966. H16( 3s ) 0.00037 0.00032 -0.00005 967. H16( 2s ) 0.00009 0.00008 -0.00001 968. H16( 4s ) 0.00000 0.00000 0.00000 969. H16( 2px) 0.00044 0.00042 -0.00002 970. H16( 3px) 0.00001 0.00001 0.00000 971. H16( 4px) 0.00001 0.00000 0.00000 972. H16( 2py) 0.00030 0.00029 -0.00001 973. H16( 3py) 0.00001 0.00001 0.00000 974. H16( 4py) 0.00001 0.00001 0.00000 975. H16( 2pz) 0.00019 0.00018 -0.00001 976. H16( 3pz) 0.00002 0.00002 0.00000 977. H16( 4pz) 0.00001 0.00001 0.00000 978. H16( 3d1) 0.00005 0.00005 0.00000 979. H16( 4d1) 0.00000 0.00000 0.00000 980. H16( 3d2) 0.00005 0.00005 0.00000 981. H16( 4d2) 0.00000 0.00000 0.00000 982. H16( 3d3) 0.00002 0.00002 0.00000 983. H16( 4d3) 0.00000 0.00000 0.00000 984. H16( 3d4) 0.00006 0.00006 0.00000 985. H16( 4d4) 0.00000 0.00000 0.00000 986. H16( 3d5) 0.00002 0.00002 0.00000 987. H16( 4d5) 0.00000 0.00000 0.00000 988. H16( 4f1) 0.00000 0.00000 0.00000 989. H16( 4f2) 0.00001 0.00001 0.00000 990. H16( 4f3) 0.00000 0.00000 0.00000 991. H16( 4f4) 0.00000 0.00000 0.00000 992. H16( 4f5) 0.00000 0.00000 0.00000 993. H16( 4f6) 0.00000 0.00000 0.00000 994. H16( 4f7) 0.00002 0.00002 0.00000 995. H17( 1s ) 0.38368 0.38369 0.00001 996. H17( 3s ) 0.00017 0.00015 -0.00001 997. H17( 2s ) 0.00006 0.00006 0.00000 998. H17( 4s ) 0.00000 0.00000 0.00000 999. H17( 2px) 0.00027 0.00028 0.00001 1000. H17( 3px) 0.00001 0.00001 0.00000 1001. H17( 4px) 0.00001 0.00000 0.00000 1002. H17( 2py) 0.00043 0.00042 -0.00001 1003. H17( 3py) 0.00001 0.00001 0.00000 1004. H17( 4py) 0.00000 0.00000 0.00000 1005. H17( 2pz) 0.00019 0.00020 0.00001 1006. H17( 3pz) 0.00002 0.00002 0.00000 1007. H17( 4pz) 0.00001 0.00001 0.00000 1008. H17( 3d1) 0.00005 0.00005 0.00000 1009. H17( 4d1) 0.00000 0.00000 0.00000 1010. H17( 3d2) 0.00002 0.00002 0.00000 1011. H17( 4d2) 0.00000 0.00000 0.00000 1012. H17( 3d3) 0.00004 0.00004 0.00000 1013. H17( 4d3) 0.00000 0.00000 0.00000 1014. H17( 3d4) 0.00004 0.00004 0.00000 1015. H17( 4d4) 0.00000 0.00000 0.00000 1016. H17( 3d5) 0.00003 0.00003 0.00000 1017. H17( 4d5) 0.00000 0.00000 0.00000 1018. H17( 4f1) 0.00001 0.00001 0.00000 1019. H17( 4f2) 0.00000 0.00000 0.00000 1020. H17( 4f3) 0.00001 0.00001 0.00000 1021. H17( 4f4) 0.00002 0.00002 0.00000 1022. H17( 4f5) 0.00001 0.00001 0.00000 1023. H17( 4f6) 0.00000 0.00000 0.00000 1024. H17( 4f7) 0.00001 0.00001 0.00000 1025. H18( 1s ) 0.37636 0.37540 -0.00096 1026. H18( 3s ) 0.00026 0.00011 -0.00015 1027. H18( 2s ) 0.00005 0.00005 -0.00001 1028. H18( 4s ) 0.00000 0.00000 0.00000 1029. H18( 2px) 0.00029 0.00025 -0.00004 1030. H18( 3px) 0.00001 0.00001 0.00000 1031. H18( 4px) 0.00000 0.00000 0.00000 1032. H18( 2py) 0.00036 0.00035 -0.00001 1033. H18( 3py) 0.00001 0.00001 0.00000 1034. H18( 4py) 0.00000 0.00000 0.00000 1035. H18( 2pz) 0.00020 0.00018 -0.00002 1036. H18( 3pz) 0.00002 0.00001 0.00000 1037. H18( 4pz) 0.00001 0.00001 0.00000 1038. H18( 3d1) 0.00003 0.00003 0.00000 1039. H18( 4d1) 0.00000 0.00000 0.00000 1040. H18( 3d2) 0.00003 0.00003 0.00000 1041. H18( 4d2) 0.00000 0.00000 0.00000 1042. H18( 3d3) 0.00003 0.00003 0.00000 1043. H18( 4d3) 0.00000 0.00000 0.00000 1044. H18( 3d4) 0.00005 0.00005 0.00000 1045. H18( 4d4) 0.00000 0.00000 0.00000 1046. H18( 3d5) 0.00003 0.00003 0.00000 1047. H18( 4d5) 0.00000 0.00000 0.00000 1048. H18( 4f1) 0.00001 0.00001 0.00000 1049. H18( 4f2) 0.00000 0.00000 0.00000 1050. H18( 4f3) 0.00000 0.00000 0.00000 1051. H18( 4f4) 0.00000 0.00000 0.00000 1052. H18( 4f5) 0.00002 0.00002 0.00000 1053. H18( 4f6) 0.00000 0.00000 0.00000 1054. H18( 4f7) 0.00001 0.00001 0.00000 1055. H19( 1s ) 0.38821 0.38184 -0.00636 1056. H19( 3s ) 0.00036 0.00026 -0.00011 1057. H19( 2s ) 0.00009 0.00007 -0.00001 1058. H19( 4s ) 0.00000 0.00000 0.00000 1059. H19( 2px) 0.00048 0.00044 -0.00003 1060. H19( 3px) 0.00000 0.00000 0.00000 1061. H19( 4px) 0.00001 0.00000 0.00000 1062. H19( 2py) 0.00017 0.00016 -0.00001 1063. H19( 3py) 0.00002 0.00002 0.00000 1064. H19( 4py) 0.00001 0.00001 0.00000 1065. H19( 2pz) 0.00023 0.00022 -0.00001 1066. H19( 3pz) 0.00001 0.00001 0.00000 1067. H19( 4pz) 0.00001 0.00001 0.00000 1068. H19( 3d1) 0.00005 0.00004 0.00000 1069. H19( 4d1) 0.00000 0.00000 0.00000 1070. H19( 3d2) 0.00006 0.00006 0.00000 1071. H19( 4d2) 0.00000 0.00000 0.00000 1072. H19( 3d3) 0.00003 0.00003 0.00000 1073. H19( 4d3) 0.00000 0.00000 0.00000 1074. H19( 3d4) 0.00005 0.00005 0.00000 1075. H19( 4d4) 0.00000 0.00000 0.00000 1076. H19( 3d5) 0.00001 0.00001 0.00000 1077. H19( 4d5) 0.00000 0.00000 0.00000 1078. H19( 4f1) 0.00000 0.00000 0.00000 1079. H19( 4f2) 0.00001 0.00001 0.00000 1080. H19( 4f3) 0.00000 0.00000 0.00000 1081. H19( 4f4) 0.00000 0.00000 0.00000 1082. H19( 4f5) 0.00000 0.00000 0.00000 1083. H19( 4f6) 0.00001 0.00001 0.00000 1084. H19( 4f7) 0.00002 0.00002 0.00000 1085. H20( 1s ) 0.37511 0.37455 -0.00056 1086. H20( 3s ) 0.00017 0.00011 -0.00006 1087. H20( 2s ) 0.00010 0.00004 -0.00005 1088. H20( 4s ) 0.00000 0.00000 0.00000 1089. H20( 2px) 0.00032 0.00030 -0.00002 1090. H20( 3px) 0.00001 0.00001 0.00000 1091. H20( 4px) 0.00000 0.00000 0.00000 1092. H20( 2py) 0.00026 0.00022 -0.00003 1093. H20( 3py) 0.00002 0.00001 0.00000 1094. H20( 4py) 0.00000 0.00000 0.00000 1095. H20( 2pz) 0.00034 0.00029 -0.00005 1096. H20( 3pz) 0.00001 0.00001 0.00000 1097. H20( 4pz) 0.00000 0.00000 0.00000 1098. H20( 3d1) 0.00003 0.00003 0.00000 1099. H20( 4d1) 0.00000 0.00000 0.00000 1100. H20( 3d2) 0.00003 0.00003 0.00000 1101. H20( 4d2) 0.00000 0.00000 0.00000 1102. H20( 3d3) 0.00003 0.00003 0.00000 1103. H20( 4d3) 0.00000 0.00000 0.00000 1104. H20( 3d4) 0.00005 0.00005 0.00000 1105. H20( 4d4) 0.00000 0.00000 0.00000 1106. H20( 3d5) 0.00003 0.00003 0.00000 1107. H20( 4d5) 0.00000 0.00000 0.00000 1108. H20( 4f1) 0.00001 0.00001 0.00000 1109. H20( 4f2) 0.00000 0.00000 0.00000 1110. H20( 4f3) 0.00000 0.00000 0.00000 1111. H20( 4f4) 0.00000 0.00000 0.00000 1112. H20( 4f5) 0.00001 0.00001 0.00000 1113. H20( 4f6) 0.00000 0.00000 0.00000 1114. H20( 4f7) 0.00001 0.00001 0.00000 1115. H21( 1s ) 0.37816 0.37752 -0.00064 1116. H21( 3s ) 0.00017 0.00009 -0.00007 1117. H21( 2s ) 0.00005 0.00004 -0.00001 1118. H21( 4s ) 0.00000 0.00000 0.00000 1119. H21( 2px) 0.00026 0.00022 -0.00003 1120. H21( 3px) 0.00001 0.00001 -0.00001 1121. H21( 4px) 0.00000 0.00000 0.00000 1122. H21( 2py) 0.00013 0.00011 -0.00002 1123. H21( 3py) 0.00002 0.00001 0.00000 1124. H21( 4py) 0.00001 0.00001 0.00000 1125. H21( 2pz) 0.00046 0.00045 -0.00001 1126. H21( 3pz) 0.00001 0.00001 0.00000 1127. H21( 4pz) 0.00000 0.00000 0.00000 1128. H21( 3d1) 0.00000 0.00000 0.00000 1129. H21( 4d1) 0.00000 0.00000 0.00000 1130. H21( 3d2) 0.00007 0.00007 0.00000 1131. H21( 4d2) 0.00000 0.00000 0.00000 1132. H21( 3d3) 0.00006 0.00006 0.00000 1133. H21( 4d3) 0.00000 0.00000 0.00000 1134. H21( 3d4) 0.00001 0.00001 0.00000 1135. H21( 4d4) 0.00000 0.00000 0.00000 1136. H21( 3d5) 0.00004 0.00004 0.00000 1137. H21( 4d5) 0.00000 0.00000 0.00000 1138. H21( 4f1) 0.00003 0.00003 0.00000 1139. H21( 4f2) 0.00001 0.00001 0.00000 1140. H21( 4f3) 0.00001 0.00001 0.00000 1141. H21( 4f4) 0.00000 0.00000 0.00000 1142. H21( 4f5) 0.00000 0.00000 0.00000 1143. H21( 4f6) 0.00000 0.00000 0.00000 1144. H21( 4f7) 0.00000 0.00000 0.00000 1145. H22( 1s ) 0.38614 0.38679 0.00065 1146. H22( 3s ) 0.00037 0.00037 0.00000 1147. H22( 2s ) 0.00008 0.00007 -0.00001 1148. H22( 4s ) 0.00000 0.00000 0.00000 1149. H22( 2px) 0.00032 0.00031 0.00000 1150. H22( 3px) 0.00001 0.00001 0.00000 1151. H22( 4px) 0.00001 0.00001 0.00000 1152. H22( 2py) 0.00036 0.00035 -0.00001 1153. H22( 3py) 0.00001 0.00001 0.00000 1154. H22( 4py) 0.00001 0.00000 0.00000 1155. H22( 2pz) 0.00025 0.00024 0.00000 1156. H22( 3pz) 0.00001 0.00001 0.00000 1157. H22( 4pz) 0.00000 0.00000 0.00000 1158. H22( 3d1) 0.00003 0.00003 0.00000 1159. H22( 4d1) 0.00000 0.00000 0.00000 1160. H22( 3d2) 0.00005 0.00005 0.00000 1161. H22( 4d2) 0.00000 0.00000 0.00000 1162. H22( 3d3) 0.00003 0.00003 0.00000 1163. H22( 4d3) 0.00000 0.00000 0.00000 1164. H22( 3d4) 0.00007 0.00007 0.00000 1165. H22( 4d4) 0.00000 0.00000 0.00000 1166. H22( 3d5) 0.00001 0.00001 0.00000 1167. H22( 4d5) 0.00000 0.00000 0.00000 1168. H22( 4f1) 0.00000 0.00000 0.00000 1169. H22( 4f2) 0.00001 0.00001 0.00000 1170. H22( 4f3) 0.00000 0.00000 0.00000 1171. H22( 4f4) 0.00000 0.00000 0.00000 1172. H22( 4f5) 0.00000 0.00000 0.00000 1173. H22( 4f6) 0.00001 0.00001 0.00000 1174. H22( 4f7) 0.00002 0.00002 0.00000 1175. H23( 1s ) 0.38048 0.38050 0.00002 1176. H23( 3s ) 0.00015 0.00012 -0.00003 1177. H23( 2s ) 0.00006 0.00005 -0.00001 1178. H23( 4s ) 0.00000 0.00000 0.00000 1179. H23( 2px) 0.00023 0.00023 0.00000 1180. H23( 3px) 0.00002 0.00002 0.00000 1181. H23( 4px) 0.00001 0.00000 0.00000 1182. H23( 2py) 0.00022 0.00021 -0.00001 1183. H23( 3py) 0.00001 0.00001 0.00000 1184. H23( 4py) 0.00001 0.00000 0.00000 1185. H23( 2pz) 0.00043 0.00043 0.00000 1186. H23( 3pz) 0.00001 0.00001 0.00000 1187. H23( 4pz) 0.00000 0.00000 0.00000 1188. H23( 3d1) 0.00001 0.00001 0.00000 1189. H23( 4d1) 0.00000 0.00000 0.00000 1190. H23( 3d2) 0.00005 0.00005 0.00000 1191. H23( 4d2) 0.00000 0.00000 0.00000 1192. H23( 3d3) 0.00006 0.00006 0.00000 1193. H23( 4d3) 0.00000 0.00000 0.00000 1194. H23( 3d4) 0.00001 0.00001 0.00000 1195. H23( 4d4) 0.00000 0.00000 0.00000 1196. H23( 3d5) 0.00004 0.00004 0.00000 1197. H23( 4d5) 0.00000 0.00000 0.00000 1198. H23( 4f1) 0.00002 0.00002 0.00000 1199. H23( 4f2) 0.00001 0.00001 0.00000 1200. H23( 4f3) 0.00001 0.00001 0.00000 1201. H23( 4f4) 0.00000 0.00000 0.00000 1202. H23( 4f5) 0.00000 0.00000 0.00000 1203. H23( 4f6) 0.00000 0.00000 0.00000 1204. H23( 4f7) 0.00000 0.00000 0.00000 1205. H24( 1s ) 0.38604 0.38606 0.00002 1206. H24( 3s ) 0.00015 0.00012 -0.00003 1207. H24( 2s ) 0.00006 0.00007 0.00001 1208. H24( 4s ) 0.00000 0.00000 0.00000 1209. H24( 2px) 0.00020 0.00020 0.00000 1210. H24( 3px) 0.00002 0.00002 0.00000 1211. H24( 4px) 0.00001 0.00001 0.00000 1212. H24( 2py) 0.00036 0.00035 -0.00001 1213. H24( 3py) 0.00001 0.00001 0.00000 1214. H24( 4py) 0.00001 0.00001 0.00000 1215. H24( 2pz) 0.00027 0.00026 -0.00001 1216. H24( 3pz) 0.00001 0.00001 0.00000 1217. H24( 4pz) 0.00001 0.00001 0.00000 1218. H24( 3d1) 0.00004 0.00004 0.00000 1219. H24( 4d1) 0.00000 0.00000 0.00000 1220. H24( 3d2) 0.00002 0.00002 0.00000 1221. H24( 4d2) 0.00000 0.00000 0.00000 1222. H24( 3d3) 0.00004 0.00004 0.00000 1223. H24( 4d3) 0.00000 0.00000 0.00000 1224. H24( 3d4) 0.00005 0.00005 0.00000 1225. H24( 4d4) 0.00000 0.00000 0.00000 1226. H24( 3d5) 0.00004 0.00004 0.00000 1227. H24( 4d5) 0.00000 0.00000 0.00000 1228. H24( 4f1) 0.00001 0.00001 0.00000 1229. H24( 4f2) 0.00000 0.00000 0.00000 1230. H24( 4f3) 0.00000 0.00000 0.00000 1231. H24( 4f4) 0.00001 0.00001 0.00000 1232. H24( 4f5) 0.00001 0.00001 0.00000 1233. H24( 4f6) 0.00001 0.00001 0.00000 1234. H24( 4f7) 0.00001 0.00001 0.00000 1235. H25( 1s ) 0.36888 0.36752 -0.00137 1236. H25( 3s ) 0.00036 0.00016 -0.00020 1237. H25( 2s ) 0.00017 0.00012 -0.00005 1238. H25( 4s ) 0.00000 0.00000 0.00000 1239. H25( 2px) 0.00035 0.00033 -0.00002 1240. H25( 3px) 0.00008 0.00007 0.00000 1241. H25( 4px) 0.00001 0.00001 0.00000 1242. H25( 2py) 0.00012 0.00007 -0.00006 1243. H25( 3py) 0.00009 0.00002 -0.00007 1244. H25( 4py) 0.00001 0.00000 0.00000 1245. H25( 2pz) 0.00017 0.00011 -0.00006 1246. H25( 3pz) 0.00002 0.00000 -0.00001 1247. H25( 4pz) 0.00001 0.00001 0.00000 1248. H25( 3d1) 0.00006 0.00005 -0.00001 1249. H25( 4d1) 0.00000 0.00000 0.00000 1250. H25( 3d2) 0.00007 0.00007 0.00000 1251. H25( 4d2) 0.00000 0.00000 0.00000 1252. H25( 3d3) 0.00001 0.00000 0.00000 1253. H25( 4d3) 0.00000 0.00000 0.00000 1254. H25( 3d4) 0.00005 0.00005 0.00000 1255. H25( 4d4) 0.00000 0.00000 0.00000 1256. H25( 3d5) 0.00003 0.00003 0.00000 1257. H25( 4d5) 0.00000 0.00000 0.00000 1258. H25( 4f1) 0.00000 0.00000 0.00000 1259. H25( 4f2) 0.00001 0.00001 0.00000 1260. H25( 4f3) 0.00000 0.00000 0.00000 1261. H25( 4f4) 0.00001 0.00001 0.00000 1262. H25( 4f5) 0.00000 0.00000 0.00000 1263. H25( 4f6) 0.00002 0.00002 0.00000 1264. H25( 4f7) 0.00000 0.00000 0.00000 1265. H26( 1s ) 0.37314 0.37368 0.00054 1266. H26( 3s ) 0.00032 0.00021 -0.00010 1267. H26( 2s ) 0.00020 0.00014 -0.00006 1268. H26( 4s ) 0.00000 0.00000 0.00000 1269. H26( 2px) 0.00019 0.00016 -0.00003 1270. H26( 3px) 0.00003 0.00002 -0.00001 1271. H26( 4px) 0.00000 0.00000 0.00000 1272. H26( 2py) 0.00009 0.00007 -0.00002 1273. H26( 3py) 0.00005 0.00006 0.00001 1274. H26( 4py) 0.00000 0.00000 0.00000 1275. H26( 2pz) 0.00036 0.00036 0.00000 1276. H26( 3pz) 0.00005 0.00005 0.00000 1277. H26( 4pz) 0.00000 0.00000 0.00000 1278. H26( 3d1) 0.00001 0.00001 0.00000 1279. H26( 4d1) 0.00000 0.00000 0.00000 1280. H26( 3d2) 0.00006 0.00006 0.00000 1281. H26( 4d2) 0.00000 0.00000 0.00000 1282. H26( 3d3) 0.00005 0.00004 0.00000 1283. H26( 4d3) 0.00000 0.00000 0.00000 1284. H26( 3d4) 0.00001 0.00001 0.00000 1285. H26( 4d4) 0.00000 0.00000 0.00000 1286. H26( 3d5) 0.00008 0.00008 0.00000 1287. H26( 4d5) 0.00000 0.00000 0.00000 1288. H26( 4f1) 0.00002 0.00002 0.00000 1289. H26( 4f2) 0.00001 0.00001 0.00000 1290. H26( 4f3) 0.00000 0.00000 0.00000 1291. H26( 4f4) 0.00000 0.00000 0.00000 1292. H26( 4f5) 0.00000 0.00000 0.00000 1293. H26( 4f6) 0.00000 0.00000 0.00000 1294. H26( 4f7) 0.00000 0.00000 0.00000 1295. H27( 1s ) 0.37851 0.37737 -0.00114 1296. H27( 3s ) 0.00037 0.00025 -0.00012 1297. H27( 2s ) 0.00017 0.00023 0.00006 1298. H27( 4s ) 0.00000 0.00000 0.00000 1299. H27( 2px) 0.00032 0.00032 0.00000 1300. H27( 3px) 0.00003 0.00003 0.00000 1301. H27( 4px) 0.00001 0.00000 0.00000 1302. H27( 2py) 0.00007 0.00007 0.00000 1303. H27( 3py) 0.00009 0.00010 0.00000 1304. H27( 4py) 0.00001 0.00000 0.00000 1305. H27( 2pz) 0.00016 0.00016 0.00000 1306. H27( 3pz) 0.00003 0.00003 0.00000 1307. H27( 4pz) 0.00001 0.00001 0.00000 1308. H27( 3d1) 0.00005 0.00004 0.00000 1309. H27( 4d1) 0.00000 0.00000 0.00000 1310. H27( 3d2) 0.00006 0.00006 0.00000 1311. H27( 4d2) 0.00000 0.00000 0.00000 1312. H27( 3d3) 0.00002 0.00002 0.00000 1313. H27( 4d3) 0.00000 0.00000 0.00000 1314. H27( 3d4) 0.00005 0.00005 0.00000 1315. H27( 4d4) 0.00000 0.00000 0.00000 1316. H27( 3d5) 0.00004 0.00004 0.00000 1317. H27( 4d5) 0.00000 0.00000 0.00000 1318. H27( 4f1) 0.00001 0.00001 0.00000 1319. H27( 4f2) 0.00001 0.00001 0.00000 1320. H27( 4f3) 0.00000 0.00000 0.00000 1321. H27( 4f4) 0.00002 0.00002 0.00000 1322. H27( 4f5) 0.00000 0.00000 0.00000 1323. H27( 4f6) 0.00001 0.00001 0.00000 1324. H27( 4f7) 0.00000 0.00000 0.00000 1325. H28( 1s ) 0.37318 0.37327 0.00010 1326. H28( 2s ) 0.00035 0.00022 -0.00013 1327. H28( 3s ) 0.00019 0.00014 -0.00006 1328. H28( 4s ) 0.00000 0.00000 0.00000 1329. H28( 2px) 0.00022 0.00018 -0.00003 1330. H28( 3px) 0.00003 0.00002 -0.00001 1331. H28( 4px) 0.00000 0.00000 0.00000 1332. H28( 2py) 0.00009 0.00007 -0.00002 1333. H28( 3py) 0.00005 0.00005 0.00000 1334. H28( 4py) 0.00000 0.00000 0.00000 1335. H28( 2pz) 0.00034 0.00033 -0.00001 1336. H28( 3pz) 0.00005 0.00004 0.00000 1337. H28( 4pz) 0.00000 0.00000 0.00000 1338. H28( 3d1) 0.00001 0.00001 0.00000 1339. H28( 4d1) 0.00000 0.00000 0.00000 1340. H28( 3d2) 0.00006 0.00006 0.00000 1341. H28( 4d2) 0.00000 0.00000 0.00000 1342. H28( 3d3) 0.00005 0.00004 0.00000 1343. H28( 4d3) 0.00000 0.00000 0.00000 1344. H28( 3d4) 0.00002 0.00002 0.00000 1345. H28( 4d4) 0.00000 0.00000 0.00000 1346. H28( 3d5) 0.00007 0.00007 0.00000 1347. H28( 4d5) 0.00000 0.00000 0.00000 1348. H28( 4f1) 0.00002 0.00002 0.00000 1349. H28( 4f2) 0.00002 0.00002 0.00000 1350. H28( 4f3) 0.00000 0.00000 0.00000 1351. H28( 4f4) 0.00000 0.00000 0.00000 1352. H28( 4f5) 0.00000 0.00000 0.00000 1353. H28( 4f6) 0.00000 0.00000 0.00000 1354. H28( 4f7) 0.00000 0.00000 0.00000 1355. H29( 1s ) 0.37638 0.37625 -0.00013 1356. H29( 2s ) 0.00030 0.00023 -0.00007 1357. H29( 3s ) 0.00015 0.00019 0.00004 1358. H29( 4s ) 0.00000 0.00000 0.00000 1359. H29( 2px) 0.00028 0.00028 0.00000 1360. H29( 3px) 0.00003 0.00003 0.00000 1361. H29( 4px) 0.00000 0.00000 0.00000 1362. H29( 2py) 0.00007 0.00007 0.00000 1363. H29( 3py) 0.00008 0.00008 0.00000 1364. H29( 4py) 0.00001 0.00000 0.00000 1365. H29( 2pz) 0.00020 0.00020 0.00000 1366. H29( 3pz) 0.00003 0.00003 0.00000 1367. H29( 4pz) 0.00000 0.00000 0.00000 1368. H29( 3d1) 0.00004 0.00004 0.00000 1369. H29( 4d1) 0.00000 0.00000 0.00000 1370. H29( 3d2) 0.00006 0.00006 0.00000 1371. H29( 4d2) 0.00000 0.00000 0.00000 1372. H29( 3d3) 0.00003 0.00003 -0.00001 1373. H29( 4d3) 0.00000 0.00000 0.00000 1374. H29( 3d4) 0.00004 0.00005 0.00000 1375. H29( 4d4) 0.00000 0.00000 0.00000 1376. H29( 3d5) 0.00005 0.00005 0.00000 1377. H29( 4d5) 0.00000 0.00000 0.00000 1378. H29( 4f1) 0.00001 0.00001 0.00000 1379. H29( 4f2) 0.00001 0.00001 0.00000 1380. H29( 4f3) 0.00000 0.00000 0.00000 1381. H29( 4f4) 0.00002 0.00002 0.00000 1382. H29( 4f5) 0.00000 0.00000 0.00000 1383. H29( 4f6) 0.00001 0.00001 0.00000 1384. H29( 4f7) 0.00000 0.00000 0.00000 NEXT STEP: Perform one SCF cycle to evaluate the energy of the new density matrix constructed from the deleted NAO Fock matrix. ------------------------------------------------------------------------------ Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CMPSCO NAtoms= 29 NBasis= 1384 NBsUse= 1384 ICharg= 0 Multip= 1 NE= 172 Len12L=8 Len4L=8 IOpCl= 1 ICGU=112 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 ALPHA DENSITY MATRIX NI= 0 NR= 1 NTot= 958420 LenBuf= 4000 NRI=1 N= -1384 1384 Store file 10528 Len= 958420. BETA DENSITY MATRIX NI= 0 NR= 1 NTot= 958420 LenBuf= 4000 NRI=1 N= -1384 1384 Store file 10530 Len= 958420. ALPHA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1384 LenBuf= 4000 NRI=1 N= 1384 BETA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1384 LenBuf= 4000 NRI=1 N= 1384 ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1915456 LenBuf= 4000 NRI=1 N= 1384 1384 Store file 10524 Len= 1915456. BETA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1915456 LenBuf= 4000 NRI=1 N= 1384 1384 Store file 10526 Len= 1915456. ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1915456 LenBuf= 4000 NRI=1 N= 1384 1384 Store file 10524 Len= 1915456. BETA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1915456 LenBuf= 4000 NRI=1 N= 1384 1384 Store file 10526 Len= 1915456. NPA CHARGES NI= 0 NR= 1 NTot= 29 LenBuf= 4000 NRI=1 N= 29 Recovered energy= -2726.25835215 dipole= 2.055771982241 0.637440943903 0.048239523358 Requested convergence on RMS density matrix=1.00D-08 within 1 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. >>>>>>>>>> Convergence criterion not met. SCF Done: E(UMN15L) = -2725.35208219 A.U. after 2 cycles NFock= 1 Conv=0.55D-02 -V/T= 2.0197 = 0.0000 = 0.0000 = 0.0000 = 0.0630 S= 0.0595 = 0.00000000000 Annihilation of the first spin contaminant: S**2 before annihilation 0.0630, after 0.0063 LocMO: Using population method Initial Trace= 0.86000000D+02 Initial TraceA= 0.50230600D+02 RMSG= 0.60787477D-08 OPopF ISpin= 1 1 2 1 0.583787D-05 0.999994D+00 2 0.839232D-05 0.999992D+00 3 0.630834D-05 0.999994D+00 4 0.387952D-04 0.999961D+00 5 -0.164239D-03 0.100016D+01 6 0.999488D+00 0.511972D-03 7 0.999971D+00 0.293035D-04 8 0.999980D+00 0.197977D-04 9 0.999990D+00 0.100007D-04 10 0.999969D+00 0.310246D-04 11 0.999922D+00 0.778679D-04 12 0.999938D+00 0.616065D-04 13 0.999955D+00 0.449838D-04 14 0.999952D+00 0.480760D-04 15 0.468958D-03 0.999531D+00 16 0.341013D-03 0.999659D+00 17 0.885683D-04 0.999911D+00 18 0.923071D-03 0.999077D+00 19 0.941325D-03 0.999059D+00 20 0.100012D+01 -0.115166D-03 21 0.634711D-04 0.999937D+00 22 0.438187D-04 0.999956D+00 23 -0.645215D-05 0.100001D+01 24 -0.142776D-04 0.100001D+01 25 0.117113D-03 0.999883D+00 26 0.131773D-03 0.999868D+00 27 0.111341D-04 0.999989D+00 28 0.190330D-04 0.999981D+00 29 0.367636D-04 0.999963D+00 30 0.452439D-03 0.999548D+00 31 0.614425D-04 0.999939D+00 32 -0.182246D-03 0.100018D+01 33 0.427342D-03 0.999573D+00 34 0.273293D-03 0.999727D+00 35 0.270079D-03 0.999730D+00 36 0.999997D+00 0.278084D-05 37 0.999991D+00 0.871043D-05 38 0.999970D+00 0.301678D-04 39 0.100175D+01 -0.174603D-02 40 0.100194D+01 -0.193574D-02 41 0.101887D+01 -0.188731D-01 42 0.101838D+01 -0.183750D-01 43 0.151372D-01 0.984863D+00 44 -0.665677D-02 0.100666D+01 45 0.100306D+01 -0.305579D-02 46 0.100006D+01 -0.553848D-04 47 -0.830838D-02 0.100831D+01 48 0.100151D+01 -0.150844D-02 49 0.100043D+01 -0.425693D-03 50 0.999696D+00 0.303752D-03 51 0.998905D+00 0.109501D-02 52 -0.926993D-01 0.109270D+01 53 -0.790210D-01 0.107902D+01 54 0.971895D+00 0.281053D-01 55 0.998913D+00 0.108744D-02 56 0.997385D+00 0.261526D-02 57 0.423189D-01 0.957681D+00 58 0.100247D+01 -0.247214D-02 59 0.343811D-01 0.965619D+00 60 0.100077D+01 -0.765148D-03 61 0.100048D+01 -0.479364D-03 62 0.267209D-01 0.973279D+00 63 0.100150D+01 -0.150083D-02 64 0.100068D+01 -0.683703D-03 65 0.999430D+00 0.570493D-03 66 0.263913D-01 0.973609D+00 67 0.100001D+01 -0.123110D-04 68 0.793891D-01 0.920611D+00 69 0.840217D-01 0.915978D+00 70 0.100013D+01 -0.129170D-03 71 0.998809D+00 0.119107D-02 72 0.100191D+01 -0.190635D-02 73 0.584650D-02 0.994153D+00 74 0.995741D+00 0.425945D-02 75 0.100024D+01 -0.235699D-03 76 0.997463D+00 0.253742D-02 77 0.102302D+01 -0.230231D-01 78 0.116211D+00 0.883789D+00 79 0.327065D+00 0.672935D+00 80 0.100076D+01 -0.757835D-03 81 0.117433D+00 0.882567D+00 82 0.320667D+00 0.679333D+00 83 0.100570D+01 -0.570432D-02 84 0.100710D+01 -0.709607D-02 85 0.536409D-01 0.946359D+00 86 0.130401D+00 0.869599D+00 MOUse ISpin= 1 1 1 2 2 2 3 2 4 2 5 2 6 1 7 1 8 1 9 1 10 1 11 1 12 1 13 1 14 1 15 2 16 2 17 2 18 2 19 2 20 1 21 2 22 2 23 2 24 2 25 2 26 2 27 2 28 2 29 2 30 2 31 2 32 2 33 2 34 2 35 2 36 1 37 1 38 1 39 1 40 1 41 1 42 1 43 2 44 2 45 1 46 1 47 2 48 1 49 1 50 1 51 1 52 2 53 2 54 1 55 1 56 1 57 2 58 1 59 2 60 1 61 1 62 2 63 1 64 1 65 1 66 2 67 1 68 2 69 2 70 1 71 1 72 1 73 2 74 1 75 1 76 1 77 1 78 2 79 1 80 1 81 1 82 1 83 1 84 1 85 2 86 1 IndI ISpin= 1 1 1 6 2 7 3 8 4 9 5 10 6 11 7 12 8 13 9 14 10 20 11 36 12 37 13 38 14 39 15 40 16 41 17 42 18 45 19 46 20 48 21 49 22 50 23 51 24 54 25 55 26 56 27 58 28 60 29 61 30 63 31 64 32 65 33 67 34 70 35 71 36 72 37 74 38 75 39 76 40 77 41 79 42 80 43 81 44 82 45 83 46 84 47 86 48 1 49 2 50 3 51 4 52 5 53 15 54 16 55 17 56 18 57 19 58 21 59 22 60 23 61 24 62 25 63 26 64 27 65 28 66 29 67 30 68 31 69 32 70 33 71 34 72 35 73 43 74 44 75 47 76 52 77 53 78 57 79 59 80 62 81 66 82 68 83 69 84 73 85 78 86 85 LocMO: Using population method Initial Trace= 0.86000000D+02 Initial TraceA= 0.50302565D+02 RMSG= 0.55816312D-08 OPopF ISpin= 2 1 2 1 0.673561D-05 0.999993D+00 2 0.845505D-05 0.999992D+00 3 0.545912D-05 0.999995D+00 4 0.243107D-04 0.999976D+00 5 0.294086D-04 0.999971D+00 6 0.999792D+00 0.208402D-03 7 0.999985D+00 0.147311D-04 8 0.999977D+00 0.231678D-04 9 0.999989D+00 0.113337D-04 10 0.999974D+00 0.260711D-04 11 0.999908D+00 0.917083D-04 12 0.999928D+00 0.717544D-04 13 0.999972D+00 0.279762D-04 14 0.999964D+00 0.362345D-04 15 0.579335D-03 0.999421D+00 16 0.405364D-03 0.999595D+00 17 0.864047D-04 0.999914D+00 18 0.106407D-02 0.998936D+00 19 0.101393D-02 0.998986D+00 20 0.999847D+00 0.152974D-03 21 0.839511D-04 0.999916D+00 22 0.475686D-04 0.999952D+00 23 -0.294074D-04 0.100003D+01 24 -0.342251D-04 0.100003D+01 25 0.851862D-04 0.999915D+00 26 0.128193D-03 0.999872D+00 27 0.325258D-04 0.999967D+00 28 0.176904D-05 0.999998D+00 29 0.362753D-04 0.999964D+00 30 0.835586D-03 0.999164D+00 31 0.881784D-03 0.999118D+00 32 -0.729033D-04 0.100007D+01 33 -0.632448D-04 0.100006D+01 34 0.301847D-03 0.999698D+00 35 0.296606D-03 0.999703D+00 36 0.100000D+01 -0.169413D-05 37 0.999994D+00 0.556039D-05 38 0.999967D+00 0.328981D-04 39 0.100328D+01 -0.328208D-02 40 0.997217D+00 0.278334D-02 41 0.101335D+01 -0.133471D-01 42 0.101393D+01 -0.139260D-01 43 0.232648D-01 0.976735D+00 44 -0.142898D-01 0.101429D+01 45 0.998935D+00 0.106500D-02 46 0.100177D+01 -0.177386D-02 47 -0.883414D-01 0.108834D+01 48 0.100121D+01 -0.121296D-02 49 0.100042D+01 -0.418313D-03 50 -0.775007D-01 0.107750D+01 51 0.997792D+00 0.220768D-02 52 0.997734D+00 0.226608D-02 53 -0.164049D-01 0.101640D+01 54 0.966844D+00 0.331560D-01 55 0.100212D+01 -0.212063D-02 56 0.180955D-01 0.981904D+00 57 0.100039D+01 -0.385540D-03 58 0.221973D-02 0.997780D+00 59 0.100162D+01 -0.162353D-02 60 0.391261D-01 0.960874D+00 61 0.100074D+01 -0.738385D-03 62 0.100102D+01 -0.102498D-02 63 0.100005D+01 -0.476632D-04 64 0.312778D-01 0.968722D+00 65 0.999346D+00 0.654035D-03 66 0.483409D-01 0.951659D+00 67 0.166230D-01 0.983377D+00 68 0.100062D+01 -0.624551D-03 69 0.999987D+00 0.132423D-04 70 0.100015D+01 -0.145282D-03 71 0.997904D+00 0.209629D-02 72 0.403241D-01 0.959676D+00 73 0.100080D+01 -0.802459D-03 74 0.994632D+00 0.536847D-02 75 0.998820D+00 0.118028D-02 76 0.999547D+00 0.452929D-03 77 0.101619D+01 -0.161905D-01 78 0.191952D+00 0.808048D+00 79 0.187585D+00 0.812415D+00 80 0.763320D-01 0.923668D+00 81 0.774046D-01 0.922595D+00 82 0.998956D+00 0.104386D-02 83 0.100327D+01 -0.327002D-02 84 0.100516D+01 -0.516284D-02 85 0.523927D-01 0.947607D+00 86 0.714109D-01 0.928589D+00 MOUse ISpin= 2 1 1 2 2 2 3 2 4 2 5 2 6 1 7 1 8 1 9 1 10 1 11 1 12 1 13 1 14 1 15 2 16 2 17 2 18 2 19 2 20 1 21 2 22 2 23 2 24 2 25 2 26 2 27 2 28 2 29 2 30 2 31 2 32 2 33 2 34 2 35 2 36 1 37 1 38 1 39 1 40 1 41 1 42 1 43 2 44 2 45 1 46 1 47 2 48 1 49 1 50 2 51 1 52 1 53 2 54 1 55 1 56 2 57 1 58 2 59 1 60 2 61 1 62 1 63 1 64 2 65 1 66 2 67 2 68 1 69 1 70 1 71 1 72 2 73 1 74 1 75 1 76 1 77 1 78 1 79 1 80 2 81 2 82 1 83 1 84 1 85 2 86 2 IndI ISpin= 2 1 1 6 2 7 3 8 4 9 5 10 6 11 7 12 8 13 9 14 10 20 11 36 12 37 13 38 14 39 15 40 16 41 17 42 18 45 19 46 20 48 21 49 22 51 23 52 24 54 25 55 26 57 27 59 28 61 29 62 30 63 31 65 32 68 33 69 34 70 35 71 36 73 37 74 38 75 39 76 40 77 41 78 42 79 43 82 44 83 45 84 46 1 47 2 48 3 49 4 50 5 51 15 52 16 53 17 54 18 55 19 56 21 57 22 58 23 59 24 60 25 61 26 62 27 63 28 64 29 65 30 66 31 67 32 68 33 69 34 70 35 71 43 72 44 73 47 74 50 75 53 76 56 77 58 78 60 79 64 80 66 81 67 82 72 83 80 84 81 85 85 86 86 Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EIn" output file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EOu" message file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 430 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 430 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 430 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 690 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1290 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 29 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 68 to matrix element file. Write BOND TYPES from file 0 offset 0 length 68 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 116 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 29 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 29 to matrix element file. Write INTEGER FRAGMENT from file 0 offset 0 length 29 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 29 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 29 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 29 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 29 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 29 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 87 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 87 to matrix element file. Write ELECTRONS PER FRAGMENT from file 0 offset 0 length 8 to matrix element file. Write BASIS FUNCTIONS PER FRAGMENT from file 0 offset 0 length 96 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 958420 length 958420 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 958420 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1915456 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2875260 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1915456 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1915456 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 958420 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 958420 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 958420 to matrix element file. Write FRAGMENT DENSITY MATRICES from file 10774 offset 0 length 3833680 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write INTEGER PARAMETERS from file 0 offset 0 length 4 to matrix element file. No 2e integrals to process. Perform NBO analysis...executing G16NBO... ------------------------------------------------------------------------------ Energy of deletion : -2725.352082188 Total SCF energy : -2726.258352154 ------------------- Energy change : 0.906270 a.u., 568.693 kcal/mol ------------------------------------------------------------------------------ Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CMPSCO NAtoms= 29 NBasis= 1384 NBsUse= 1384 ICharg= 0 Multip= 1 NE= 172 Len12L=8 Len4L=8 IOpCl= 1 ICGU=112 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 FRAGMENT DENSITY MATRICES NI= 0 NR= 1 NTot= 3833680 LenBuf= 4000 NRI=1 N= -1384 1384 2 2 Store file 10774 Len= 3833680. Recovered energy= -2725.35208219 dipole= 2.055771982241 0.637440943903 0.048239523358 CPIOFr: IOpCl= 1 IRwI=-1 IRwCP= 731 ICalc= -1 LCPTot= 2882958 Len1MO= 9601800 IndFrg= 2882958 CPIOFr: IOpCl= 1 IRwI=-1 IRwCP= 731 ICalc= 0 LCPTot= 2882958 Len1MO= 9601800 IndFrg= 12484758 NEDA: doing calculation for fragment 1 using the basis set of the full-system, NewBq=T Basis read from rwf: (5D, 7F) Pseudo-potential data read from rwf file. There are 1698 symmetry adapted cartesian basis functions of A symmetry. There are 1384 symmetry adapted basis functions of A symmetry. 1384 basis functions, 2139 primitive gaussians, 1698 cartesian basis functions 47 alpha electrons 45 beta electrons nuclear repulsion energy 727.6017098120 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 92665 NPrTT= 239268 LenC2= 79775 LenP2D= 150561. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1384 RedAO= T EigKep= 6.60D-06 NBF= 1384 NBsUse= 1384 1.00D-06 EigRej= -1.00D+00 NBFU= 1384 Defaulting to unpruned grid for atomic number 43. Initial guess from the read-write file. Symmetry OAOs for initial guess. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. NEDASv: IAct=1 IFrag= 1 NFrag= 2 L1Frag= 13417896 IndFrg= 0. EJ= 1100.47931096696 Rare condition: small coef for last iteration: 0.000D+00 EnCoef did 4 forward-backward iterations EnCoef did 9 forward-backward iterations EnCoef did 100 forward-backward iterations EnCoef did 4 forward-backward iterations EnCoef did 7 forward-backward iterations Restarting incremental Fock formation. NEDASv: IAct=2 IFrag= 1 NFrag= 2 L1Frag= 13417896 IndFrg= 0. EJ= 1094.76272003455 SCF Done: E(UMN15L) = -735.100721720 A.U. after 35 cycles NFock= 35 Conv=0.24D-08 -V/T= 2.0782 = 0.0000 = 0.0000 = 1.0000 = 2.1013 S= 1.0334 = 0.00000000000 Annihilation of the first spin contaminant: S**2 before annihilation 2.1013, after 2.0027 CPIOFr: IOpCl= 1 IRwI=-1 IRwCP= 731 ICalc= 1 LCPTot= 2882958 Len1MO= 9601800 IndFrg= 22086558 NEDA: doing calculation for fragment 2 using the basis set of the full-system, NewBq=T Basis read from rwf: (5D, 7F) Pseudo-potential data read from rwf file. There are 1698 symmetry adapted cartesian basis functions of A symmetry. There are 1384 symmetry adapted basis functions of A symmetry. 1384 basis functions, 2139 primitive gaussians, 1698 cartesian basis functions 39 alpha electrons 41 beta electrons nuclear repulsion energy 489.0070873566 Hartrees. NAtoms= 29 NActive= 29 NUniq= 29 SFac= 1.00D+00 NAtFMM= 60 NAOKFM=F Big=F Integral buffers will be 131072 words long. Raffenetti 2 integral format. Two-electron integral symmetry is turned on. One-electron integrals computed using PRISM. 1 Symmetry operations used in ECPInt. ECPInt: NShTT= 92665 NPrTT= 239268 LenC2= 79775 LenP2D= 150561. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1384 RedAO= T EigKep= 6.60D-06 NBF= 1384 NBsUse= 1384 1.00D-06 EigRej= -1.00D+00 NBFU= 1384 Defaulting to unpruned grid for atomic number 43. Initial guess from the read-write file. Symmetry OAOs for initial guess. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. Defaulting to unpruned grid for atomic number 43. NEDASv: IAct=1 IFrag= 2 NFrag= 2 L1Frag= 13417896 IndFrg= 13417896. EJ= 1367.54821266174 NEDASv: IAct=2 IFrag= 2 NFrag= 2 L1Frag= 13417896 IndFrg= 13417896. EJ= 1370.10565901459 SCF Done: E(UMN15L) = -1990.91786902 A.U. after 19 cycles NFock= 19 Conv=0.17D-08 -V/T= 2.0005 = 0.0000 = 0.0000 =-1.0000 = 2.0144 S= 1.0048 = 0.00000000000 Annihilation of the first spin contaminant: S**2 before annihilation 2.0144, after 2.1272 CPIOFr: IOpCl= 1 IRwI=-1 IRwCP= 731 ICalc= 2 LCPTot= 2882958 Len1MO= 9601800 IndFrg= 31688358 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 43 0 0.315991 0.424239 0.010944 2 16 0 -0.410636 -0.559179 -1.910285 3 16 0 -2.419798 -0.114408 -1.666156 4 16 0 -3.006314 -1.261805 -0.065780 5 16 0 -2.365338 -0.407897 1.691683 6 16 0 -0.350641 -0.869790 1.768117 7 6 0 2.970300 -1.269740 1.547265 8 6 0 2.139041 -2.527511 -0.848538 9 6 0 3.618668 -0.092653 -0.938517 10 15 0 2.214966 -0.877350 -0.071492 11 6 0 -0.924411 2.436303 0.255264 12 6 0 -0.001121 2.272121 1.330722 13 6 0 1.330556 2.224134 0.804336 14 6 0 1.226443 2.344542 -0.629564 15 6 0 -0.164598 2.457391 -0.949321 16 1 0 3.938412 -1.780594 1.415223 17 1 0 3.121974 -0.338311 2.116002 18 1 0 2.298302 -1.922556 2.126217 19 1 0 3.091713 -3.066806 -0.720198 20 1 0 1.322877 -3.103819 -0.382532 21 1 0 1.919258 -2.428971 -1.922635 22 1 0 4.501162 -0.753497 -0.933069 23 1 0 3.336139 0.134136 -1.978369 24 1 0 3.876923 0.852778 -0.433806 25 1 0 -2.007250 2.492947 0.336746 26 1 0 -0.270677 2.154541 2.379753 27 1 0 2.255834 2.149577 1.375176 28 1 0 -0.579510 2.506667 -1.955526 29 1 0 2.057114 2.363636 -1.332355 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 Tc 0.000000 2 S 2.277327 0.000000 3 S 3.253820 2.072234 0.000000 4 S 3.726438 3.260893 2.054683 0.000000 5 S 3.272134 4.100966 3.371081 2.056377 0.000000 6 S 2.281790 3.691980 4.079981 3.251070 2.068379 7 C 3.503599 4.887768 6.380754 6.190468 5.406724 8 C 3.574220 3.391532 5.222507 5.356249 5.588821 9 C 3.475101 4.171004 6.082187 6.783729 6.544132 10 P 2.303700 3.221208 4.960451 5.235418 4.930351 11 C 2.376277 3.731820 3.526211 4.255983 3.497005 12 C 2.292824 4.322972 4.530651 4.844588 3.591979 13 C 2.213241 4.260017 5.063325 5.631813 4.623268 14 C 2.219625 3.570976 4.518410 5.589260 5.085764 15 C 2.299300 3.175481 3.494843 4.763236 4.475269 16 H 4.467127 5.609374 7.259332 7.119813 6.457398 17 H 3.589748 5.360886 6.713128 6.570307 5.504133 18 H 3.729797 5.048811 6.317591 5.777577 4.922657 19 H 4.519579 4.468887 6.323626 6.393139 6.531950 20 H 3.689964 3.437192 4.959021 4.715426 5.017299 21 H 3.801316 2.987420 4.924469 5.391794 5.958674 22 H 4.449031 5.011833 6.988958 7.574481 7.359184 23 H 3.628060 3.810990 5.769754 6.770034 6.802200 24 H 3.614095 4.749397 6.488669 7.210122 6.713630 25 H 3.127802 4.112639 3.313625 3.906190 3.221642 26 H 2.991552 5.078217 5.112361 5.013558 3.380404 27 H 2.932731 5.024109 6.019706 6.434600 5.291132 28 H 3.000905 3.070827 3.215654 4.864350 4.998600 29 H 2.932102 3.868674 5.127852 6.355025 6.031939 6 7 8 9 10 6 S 0.000000 7 C 3.352221 0.000000 8 C 3.974096 2.830698 0.000000 9 C 4.866747 2.825779 2.850601 0.000000 10 P 3.156986 1.828900 1.825540 1.826981 0.000000 11 C 3.680786 5.529267 5.936545 5.334819 4.576325 12 C 3.191408 4.628284 5.689107 4.883080 4.098343 13 C 3.650707 3.930376 5.095466 3.693304 3.341924 14 C 4.309060 4.565376 4.961621 3.429010 3.416023 15 C 4.299909 5.472845 5.492373 4.562449 4.189679 16 H 4.398872 1.102564 2.986676 2.914013 2.448762 17 H 3.530234 1.101829 3.814086 3.104374 2.428653 18 H 2.872882 1.101333 3.039819 3.805852 2.435021 19 H 4.782091 2.895786 1.102222 3.028354 2.446063 20 H 3.523754 3.130809 1.102459 3.827126 2.418622 21 H 4.604904 3.806404 1.100772 3.052026 2.433455 22 H 5.554271 2.960085 2.955315 1.102515 2.446292 23 H 5.351296 3.812453 3.129525 1.101158 2.432347 24 H 5.068333 3.041659 3.823427 1.102392 2.426255 25 H 4.012627 6.356034 6.618280 6.321596 5.417810 26 H 3.086595 4.787762 6.176586 5.584604 4.623785 27 H 4.008078 3.497400 5.180125 3.498298 3.355116 28 H 5.031735 6.255553 5.827426 5.041376 4.776008 29 H 5.085789 4.725203 4.915700 2.937161 3.481190 11 12 13 14 15 11 C 0.000000 12 C 1.426895 0.000000 13 C 2.330530 1.432742 0.000000 14 C 2.327555 2.314061 1.442708 0.000000 15 C 1.424354 2.293392 2.316292 1.431773 0.000000 16 H 6.540243 5.652571 4.817877 5.343470 6.355020 17 H 5.247291 4.145448 3.390541 4.281223 5.292798 18 H 5.734631 4.849276 4.458580 5.191468 5.891413 19 H 6.882223 6.502002 5.780997 5.724520 6.416604 20 H 6.012490 5.795597 5.458553 5.454811 5.784539 21 H 6.041572 6.030958 5.425341 4.993841 5.400586 22 H 6.404983 5.877896 4.683760 4.518157 5.663866 23 H 5.333046 5.163174 4.016703 3.340058 4.325692 24 H 5.102468 4.490804 3.146045 3.047741 4.378862 25 H 1.087377 2.249735 3.381102 3.378247 2.247354 26 H 2.240583 1.089473 2.247383 3.366520 3.344504 27 H 3.383840 2.260716 1.089751 2.261999 3.369945 28 H 2.238638 3.344992 3.368236 2.246314 1.089508 29 H 3.378654 3.366999 2.261149 1.088253 2.256437 16 17 18 19 20 16 H 0.000000 17 H 1.799401 0.000000 18 H 1.793217 1.785601 0.000000 19 H 2.632729 3.935687 3.168736 0.000000 20 H 3.438586 4.138533 2.939500 1.801158 0.000000 21 H 3.954576 4.704038 4.097967 1.796480 1.784098 22 H 2.624136 3.372147 3.946964 2.717215 3.991065 23 H 3.942764 4.127099 4.706879 3.448009 4.133312 24 H 3.218282 2.913788 4.092461 4.007707 4.709611 25 H 7.401159 6.122966 6.421577 7.617572 6.552167 26 H 5.842263 4.218288 4.825625 6.941025 6.149795 27 H 4.275385 2.736532 4.141030 5.683303 5.617661 28 H 7.081961 6.194532 6.675361 6.787305 6.129514 29 H 5.316306 4.508393 5.512834 5.561909 5.597708 21 22 23 24 25 21 H 0.000000 22 H 3.233061 0.000000 23 H 2.929194 1.799395 0.000000 24 H 4.101090 1.794173 1.787336 0.000000 25 H 6.689361 7.383174 6.282957 6.156898 0.000000 26 H 6.656947 6.496301 6.007028 5.178155 2.702607 27 H 5.652605 4.335589 4.058981 2.753549 4.401150 28 H 5.532219 6.122689 4.578398 4.991070 2.700582 29 H 4.830788 3.981120 2.650266 2.530175 4.395643 26 27 28 29 26 H 0.000000 27 H 2.718907 0.000000 28 H 4.360506 4.388652 0.000000 29 H 4.386579 2.723240 2.713040 0.000000 Stoichiometry C8H14PS5Tc Framework group C1[X(C8H14PS5Tc)] Deg. of freedom 81 Full point group C1 NOp 1 Largest Abelian subgroup C1 NOp 1 Largest concise Abelian subgroup C1 NOp 1 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 43 0 0.315991 0.424239 0.010944 2 16 0 -0.410636 -0.559179 -1.910285 3 16 0 -2.419798 -0.114408 -1.666156 4 16 0 -3.006314 -1.261805 -0.065780 5 16 0 -2.365338 -0.407897 1.691683 6 16 0 -0.350641 -0.869790 1.768117 7 6 0 2.970300 -1.269740 1.547265 8 6 0 2.139041 -2.527511 -0.848538 9 6 0 3.618668 -0.092653 -0.938517 10 15 0 2.214966 -0.877350 -0.071492 11 6 0 -0.924411 2.436303 0.255264 12 6 0 -0.001121 2.272121 1.330722 13 6 0 1.330556 2.224134 0.804336 14 6 0 1.226443 2.344542 -0.629564 15 6 0 -0.164598 2.457391 -0.949321 16 1 0 3.938412 -1.780594 1.415223 17 1 0 3.121974 -0.338311 2.116002 18 1 0 2.298302 -1.922556 2.126217 19 1 0 3.091713 -3.066806 -0.720198 20 1 0 1.322877 -3.103819 -0.382532 21 1 0 1.919258 -2.428971 -1.922635 22 1 0 4.501162 -0.753497 -0.933069 23 1 0 3.336139 0.134136 -1.978369 24 1 0 3.876923 0.852778 -0.433806 25 1 0 -2.007250 2.492947 0.336746 26 1 0 -0.270677 2.154541 2.379753 27 1 0 2.255834 2.149577 1.375176 28 1 0 -0.579510 2.506667 -1.955526 29 1 0 2.057114 2.363636 -1.332355 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4418533 0.2769584 0.2632371 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Alpha Orbitals: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Beta Orbitals: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -88.72317 -88.72291 -88.69735 -88.66685 -88.66676 Alpha occ. eigenvalues -- -8.02214 -8.02184 -7.99910 -7.97020 -7.97006 Alpha occ. eigenvalues -- -5.96159 -5.96130 -5.95685 -5.95656 -5.95123 Alpha occ. eigenvalues -- -5.95093 -5.93973 -5.93520 -5.92685 -5.90945 Alpha occ. eigenvalues -- -5.90933 -5.90384 -5.90372 -5.89721 -5.89705 Alpha occ. eigenvalues -- -0.84991 -0.78653 -0.70294 -0.61868 -0.55755 Alpha occ. eigenvalues -- -0.43657 -0.39737 -0.39447 -0.36165 -0.32282 Alpha occ. eigenvalues -- -0.30960 -0.27290 -0.24966 -0.23675 -0.19839 Alpha occ. eigenvalues -- -0.18063 -0.08637 -0.07066 -0.05512 -0.04594 Alpha occ. eigenvalues -- -0.00505 0.01125 0.01145 0.01527 0.04705 Alpha occ. eigenvalues -- 0.05372 0.06136 0.06407 0.07288 0.07731 Alpha occ. eigenvalues -- 0.08839 0.09157 0.09579 0.10274 0.10597 Alpha occ. eigenvalues -- 0.10815 0.11590 0.11783 0.12238 0.12355 Alpha occ. eigenvalues -- 0.13077 0.14047 0.14274 0.14780 0.15293 Alpha occ. eigenvalues -- 0.15734 0.15854 0.16993 0.17323 0.17568 Alpha occ. eigenvalues -- 0.18198 0.18375 0.18755 0.19033 0.19179 Alpha occ. eigenvalues -- 0.20218 0.20634 0.21206 0.21822 0.22180 Alpha occ. eigenvalues -- 0.22467 Alpha virt. eigenvalues -- 0.22893 0.23444 0.24104 0.24720 0.24881 Alpha virt. eigenvalues -- 0.25340 0.25576 0.25726 0.26152 0.27379 Alpha virt. eigenvalues -- 0.27670 0.27933 0.28091 0.28981 0.29852 Alpha virt. eigenvalues -- 0.30322 0.31145 0.31428 0.31795 0.32212 Alpha virt. eigenvalues -- 0.32356 0.33120 0.33606 0.33853 0.34274 Alpha virt. eigenvalues -- 0.34682 0.35131 0.35921 0.36285 0.36485 Alpha virt. eigenvalues -- 0.36909 0.37654 0.38232 0.38678 0.39515 Alpha virt. eigenvalues -- 0.40206 0.40326 0.40657 0.41050 0.42256 Alpha virt. eigenvalues -- 0.42394 0.43249 0.43565 0.44363 0.44727 Alpha virt. eigenvalues -- 0.45163 0.45871 0.46058 0.46834 0.46915 Alpha virt. eigenvalues -- 0.47422 0.48635 0.48914 0.49854 0.50489 Alpha virt. eigenvalues -- 0.50801 0.51479 0.51625 0.52039 0.52522 Alpha virt. eigenvalues -- 0.53488 0.53746 0.54152 0.54507 0.55531 Alpha virt. eigenvalues -- 0.56010 0.56520 0.56650 0.56988 0.57773 Alpha virt. eigenvalues -- 0.58385 0.59330 0.59735 0.60190 0.61011 Alpha virt. eigenvalues -- 0.61475 0.61730 0.62979 0.63599 0.63867 Alpha virt. eigenvalues -- 0.64760 0.65293 0.65671 0.65771 0.66923 Alpha virt. eigenvalues -- 0.67231 0.67332 0.68939 0.69406 0.70209 Alpha virt. eigenvalues -- 0.70916 0.71316 0.71613 0.72376 0.72684 Alpha virt. eigenvalues -- 0.73579 0.74886 0.75142 0.75533 0.76099 Alpha virt. eigenvalues -- 0.76324 0.77838 0.78069 0.79152 0.79761 Alpha virt. eigenvalues -- 0.80147 0.80388 0.80857 0.81467 0.82093 Alpha virt. eigenvalues -- 0.82558 0.82988 0.84265 0.84813 0.85087 Alpha virt. eigenvalues -- 0.85763 0.86086 0.86544 0.87134 0.87208 Alpha virt. eigenvalues -- 0.87698 0.88532 0.88668 0.90169 0.90681 Alpha virt. eigenvalues -- 0.91520 0.91999 0.92558 0.93060 0.93754 Alpha virt. eigenvalues -- 0.94494 0.95221 0.95938 0.95973 0.96531 Alpha virt. eigenvalues -- 0.96918 0.97423 0.98080 0.98903 0.99569 Alpha virt. eigenvalues -- 1.00297 1.01127 1.01296 1.01482 1.02070 Alpha virt. eigenvalues -- 1.02928 1.03133 1.03499 1.03830 1.04285 Alpha virt. eigenvalues -- 1.04532 1.05205 1.05795 1.05937 1.06404 Alpha virt. eigenvalues -- 1.06676 1.06892 1.07847 1.08137 1.08519 Alpha virt. eigenvalues -- 1.09151 1.09290 1.09617 1.09851 1.10916 Alpha virt. eigenvalues -- 1.11070 1.11541 1.12393 1.12914 1.13228 Alpha virt. eigenvalues -- 1.13820 1.14230 1.14829 1.14974 1.15402 Alpha virt. eigenvalues -- 1.15749 1.15962 1.16193 1.16514 1.17278 Alpha virt. eigenvalues -- 1.17722 1.17908 1.18715 1.19027 1.19971 Alpha virt. eigenvalues -- 1.20694 1.21174 1.21535 1.22313 1.22589 Alpha virt. eigenvalues -- 1.23190 1.23486 1.24464 1.25329 1.25697 Alpha virt. eigenvalues -- 1.26095 1.26234 1.26888 1.27208 1.27715 Alpha virt. eigenvalues -- 1.27961 1.28868 1.29540 1.29775 1.30502 Alpha virt. eigenvalues -- 1.30949 1.31800 1.32490 1.32819 1.33650 Alpha virt. eigenvalues -- 1.34218 1.34591 1.35102 1.35884 1.36350 Alpha virt. eigenvalues -- 1.36909 1.37325 1.37869 1.38824 1.39152 Alpha virt. eigenvalues -- 1.39249 1.39350 1.39699 1.40967 1.41764 Alpha virt. eigenvalues -- 1.41818 1.42563 1.43124 1.43159 1.44957 Alpha virt. eigenvalues -- 1.45243 1.45593 1.47078 1.47382 1.47744 Alpha virt. eigenvalues -- 1.48947 1.50053 1.50497 1.51036 1.52194 Alpha virt. eigenvalues -- 1.52847 1.52975 1.53472 1.54070 1.54590 Alpha virt. eigenvalues -- 1.54888 1.55286 1.55960 1.56146 1.57053 Alpha virt. eigenvalues -- 1.57482 1.57936 1.58603 1.59005 1.59378 Alpha virt. eigenvalues -- 1.59888 1.60546 1.60912 1.61908 1.62107 Alpha virt. eigenvalues -- 1.62941 1.63755 1.64925 1.65713 1.66500 Alpha virt. eigenvalues -- 1.67334 1.67562 1.68122 1.69297 1.69630 Alpha virt. eigenvalues -- 1.70302 1.70688 1.71347 1.71968 1.73118 Alpha virt. eigenvalues -- 1.73614 1.74783 1.75569 1.76041 1.77722 Alpha virt. eigenvalues -- 1.77999 1.78605 1.79375 1.79683 1.80342 Alpha virt. eigenvalues -- 1.82436 1.82576 1.83901 1.84501 1.85386 Alpha virt. eigenvalues -- 1.86637 1.87015 1.87417 1.87933 1.88990 Alpha virt. eigenvalues -- 1.89246 1.89992 1.90297 1.91963 1.92515 Alpha virt. eigenvalues -- 1.92795 1.93630 1.93761 1.94365 1.95659 Alpha virt. eigenvalues -- 1.96015 1.96336 1.97566 1.98263 1.98834 Alpha virt. eigenvalues -- 1.99657 1.99938 2.00115 2.00244 2.01662 Alpha virt. eigenvalues -- 2.02441 2.03607 2.04173 2.04460 2.05574 Alpha virt. eigenvalues -- 2.06343 2.06864 2.07573 2.08727 2.09447 Alpha virt. eigenvalues -- 2.10152 2.10721 2.11870 2.12060 2.12645 Alpha virt. eigenvalues -- 2.14356 2.14607 2.15937 2.17464 2.18177 Alpha virt. eigenvalues -- 2.20272 2.21867 2.21968 2.23446 2.24374 Alpha virt. eigenvalues -- 2.25137 2.25635 2.26070 2.27532 2.27628 Alpha virt. eigenvalues -- 2.28602 2.29065 2.30485 2.32017 2.33532 Alpha virt. eigenvalues -- 2.33732 2.35606 2.36226 2.36685 2.38364 Alpha virt. eigenvalues -- 2.39605 2.40497 2.40907 2.42094 2.43225 Alpha virt. eigenvalues -- 2.43591 2.43900 2.44995 2.46099 2.46498 Alpha virt. eigenvalues -- 2.47636 2.47729 2.48664 2.49280 2.50969 Alpha virt. eigenvalues -- 2.51707 2.52433 2.52952 2.53907 2.54511 Alpha virt. eigenvalues -- 2.55204 2.56158 2.56408 2.57167 2.57882 Alpha virt. eigenvalues -- 2.58040 2.59439 2.59687 2.60212 2.60717 Alpha virt. eigenvalues -- 2.61910 2.62465 2.63201 2.63224 2.63665 Alpha virt. eigenvalues -- 2.64136 2.64642 2.65621 2.66665 2.67178 Alpha virt. eigenvalues -- 2.67628 2.67777 2.68832 2.70081 2.70402 Alpha virt. eigenvalues -- 2.71169 2.71470 2.71933 2.72190 2.73088 Alpha virt. eigenvalues -- 2.73687 2.73769 2.74722 2.75712 2.75934 Alpha virt. eigenvalues -- 2.76460 2.76661 2.77115 2.77764 2.78273 Alpha virt. eigenvalues -- 2.78735 2.79534 2.80035 2.80605 2.80938 Alpha virt. eigenvalues -- 2.81579 2.81986 2.82123 2.83053 2.84061 Alpha virt. eigenvalues -- 2.84456 2.85241 2.85902 2.86207 2.86700 Alpha virt. eigenvalues -- 2.86842 2.87419 2.87891 2.88410 2.89124 Alpha virt. eigenvalues -- 2.89915 2.89950 2.90571 2.90882 2.91394 Alpha virt. eigenvalues -- 2.92136 2.92319 2.93136 2.93950 2.94019 Alpha virt. eigenvalues -- 2.94356 2.94928 2.95617 2.96201 2.96568 Alpha virt. eigenvalues -- 2.97027 2.97144 2.98004 2.98474 2.98927 Alpha virt. eigenvalues -- 2.99146 2.99219 3.00057 3.00522 3.01113 Alpha virt. eigenvalues -- 3.01543 3.01991 3.02371 3.03013 3.03699 Alpha virt. eigenvalues -- 3.03813 3.03971 3.04699 3.04974 3.05796 Alpha virt. eigenvalues -- 3.05912 3.06285 3.06641 3.07107 3.07436 Alpha virt. eigenvalues -- 3.08186 3.08574 3.10102 3.10385 3.10805 Alpha virt. eigenvalues -- 3.11327 3.11885 3.12392 3.12649 3.12792 Alpha virt. eigenvalues -- 3.13149 3.13558 3.13836 3.14095 3.14526 Alpha virt. eigenvalues -- 3.15230 3.16222 3.16925 3.17312 3.17479 Alpha virt. eigenvalues -- 3.19027 3.19427 3.20092 3.20969 3.21209 Alpha virt. eigenvalues -- 3.21388 3.21939 3.22427 3.23556 3.23599 Alpha virt. eigenvalues -- 3.24675 3.24790 3.25232 3.26300 3.26645 Alpha virt. eigenvalues -- 3.26826 3.27885 3.28441 3.28737 3.28887 Alpha virt. eigenvalues -- 3.29656 3.30106 3.30684 3.30837 3.31772 Alpha virt. eigenvalues -- 3.32084 3.33282 3.33770 3.33974 3.34412 Alpha virt. eigenvalues -- 3.35068 3.35097 3.36106 3.36383 3.36713 Alpha virt. eigenvalues -- 3.37704 3.38053 3.38311 3.38971 3.40009 Alpha virt. eigenvalues -- 3.40538 3.41359 3.41506 3.41921 3.43195 Alpha virt. eigenvalues -- 3.43480 3.43784 3.44443 3.44631 3.44995 Alpha virt. eigenvalues -- 3.45770 3.46364 3.47456 3.48470 3.48934 Alpha virt. eigenvalues -- 3.49212 3.49578 3.50300 3.50399 3.51593 Alpha virt. eigenvalues -- 3.52320 3.53207 3.53739 3.54038 3.54511 Alpha virt. eigenvalues -- 3.55441 3.55482 3.56101 3.56576 3.57978 Alpha virt. eigenvalues -- 3.58877 3.58936 3.59415 3.60361 3.60774 Alpha virt. eigenvalues -- 3.61514 3.62008 3.62887 3.63374 3.64258 Alpha virt. eigenvalues -- 3.64619 3.65470 3.66194 3.67133 3.67428 Alpha virt. eigenvalues -- 3.67904 3.68516 3.69703 3.70533 3.71142 Alpha virt. eigenvalues -- 3.71962 3.72818 3.73630 3.74336 3.74856 Alpha virt. eigenvalues -- 3.76105 3.76682 3.77335 3.77670 3.77929 Alpha virt. eigenvalues -- 3.78814 3.79590 3.80277 3.81072 3.81543 Alpha virt. eigenvalues -- 3.82200 3.82653 3.83572 3.84215 3.84667 Alpha virt. eigenvalues -- 3.84829 3.85509 3.86108 3.86952 3.88260 Alpha virt. eigenvalues -- 3.88465 3.89621 3.90402 3.90618 3.90990 Alpha virt. eigenvalues -- 3.91753 3.92730 3.93334 3.94389 3.94612 Alpha virt. eigenvalues -- 3.94827 3.95936 3.96582 3.97954 3.98554 Alpha virt. eigenvalues -- 3.99040 4.00718 4.01248 4.02236 4.03452 Alpha virt. eigenvalues -- 4.04217 4.04335 4.05417 4.06323 4.07423 Alpha virt. eigenvalues -- 4.08090 4.08864 4.09666 4.10094 4.10349 Alpha virt. eigenvalues -- 4.12331 4.12739 4.14124 4.15397 4.16840 Alpha virt. eigenvalues -- 4.17456 4.18172 4.19196 4.20427 4.20931 Alpha virt. eigenvalues -- 4.23305 4.23628 4.24460 4.26226 4.27086 Alpha virt. eigenvalues -- 4.28877 4.29943 4.31439 4.32087 4.33449 Alpha virt. eigenvalues -- 4.33981 4.34809 4.35155 4.36789 4.38113 Alpha virt. eigenvalues -- 4.39489 4.39945 4.40538 4.42086 4.42484 Alpha virt. eigenvalues -- 4.43295 4.44138 4.44307 4.44592 4.45646 Alpha virt. eigenvalues -- 4.48390 4.48570 4.49999 4.50244 4.51311 Alpha virt. eigenvalues -- 4.53403 4.53573 4.55986 4.57001 4.57666 Alpha virt. eigenvalues -- 4.59421 4.59616 4.60390 4.62110 4.62817 Alpha virt. eigenvalues -- 4.64120 4.65267 4.66130 4.66815 4.67136 Alpha virt. eigenvalues -- 4.67638 4.69002 4.70102 4.71255 4.72590 Alpha virt. eigenvalues -- 4.73168 4.74429 4.76399 4.77783 4.79036 Alpha virt. eigenvalues -- 4.80246 4.81530 4.81956 4.82702 4.84528 Alpha virt. eigenvalues -- 4.87829 4.89130 4.90398 4.91094 4.92625 Alpha virt. eigenvalues -- 4.95261 4.97364 5.00340 5.02613 5.06528 Alpha virt. eigenvalues -- 5.07633 5.11663 5.12722 5.15723 5.16721 Alpha virt. eigenvalues -- 5.19545 5.23689 5.24955 5.26325 5.28974 Alpha virt. eigenvalues -- 5.29141 5.30896 5.32567 5.35575 5.38248 Alpha virt. eigenvalues -- 5.38306 5.38703 5.39400 5.40296 5.41041 Alpha virt. eigenvalues -- 5.42387 5.43768 5.44477 5.46763 5.48203 Alpha virt. eigenvalues -- 5.49571 5.50400 5.62239 5.62926 5.72247 Alpha virt. eigenvalues -- 5.75426 5.78522 5.80328 5.82945 5.84021 Alpha virt. eigenvalues -- 5.85982 5.88184 5.90550 5.92262 5.93885 Alpha virt. eigenvalues -- 5.94974 5.95762 5.96437 5.98889 6.00172 Alpha virt. eigenvalues -- 6.00822 6.04147 6.06108 6.07331 6.09175 Alpha virt. eigenvalues -- 6.10593 6.11542 6.12398 6.14020 6.15756 Alpha virt. eigenvalues -- 6.16368 6.17849 6.18992 6.20550 6.23187 Alpha virt. eigenvalues -- 6.23412 6.24184 6.27329 6.31290 6.34509 Alpha virt. eigenvalues -- 6.34713 6.37374 6.38107 6.38402 6.39190 Alpha virt. eigenvalues -- 6.41229 6.41381 6.42486 6.42981 6.43221 Alpha virt. eigenvalues -- 6.43693 6.44816 6.46902 6.47501 6.48758 Alpha virt. eigenvalues -- 6.49039 6.49710 6.50206 6.51916 6.52869 Alpha virt. eigenvalues -- 6.53330 6.53967 6.57719 6.59184 6.59961 Alpha virt. eigenvalues -- 6.60498 6.61626 6.62005 6.63209 6.64116 Alpha virt. eigenvalues -- 6.64342 6.66171 6.66371 6.67380 6.68908 Alpha virt. eigenvalues -- 6.70326 6.72835 6.74499 6.75625 6.77154 Alpha virt. eigenvalues -- 6.78482 6.79300 6.80979 6.82238 6.83447 Alpha virt. eigenvalues -- 6.84469 6.85667 6.87074 6.87827 6.89008 Alpha virt. eigenvalues -- 6.90334 6.90766 6.91940 6.92590 6.93380 Alpha virt. eigenvalues -- 6.93512 6.95228 6.96276 6.97728 6.98143 Alpha virt. eigenvalues -- 6.99184 7.00023 7.01458 7.01900 7.05123 Alpha virt. eigenvalues -- 7.07218 7.09554 7.09771 7.10562 7.10759 Alpha virt. eigenvalues -- 7.12201 7.13057 7.13749 7.15355 7.16007 Alpha virt. eigenvalues -- 7.17272 7.17603 7.18914 7.19779 7.20431 Alpha virt. eigenvalues -- 7.20892 7.21150 7.23257 7.23739 7.25918 Alpha virt. eigenvalues -- 7.27748 7.28115 7.28570 7.30291 7.30594 Alpha virt. eigenvalues -- 7.33493 7.34363 7.35590 7.36271 7.36866 Alpha virt. eigenvalues -- 7.38555 7.39457 7.41146 7.42997 7.44971 Alpha virt. eigenvalues -- 7.46707 7.48376 7.51377 7.56986 7.58286 Alpha virt. eigenvalues -- 7.58698 7.59409 7.60456 7.61340 7.62158 Alpha virt. eigenvalues -- 7.63362 7.64390 7.65774 7.66892 7.68229 Alpha virt. eigenvalues -- 7.68727 7.69309 7.69763 7.69967 7.70202 Alpha virt. eigenvalues -- 7.71230 7.72001 7.72597 7.73835 7.74341 Alpha virt. eigenvalues -- 7.75948 7.77629 7.84849 7.86511 7.88854 Alpha virt. eigenvalues -- 7.89618 7.90996 7.95674 7.96109 8.00780 Alpha virt. eigenvalues -- 8.02699 8.02837 8.03471 8.05411 8.05949 Alpha virt. eigenvalues -- 8.06556 8.07884 8.08314 8.08947 8.10081 Alpha virt. eigenvalues -- 8.10549 8.11896 8.12942 8.14094 8.15213 Alpha virt. eigenvalues -- 8.15590 8.18121 8.18479 8.20912 8.22315 Alpha virt. eigenvalues -- 8.23374 8.24446 8.25245 8.26624 8.28177 Alpha virt. eigenvalues -- 8.28495 8.29664 8.30378 8.31958 8.32930 Alpha virt. eigenvalues -- 8.33313 8.34053 8.34946 8.35956 8.36223 Alpha virt. eigenvalues -- 8.36861 8.37637 8.38391 8.38408 8.40617 Alpha virt. eigenvalues -- 8.40870 8.41509 8.42091 8.43216 8.45020 Alpha virt. eigenvalues -- 8.45759 8.47251 8.50118 8.52484 8.52750 Alpha virt. eigenvalues -- 8.55519 8.56566 8.57054 8.57583 8.57924 Alpha virt. eigenvalues -- 8.59566 8.60199 8.62766 8.63972 8.64377 Alpha virt. eigenvalues -- 8.65095 8.65787 8.66614 8.68402 8.69637 Alpha virt. eigenvalues -- 8.70510 8.72930 8.73433 8.73807 8.77344 Alpha virt. eigenvalues -- 8.77681 8.78937 8.79891 8.81007 8.82160 Alpha virt. eigenvalues -- 8.82609 8.83984 8.84922 8.86291 8.87291 Alpha virt. eigenvalues -- 8.88177 8.88789 8.89176 8.89803 8.90724 Alpha virt. eigenvalues -- 8.91436 8.92032 8.92440 8.93501 8.94001 Alpha virt. eigenvalues -- 8.94903 8.95452 8.96490 8.97865 8.99016 Alpha virt. eigenvalues -- 8.99956 9.00403 9.00477 9.01350 9.01984 Alpha virt. eigenvalues -- 9.03111 9.03615 9.04922 9.05055 9.05820 Alpha virt. eigenvalues -- 9.06365 9.06932 9.07916 9.08309 9.09169 Alpha virt. eigenvalues -- 9.09649 9.10070 9.10633 9.11056 9.11920 Alpha virt. eigenvalues -- 9.12277 9.12925 9.13230 9.13984 9.14740 Alpha virt. eigenvalues -- 9.15074 9.16055 9.16166 9.17104 9.18014 Alpha virt. eigenvalues -- 9.18917 9.19007 9.19618 9.19779 9.20591 Alpha virt. eigenvalues -- 9.21349 9.21856 9.22784 9.23424 9.24068 Alpha virt. eigenvalues -- 9.24676 9.25119 9.25570 9.25707 9.26660 Alpha virt. eigenvalues -- 9.26930 9.27578 9.27902 9.28244 9.28593 Alpha virt. eigenvalues -- 9.29231 9.29567 9.30079 9.30557 9.30986 Alpha virt. eigenvalues -- 9.31494 9.32174 9.32710 9.32867 9.33766 Alpha virt. eigenvalues -- 9.35072 9.35300 9.35551 9.36133 9.37001 Alpha virt. eigenvalues -- 9.37593 9.38173 9.38615 9.40988 9.42056 Alpha virt. eigenvalues -- 9.44056 9.44274 9.46613 9.49908 9.51077 Alpha virt. eigenvalues -- 9.51634 9.52644 9.53978 9.56417 9.57267 Alpha virt. eigenvalues -- 9.58516 9.61171 9.62345 9.66609 9.67123 Alpha virt. eigenvalues -- 9.69049 9.69864 9.70330 9.72378 9.74858 Alpha virt. eigenvalues -- 9.76659 9.77541 9.78152 9.80301 9.81705 Alpha virt. eigenvalues -- 9.82271 9.83001 9.85142 9.85624 9.86621 Alpha virt. eigenvalues -- 9.87276 9.88219 9.90090 9.90839 9.92885 Alpha virt. eigenvalues -- 9.95135 9.96933 9.99124 10.03901 10.07372 Alpha virt. eigenvalues -- 10.13395 10.16418 10.18550 10.20906 10.21806 Alpha virt. eigenvalues -- 10.22651 10.24955 10.25824 10.26862 10.28432 Alpha virt. eigenvalues -- 10.31776 10.35168 10.42151 10.44010 10.45107 Alpha virt. eigenvalues -- 10.47391 10.49937 10.51146 10.51475 10.54364 Alpha virt. eigenvalues -- 10.55272 10.58049 10.68295 10.72813 10.76758 Alpha virt. eigenvalues -- 10.77621 10.78899 10.81307 10.82180 10.83139 Alpha virt. eigenvalues -- 10.86285 10.88047 10.88194 10.89309 10.93860 Alpha virt. eigenvalues -- 10.96461 11.00981 11.08481 11.12515 11.19779 Alpha virt. eigenvalues -- 11.27969 11.29142 11.31662 11.34323 11.34877 Alpha virt. eigenvalues -- 11.39542 11.39779 11.43615 11.45308 11.46141 Alpha virt. eigenvalues -- 11.47468 11.48168 11.49073 11.57398 11.60476 Alpha virt. eigenvalues -- 11.64884 11.66228 11.67301 11.70247 11.76566 Alpha virt. eigenvalues -- 11.81015 11.84832 11.87954 11.93950 12.05496 Alpha virt. eigenvalues -- 12.10003 12.18261 12.19228 12.28150 12.29352 Alpha virt. eigenvalues -- 12.33569 12.34136 12.38179 12.40615 12.42344 Alpha virt. eigenvalues -- 12.52284 12.85243 12.87963 12.97112 12.99693 Alpha virt. eigenvalues -- 13.04551 13.06908 13.08016 13.15987 13.21515 Alpha virt. eigenvalues -- 13.22176 13.26844 13.35656 13.65339 13.67798 Alpha virt. eigenvalues -- 13.74274 14.10284 14.11967 14.20032 14.23459 Alpha virt. eigenvalues -- 14.26188 14.30509 14.48034 14.53403 14.63927 Alpha virt. eigenvalues -- 14.64780 14.67517 14.73840 14.75183 14.76288 Alpha virt. eigenvalues -- 14.84180 14.95878 15.13944 15.21073 16.00416 Alpha virt. eigenvalues -- 16.08591 18.65014 18.95511 19.04638 19.17783 Alpha virt. eigenvalues -- 19.22420 19.46841 19.53803 19.61145 25.11322 Alpha virt. eigenvalues -- 25.26998 25.38437 25.50232 25.58949 25.66778 Alpha virt. eigenvalues -- 29.01402 29.07343 29.11754 29.14895 29.17914 Alpha virt. eigenvalues -- 29.20857 29.21560 29.25912 29.28692 29.37302 Alpha virt. eigenvalues -- 29.41325 29.43140 29.44338 29.47168 29.48664 Alpha virt. eigenvalues -- 34.11583 51.38850 51.67528 51.83065 51.92158 Alpha virt. eigenvalues -- 52.05667 52.07212 52.18403 52.30881 59.38992 Alpha virt. eigenvalues -- 59.45508 59.54343 61.52109 85.75776 85.91621 Alpha virt. eigenvalues -- 86.03148 86.14581 86.22825 170.25956 234.61810 Alpha virt. eigenvalues -- 235.19293 235.31557 236.06424 236.43344 236.61667 Alpha virt. eigenvalues -- 236.85515 237.24541 441.53191 441.76378 441.94340 Alpha virt. eigenvalues -- 442.13752 442.28099 776.10189 Beta occ. eigenvalues -- -88.72561 -88.72532 -88.69705 -88.67337 -88.67330 Beta occ. eigenvalues -- -8.02304 -8.02273 -7.99899 -7.97240 -7.97227 Beta occ. eigenvalues -- -5.96313 -5.96282 -5.95821 -5.95791 -5.95466 Beta occ. eigenvalues -- -5.95432 -5.93937 -5.93499 -5.92668 -5.91311 Beta occ. eigenvalues -- -5.91299 -5.91271 -5.91262 -5.90116 -5.90099 Beta occ. eigenvalues -- -0.85846 -0.80256 -0.72239 -0.64888 -0.57862 Beta occ. eigenvalues -- -0.44802 -0.41002 -0.40362 -0.37582 -0.34393 Beta occ. eigenvalues -- -0.34108 -0.29286 -0.26154 -0.26004 -0.24640 Beta occ. eigenvalues -- -0.23616 -0.09291 -0.08406 -0.06662 -0.05235 Beta occ. eigenvalues -- -0.00594 0.01044 0.01064 0.01455 0.04605 Beta occ. eigenvalues -- 0.05358 0.06000 0.06130 0.07156 0.07451 Beta occ. eigenvalues -- 0.08632 0.08756 0.09377 0.10128 0.10324 Beta occ. eigenvalues -- 0.10577 0.11122 0.11507 0.11936 0.12084 Beta occ. eigenvalues -- 0.12912 0.13782 0.14046 0.14573 0.15025 Beta occ. eigenvalues -- 0.15633 0.15673 0.16543 0.16885 0.17169 Beta occ. eigenvalues -- 0.17599 0.17883 0.18122 0.18567 0.18900 Beta occ. eigenvalues -- 0.19873 0.20376 0.20971 0.21411 0.21684 Beta occ. eigenvalues -- 0.21891 Beta virt. eigenvalues -- 0.22603 0.22990 0.24007 0.24317 0.24609 Beta virt. eigenvalues -- 0.24723 0.25260 0.25427 0.25590 0.27122 Beta virt. eigenvalues -- 0.27379 0.27759 0.27894 0.28606 0.29580 Beta virt. eigenvalues -- 0.29844 0.30877 0.31263 0.31504 0.31964 Beta virt. eigenvalues -- 0.32152 0.32829 0.33313 0.33493 0.34131 Beta virt. eigenvalues -- 0.34239 0.34772 0.35163 0.35799 0.36197 Beta virt. eigenvalues -- 0.36753 0.37449 0.37962 0.38163 0.39322 Beta virt. eigenvalues -- 0.39520 0.39883 0.40187 0.40670 0.41484 Beta virt. eigenvalues -- 0.42024 0.42413 0.43195 0.43696 0.44262 Beta virt. eigenvalues -- 0.44792 0.45303 0.45907 0.46428 0.46741 Beta virt. eigenvalues -- 0.47010 0.47863 0.48361 0.49010 0.49353 Beta virt. eigenvalues -- 0.50255 0.50748 0.51116 0.51639 0.52042 Beta virt. eigenvalues -- 0.52815 0.53224 0.53994 0.54142 0.54951 Beta virt. eigenvalues -- 0.55538 0.56172 0.56577 0.56805 0.57723 Beta virt. eigenvalues -- 0.57992 0.58861 0.59259 0.59865 0.60731 Beta virt. eigenvalues -- 0.60930 0.61283 0.62426 0.63136 0.63533 Beta virt. eigenvalues -- 0.63867 0.64679 0.65312 0.65471 0.66413 Beta virt. eigenvalues -- 0.66825 0.67088 0.68612 0.68994 0.70099 Beta virt. eigenvalues -- 0.70504 0.70695 0.71336 0.72236 0.72408 Beta virt. eigenvalues -- 0.73059 0.74499 0.74830 0.75312 0.75762 Beta virt. eigenvalues -- 0.76178 0.77555 0.77794 0.78726 0.79607 Beta virt. eigenvalues -- 0.79815 0.80107 0.80768 0.81116 0.81895 Beta virt. eigenvalues -- 0.82267 0.82605 0.84015 0.84437 0.84759 Beta virt. eigenvalues -- 0.85351 0.85768 0.86179 0.86589 0.87019 Beta virt. eigenvalues -- 0.87349 0.88062 0.88230 0.89755 0.90145 Beta virt. eigenvalues -- 0.91138 0.91470 0.92092 0.92696 0.93327 Beta virt. eigenvalues -- 0.94156 0.94769 0.95418 0.95586 0.96394 Beta virt. eigenvalues -- 0.96532 0.97161 0.97533 0.98434 0.99174 Beta virt. eigenvalues -- 0.99864 1.00350 1.00957 1.01067 1.01484 Beta virt. eigenvalues -- 1.02058 1.02611 1.02905 1.03435 1.03718 Beta virt. eigenvalues -- 1.03858 1.04434 1.05308 1.05499 1.05689 Beta virt. eigenvalues -- 1.05933 1.06005 1.07129 1.07618 1.07971 Beta virt. eigenvalues -- 1.08123 1.08549 1.08721 1.09174 1.10308 Beta virt. eigenvalues -- 1.10712 1.11142 1.11877 1.12234 1.12665 Beta virt. eigenvalues -- 1.13179 1.13606 1.13958 1.14483 1.14888 Beta virt. eigenvalues -- 1.15328 1.15512 1.15658 1.15834 1.16522 Beta virt. eigenvalues -- 1.16839 1.17157 1.17866 1.18500 1.19159 Beta virt. eigenvalues -- 1.19904 1.20169 1.20714 1.21563 1.22085 Beta virt. eigenvalues -- 1.22176 1.22703 1.23345 1.24667 1.24772 Beta virt. eigenvalues -- 1.25145 1.25296 1.25884 1.26598 1.27100 Beta virt. eigenvalues -- 1.27198 1.28166 1.28578 1.29033 1.29806 Beta virt. eigenvalues -- 1.30406 1.30993 1.31816 1.32199 1.33280 Beta virt. eigenvalues -- 1.33635 1.33782 1.34765 1.35270 1.35456 Beta virt. eigenvalues -- 1.36427 1.36818 1.37147 1.38032 1.38335 Beta virt. eigenvalues -- 1.38635 1.38927 1.39179 1.40422 1.41136 Beta virt. eigenvalues -- 1.41384 1.42253 1.42508 1.42667 1.44282 Beta virt. eigenvalues -- 1.44784 1.44987 1.46096 1.46580 1.47338 Beta virt. eigenvalues -- 1.48491 1.49417 1.49969 1.50291 1.51518 Beta virt. eigenvalues -- 1.52037 1.52504 1.52682 1.53471 1.54054 Beta virt. eigenvalues -- 1.54544 1.54874 1.55267 1.55566 1.56403 Beta virt. eigenvalues -- 1.56773 1.57591 1.57938 1.58282 1.58599 Beta virt. eigenvalues -- 1.59330 1.59992 1.60087 1.61103 1.61568 Beta virt. eigenvalues -- 1.62374 1.62830 1.64358 1.64986 1.66080 Beta virt. eigenvalues -- 1.66227 1.66844 1.67383 1.68137 1.69105 Beta virt. eigenvalues -- 1.69580 1.70224 1.70548 1.71315 1.72366 Beta virt. eigenvalues -- 1.72905 1.74309 1.74770 1.75687 1.76075 Beta virt. eigenvalues -- 1.76860 1.77687 1.78301 1.78405 1.79350 Beta virt. eigenvalues -- 1.81498 1.81943 1.83146 1.83776 1.84485 Beta virt. eigenvalues -- 1.85265 1.85510 1.86234 1.86627 1.87921 Beta virt. eigenvalues -- 1.88578 1.88723 1.89214 1.91413 1.91815 Beta virt. eigenvalues -- 1.91892 1.92580 1.92910 1.93207 1.94749 Beta virt. eigenvalues -- 1.95283 1.95422 1.97045 1.97362 1.98070 Beta virt. eigenvalues -- 1.98964 1.99063 1.99267 1.99671 2.00941 Beta virt. eigenvalues -- 2.02379 2.03232 2.03452 2.03780 2.04416 Beta virt. eigenvalues -- 2.05370 2.05750 2.06894 2.08014 2.08806 Beta virt. eigenvalues -- 2.09540 2.09969 2.11186 2.11383 2.11909 Beta virt. eigenvalues -- 2.13360 2.14193 2.15109 2.16453 2.17826 Beta virt. eigenvalues -- 2.19482 2.20876 2.21420 2.22727 2.23270 Beta virt. eigenvalues -- 2.24788 2.25151 2.25788 2.26373 2.27008 Beta virt. eigenvalues -- 2.27984 2.28396 2.29773 2.30958 2.32506 Beta virt. eigenvalues -- 2.33320 2.35085 2.35658 2.35844 2.37731 Beta virt. eigenvalues -- 2.38891 2.39768 2.40171 2.41214 2.42735 Beta virt. eigenvalues -- 2.42962 2.43448 2.44261 2.45603 2.46282 Beta virt. eigenvalues -- 2.47162 2.47509 2.48211 2.48699 2.50104 Beta virt. eigenvalues -- 2.51038 2.52021 2.52341 2.53344 2.54162 Beta virt. eigenvalues -- 2.54869 2.55462 2.55839 2.56481 2.57316 Beta virt. eigenvalues -- 2.57691 2.58726 2.59381 2.59630 2.60125 Beta virt. eigenvalues -- 2.60600 2.61688 2.62213 2.62763 2.62875 Beta virt. eigenvalues -- 2.63676 2.64276 2.64930 2.65806 2.66566 Beta virt. eigenvalues -- 2.67027 2.67594 2.68256 2.69204 2.70037 Beta virt. eigenvalues -- 2.70212 2.70784 2.71106 2.71626 2.72569 Beta virt. eigenvalues -- 2.73157 2.73495 2.73827 2.74929 2.75217 Beta virt. eigenvalues -- 2.75833 2.76062 2.76627 2.77143 2.77336 Beta virt. eigenvalues -- 2.78018 2.78556 2.79391 2.79873 2.80587 Beta virt. eigenvalues -- 2.80862 2.81296 2.81555 2.82175 2.83357 Beta virt. eigenvalues -- 2.83930 2.84555 2.85031 2.85619 2.86031 Beta virt. eigenvalues -- 2.86391 2.86803 2.87302 2.88036 2.88342 Beta virt. eigenvalues -- 2.88689 2.89334 2.89911 2.90187 2.90910 Beta virt. eigenvalues -- 2.91411 2.91730 2.92114 2.92826 2.93323 Beta virt. eigenvalues -- 2.93724 2.94135 2.94696 2.95155 2.95800 Beta virt. eigenvalues -- 2.96052 2.96465 2.97179 2.97626 2.98371 Beta virt. eigenvalues -- 2.98530 2.98650 2.99174 2.99411 3.00245 Beta virt. eigenvalues -- 3.00794 3.01165 3.01476 3.02197 3.02699 Beta virt. eigenvalues -- 3.03052 3.03392 3.03725 3.04292 3.04953 Beta virt. eigenvalues -- 3.05143 3.05428 3.05613 3.06626 3.07042 Beta virt. eigenvalues -- 3.07056 3.07668 3.08691 3.08842 3.09161 Beta virt. eigenvalues -- 3.09616 3.10771 3.11361 3.11508 3.11951 Beta virt. eigenvalues -- 3.12437 3.12519 3.12704 3.12887 3.13697 Beta virt. eigenvalues -- 3.14134 3.14745 3.15802 3.16487 3.16742 Beta virt. eigenvalues -- 3.17793 3.18365 3.18614 3.19478 3.20043 Beta virt. eigenvalues -- 3.20489 3.20860 3.21579 3.22377 3.22728 Beta virt. eigenvalues -- 3.23327 3.23816 3.24306 3.25215 3.25429 Beta virt. eigenvalues -- 3.25763 3.26148 3.26873 3.27836 3.28153 Beta virt. eigenvalues -- 3.28692 3.28985 3.29465 3.30372 3.31083 Beta virt. eigenvalues -- 3.31222 3.32025 3.32271 3.32476 3.33013 Beta virt. eigenvalues -- 3.33690 3.33963 3.34565 3.35327 3.35645 Beta virt. eigenvalues -- 3.36858 3.37389 3.37509 3.38189 3.39006 Beta virt. eigenvalues -- 3.39259 3.39979 3.40291 3.40930 3.41671 Beta virt. eigenvalues -- 3.41948 3.42456 3.43379 3.43658 3.44346 Beta virt. eigenvalues -- 3.44846 3.44860 3.45419 3.46893 3.47876 Beta virt. eigenvalues -- 3.48205 3.48569 3.48905 3.49726 3.50501 Beta virt. eigenvalues -- 3.51213 3.51847 3.52501 3.53207 3.53529 Beta virt. eigenvalues -- 3.53701 3.54404 3.54504 3.55491 3.56345 Beta virt. eigenvalues -- 3.56797 3.57568 3.58789 3.58964 3.59415 Beta virt. eigenvalues -- 3.60187 3.60744 3.61942 3.62699 3.62813 Beta virt. eigenvalues -- 3.62955 3.64338 3.64862 3.65832 3.66601 Beta virt. eigenvalues -- 3.66870 3.67003 3.68420 3.68727 3.69604 Beta virt. eigenvalues -- 3.70773 3.71678 3.72663 3.73100 3.73254 Beta virt. eigenvalues -- 3.74498 3.75071 3.75603 3.76148 3.76848 Beta virt. eigenvalues -- 3.77271 3.78478 3.78951 3.79519 3.79865 Beta virt. eigenvalues -- 3.80492 3.81628 3.81786 3.82708 3.83054 Beta virt. eigenvalues -- 3.83671 3.83760 3.84858 3.85218 3.85890 Beta virt. eigenvalues -- 3.87432 3.87872 3.88801 3.89265 3.89416 Beta virt. eigenvalues -- 3.90380 3.91277 3.91928 3.92889 3.93376 Beta virt. eigenvalues -- 3.94071 3.94882 3.95650 3.96556 3.97603 Beta virt. eigenvalues -- 3.97978 3.99649 3.99900 4.00272 4.01380 Beta virt. eigenvalues -- 4.02419 4.03497 4.04179 4.04931 4.06041 Beta virt. eigenvalues -- 4.07057 4.07502 4.08149 4.08445 4.08891 Beta virt. eigenvalues -- 4.10443 4.11403 4.12610 4.13058 4.14394 Beta virt. eigenvalues -- 4.15300 4.16553 4.18105 4.19306 4.19937 Beta virt. eigenvalues -- 4.22511 4.22739 4.23780 4.25080 4.25737 Beta virt. eigenvalues -- 4.26873 4.28048 4.29078 4.29530 4.31522 Beta virt. eigenvalues -- 4.31903 4.33203 4.33648 4.35784 4.36415 Beta virt. eigenvalues -- 4.37358 4.38698 4.39361 4.41027 4.41770 Beta virt. eigenvalues -- 4.41916 4.42272 4.42660 4.43327 4.44057 Beta virt. eigenvalues -- 4.45761 4.46976 4.48267 4.49201 4.50390 Beta virt. eigenvalues -- 4.51346 4.51876 4.53957 4.55323 4.56535 Beta virt. eigenvalues -- 4.57505 4.57871 4.59084 4.60699 4.61154 Beta virt. eigenvalues -- 4.62648 4.63981 4.64620 4.65226 4.65776 Beta virt. eigenvalues -- 4.65976 4.68075 4.68267 4.70406 4.71106 Beta virt. eigenvalues -- 4.73405 4.73636 4.76011 4.76507 4.77229 Beta virt. eigenvalues -- 4.79267 4.80230 4.81574 4.81743 4.83417 Beta virt. eigenvalues -- 4.87175 4.88458 4.89964 4.90526 4.90950 Beta virt. eigenvalues -- 4.94341 4.97618 4.99806 5.01480 5.05684 Beta virt. eigenvalues -- 5.06951 5.11220 5.11934 5.15121 5.15814 Beta virt. eigenvalues -- 5.18192 5.22801 5.25074 5.25779 5.28554 Beta virt. eigenvalues -- 5.29074 5.30193 5.32219 5.35483 5.37597 Beta virt. eigenvalues -- 5.37916 5.38295 5.39014 5.39931 5.40507 Beta virt. eigenvalues -- 5.42455 5.43475 5.43638 5.46251 5.47753 Beta virt. eigenvalues -- 5.49204 5.49817 5.61836 5.62655 5.70792 Beta virt. eigenvalues -- 5.75753 5.78033 5.80344 5.82453 5.84044 Beta virt. eigenvalues -- 5.85914 5.88116 5.89991 5.92010 5.93619 Beta virt. eigenvalues -- 5.94892 5.95521 5.96446 5.98531 6.00402 Beta virt. eigenvalues -- 6.01104 6.03819 6.05370 6.06969 6.08936 Beta virt. eigenvalues -- 6.10303 6.11489 6.11660 6.14281 6.15455 Beta virt. eigenvalues -- 6.16420 6.17509 6.19042 6.20498 6.22892 Beta virt. eigenvalues -- 6.23165 6.24163 6.28087 6.31165 6.34122 Beta virt. eigenvalues -- 6.34431 6.36205 6.37128 6.38148 6.39051 Beta virt. eigenvalues -- 6.40998 6.41391 6.42064 6.42432 6.43179 Beta virt. eigenvalues -- 6.43781 6.44492 6.46746 6.47728 6.48558 Beta virt. eigenvalues -- 6.48872 6.49663 6.50473 6.51691 6.52620 Beta virt. eigenvalues -- 6.53322 6.53708 6.57759 6.59175 6.60204 Beta virt. eigenvalues -- 6.60287 6.61266 6.61635 6.62933 6.63132 Beta virt. eigenvalues -- 6.64201 6.65719 6.66276 6.67193 6.68747 Beta virt. eigenvalues -- 6.70135 6.72958 6.74882 6.75650 6.76775 Beta virt. eigenvalues -- 6.78335 6.79001 6.80742 6.82089 6.83159 Beta virt. eigenvalues -- 6.84338 6.85623 6.87358 6.87806 6.88460 Beta virt. eigenvalues -- 6.89948 6.90892 6.92367 6.92487 6.93263 Beta virt. eigenvalues -- 6.93625 6.95007 6.96134 6.97542 6.98133 Beta virt. eigenvalues -- 6.99311 6.99873 7.00473 7.01740 7.05124 Beta virt. eigenvalues -- 7.07386 7.09042 7.09161 7.10202 7.10436 Beta virt. eigenvalues -- 7.11812 7.13129 7.13514 7.14864 7.15475 Beta virt. eigenvalues -- 7.17248 7.17450 7.18798 7.19690 7.20075 Beta virt. eigenvalues -- 7.20660 7.21390 7.23552 7.24437 7.25513 Beta virt. eigenvalues -- 7.27009 7.27858 7.28380 7.30112 7.30479 Beta virt. eigenvalues -- 7.33307 7.34515 7.35348 7.35807 7.36894 Beta virt. eigenvalues -- 7.38676 7.39237 7.40920 7.42328 7.44784 Beta virt. eigenvalues -- 7.46090 7.48114 7.51297 7.56770 7.58197 Beta virt. eigenvalues -- 7.58404 7.59428 7.60280 7.61121 7.61918 Beta virt. eigenvalues -- 7.63044 7.64163 7.65738 7.66771 7.67960 Beta virt. eigenvalues -- 7.68235 7.68806 7.69235 7.69580 7.69833 Beta virt. eigenvalues -- 7.70724 7.71904 7.72619 7.73605 7.74401 Beta virt. eigenvalues -- 7.75997 7.77583 7.84882 7.86106 7.88360 Beta virt. eigenvalues -- 7.89377 7.91011 7.95063 7.96505 8.00941 Beta virt. eigenvalues -- 8.01119 8.02755 8.03447 8.05051 8.05955 Beta virt. eigenvalues -- 8.06266 8.07621 8.07751 8.08574 8.09514 Beta virt. eigenvalues -- 8.10354 8.11820 8.12828 8.13937 8.14566 Beta virt. eigenvalues -- 8.15618 8.17487 8.17941 8.21340 8.22013 Beta virt. eigenvalues -- 8.23546 8.24312 8.25307 8.26345 8.27556 Beta virt. eigenvalues -- 8.28239 8.29260 8.30210 8.31494 8.32537 Beta virt. eigenvalues -- 8.33124 8.34135 8.34654 8.35784 8.36127 Beta virt. eigenvalues -- 8.36749 8.37606 8.38057 8.38292 8.39738 Beta virt. eigenvalues -- 8.40689 8.41095 8.41897 8.43356 8.44771 Beta virt. eigenvalues -- 8.45997 8.47240 8.51977 8.52850 8.54410 Beta virt. eigenvalues -- 8.55228 8.56512 8.57406 8.57745 8.59148 Beta virt. eigenvalues -- 8.59922 8.61881 8.62597 8.63751 8.64613 Beta virt. eigenvalues -- 8.65543 8.65929 8.66778 8.68842 8.70409 Beta virt. eigenvalues -- 8.73103 8.73491 8.73912 8.75569 8.77656 Beta virt. eigenvalues -- 8.77972 8.78769 8.80213 8.81241 8.82332 Beta virt. eigenvalues -- 8.82637 8.83998 8.84851 8.85936 8.87025 Beta virt. eigenvalues -- 8.88879 8.89313 8.90088 8.90607 8.90963 Beta virt. eigenvalues -- 8.92076 8.92378 8.92547 8.93451 8.93766 Beta virt. eigenvalues -- 8.94850 8.95343 8.96764 8.98252 8.98908 Beta virt. eigenvalues -- 8.99000 8.99921 9.00874 9.01161 9.02590 Beta virt. eigenvalues -- 9.03246 9.03769 9.04062 9.04877 9.05228 Beta virt. eigenvalues -- 9.05981 9.06900 9.07451 9.08254 9.08611 Beta virt. eigenvalues -- 9.09103 9.09797 9.10286 9.11070 9.11718 Beta virt. eigenvalues -- 9.11778 9.12442 9.12873 9.13738 9.14213 Beta virt. eigenvalues -- 9.14967 9.15102 9.15437 9.16918 9.17836 Beta virt. eigenvalues -- 9.18893 9.19031 9.19591 9.20134 9.20497 Beta virt. eigenvalues -- 9.20946 9.21933 9.22369 9.23300 9.23601 Beta virt. eigenvalues -- 9.24315 9.24866 9.25090 9.25343 9.26259 Beta virt. eigenvalues -- 9.26736 9.27154 9.27586 9.27669 9.28171 Beta virt. eigenvalues -- 9.28907 9.29188 9.30001 9.30091 9.30962 Beta virt. eigenvalues -- 9.31560 9.31712 9.32509 9.33061 9.33612 Beta virt. eigenvalues -- 9.34367 9.34777 9.35884 9.36222 9.36953 Beta virt. eigenvalues -- 9.37756 9.38406 9.39827 9.41023 9.42574 Beta virt. eigenvalues -- 9.43848 9.44148 9.46286 9.47597 9.48448 Beta virt. eigenvalues -- 9.50482 9.51869 9.53630 9.55631 9.56570 Beta virt. eigenvalues -- 9.58422 9.60723 9.61060 9.66005 9.66351 Beta virt. eigenvalues -- 9.68787 9.69439 9.70480 9.72664 9.75013 Beta virt. eigenvalues -- 9.76522 9.77475 9.77987 9.80371 9.81386 Beta virt. eigenvalues -- 9.81866 9.82935 9.84892 9.85522 9.86555 Beta virt. eigenvalues -- 9.87191 9.87763 9.89430 9.90478 9.92860 Beta virt. eigenvalues -- 9.95225 9.96041 9.99363 10.03324 10.06384 Beta virt. eigenvalues -- 10.12283 10.15183 10.18107 10.20026 10.21186 Beta virt. eigenvalues -- 10.21948 10.24802 10.25328 10.26325 10.28698 Beta virt. eigenvalues -- 10.31596 10.35426 10.42518 10.43080 10.45007 Beta virt. eigenvalues -- 10.47286 10.49638 10.50961 10.51308 10.53268 Beta virt. eigenvalues -- 10.55291 10.58059 10.66172 10.72853 10.77019 Beta virt. eigenvalues -- 10.77786 10.79148 10.80244 10.81922 10.82937 Beta virt. eigenvalues -- 10.86063 10.87100 10.87912 10.88207 10.92948 Beta virt. eigenvalues -- 10.95665 11.01349 11.08396 11.12300 11.19704 Beta virt. eigenvalues -- 11.27454 11.29142 11.31117 11.33031 11.34668 Beta virt. eigenvalues -- 11.38427 11.39207 11.43591 11.44462 11.45754 Beta virt. eigenvalues -- 11.46299 11.47274 11.48114 11.54578 11.57908 Beta virt. eigenvalues -- 11.59700 11.65613 11.67217 11.67475 11.70404 Beta virt. eigenvalues -- 11.80122 11.84584 11.87375 11.92450 12.08385 Beta virt. eigenvalues -- 12.10788 12.13818 12.18565 12.23716 12.28833 Beta virt. eigenvalues -- 12.33421 12.33933 12.37959 12.40557 12.42415 Beta virt. eigenvalues -- 12.55707 12.83088 12.87579 12.91942 13.01864 Beta virt. eigenvalues -- 13.06137 13.07600 13.13470 13.15712 13.21267 Beta virt. eigenvalues -- 13.21929 13.37871 13.39349 13.65142 13.67095 Beta virt. eigenvalues -- 13.73642 14.06919 14.08921 14.17056 14.22084 Beta virt. eigenvalues -- 14.24019 14.27968 14.44692 14.53292 14.60640 Beta virt. eigenvalues -- 14.63468 14.65448 14.73356 14.74705 14.76064 Beta virt. eigenvalues -- 14.83929 14.95780 15.11777 15.21085 15.98093 Beta virt. eigenvalues -- 16.09114 18.63079 18.94034 19.03721 19.15441 Beta virt. eigenvalues -- 19.24613 19.46315 19.53284 19.61154 25.10766 Beta virt. eigenvalues -- 25.25591 25.37112 25.48616 25.57582 25.61358 Beta virt. eigenvalues -- 29.01369 29.06261 29.10575 29.14217 29.17526 Beta virt. eigenvalues -- 29.19924 29.20451 29.24948 29.27487 29.33503 Beta virt. eigenvalues -- 29.38769 29.42117 29.43804 29.46401 29.47597 Beta virt. eigenvalues -- 33.65275 51.29659 51.61252 51.69762 51.95482 Beta virt. eigenvalues -- 52.05716 52.11416 52.17519 52.30921 59.26364 Beta virt. eigenvalues -- 59.32410 59.41262 61.36243 85.75061 85.89469 Beta virt. eigenvalues -- 86.00944 86.12293 86.21430 169.90702 233.65389 Beta virt. eigenvalues -- 234.55324 235.05193 236.30025 236.57083 236.63488 Beta virt. eigenvalues -- 236.83048 237.24618 441.53386 441.77012 441.94969 Beta virt. eigenvalues -- 442.14348 442.28438 775.59352 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 Tc 0.600473 -0.040769 0.032765 0.005763 0.034181 -0.018620 2 S -0.040769 15.864210 0.173043 -0.060947 0.002502 0.013066 3 S 0.032765 0.173043 15.579153 0.122599 -0.035727 0.001536 4 S 0.005763 -0.060947 0.122599 15.850169 0.122583 -0.064481 5 S 0.034181 0.002502 -0.035727 0.122583 15.579837 0.166859 6 S -0.018620 0.013066 0.001536 -0.064481 0.166859 15.848769 7 C -0.002158 -0.000045 0.000067 -0.000162 0.000345 -0.008718 8 C -0.003917 0.000899 -0.000235 0.000215 -0.000231 0.008941 9 C 0.005258 0.002581 -0.000110 0.000016 0.000049 -0.000257 10 P -0.120167 0.046516 0.000382 0.002560 0.000070 0.021315 11 C -0.029559 -0.001640 0.006571 -0.000075 0.006905 -0.002555 12 C -0.048027 -0.001294 0.001806 -0.000030 -0.016330 -0.017089 13 C -0.046965 -0.003701 0.002231 -0.000198 -0.000262 0.013907 14 C -0.041330 0.004602 -0.000348 0.000162 0.001857 -0.000781 15 C -0.036079 -0.016427 -0.018274 -0.000119 0.002257 0.000142 16 H -0.000676 0.000060 0.000000 -0.000006 0.000011 -0.000502 17 H 0.000499 0.000010 0.000002 0.000000 -0.000025 0.001087 18 H 0.002557 -0.000150 0.000003 0.000016 -0.000036 0.000999 19 H -0.000697 -0.000204 0.000004 0.000011 -0.000004 0.000323 20 H 0.001536 -0.001263 0.000047 -0.000158 0.000094 -0.003303 21 H 0.001981 -0.001417 -0.000030 0.000044 -0.000014 -0.000334 22 H -0.000077 0.000003 -0.000001 0.000000 0.000000 0.000051 23 H 0.000356 -0.000072 -0.000003 0.000001 -0.000001 0.000056 24 H -0.000626 0.000084 -0.000005 -0.000005 0.000000 0.000010 25 H -0.001785 0.000654 -0.006291 0.000453 -0.006769 0.000831 26 H -0.006367 -0.000228 -0.000263 0.000741 0.001402 0.013080 27 H -0.002771 -0.000271 0.000104 -0.000062 -0.000043 -0.000601 28 H 0.000326 0.008393 -0.001203 0.000648 -0.000205 -0.000260 29 H -0.004041 0.001569 0.000007 -0.000022 0.000076 -0.000140 7 8 9 10 11 12 1 Tc -0.002158 -0.003917 0.005258 -0.120167 -0.029559 -0.048027 2 S -0.000045 0.000899 0.002581 0.046516 -0.001640 -0.001294 3 S 0.000067 -0.000235 -0.000110 0.000382 0.006571 0.001806 4 S -0.000162 0.000215 0.000016 0.002560 -0.000075 -0.000030 5 S 0.000345 -0.000231 0.000049 0.000070 0.006905 -0.016330 6 S -0.008718 0.008941 -0.000257 0.021315 -0.002555 -0.017089 7 C 0.010583 0.000778 -0.001051 -0.003581 0.000304 -0.000111 8 C 0.000778 0.025668 -0.000105 -0.012500 -0.000048 -0.000063 9 C -0.001051 -0.000105 0.010130 -0.009759 -0.000070 0.000158 10 P -0.003581 -0.012500 -0.009759 0.169358 -0.002792 -0.000479 11 C 0.000304 -0.000048 -0.000070 -0.002792 0.059281 -0.011915 12 C -0.000111 -0.000063 0.000158 -0.000479 -0.011915 0.062206 13 C -0.001454 -0.000559 0.000386 -0.002283 0.007259 -0.004893 14 C 0.000219 0.000261 -0.000868 0.000521 0.005379 0.003121 15 C -0.000187 -0.000059 -0.000209 -0.000298 -0.013552 0.002636 16 H -0.000115 0.000114 -0.000153 -0.000178 0.000013 0.000002 17 H -0.002108 0.000018 -0.000001 0.000233 -0.000037 -0.000102 18 H -0.002244 0.000207 -0.000123 -0.002073 0.000006 -0.000014 19 H 0.000153 0.000822 -0.000031 -0.000970 -0.000002 -0.000001 20 H -0.000132 -0.006818 0.000044 -0.000347 0.000002 0.000003 21 H -0.000094 -0.003665 0.000016 -0.000405 -0.000001 0.000004 22 H 0.000119 -0.000056 -0.000745 -0.000211 0.000004 -0.000007 23 H -0.000030 -0.000097 -0.001086 -0.000680 -0.000011 0.000021 24 H 0.000129 -0.000102 -0.000999 0.000184 0.000073 -0.000100 25 H 0.000027 -0.000003 -0.000000 -0.000155 -0.007030 -0.003880 26 H -0.000342 -0.000019 0.000044 0.000144 -0.001768 -0.000189 27 H 0.000484 0.000017 -0.000428 0.000997 0.001510 -0.002843 28 H -0.000012 0.000060 0.000002 0.000082 -0.002298 0.002071 29 H -0.000069 -0.000046 0.000284 -0.000400 0.000126 0.001797 13 14 15 16 17 18 1 Tc -0.046965 -0.041330 -0.036079 -0.000676 0.000499 0.002557 2 S -0.003701 0.004602 -0.016427 0.000060 0.000010 -0.000150 3 S 0.002231 -0.000348 -0.018274 0.000000 0.000002 0.000003 4 S -0.000198 0.000162 -0.000119 -0.000006 0.000000 0.000016 5 S -0.000262 0.001857 0.002257 0.000011 -0.000025 -0.000036 6 S 0.013907 -0.000781 0.000142 -0.000502 0.001087 0.000999 7 C -0.001454 0.000219 -0.000187 -0.000115 -0.002108 -0.002244 8 C -0.000559 0.000261 -0.000059 0.000114 0.000018 0.000207 9 C 0.000386 -0.000868 -0.000209 -0.000153 -0.000001 -0.000123 10 P -0.002283 0.000521 -0.000298 -0.000178 0.000233 -0.002073 11 C 0.007259 0.005379 -0.013552 0.000013 -0.000037 0.000006 12 C -0.004893 0.003121 0.002636 0.000002 -0.000102 -0.000014 13 C 0.054537 -0.003651 -0.003706 -0.000179 0.000240 0.000004 14 C -0.003651 0.037971 -0.001734 0.000024 -0.000060 0.000017 15 C -0.003706 -0.001734 0.054939 -0.000009 0.000039 0.000003 16 H -0.000179 0.000024 -0.000009 0.001143 -0.000088 -0.000158 17 H 0.000240 -0.000060 0.000039 -0.000088 0.001717 0.000099 18 H 0.000004 0.000017 0.000003 -0.000158 0.000099 0.002046 19 H -0.000027 0.000023 -0.000002 0.000139 0.000008 0.000006 20 H 0.000031 -0.000019 -0.000004 -0.000040 0.000003 -0.000047 21 H 0.000022 -0.000007 0.000010 -0.000024 -0.000004 -0.000001 22 H 0.000017 -0.000047 -0.000012 0.000022 -0.000009 -0.000014 23 H 0.000034 -0.000179 -0.000088 0.000006 0.000000 -0.000011 24 H -0.000018 -0.000045 -0.000166 0.000054 -0.000040 -0.000023 25 H 0.001644 -0.000073 -0.000593 0.000001 -0.000002 0.000001 26 H -0.000264 0.001098 0.002328 -0.000017 0.000034 -0.000021 27 H -0.001760 0.000122 -0.000284 0.000062 -0.000040 -0.000004 28 H -0.001127 -0.000374 -0.002120 -0.000000 0.000003 -0.000000 29 H 0.000294 -0.001542 -0.000886 -0.000003 -0.000001 0.000001 19 20 21 22 23 24 1 Tc -0.000697 0.001536 0.001981 -0.000077 0.000356 -0.000626 2 S -0.000204 -0.001263 -0.001417 0.000003 -0.000072 0.000084 3 S 0.000004 0.000047 -0.000030 -0.000001 -0.000003 -0.000005 4 S 0.000011 -0.000158 0.000044 0.000000 0.000001 -0.000005 5 S -0.000004 0.000094 -0.000014 0.000000 -0.000001 0.000000 6 S 0.000323 -0.003303 -0.000334 0.000051 0.000056 0.000010 7 C 0.000153 -0.000132 -0.000094 0.000119 -0.000030 0.000129 8 C 0.000822 -0.006818 -0.003665 -0.000056 -0.000097 -0.000102 9 C -0.000031 0.000044 0.000016 -0.000745 -0.001086 -0.000999 10 P -0.000970 -0.000347 -0.000405 -0.000211 -0.000680 0.000184 11 C -0.000002 0.000002 -0.000001 0.000004 -0.000011 0.000073 12 C -0.000001 0.000003 0.000004 -0.000007 0.000021 -0.000100 13 C -0.000027 0.000031 0.000022 0.000017 0.000034 -0.000018 14 C 0.000023 -0.000019 -0.000007 -0.000047 -0.000179 -0.000045 15 C -0.000002 -0.000004 0.000010 -0.000012 -0.000088 -0.000166 16 H 0.000139 -0.000040 -0.000024 0.000022 0.000006 0.000054 17 H 0.000008 0.000003 -0.000004 -0.000009 0.000000 -0.000040 18 H 0.000006 -0.000047 -0.000001 -0.000014 -0.000011 -0.000023 19 H 0.001386 -0.000371 -0.000385 0.000032 -0.000015 -0.000016 20 H -0.000371 0.005276 0.000668 -0.000005 0.000016 0.000007 21 H -0.000385 0.000668 0.002054 -0.000021 -0.000008 -0.000006 22 H 0.000032 -0.000005 -0.000021 0.000660 0.000218 0.000111 23 H -0.000015 0.000016 -0.000008 0.000218 0.001587 0.000223 24 H -0.000016 0.000007 -0.000006 0.000111 0.000223 0.001184 25 H -0.000000 -0.000001 -0.000000 0.000000 -0.000001 0.000003 26 H -0.000000 0.000004 0.000001 -0.000000 0.000003 -0.000019 27 H 0.000001 -0.000003 -0.000000 0.000007 -0.000004 0.000177 28 H 0.000002 -0.000001 0.000002 -0.000003 -0.000004 -0.000027 29 H -0.000004 0.000007 -0.000003 -0.000006 0.000078 0.000046 25 26 27 28 29 1 Tc -0.001785 -0.006367 -0.002771 0.000326 -0.004041 2 S 0.000654 -0.000228 -0.000271 0.008393 0.001569 3 S -0.006291 -0.000263 0.000104 -0.001203 0.000007 4 S 0.000453 0.000741 -0.000062 0.000648 -0.000022 5 S -0.006769 0.001402 -0.000043 -0.000205 0.000076 6 S 0.000831 0.013080 -0.000601 -0.000260 -0.000140 7 C 0.000027 -0.000342 0.000484 -0.000012 -0.000069 8 C -0.000003 -0.000019 0.000017 0.000060 -0.000046 9 C -0.000000 0.000044 -0.000428 0.000002 0.000284 10 P -0.000155 0.000144 0.000997 0.000082 -0.000400 11 C -0.007030 -0.001768 0.001510 -0.002298 0.000126 12 C -0.003880 -0.000189 -0.002843 0.002071 0.001797 13 C 0.001644 -0.000264 -0.001760 -0.001127 0.000294 14 C -0.000073 0.001098 0.000122 -0.000374 -0.001542 15 C -0.000593 0.002328 -0.000284 -0.002120 -0.000886 16 H 0.000001 -0.000017 0.000062 -0.000000 -0.000003 17 H -0.000002 0.000034 -0.000040 0.000003 -0.000001 18 H 0.000001 -0.000021 -0.000004 -0.000000 0.000001 19 H -0.000000 -0.000000 0.000001 0.000002 -0.000004 20 H -0.000001 0.000004 -0.000003 -0.000001 0.000007 21 H -0.000000 0.000001 -0.000000 0.000002 -0.000003 22 H 0.000000 -0.000000 0.000007 -0.000003 -0.000006 23 H -0.000001 0.000003 -0.000004 -0.000004 0.000078 24 H 0.000003 -0.000019 0.000177 -0.000027 0.000046 25 H 0.011696 -0.002574 0.000144 -0.001854 -0.000073 26 H -0.002574 0.011758 -0.001411 0.000273 0.000104 27 H 0.000144 -0.001411 0.006785 -0.000098 -0.000648 28 H -0.001854 0.000273 -0.000098 0.006926 -0.000263 29 H -0.000073 0.000104 -0.000648 -0.000263 0.006348 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 Tc -0.017180 0.051515 -0.004126 -0.002238 -0.000470 0.045254 2 S 0.051515 -0.942270 0.085739 -0.009750 -0.004590 0.011670 3 S -0.004126 0.085739 -0.330752 -0.006375 0.009873 -0.004702 4 S -0.002238 -0.009750 -0.006375 0.039613 -0.006863 -0.010522 5 S -0.000470 -0.004590 0.009873 -0.006863 -0.338072 0.086351 6 S 0.045254 0.011670 -0.004702 -0.010522 0.086351 -0.932676 7 C -0.001321 0.000233 0.000000 -0.000009 -0.000008 0.000123 8 C -0.001347 -0.000522 -0.000083 0.000054 0.000003 0.000456 9 C -0.001312 -0.000373 0.000003 0.000000 0.000012 -0.000103 10 P 0.004802 0.008066 -0.000743 -0.000902 -0.000786 0.006971 11 C 0.006544 -0.002233 0.003612 0.001569 0.001110 -0.001519 12 C -0.008353 -0.001728 0.000385 0.000222 0.001019 -0.000127 13 C 0.005010 0.004133 -0.001737 -0.000012 0.001728 -0.005793 14 C 0.000054 -0.004798 0.001981 0.000024 -0.001189 0.003221 15 C -0.002471 0.000172 0.001090 0.000132 0.000267 -0.001164 16 H -0.000119 0.000009 0.000000 -0.000001 -0.000001 0.000082 17 H -0.000448 0.000034 -0.000000 -0.000004 -0.000000 -0.000233 18 H 0.000871 -0.000075 0.000009 -0.000013 0.000006 0.000633 19 H -0.000273 0.000120 -0.000005 0.000001 -0.000002 0.000102 20 H -0.000647 0.001099 -0.000056 -0.000026 -0.000057 0.001021 21 H 0.000466 0.000135 0.000012 -0.000006 0.000006 -0.000085 22 H -0.000095 0.000023 -0.000001 -0.000000 -0.000000 0.000019 23 H -0.000537 -0.000208 0.000001 -0.000003 0.000000 0.000025 24 H 0.000174 0.000042 -0.000002 -0.000002 -0.000001 -0.000003 25 H 0.003325 0.000327 -0.000636 -0.000735 -0.000004 0.000085 26 H -0.003843 -0.000373 0.000302 0.000099 0.003009 -0.000310 27 H 0.003520 0.000631 -0.000094 -0.000007 0.000040 -0.001168 28 H -0.001483 -0.000940 0.002690 0.000085 0.000262 -0.000302 29 H -0.000539 -0.002046 0.000204 -0.000006 -0.000072 0.000444 7 8 9 10 11 12 1 Tc -0.001321 -0.001347 -0.001312 0.004802 0.006544 -0.008353 2 S 0.000233 -0.000522 -0.000373 0.008066 -0.002233 -0.001728 3 S 0.000000 -0.000083 0.000003 -0.000743 0.003612 0.000385 4 S -0.000009 0.000054 0.000000 -0.000902 0.001569 0.000222 5 S -0.000008 0.000003 0.000012 -0.000786 0.001110 0.001019 6 S 0.000123 0.000456 -0.000103 0.006971 -0.001519 -0.000127 7 C 0.000418 0.000029 0.000071 0.001075 0.000009 -0.000270 8 C 0.000029 0.000813 -0.000377 0.000573 0.000005 -0.000030 9 C 0.000071 -0.000377 -0.000453 0.001767 -0.000006 0.000073 10 P 0.001075 0.000573 0.001767 0.006934 0.000124 -0.000755 11 C 0.000009 0.000005 -0.000006 0.000124 -0.005984 -0.000841 12 C -0.000270 -0.000030 0.000073 -0.000755 -0.000841 0.002374 13 C -0.000338 -0.000090 0.000134 -0.003481 -0.000971 0.004135 14 C -0.000111 0.000105 0.000425 -0.002684 -0.001043 -0.000930 15 C -0.000009 0.000039 0.000061 -0.000916 -0.000567 0.002322 16 H 0.000117 0.000042 -0.000096 0.000043 0.000002 -0.000008 17 H -0.000070 -0.000028 -0.000101 0.000488 0.000003 0.000037 18 H -0.000495 0.000145 0.000025 -0.000523 0.000002 -0.000019 19 H 0.000013 0.000136 -0.000084 0.000156 0.000000 -0.000001 20 H 0.000066 0.000252 -0.000097 0.000682 -0.000001 0.000001 21 H -0.000025 0.000055 0.000120 -0.000440 -0.000001 0.000003 22 H 0.000040 -0.000004 -0.000119 0.000084 0.000001 -0.000004 23 H 0.000033 -0.000088 -0.000305 0.000595 0.000010 -0.000018 24 H 0.000030 -0.000005 -0.000176 -0.000051 0.000027 -0.000068 25 H 0.000004 0.000002 0.000001 0.000063 -0.000483 -0.001597 26 H -0.000028 -0.000016 -0.000008 -0.000159 0.000932 0.002185 27 H 0.000015 0.000038 0.000118 0.000078 -0.000428 0.000684 28 H 0.000007 -0.000006 -0.000039 0.000089 0.000879 -0.000146 29 H -0.000046 -0.000034 -0.000134 0.000235 -0.000223 -0.000138 13 14 15 16 17 18 1 Tc 0.005010 0.000054 -0.002471 -0.000119 -0.000448 0.000871 2 S 0.004133 -0.004798 0.000172 0.000009 0.000034 -0.000075 3 S -0.001737 0.001981 0.001090 0.000000 -0.000000 0.000009 4 S -0.000012 0.000024 0.000132 -0.000001 -0.000004 -0.000013 5 S 0.001728 -0.001189 0.000267 -0.000001 -0.000000 0.000006 6 S -0.005793 0.003221 -0.001164 0.000082 -0.000233 0.000633 7 C -0.000338 -0.000111 -0.000009 0.000117 -0.000070 -0.000495 8 C -0.000090 0.000105 0.000039 0.000042 -0.000028 0.000145 9 C 0.000134 0.000425 0.000061 -0.000096 -0.000101 0.000025 10 P -0.003481 -0.002684 -0.000916 0.000043 0.000488 -0.000523 11 C -0.000971 -0.001043 -0.000567 0.000002 0.000003 0.000002 12 C 0.004135 -0.000930 0.002322 -0.000008 0.000037 -0.000019 13 C -0.007086 0.007051 -0.003564 -0.000070 0.000151 -0.000026 14 C 0.007051 -0.003513 0.001398 0.000000 0.000035 -0.000012 15 C -0.003564 0.001398 0.000774 -0.000001 -0.000014 0.000004 16 H -0.000070 0.000000 -0.000001 0.000058 -0.000049 -0.000027 17 H 0.000151 0.000035 -0.000014 -0.000049 -0.000147 0.000131 18 H -0.000026 -0.000012 0.000004 -0.000027 0.000131 0.000254 19 H -0.000010 0.000007 0.000001 0.000032 -0.000012 0.000021 20 H -0.000002 0.000006 -0.000003 0.000009 -0.000001 -0.000027 21 H 0.000003 -0.000022 0.000002 -0.000008 -0.000001 -0.000008 22 H -0.000006 -0.000012 -0.000007 0.000005 0.000000 -0.000003 23 H 0.000031 0.000098 -0.000025 0.000009 0.000003 -0.000002 24 H -0.000031 -0.000145 -0.000075 0.000020 0.000007 -0.000005 25 H -0.000098 -0.000017 -0.001224 0.000000 0.000000 0.000001 26 H 0.001201 0.000181 0.000129 -0.000003 -0.000019 -0.000008 27 H -0.002733 0.000632 -0.000390 0.000016 -0.000022 0.000005 28 H 0.000277 0.000342 0.001298 0.000000 -0.000001 0.000001 29 H 0.001309 -0.000909 0.001298 -0.000004 0.000013 -0.000004 19 20 21 22 23 24 1 Tc -0.000273 -0.000647 0.000466 -0.000095 -0.000537 0.000174 2 S 0.000120 0.001099 0.000135 0.000023 -0.000208 0.000042 3 S -0.000005 -0.000056 0.000012 -0.000001 0.000001 -0.000002 4 S 0.000001 -0.000026 -0.000006 -0.000000 -0.000003 -0.000002 5 S -0.000002 -0.000057 0.000006 -0.000000 0.000000 -0.000001 6 S 0.000102 0.001021 -0.000085 0.000019 0.000025 -0.000003 7 C 0.000013 0.000066 -0.000025 0.000040 0.000033 0.000030 8 C 0.000136 0.000252 0.000055 -0.000004 -0.000088 -0.000005 9 C -0.000084 -0.000097 0.000120 -0.000119 -0.000305 -0.000176 10 P 0.000156 0.000682 -0.000440 0.000084 0.000595 -0.000051 11 C 0.000000 -0.000001 -0.000001 0.000001 0.000010 0.000027 12 C -0.000001 0.000001 0.000003 -0.000004 -0.000018 -0.000068 13 C -0.000010 -0.000002 0.000003 -0.000006 0.000031 -0.000031 14 C 0.000007 0.000006 -0.000022 -0.000012 0.000098 -0.000145 15 C 0.000001 -0.000003 0.000002 -0.000007 -0.000025 -0.000075 16 H 0.000032 0.000009 -0.000008 0.000005 0.000009 0.000020 17 H -0.000012 -0.000001 -0.000001 0.000000 0.000003 0.000007 18 H 0.000021 -0.000027 -0.000008 -0.000003 -0.000002 -0.000005 19 H 0.000165 -0.000120 -0.000042 0.000012 -0.000006 0.000002 20 H -0.000120 -0.000602 0.000060 -0.000002 -0.000000 0.000005 21 H -0.000042 0.000060 -0.000091 -0.000004 0.000007 -0.000003 22 H 0.000012 -0.000002 -0.000004 0.000063 0.000008 0.000032 23 H -0.000006 -0.000000 0.000007 0.000008 0.000030 0.000094 24 H 0.000002 0.000005 -0.000003 0.000032 0.000094 0.000220 25 H 0.000000 0.000000 -0.000000 0.000000 0.000001 0.000001 26 H -0.000001 -0.000002 0.000001 -0.000000 -0.000002 -0.000006 27 H 0.000003 0.000003 -0.000004 0.000001 0.000024 -0.000022 28 H -0.000000 -0.000002 -0.000000 -0.000001 -0.000015 -0.000004 29 H -0.000002 0.000001 0.000009 -0.000004 -0.000032 -0.000011 25 26 27 28 29 1 Tc 0.003325 -0.003843 0.003520 -0.001483 -0.000539 2 S 0.000327 -0.000373 0.000631 -0.000940 -0.002046 3 S -0.000636 0.000302 -0.000094 0.002690 0.000204 4 S -0.000735 0.000099 -0.000007 0.000085 -0.000006 5 S -0.000004 0.003009 0.000040 0.000262 -0.000072 6 S 0.000085 -0.000310 -0.001168 -0.000302 0.000444 7 C 0.000004 -0.000028 0.000015 0.000007 -0.000046 8 C 0.000002 -0.000016 0.000038 -0.000006 -0.000034 9 C 0.000001 -0.000008 0.000118 -0.000039 -0.000134 10 P 0.000063 -0.000159 0.000078 0.000089 0.000235 11 C -0.000483 0.000932 -0.000428 0.000879 -0.000223 12 C -0.001597 0.002185 0.000684 -0.000146 -0.000138 13 C -0.000098 0.001201 -0.002733 0.000277 0.001309 14 C -0.000017 0.000181 0.000632 0.000342 -0.000909 15 C -0.001224 0.000129 -0.000390 0.001298 0.001298 16 H 0.000000 -0.000003 0.000016 0.000000 -0.000004 17 H 0.000000 -0.000019 -0.000022 -0.000001 0.000013 18 H 0.000001 -0.000008 0.000005 0.000001 -0.000004 19 H 0.000000 -0.000001 0.000003 -0.000000 -0.000002 20 H 0.000000 -0.000002 0.000003 -0.000002 0.000001 21 H -0.000000 0.000001 -0.000004 -0.000000 0.000009 22 H 0.000000 -0.000000 0.000001 -0.000001 -0.000004 23 H 0.000001 -0.000002 0.000024 -0.000015 -0.000032 24 H 0.000001 -0.000006 -0.000022 -0.000004 -0.000011 25 H 0.000307 -0.000339 -0.000003 -0.000199 0.000002 26 H -0.000339 -0.000019 0.000299 -0.000081 -0.000012 27 H -0.000003 0.000299 -0.002395 0.000027 0.000665 28 H -0.000199 -0.000081 0.000027 -0.000763 0.000097 29 H 0.000002 -0.000012 0.000665 0.000097 -0.001816 Mulliken charges and spin densities: 1 2 1 Tc 14.718941 0.074733 2 S 0.010237 -0.805956 3 S 0.142168 -0.243412 4 S 0.020280 0.004327 5 S 0.140619 -0.248429 6 S 0.026668 -0.802253 7 C 6.009404 -0.000448 8 C 5.990524 0.000114 9 C 5.997027 -0.000971 10 P 14.914916 0.021386 11 C 5.985920 0.000530 12 C 6.033539 -0.001593 13 C 5.990439 -0.000887 14 C 5.995683 0.000175 15 C 6.032455 -0.001442 16 H 1.000497 0.000059 17 H 0.998523 -0.000248 18 H 0.998954 0.000861 19 H 0.999820 0.000216 20 H 1.004770 0.001557 21 H 1.001615 0.000140 22 H 0.999970 0.000026 23 H 0.999689 -0.000272 24 H 0.999909 0.000044 25 H 1.015630 -0.001216 26 H 0.982467 0.003107 27 H 1.000862 -0.000467 28 H 0.991061 0.002070 29 H 0.997410 -0.001755 Sum of Mulliken charges = 92.00000 -2.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 Tc 14.718941 0.074733 2 S 0.010237 -0.805956 3 S 0.142168 -0.243412 4 S 0.020280 0.004327 5 S 0.140619 -0.248429 6 S 0.026668 -0.802253 7 C 9.007378 0.000224 8 C 8.996730 0.002028 9 C 8.996596 -0.001172 10 P 14.914916 0.021386 11 C 7.001550 -0.000685 12 C 7.016006 0.001514 13 C 6.991302 -0.001354 14 C 6.993093 -0.001580 15 C 7.023515 0.000629 Mulliken charges and spin densities condensed to fragments: 1 91.660027 0.095723 2 0.339973 -2.095723 Electronic spatial extent (au): = 2202.0402 Charge= 92.0000 electrons Dipole moment (field-independent basis, Debye): X= 613.7162 Y= 189.9625 Z= 12.5948 Tot= 642.5667 Quadrupole moment (field-independent basis, Debye-Ang): XX= 1691.3415 YY= 1319.3638 ZZ= 319.6920 XY= -446.1264 XZ= -30.7924 YZ= 67.5072 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 581.2091 YY= 209.2314 ZZ= -790.4404 XY= -446.1264 XZ= -30.7924 YZ= 67.5072 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 5247.8918 YYY= 1327.3576 ZZZ= 181.6025 XYY= 1372.8286 XXY= -939.3284 XXZ= -105.2477 XZZ= 781.6044 YZZ= 176.1658 YYZ= -43.7623 XYZ= -21.7545 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= 14225.0150 YYYY= 7282.1126 ZZZZ= -137.5907 XXXY= -3666.4041 XXXZ= -605.5628 YYYX= -1971.9506 YYYZ= 660.6254 ZZZX= 285.2818 ZZZY= 69.2635 XXYY= 3261.2843 XXZZ= 1617.6135 YYZZ= 1193.1405 XXYZ= -195.9933 YYXZ= -194.4470 ZZXY= -639.2499 N-N= 4.890070873566D+02 E-N=-5.711667369469D+03 KE= 1.989904961941D+03 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.019756 0.015021 -0.034777 2 Atom 1.358726 -0.888756 -0.469970 3 Atom 0.621614 -0.584665 -0.036949 4 Atom 0.011684 -0.064610 0.052926 5 Atom 0.646781 -0.816723 0.169942 6 Atom 1.417893 -1.571964 0.154072 7 Atom -0.005979 0.003440 0.002539 8 Atom -0.002364 0.000844 0.001520 9 Atom -0.004361 0.002696 0.001665 10 Atom -0.007495 0.006441 0.001054 11 Atom 0.004236 -0.006481 0.002244 12 Atom 0.005239 -0.008919 0.003680 13 Atom 0.001284 -0.003644 0.002360 14 Atom 0.001561 -0.004135 0.002574 15 Atom 0.005327 -0.009203 0.003875 16 Atom -0.003101 0.001710 0.001392 17 Atom -0.005261 0.003252 0.002009 18 Atom -0.007168 0.003497 0.003671 19 Atom -0.001788 0.000511 0.001277 20 Atom 0.001063 -0.001626 0.000564 21 Atom -0.003913 0.000856 0.003057 22 Atom -0.002809 0.001664 0.001145 23 Atom -0.004549 0.002781 0.001768 24 Atom -0.003144 0.001713 0.001431 25 Atom 0.003756 -0.005802 0.002046 26 Atom 0.004704 -0.007109 0.002405 27 Atom -0.001026 -0.000919 0.001945 28 Atom 0.004518 -0.008552 0.004034 29 Atom -0.000771 -0.001521 0.002292 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom -0.009777 -0.001724 0.004082 2 Atom -0.754472 -0.661460 -1.926611 3 Atom -0.394895 -0.224305 -0.665170 4 Atom 0.043280 0.004749 -0.010730 5 Atom -0.395336 0.129531 0.550751 6 Atom -0.754233 0.442675 1.755785 7 Atom 0.001670 -0.001089 0.000538 8 Atom 0.004918 0.000122 -0.000107 9 Atom -0.000587 0.000521 0.000090 10 Atom 0.002693 0.000475 0.000421 11 Atom 0.000555 0.000006 -0.000707 12 Atom -0.002144 -0.000489 -0.001586 13 Atom -0.005464 -0.000542 -0.000483 14 Atom -0.005564 -0.000283 -0.000344 15 Atom -0.001573 0.000136 -0.000548 16 Atom 0.001241 -0.000636 0.000268 17 Atom -0.000731 -0.002258 0.000057 18 Atom 0.004103 -0.002205 0.001434 19 Atom 0.002750 0.000367 -0.000198 20 Atom 0.005257 0.000339 -0.000185 21 Atom 0.006227 0.000748 -0.000913 22 Atom 0.000214 0.000414 0.000003 23 Atom -0.001090 0.001625 0.000194 24 Atom -0.001591 0.000151 0.000102 25 Atom 0.001926 0.000175 -0.000627 26 Atom -0.000748 -0.000513 -0.005342 27 Atom -0.004209 -0.001000 -0.000835 28 Atom 0.000225 0.000194 0.003361 29 Atom -0.004575 0.000594 0.000691 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa -2.8561 -117.099 -41.784 -39.060 0.2316 0.7245 0.6492 2 S(33) Bbb 1.2582 51.586 18.407 17.207 -0.0319 -0.6613 0.7494 Bcc 1.5979 65.513 23.377 21.853 0.9723 -0.1943 -0.1300 Baa -1.1462 -46.995 -16.769 -15.676 0.2483 0.8078 0.5346 3 S(33) Bbb 0.4054 16.622 5.931 5.545 -0.0925 -0.5296 0.8432 Bcc 0.7408 30.372 10.838 10.131 0.9643 -0.2588 -0.0568 Baa -0.0852 -3.491 -1.246 -1.165 -0.4100 0.9081 0.0847 4 S(33) Bbb 0.0312 1.280 0.457 0.427 0.9115 0.4112 0.0039 Bcc 0.0539 2.211 0.789 0.737 0.0313 -0.0788 0.9964 Baa -1.1577 -47.466 -16.937 -15.833 0.2236 0.8924 -0.3920 5 S(33) Bbb 0.4108 16.841 6.009 5.617 0.1211 0.3736 0.9196 Bcc 0.7470 30.625 10.928 10.216 0.9671 -0.2531 -0.0245 Baa -2.8447 -116.629 -41.616 -38.903 0.2009 0.8321 -0.5169 6 S(33) Bbb 1.2460 51.087 18.229 17.041 0.0623 0.5157 0.8545 Bcc 1.5986 65.543 23.387 21.863 0.9776 -0.2039 0.0518 Baa -0.0064 -0.861 -0.307 -0.287 0.9765 -0.1725 0.1291 7 C(13) Bbb 0.0026 0.347 0.124 0.116 -0.1718 -0.2624 0.9495 Bcc 0.0038 0.514 0.183 0.171 0.1299 0.9494 0.2858 Baa -0.0059 -0.797 -0.284 -0.266 0.8091 -0.5872 -0.0217 8 C(13) Bbb 0.0015 0.204 0.073 0.068 0.0206 -0.0086 0.9998 Bcc 0.0044 0.592 0.211 0.198 0.5873 0.8094 -0.0052 Baa -0.0045 -0.598 -0.213 -0.199 0.9929 0.0826 -0.0858 9 C(13) Bbb 0.0017 0.229 0.082 0.076 0.0891 -0.0377 0.9953 Bcc 0.0027 0.369 0.132 0.123 -0.0789 0.9959 0.0448 Baa -0.0080 -1.733 -0.618 -0.578 0.9824 -0.1818 -0.0430 10 P(31) Bbb 0.0010 0.222 0.079 0.074 0.0268 -0.0907 0.9955 Bcc 0.0070 1.510 0.539 0.504 0.1849 0.9791 0.0843 Baa -0.0066 -0.881 -0.314 -0.294 -0.0512 0.9955 0.0800 11 C(13) Bbb 0.0023 0.309 0.110 0.103 0.0194 -0.0791 0.9967 Bcc 0.0043 0.572 0.204 0.191 0.9985 0.0526 -0.0152 Baa -0.0094 -1.267 -0.452 -0.423 0.1474 0.9813 0.1241 12 C(13) Bbb 0.0038 0.516 0.184 0.172 0.1247 -0.1429 0.9818 Bcc 0.0056 0.751 0.268 0.250 0.9812 -0.1293 -0.1435 Baa -0.0072 -0.969 -0.346 -0.323 0.5422 0.8371 0.0729 13 C(13) Bbb 0.0024 0.321 0.115 0.107 0.0272 -0.1042 0.9942 Bcc 0.0048 0.648 0.231 0.216 0.8398 -0.5370 -0.0793 Baa -0.0076 -1.014 -0.362 -0.338 0.5214 0.8522 0.0435 14 C(13) Bbb 0.0026 0.348 0.124 0.116 -0.0005 -0.0507 0.9987 Bcc 0.0050 0.666 0.238 0.222 0.8533 -0.5207 -0.0260 Baa -0.0094 -1.260 -0.450 -0.420 0.1058 0.9936 0.0399 15 C(13) Bbb 0.0039 0.520 0.185 0.173 -0.1219 -0.0269 0.9922 Bcc 0.0055 0.741 0.264 0.247 0.9869 -0.1098 0.1183 Baa -0.0035 -1.866 -0.666 -0.623 0.9618 -0.2364 0.1380 16 H(1) Bbb 0.0015 0.782 0.279 0.261 -0.1783 -0.1583 0.9712 Bcc 0.0020 1.085 0.387 0.362 0.2077 0.9587 0.1944 Baa -0.0060 -3.178 -1.134 -1.060 0.9596 0.0745 0.2714 17 H(1) Bbb 0.0026 1.369 0.488 0.457 -0.2340 -0.3248 0.9164 Bcc 0.0034 1.809 0.646 0.604 -0.1564 0.9429 0.2942 Baa -0.0091 -4.842 -1.728 -1.615 0.9253 -0.3244 0.1965 18 H(1) Bbb 0.0038 2.032 0.725 0.678 -0.3275 -0.4220 0.8454 Bcc 0.0053 2.809 1.002 0.937 0.1913 0.8466 0.4967 Baa -0.0037 -1.950 -0.696 -0.650 0.8297 -0.5518 -0.0840 19 H(1) Bbb 0.0013 0.699 0.250 0.233 0.0491 -0.0778 0.9958 Bcc 0.0023 1.250 0.446 0.417 0.5560 0.8303 0.0375 Baa -0.0057 -3.056 -1.090 -1.019 -0.6129 0.7881 0.0561 20 H(1) Bbb 0.0006 0.309 0.110 0.103 0.0078 -0.0650 0.9979 Bcc 0.0051 2.747 0.980 0.916 0.7901 0.6121 0.0337 Baa -0.0083 -4.434 -1.582 -1.479 0.8184 -0.5659 -0.0993 21 H(1) Bbb 0.0031 1.663 0.593 0.555 0.1716 0.0757 0.9823 Bcc 0.0052 2.770 0.989 0.924 0.5484 0.8210 -0.1591 Baa -0.0029 -1.527 -0.545 -0.509 0.9936 -0.0470 -0.1025 22 H(1) Bbb 0.0012 0.633 0.226 0.211 0.1001 -0.0518 0.9936 Bcc 0.0017 0.894 0.319 0.298 0.0520 0.9975 0.0468 Baa -0.0051 -2.720 -0.971 -0.907 0.9628 0.1390 -0.2318 23 H(1) Bbb 0.0022 1.150 0.410 0.384 0.2217 0.0845 0.9715 Bcc 0.0029 1.569 0.560 0.524 -0.1546 0.9867 -0.0506 Baa -0.0036 -1.934 -0.690 -0.645 0.9576 0.2861 -0.0344 24 H(1) Bbb 0.0014 0.765 0.273 0.255 0.0533 -0.0588 0.9968 Bcc 0.0022 1.169 0.417 0.390 -0.2832 0.9564 0.0715 Baa -0.0062 -3.322 -1.185 -1.108 -0.1902 0.9786 0.0782 25 H(1) Bbb 0.0021 1.118 0.399 0.373 -0.0102 -0.0817 0.9966 Bcc 0.0041 2.204 0.786 0.735 0.9817 0.1888 0.0256 Baa -0.0096 -5.101 -1.820 -1.702 0.0624 0.9103 0.4091 26 H(1) Bbb 0.0046 2.464 0.879 0.822 0.7498 -0.3133 0.5828 Bcc 0.0049 2.638 0.941 0.880 -0.6587 -0.2704 0.7021 Baa -0.0054 -2.887 -1.030 -0.963 0.7023 0.6903 0.1738 27 H(1) Bbb 0.0022 1.154 0.412 0.385 -0.0534 -0.1923 0.9799 Bcc 0.0032 1.733 0.618 0.578 0.7099 -0.6974 -0.0982 Baa -0.0094 -5.013 -1.789 -1.672 -0.0123 0.9701 -0.2426 28 H(1) Bbb 0.0044 2.346 0.837 0.783 0.8915 -0.0993 -0.4421 Bcc 0.0050 2.667 0.952 0.890 0.4529 0.2217 0.8636 Baa -0.0058 -3.115 -1.112 -1.039 0.6731 0.7311 -0.1113 29 H(1) Bbb 0.0024 1.277 0.456 0.426 0.0971 0.0618 0.9934 Bcc 0.0034 1.838 0.656 0.613 0.7331 -0.6795 -0.0294 --------------------------------------------------------------------------------- Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EIn" output file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EOu" message file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 430 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 430 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 430 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 690 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1290 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 29 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 68 to matrix element file. Write BOND TYPES from file 0 offset 0 length 68 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 116 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 29 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 29 to matrix element file. Write INTEGER FRAGMENT from file 0 offset 0 length 29 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 29 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 29 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 29 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 29 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 29 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 87 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 87 to matrix element file. Write ELECTRONS PER FRAGMENT from file 0 offset 0 length 8 to matrix element file. Write BASIS FUNCTIONS PER FRAGMENT from file 0 offset 0 length 96 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 958420 length 958420 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 958420 to matrix element file. Array ORTHOGONAL BASIS on file 10685 does not exist. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2875260 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1915456 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1915456 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 958420 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 958420 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 958420 to matrix element file. Write FRAGMENT DENSITY MATRICES from file 10774 offset 0 length 3833680 to matrix element file. Write FRAGMENT OPERATOR MATRICES from file 10823 offset 0 length 26835792 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write INTEGER PARAMETERS from file 0 offset 0 length 4 to matrix element file. No 2e integrals to process. Perform NBO analysis...executing G16NBO... Natural Energy Decomposition Analysis (Summary): Component Energy(wfn) Energy(wfn) (kcal/mol) ------------------------------------------------------------------------------ C8H14PS5Tc -2726.2583522(scf) -2725.3520822(loc) CT = -568.693 ES = -240.392 POL = -135.007 XC = -179.875 1. C8H14PTc -734.7378855(def) -735.1007217(rel) DEF(SE) = 227.683(-42.573) 2. S5 -1989.7293100(def) -1990.9178690(rel) DEF(SE) = 745.832(107.839) --------- E = -150.453 Electrical (ES+POL+SE) : -310.134 Charge Transfer (CT) : -568.693 Core (XC+DEF-SE) : 728.374 ------------ Total Interaction (E) : -150.453 Dipole moments: 1. C8H14PTc Dipole (def): 1.6633(x), -3.8024(y), -0.2440(z); 4.1574(tot) Debye Dipole (rel): 1.3902(x), -1.4480(y), -0.0688(z); 2.0085(tot) Debye Dipole (ind): 0.2731(x), -2.3544(y), -0.1752(z); 2.3766(tot) Debye 2. S5 Dipole (def): -4.6192(x), 0.7275(y), 0.0545(z); 4.6765(tot) Debye Dipole (rel): -1.0742(x), 0.0890(y), 0.0474(z); 1.0790(tot) Debye Dipole (ind): -3.5450(x), 0.6385(y), 0.0071(z); 3.6020(tot) Debye Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1881179.pbs-7/Gau-3605979.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CMPSCO NAtoms= 29 NBasis= 1384 NBsUse= 1384 ICharg= 0 Multip= 1 NE= 172 Len12L=8 Len4L=8 IOpCl= 1 ICGU=112 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 Recovered energy= -1990.91786902 dipole= 241.454545865527 74.736986824826 4.955188537544 Unable to Open any file for archive entry. 1\1\GINC-CX3-5-26\SP\UMN15L\def2QZVPP\C8H14P1S5Tc1\RZEPA\11-Mar-2026\0 \\# NEDA=2 pop=(savenbos,nbo7read) def2qzvpp mn15l\\CMPSCO\\0,1\Tc,0,0 .315991,0.424239,0.010944\S,0,-0.410636,-0.559179,-1.910285\S,0,-2.419 798,-0.114408,-1.666156\S,0,-3.006314,-1.261805,-0.06578\S,0,-2.365338 ,-0.407897,1.691683\S,0,-0.350641,-0.86979,1.768117\C,0,2.9703,-1.2697 4,1.547265\C,0,2.139041,-2.527511,-0.848538\C,0,3.618668,-0.092653,-0. 938517\P,0,2.214966,-0.87735,-0.071492\C,0,-0.924411,2.436303,0.255264 \C,0,-0.001121,2.272121,1.330722\C,0,1.330556,2.224134,0.804336\C,0,1. 226443,2.344542,-0.629564\C,0,-0.164598,2.457391,-0.949321\H,0,3.93841 2,-1.780594,1.415223\H,0,3.121974,-0.338311,2.116002\H,0,2.298302,-1.9 22556,2.126217\H,0,3.091713,-3.066806,-0.720198\H,0,1.322877,-3.103819 ,-0.382532\H,0,1.919258,-2.428971,-1.922635\H,0,4.501162,-0.753497,-0. 933069\H,0,3.336139,0.134136,-1.978369\H,0,3.876923,0.852778,-0.433806 \H,0,-2.00725,2.492947,0.336746\H,0,-0.270677,2.154541,2.379753\H,0,2. 255834,2.149577,1.375176\H,0,-0.57951,2.506667,-1.955526\H,0,2.057114, 2.363636,-1.332355\\Version=ES64L-G16RevC.01\State=1-A\HF=-1990.917869 \S2=2.014365\S2-1=0.\S2A=2.127234\RMSD=1.707e-09\Dipole=241.4545459,74 .7369868,4.9551885\Quadrupole=432.1146905,155.5583978,-587.6730883,-33 1.6840493,-22.8933675,50.1899662\PG=C01 [X(C8H14P1S5Tc1)]\\@ The archive entry for this job was punched. LAWS OF PROGRAMMING DEFINITION: A WORKING PROGRAM IS ONE THAT HAS ONLY UNOBSERVED BUGS. Writing WrtUnf raw file "Rawbinaryarray.baf" Gaussian matrix elements Version 2 NLab=11 Len12L=4 Len4L=4 Write SHELL TO ATOM MAP from file 0 offset 0 length 430 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 430 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 430 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 690 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 690 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1290 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 29 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 68 to matrix element file. Write BOND TYPES from file 0 offset 0 length 68 to matrix element file. Write ONIOM CHARGE/MULT from file 0 offset 0 length 32 to matrix element file. Write ONIOM ATOM LAYERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 29 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 29 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 116 to matrix element file. Write SYMINF INTS from file 0 offset 0 length 26 to matrix element file. Write ROTTR TO SO from file 0 offset 0 length 12 to matrix element file. Write GAUSSIAN SCALARS from file 501 offset 0 to matrix element file. Write OPTIMIZATION FLAGS from file 0 offset 0 length 29 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 29 to matrix element file. Write INTEGER FRAGMENT from file 0 offset 0 length 29 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 29 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 29 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 29 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 29 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 29 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 87 to matrix element file. Array NUCLEAR FORCE CONSTANTS on file 10585 does not exist. Write ELECTRIC DIPOLE MOMENT from file 0 offset 0 length 3 to matrix element file. Write NON-ADIABATIC COUPLING from file 10810 offset 0 length 87 to matrix element file. Write ELECTRONS PER FRAGMENT from file 0 offset 0 length 8 to matrix element file. Write BASIS FUNCTIONS PER FRAGMENT from file 0 offset 0 length 96 to matrix element file. Write FINITE EM FIELD from file 10521 offset 0 length 35 to matrix element file. Write OVERLAP from file 10514 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 958420 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 958420 length 958420 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 958420 to matrix element file. Array ORTHOGONAL BASIS on file 10685 does not exist. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2875260 to matrix element file. Array DIP VEL INTEGRALS on file 10572 does not exist. Array R X DEL INTEGRALS on file 10572 does not exist. Write ALPHA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1384 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1915456 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1915456 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 958420 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 958420 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 958420 to matrix element file. Write FRAGMENT DENSITY MATRICES from file 10774 offset 0 length 3833680 to matrix element file. Write FRAGMENT OPERATOR MATRICES from file 10823 offset 0 length 26835792 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 958420 to matrix element file. No 2e integrals to process. Job cpu time: 28 days 10 hours 33 minutes 29.0 seconds. Elapsed time: 0 days 5 hours 36 minutes 58.2 seconds. File lengths (MBytes): RWF= 2488 Int= 0 D2E= 0 Chk= 448 Scr= 16 Normal termination of Gaussian 16 at Wed Mar 11 03:31:29 2026.