Entering Gaussian System, Link 0=g16 Input=CPMOTS4-2047.484171=-5,274.62601-2-3-2.gjf Output=CPMOTS4-2047.484171=-5,274.62601-2-3-2.log Initial command: /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27064.inp" -scrdir="/rds/general/user/rzepa/ephemeral/1664152.pbs-7/" Entering Link 1 = /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe PID= 27065. 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 6-Feb-2026 ****************************************** %Chk=checkpoint.chk %NProcShared=128 Will use up to 128 processors via shared memory. %Mem=460800MB ---------------------------------------- # def2Qzvpp mn15l pop(savenbos,nbo7read) ---------------------------------------- 1/38=1,163=2,172=1/1; 2/12=2,17=6,18=5,40=1/2; 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=2,73=1,113=1,114=1,124=2103/1,12; 99/5=1,9=1/99; ------ CPMOTS ------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C -0.31661 2.08203 -1.13798 C -1.22664 -1.58587 1.56592 C -0.40518 2.37899 0.24028 C -1.67453 1.94164 0.72518 C -2.39147 1.41701 -0.40556 C -1.53515 1.46025 -1.55753 C -0.46594 -2.1809 0.5038 C -1.26266 -2.13845 -0.69632 C -2.46908 -1.47863 -0.38208 C -2.44443 -1.12388 1.00991 H 0.56542 2.23176 -1.75373 H -0.90978 -1.46802 2.59934 H 0.39384 2.80584 0.83975 H -2.04555 2.03817 1.74266 H -3.4135 1.04709 -0.38795 H -1.78436 1.14133 -2.5667 H 0.54473 -2.57549 0.58644 H -0.97097 -2.51474 -1.67196 H -3.25716 -1.22639 -1.08955 H -3.21265 -0.56079 1.53714 Mo -0.673 0.00857 -0.01204 S 1.11418 -0.5457 -1.63841 S 2.9036 -0.83348 -0.61381 S 2.83573 0.74786 0.65474 S 1.11563 0.26184 1.68975 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.316605 2.082034 -1.137982 2 6 0 -1.226640 -1.585874 1.565922 3 6 0 -0.405181 2.378985 0.240283 4 6 0 -1.674533 1.941641 0.725184 5 6 0 -2.391474 1.417005 -0.405559 6 6 0 -1.535154 1.460248 -1.557526 7 6 0 -0.465940 -2.180902 0.503802 8 6 0 -1.262661 -2.138449 -0.696315 9 6 0 -2.469084 -1.478634 -0.382079 10 6 0 -2.444433 -1.123878 1.009908 11 1 0 0.565415 2.231760 -1.753728 12 1 0 -0.909778 -1.468018 2.599343 13 1 0 0.393836 2.805837 0.839754 14 1 0 -2.045548 2.038170 1.742658 15 1 0 -3.413495 1.047094 -0.387948 16 1 0 -1.784359 1.141325 -2.566699 17 1 0 0.544730 -2.575492 0.586444 18 1 0 -0.970971 -2.514740 -1.671964 19 1 0 -3.257158 -1.226392 -1.089549 20 1 0 -3.212653 -0.560791 1.537136 21 42 0 -0.672999 0.008570 -0.012038 22 16 0 1.114175 -0.545698 -1.638411 23 16 0 2.903601 -0.833477 -0.613811 24 16 0 2.835727 0.747855 0.654743 25 16 0 1.115632 0.261835 1.689749 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 4.646806 0.000000 3 C 1.412671 4.260542 0.000000 4 C 2.309776 3.653876 1.427464 0.000000 5 C 2.298649 3.776355 2.299538 1.437994 0.000000 6 C 1.430908 4.373782 2.313662 2.337077 1.436030 7 C 4.570599 1.435556 4.567899 4.301752 4.180856 8 C 4.347708 2.329024 4.692515 4.340211 3.741659 9 C 4.228819 2.312980 4.419078 3.681796 2.896774 10 C 4.406694 1.416196 4.125642 3.173519 2.909027 11 H 1.086057 5.367110 2.222569 3.353586 3.350310 12 H 5.188672 1.087313 4.540839 3.965236 4.421337 13 H 2.222624 4.737129 1.086276 2.244574 3.352255 14 H 3.359949 3.719616 2.250353 1.087301 2.262818 15 H 3.350281 3.941125 3.349412 2.250170 1.087047 16 H 2.253989 4.982692 3.363493 3.389552 2.261662 17 H 5.040644 2.253103 5.056580 5.034766 5.054245 18 H 4.673720 3.378175 5.284444 5.108879 4.368092 19 H 4.426610 3.362106 4.785496 3.979245 2.864402 20 H 4.746354 2.235145 4.266850 3.047498 2.891380 21 Mo 2.386214 2.310569 2.398804 2.298550 2.256481 22 S 3.033568 4.102332 3.793640 4.421575 4.202583 23 S 4.375464 4.730352 4.690141 5.518469 5.757244 24 S 3.864077 4.772773 3.651828 4.666105 5.375466 25 S 3.655200 2.985900 2.982641 3.396639 4.245530 6 7 8 9 10 6 C 0.000000 7 C 4.318595 0.000000 8 C 3.710331 1.441127 0.000000 9 C 3.300141 2.300120 1.410516 0.000000 10 C 3.754492 2.299539 2.310224 1.436693 0.000000 11 H 2.246356 5.062778 4.853732 4.985642 5.287455 12 H 5.123026 2.257540 3.381622 3.364584 2.236046 13 H 3.358357 5.071454 5.435941 5.295836 4.850503 14 H 3.389057 4.672311 4.899556 4.130593 3.270257 15 H 2.250950 4.461307 3.856016 2.696525 2.757934 16 H 1.087311 4.712048 3.811486 3.479310 4.284736 17 H 5.020928 1.088111 2.259013 3.350255 3.349866 18 H 4.016457 2.258420 1.085619 2.231964 3.361253 19 H 3.225265 3.352723 2.228116 1.088669 2.253608 20 H 4.059007 3.352159 3.358538 2.253601 1.088668 21 Mo 2.288933 2.258927 2.329298 2.361065 2.337689 22 S 3.324050 3.124057 3.012267 3.910049 4.473430 23 S 5.084714 3.797159 4.366635 5.416241 5.596630 24 S 4.950378 4.416040 5.191618 5.845791 5.613343 25 S 4.359777 3.142420 4.136537 4.491313 3.880264 11 12 13 14 15 11 H 0.000000 12 H 5.900320 0.000000 13 H 2.661795 4.802229 0.000000 14 H 4.367988 3.783812 2.712037 0.000000 15 H 4.370413 4.638782 4.369920 2.719006 0.000000 16 H 2.715034 5.853337 4.372534 4.409434 2.722117 17 H 5.346635 2.719164 5.389400 5.415925 5.453450 18 H 4.989632 4.398117 6.039865 5.791662 4.505694 19 H 5.197308 4.379098 5.771554 4.488514 2.384413 20 H 5.736020 2.693432 4.982699 2.856391 2.516263 21 Mo 3.083785 3.009267 3.112618 3.013656 2.954684 22 S 2.833498 4.785981 4.230009 5.300175 4.959883 23 S 4.020224 5.026814 4.653641 6.188164 6.594942 24 S 3.627261 4.766589 3.198805 5.164815 6.342675 25 S 4.005106 2.814612 2.777666 3.626462 5.044447 16 17 18 19 20 16 H 0.000000 17 H 5.402008 0.000000 18 H 3.850839 2.720560 0.000000 19 H 3.155502 4.368452 2.688066 0.000000 20 H 4.666764 4.368153 4.375086 2.710070 0.000000 21 Mo 3.007415 2.918633 3.035002 3.060072 3.028854 22 S 3.479837 3.065014 2.868115 4.457931 5.367100 23 S 5.448907 3.168517 4.354152 6.191580 6.489183 24 S 5.646034 4.037074 5.527119 6.638031 6.250926 25 S 5.225017 3.097359 4.833673 5.390789 4.408407 21 22 23 24 25 21 Mo 0.000000 22 S 2.479172 0.000000 23 S 3.723337 2.081986 0.000000 24 S 3.647231 3.145723 2.028410 0.000000 25 S 2.481818 3.424728 3.114953 2.065473 0.000000 Stoichiometry C10H10MoS4 Framework group C1[X(C10H10MoS4)] Deg. of freedom 69 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 6 0 -0.316604 2.082034 -1.137982 2 6 0 -1.226640 -1.585874 1.565922 3 6 0 -0.405180 2.378985 0.240283 4 6 0 -1.674532 1.941641 0.725184 5 6 0 -2.391474 1.417006 -0.405559 6 6 0 -1.535154 1.460248 -1.557526 7 6 0 -0.465940 -2.180902 0.503802 8 6 0 -1.262661 -2.138449 -0.696315 9 6 0 -2.469084 -1.478633 -0.382079 10 6 0 -2.444433 -1.123877 1.009908 11 1 0 0.565416 2.231760 -1.753728 12 1 0 -0.909778 -1.468018 2.599343 13 1 0 0.393837 2.805837 0.839754 14 1 0 -2.045547 2.038171 1.742658 15 1 0 -3.413495 1.047095 -0.387948 16 1 0 -1.784359 1.141326 -2.566699 17 1 0 0.544729 -2.575492 0.586444 18 1 0 -0.970972 -2.514740 -1.671964 19 1 0 -3.257158 -1.226391 -1.089549 20 1 0 -3.212653 -0.560790 1.537136 21 42 0 -0.672999 0.008570 -0.012038 22 16 0 1.114175 -0.545698 -1.638411 23 16 0 2.903601 -0.833478 -0.613811 24 16 0 2.835727 0.747854 0.654743 25 16 0 1.115632 0.261835 1.689749 --------------------------------------------------------------------- Rotational constants (GHZ): 0.6142091 0.3750181 0.3372632 Standard basis: def2QZVPP (5D, 7F) There are 1520 symmetry adapted cartesian basis functions of A symmetry. There are 1231 symmetry adapted basis functions of A symmetry. 1231 basis functions, 1919 primitive gaussians, 1520 cartesian basis functions 74 alpha electrons 74 beta electrons nuclear repulsion energy 1724.1741224907 Hartrees. NAtoms= 25 NActive= 25 NUniq= 25 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= 72010 NPrTT= 188964 LenC2= 64853 LenP2D= 126791. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1231 RedAO= T EigKep= 1.05D-05 NBF= 1231 NBsUse= 1231 1.00D-06 EigRej= -1.00D+00 NBFU= 1231 Defaulting to unpruned grid for atomic number 42. ExpMin= 2.10D-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 42. 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. 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 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. Defaulting to unpruned grid for atomic number 42. EnCoef did 100 forward-backward iterations EnCoef did 14 forward-backward iterations EnCoef did 3 forward-backward iterations EnCoef did 2 forward-backward iterations SCF Done: E(RMN15L) = -2047.94286243 A.U. after 19 cycles NFock= 19 Conv=0.30D-08 -V/T= 2.0232 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: 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) 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) The electronic state is 1-A. Alpha occ. eigenvalues -- -88.64029 -88.63674 -88.60419 -88.59913 -10.24089 Alpha occ. eigenvalues -- -10.23979 -10.23638 -10.23146 -10.22987 -10.22962 Alpha occ. eigenvalues -- -10.22856 -10.22676 -10.22515 -10.22040 -7.94119 Alpha occ. eigenvalues -- -7.93773 -7.90745 -7.90242 -5.88161 -5.87818 Alpha occ. eigenvalues -- -5.87728 -5.87392 -5.86909 -5.86548 -5.84826 Alpha occ. eigenvalues -- -5.84349 -5.84171 -5.83644 -5.83639 -5.83131 Alpha occ. eigenvalues -- -2.60492 -1.60971 -1.59161 -1.57555 -0.92971 Alpha occ. eigenvalues -- -0.91544 -0.78789 -0.75189 -0.75057 -0.74379 Alpha occ. eigenvalues -- -0.73978 -0.69342 -0.61398 -0.57323 -0.57203 Alpha occ. eigenvalues -- -0.56049 -0.55792 -0.54791 -0.53819 -0.52050 Alpha occ. eigenvalues -- -0.43679 -0.41843 -0.41534 -0.41239 -0.40975 Alpha occ. eigenvalues -- -0.39667 -0.39333 -0.38994 -0.38656 -0.38509 Alpha occ. eigenvalues -- -0.37199 -0.34519 -0.33992 -0.30684 -0.30191 Alpha occ. eigenvalues -- -0.30039 -0.28327 -0.27502 -0.25527 -0.24575 Alpha occ. eigenvalues -- -0.21307 -0.18689 -0.17899 -0.16995 Alpha virt. eigenvalues -- -0.07885 -0.07008 -0.05740 -0.05171 -0.03074 Alpha virt. eigenvalues -- -0.02177 -0.01666 -0.00979 -0.00570 -0.00141 Alpha virt. eigenvalues -- 0.00460 0.01073 0.01550 0.02141 0.02198 Alpha virt. eigenvalues -- 0.03177 0.03816 0.04249 0.05530 0.05815 Alpha virt. eigenvalues -- 0.06759 0.08414 0.08794 0.08990 0.09922 Alpha virt. eigenvalues -- 0.10301 0.10773 0.11067 0.11643 0.11868 Alpha virt. eigenvalues -- 0.12315 0.13045 0.13469 0.13652 0.14194 Alpha virt. eigenvalues -- 0.14581 0.14973 0.15296 0.15856 0.15884 Alpha virt. eigenvalues -- 0.16100 0.16326 0.17671 0.17849 0.18259 Alpha virt. eigenvalues -- 0.18744 0.19515 0.19853 0.20286 0.21021 Alpha virt. eigenvalues -- 0.21463 0.21911 0.22152 0.22327 0.23014 Alpha virt. eigenvalues -- 0.23625 0.24042 0.24339 0.25167 0.25219 Alpha virt. eigenvalues -- 0.26001 0.26342 0.26742 0.27323 0.27919 Alpha virt. eigenvalues -- 0.28012 0.28489 0.29064 0.29309 0.29562 Alpha virt. eigenvalues -- 0.30136 0.30883 0.31307 0.32041 0.32340 Alpha virt. eigenvalues -- 0.32627 0.32980 0.33788 0.34052 0.34386 Alpha virt. eigenvalues -- 0.35524 0.35715 0.35915 0.36715 0.37091 Alpha virt. eigenvalues -- 0.37704 0.38165 0.39434 0.40120 0.40450 Alpha virt. eigenvalues -- 0.41104 0.41400 0.41675 0.42453 0.42656 Alpha virt. eigenvalues -- 0.43219 0.44058 0.44283 0.44340 0.44640 Alpha virt. eigenvalues -- 0.44646 0.45081 0.45779 0.46120 0.46267 Alpha virt. eigenvalues -- 0.46544 0.47392 0.48200 0.48236 0.49338 Alpha virt. eigenvalues -- 0.49623 0.50506 0.51029 0.51699 0.52362 Alpha virt. eigenvalues -- 0.53123 0.53733 0.53827 0.54594 0.54989 Alpha virt. eigenvalues -- 0.55941 0.56333 0.57072 0.57653 0.57878 Alpha virt. eigenvalues -- 0.58252 0.59284 0.59472 0.60535 0.61753 Alpha virt. eigenvalues -- 0.62266 0.62537 0.63617 0.64176 0.65058 Alpha virt. eigenvalues -- 0.65803 0.67297 0.68755 0.69017 0.70876 Alpha virt. eigenvalues -- 0.71359 0.72209 0.72962 0.73389 0.73495 Alpha virt. eigenvalues -- 0.74974 0.75195 0.75688 0.76648 0.77141 Alpha virt. eigenvalues -- 0.77330 0.77911 0.78525 0.79608 0.80312 Alpha virt. eigenvalues -- 0.80527 0.80743 0.81790 0.82245 0.82682 Alpha virt. eigenvalues -- 0.83338 0.83709 0.84074 0.84934 0.85320 Alpha virt. eigenvalues -- 0.85667 0.86088 0.86772 0.87086 0.88002 Alpha virt. eigenvalues -- 0.88370 0.89218 0.90229 0.90753 0.91083 Alpha virt. eigenvalues -- 0.91188 0.91592 0.91849 0.92584 0.93746 Alpha virt. eigenvalues -- 0.93969 0.94724 0.94782 0.95641 0.96462 Alpha virt. eigenvalues -- 0.96949 0.97228 0.98158 0.98381 0.98508 Alpha virt. eigenvalues -- 1.00207 1.00481 1.00798 1.01549 1.02365 Alpha virt. eigenvalues -- 1.02757 1.03613 1.04298 1.04817 1.05774 Alpha virt. eigenvalues -- 1.06276 1.06800 1.07776 1.07795 1.08544 Alpha virt. eigenvalues -- 1.09210 1.09348 1.09827 1.10607 1.11258 Alpha virt. eigenvalues -- 1.11954 1.12600 1.13417 1.13637 1.14377 Alpha virt. eigenvalues -- 1.15124 1.15287 1.15514 1.15685 1.16239 Alpha virt. eigenvalues -- 1.17046 1.17385 1.17972 1.18285 1.18508 Alpha virt. eigenvalues -- 1.18743 1.19290 1.19747 1.20425 1.20885 Alpha virt. eigenvalues -- 1.21112 1.21775 1.22428 1.22732 1.23064 Alpha virt. eigenvalues -- 1.23466 1.24044 1.24571 1.25434 1.25863 Alpha virt. eigenvalues -- 1.26134 1.26512 1.27362 1.28330 1.28606 Alpha virt. eigenvalues -- 1.30384 1.30753 1.31331 1.31941 1.32598 Alpha virt. eigenvalues -- 1.33955 1.34361 1.35300 1.36115 1.36650 Alpha virt. eigenvalues -- 1.37846 1.38926 1.39540 1.40518 1.40733 Alpha virt. eigenvalues -- 1.40970 1.41519 1.41749 1.42176 1.43725 Alpha virt. eigenvalues -- 1.44679 1.45067 1.45326 1.46296 1.47231 Alpha virt. eigenvalues -- 1.47516 1.47866 1.48822 1.50168 1.50845 Alpha virt. eigenvalues -- 1.51383 1.51811 1.52994 1.53663 1.54325 Alpha virt. eigenvalues -- 1.55458 1.56760 1.56918 1.57889 1.58693 Alpha virt. eigenvalues -- 1.58855 1.59865 1.60125 1.61438 1.61967 Alpha virt. eigenvalues -- 1.62685 1.63856 1.64446 1.65259 1.65674 Alpha virt. eigenvalues -- 1.66623 1.66815 1.68138 1.69711 1.70457 Alpha virt. eigenvalues -- 1.71526 1.72046 1.72712 1.73279 1.74360 Alpha virt. eigenvalues -- 1.76167 1.77193 1.78555 1.78923 1.79119 Alpha virt. eigenvalues -- 1.79932 1.80389 1.80897 1.82280 1.82576 Alpha virt. eigenvalues -- 1.83841 1.84643 1.85729 1.86403 1.87414 Alpha virt. eigenvalues -- 1.87696 1.89099 1.89521 1.90426 1.90554 Alpha virt. eigenvalues -- 1.91679 1.92190 1.93140 1.93417 1.93608 Alpha virt. eigenvalues -- 1.94376 1.95216 1.96432 1.97049 1.97244 Alpha virt. eigenvalues -- 1.98341 1.98746 1.99445 2.00319 2.01705 Alpha virt. eigenvalues -- 2.01917 2.02949 2.03804 2.04258 2.04472 Alpha virt. eigenvalues -- 2.05052 2.05673 2.06600 2.06833 2.07717 Alpha virt. eigenvalues -- 2.09176 2.09830 2.10724 2.11638 2.12225 Alpha virt. eigenvalues -- 2.12990 2.13995 2.15996 2.16711 2.17657 Alpha virt. eigenvalues -- 2.18325 2.18776 2.19576 2.20326 2.22060 Alpha virt. eigenvalues -- 2.22621 2.23038 2.23907 2.24526 2.25737 Alpha virt. eigenvalues -- 2.26639 2.27168 2.27583 2.28247 2.29455 Alpha virt. eigenvalues -- 2.29990 2.31059 2.32286 2.32449 2.33951 Alpha virt. eigenvalues -- 2.34709 2.35563 2.37227 2.37517 2.38022 Alpha virt. eigenvalues -- 2.38256 2.39137 2.39385 2.41314 2.42163 Alpha virt. eigenvalues -- 2.42503 2.43479 2.44813 2.45771 2.46413 Alpha virt. eigenvalues -- 2.47579 2.48903 2.49148 2.49898 2.51226 Alpha virt. eigenvalues -- 2.51534 2.52660 2.53781 2.54144 2.54641 Alpha virt. eigenvalues -- 2.55815 2.56624 2.57611 2.57837 2.58446 Alpha virt. eigenvalues -- 2.59532 2.61128 2.61790 2.62487 2.64046 Alpha virt. eigenvalues -- 2.64617 2.65202 2.65342 2.66785 2.67617 Alpha virt. eigenvalues -- 2.68022 2.69075 2.70049 2.70253 2.71326 Alpha virt. eigenvalues -- 2.71526 2.72557 2.73815 2.74336 2.75477 Alpha virt. eigenvalues -- 2.75842 2.76507 2.77431 2.77666 2.79048 Alpha virt. eigenvalues -- 2.79869 2.80275 2.81352 2.81717 2.83236 Alpha virt. eigenvalues -- 2.83465 2.83927 2.84232 2.84998 2.85533 Alpha virt. eigenvalues -- 2.85933 2.86606 2.87159 2.87573 2.88071 Alpha virt. eigenvalues -- 2.88831 2.89319 2.89909 2.90157 2.91086 Alpha virt. eigenvalues -- 2.91310 2.91600 2.92306 2.93040 2.93416 Alpha virt. eigenvalues -- 2.94151 2.94868 2.95838 2.96534 2.97307 Alpha virt. eigenvalues -- 2.97999 2.98655 2.98795 2.99369 2.99801 Alpha virt. eigenvalues -- 3.00441 3.01320 3.01828 3.02238 3.03211 Alpha virt. eigenvalues -- 3.03558 3.03844 3.04441 3.04767 3.05651 Alpha virt. eigenvalues -- 3.06201 3.06885 3.07189 3.07786 3.08574 Alpha virt. eigenvalues -- 3.08719 3.09499 3.10267 3.10545 3.10868 Alpha virt. eigenvalues -- 3.11544 3.12235 3.12798 3.13277 3.13577 Alpha virt. eigenvalues -- 3.13982 3.14739 3.15623 3.16159 3.16841 Alpha virt. eigenvalues -- 3.18268 3.18791 3.18892 3.19367 3.19568 Alpha virt. eigenvalues -- 3.20221 3.21365 3.21773 3.21997 3.22856 Alpha virt. eigenvalues -- 3.23255 3.24367 3.25948 3.26827 3.27296 Alpha virt. eigenvalues -- 3.28448 3.29542 3.30215 3.31080 3.31997 Alpha virt. eigenvalues -- 3.32947 3.33255 3.33544 3.34242 3.35094 Alpha virt. eigenvalues -- 3.35237 3.36085 3.37030 3.37578 3.39185 Alpha virt. eigenvalues -- 3.39524 3.40273 3.40791 3.41697 3.42422 Alpha virt. eigenvalues -- 3.43641 3.44392 3.44864 3.45771 3.46527 Alpha virt. eigenvalues -- 3.47382 3.48094 3.48811 3.49620 3.50010 Alpha virt. eigenvalues -- 3.50872 3.52018 3.53308 3.53606 3.54279 Alpha virt. eigenvalues -- 3.55693 3.56448 3.57381 3.57971 3.58565 Alpha virt. eigenvalues -- 3.59534 3.60281 3.61106 3.61435 3.62694 Alpha virt. eigenvalues -- 3.63526 3.64902 3.65955 3.67614 3.68402 Alpha virt. eigenvalues -- 3.69131 3.69997 3.71299 3.71743 3.72997 Alpha virt. eigenvalues -- 3.73425 3.74562 3.75216 3.76255 3.77052 Alpha virt. eigenvalues -- 3.77376 3.78095 3.78969 3.80179 3.81098 Alpha virt. eigenvalues -- 3.81824 3.82585 3.83081 3.83404 3.85030 Alpha virt. eigenvalues -- 3.85394 3.85962 3.86705 3.87491 3.88822 Alpha virt. eigenvalues -- 3.89160 3.89430 3.90257 3.90467 3.91910 Alpha virt. eigenvalues -- 3.92429 3.93329 3.93729 3.93798 3.95019 Alpha virt. eigenvalues -- 3.96216 3.96821 3.98014 3.98662 3.98864 Alpha virt. eigenvalues -- 3.99927 4.00334 4.01443 4.01772 4.03146 Alpha virt. eigenvalues -- 4.04616 4.06205 4.07477 4.07862 4.08572 Alpha virt. eigenvalues -- 4.09200 4.11012 4.11677 4.12797 4.14065 Alpha virt. eigenvalues -- 4.14939 4.15528 4.16279 4.17520 4.18210 Alpha virt. eigenvalues -- 4.18332 4.19758 4.20243 4.22071 4.24140 Alpha virt. eigenvalues -- 4.25463 4.25558 4.27310 4.28081 4.32322 Alpha virt. eigenvalues -- 4.33218 4.34950 4.35759 4.37798 4.38786 Alpha virt. eigenvalues -- 4.40159 4.42805 4.46004 4.46565 4.48821 Alpha virt. eigenvalues -- 4.49576 4.52102 4.53361 4.55294 4.55600 Alpha virt. eigenvalues -- 4.58838 4.59790 4.61945 4.64367 4.64767 Alpha virt. eigenvalues -- 4.66190 4.69793 4.70808 4.72913 4.74352 Alpha virt. eigenvalues -- 4.75651 4.77981 4.80022 4.81405 4.82574 Alpha virt. eigenvalues -- 4.83497 4.85186 4.85930 4.86707 4.88326 Alpha virt. eigenvalues -- 4.88845 4.90537 4.91182 4.93365 4.94690 Alpha virt. eigenvalues -- 4.95211 4.96866 4.97862 4.98626 5.00796 Alpha virt. eigenvalues -- 5.01525 5.02806 5.04526 5.08796 5.10060 Alpha virt. eigenvalues -- 5.10915 5.12964 5.13587 5.14575 5.19089 Alpha virt. eigenvalues -- 5.19958 5.21024 5.22508 5.24413 5.27880 Alpha virt. eigenvalues -- 5.30113 5.32072 5.33247 5.35919 5.38741 Alpha virt. eigenvalues -- 5.42242 5.42680 5.44423 5.45611 5.46012 Alpha virt. eigenvalues -- 5.46488 5.47656 5.48202 5.49296 5.50314 Alpha virt. eigenvalues -- 5.51131 5.52928 5.53386 5.55362 5.57982 Alpha virt. eigenvalues -- 5.58464 5.59603 5.60148 5.62810 5.63342 Alpha virt. eigenvalues -- 5.64722 5.65728 5.68238 5.69671 5.71147 Alpha virt. eigenvalues -- 5.72127 5.72532 5.74447 5.76721 5.79808 Alpha virt. eigenvalues -- 5.80509 5.81970 5.85669 5.87276 5.91057 Alpha virt. eigenvalues -- 5.91795 5.92630 5.94521 5.96163 5.97195 Alpha virt. eigenvalues -- 5.97808 5.99042 6.00740 6.01615 6.03285 Alpha virt. eigenvalues -- 6.05704 6.06759 6.07846 6.08872 6.09093 Alpha virt. eigenvalues -- 6.11014 6.11957 6.13064 6.13924 6.16957 Alpha virt. eigenvalues -- 6.17007 6.18826 6.19623 6.21391 6.23186 Alpha virt. eigenvalues -- 6.24768 6.26300 6.27072 6.28335 6.28638 Alpha virt. eigenvalues -- 6.29197 6.31203 6.31930 6.32882 6.34177 Alpha virt. eigenvalues -- 6.34549 6.35210 6.36796 6.38100 6.39482 Alpha virt. eigenvalues -- 6.43954 6.49259 6.50344 6.51747 6.51847 Alpha virt. eigenvalues -- 6.52710 6.53278 6.54856 6.55613 6.56065 Alpha virt. eigenvalues -- 6.58345 6.58462 6.59192 6.59653 6.60200 Alpha virt. eigenvalues -- 6.60887 6.61525 6.63068 6.63700 6.64702 Alpha virt. eigenvalues -- 6.65216 6.67229 6.68123 6.68441 6.69773 Alpha virt. eigenvalues -- 6.71171 6.72187 6.72399 6.73677 6.74044 Alpha virt. eigenvalues -- 6.74225 6.75217 6.75739 6.76857 6.77440 Alpha virt. eigenvalues -- 6.78359 6.79378 6.79702 6.79993 6.81286 Alpha virt. eigenvalues -- 6.81549 6.82052 6.82789 6.83551 6.84887 Alpha virt. eigenvalues -- 6.86649 6.86679 6.87484 6.88353 6.90075 Alpha virt. eigenvalues -- 6.90967 6.91546 6.92176 6.93125 6.95052 Alpha virt. eigenvalues -- 6.95151 6.96463 6.97806 7.00311 7.01353 Alpha virt. eigenvalues -- 7.02921 7.03455 7.04391 7.05561 7.06010 Alpha virt. eigenvalues -- 7.06482 7.07500 7.08156 7.08581 7.09135 Alpha virt. eigenvalues -- 7.10147 7.10422 7.10647 7.11431 7.11712 Alpha virt. eigenvalues -- 7.12733 7.13186 7.13562 7.15158 7.15451 Alpha virt. eigenvalues -- 7.17052 7.17399 7.19397 7.20518 7.21787 Alpha virt. eigenvalues -- 7.22262 7.24386 7.26688 7.28559 7.31063 Alpha virt. eigenvalues -- 7.31258 7.32553 7.32819 7.33692 7.34401 Alpha virt. eigenvalues -- 7.35303 7.35835 7.36468 7.37876 7.41554 Alpha virt. eigenvalues -- 7.43594 7.44816 7.45589 7.46403 7.48555 Alpha virt. eigenvalues -- 7.49948 7.50786 7.51013 7.51481 7.51764 Alpha virt. eigenvalues -- 7.52695 7.53858 7.55720 7.56504 7.57266 Alpha virt. eigenvalues -- 7.57509 7.59276 7.61172 7.61548 7.62458 Alpha virt. eigenvalues -- 7.65017 7.80611 7.86126 7.86596 7.87813 Alpha virt. eigenvalues -- 7.88429 7.90793 7.91946 7.94263 7.97102 Alpha virt. eigenvalues -- 7.99451 8.01903 8.04379 8.05034 8.08783 Alpha virt. eigenvalues -- 8.09992 8.17970 8.18578 8.19972 8.20635 Alpha virt. eigenvalues -- 8.21026 8.22454 8.22714 8.29381 8.29736 Alpha virt. eigenvalues -- 8.30143 8.30438 8.32628 8.34603 8.35521 Alpha virt. eigenvalues -- 8.35951 8.38029 8.38067 8.38585 8.40746 Alpha virt. eigenvalues -- 8.42603 8.43495 8.45002 8.46325 8.48189 Alpha virt. eigenvalues -- 8.49064 8.50040 8.50923 8.52665 8.54889 Alpha virt. eigenvalues -- 8.56224 8.57480 8.63138 8.64412 8.65070 Alpha virt. eigenvalues -- 8.65179 8.65524 8.66114 8.67294 8.67940 Alpha virt. eigenvalues -- 8.69532 8.70174 8.74623 8.75145 8.81246 Alpha virt. eigenvalues -- 8.82930 8.83205 8.84542 8.85641 8.85963 Alpha virt. eigenvalues -- 8.87193 8.87884 8.88227 8.89217 8.89693 Alpha virt. eigenvalues -- 8.89807 8.90279 8.90855 8.90971 8.91933 Alpha virt. eigenvalues -- 8.93369 8.93905 8.94547 8.96944 8.99766 Alpha virt. eigenvalues -- 9.04376 9.05527 9.07313 9.07997 9.08259 Alpha virt. eigenvalues -- 9.09678 9.10217 9.10664 9.11546 9.11963 Alpha virt. eigenvalues -- 9.12316 9.12692 9.13090 9.14051 9.14564 Alpha virt. eigenvalues -- 9.15750 9.16460 9.17087 9.18362 9.18931 Alpha virt. eigenvalues -- 9.20001 9.20923 9.21357 9.21704 9.22903 Alpha virt. eigenvalues -- 9.24163 9.24890 9.25456 9.26221 9.27925 Alpha virt. eigenvalues -- 9.28569 9.29508 9.32006 9.32322 9.32592 Alpha virt. eigenvalues -- 9.33920 9.35704 9.40076 9.41442 9.43360 Alpha virt. eigenvalues -- 9.46396 9.46690 9.47520 9.48032 9.49110 Alpha virt. eigenvalues -- 9.49353 9.49469 9.51297 9.52125 9.55074 Alpha virt. eigenvalues -- 9.57272 9.57792 9.59290 9.59998 9.63644 Alpha virt. eigenvalues -- 9.64335 9.65870 9.67079 9.68457 9.69309 Alpha virt. eigenvalues -- 9.72858 9.73691 9.76145 9.82631 9.83047 Alpha virt. eigenvalues -- 9.83947 9.85515 9.89421 9.90564 9.90820 Alpha virt. eigenvalues -- 9.91336 9.92729 10.07046 10.20249 10.20565 Alpha virt. eigenvalues -- 10.20616 10.22503 10.23436 10.24003 10.26896 Alpha virt. eigenvalues -- 10.27650 10.28618 10.30332 10.32529 10.33143 Alpha virt. eigenvalues -- 10.34802 10.37212 10.41027 10.44901 10.59811 Alpha virt. eigenvalues -- 10.63448 10.63706 10.64734 10.66940 10.67734 Alpha virt. eigenvalues -- 10.71833 10.72849 10.73361 10.74127 10.75327 Alpha virt. eigenvalues -- 10.76156 10.77429 10.78450 10.78773 10.80103 Alpha virt. eigenvalues -- 10.92363 10.93575 10.94655 10.95914 11.24255 Alpha virt. eigenvalues -- 11.25022 11.26240 11.26352 11.51597 11.52911 Alpha virt. eigenvalues -- 11.54245 11.56820 11.73931 11.74429 11.75101 Alpha virt. eigenvalues -- 11.78126 12.80156 12.81416 12.96179 13.52778 Alpha virt. eigenvalues -- 13.54500 13.70942 13.71494 13.73064 13.74553 Alpha virt. eigenvalues -- 14.05144 14.07039 14.10163 14.10269 14.61096 Alpha virt. eigenvalues -- 16.22849 25.16194 25.37331 25.49959 25.61131 Alpha virt. eigenvalues -- 27.11472 29.07117 29.12169 29.19467 29.21966 Alpha virt. eigenvalues -- 29.24964 29.27056 29.27897 29.39211 29.44511 Alpha virt. eigenvalues -- 29.50837 29.53696 29.55493 29.61397 29.67414 Alpha virt. eigenvalues -- 30.07790 30.10670 30.13176 30.19691 30.35433 Alpha virt. eigenvalues -- 30.37079 30.37481 30.40810 85.80862 86.01545 Alpha virt. eigenvalues -- 86.09986 86.25161 86.25725 141.85213 141.89785 Alpha virt. eigenvalues -- 142.25955 142.28977 142.32094 142.37924 142.47970 Alpha virt. eigenvalues -- 142.49004 142.49642 142.53032 441.58891 441.90043 Alpha virt. eigenvalues -- 442.10381 442.29996 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.334363 -0.001649 0.281186 -0.027714 -0.017548 0.329775 2 C -0.001649 5.355235 0.000990 -0.001468 0.002208 -0.002542 3 C 0.281186 0.000990 5.327572 0.323727 -0.035719 -0.033467 4 C -0.027714 -0.001468 0.323727 5.418274 0.244599 -0.021731 5 C -0.017548 0.002208 -0.035719 0.244599 5.494683 0.273405 6 C 0.329775 -0.002542 -0.033467 -0.021731 0.273405 5.418574 7 C -0.003653 0.349187 -0.002991 0.003377 0.005154 -0.001253 8 C -0.000475 -0.042910 -0.001592 -0.000464 -0.004007 -0.002954 9 C -0.005548 -0.067976 0.006046 0.000533 -0.016310 0.010355 10 C 0.006988 0.357465 -0.003939 0.007903 -0.015761 0.000177 11 H 0.373987 0.000226 -0.023464 0.003609 0.012590 -0.016342 12 H 0.000148 0.338039 0.000253 -0.000525 0.001015 -0.000449 13 H -0.033032 -0.000677 0.364649 -0.021435 0.003744 0.006557 14 H 0.007290 -0.001253 -0.027235 0.345545 -0.035894 0.003983 15 H 0.011208 0.001070 0.002942 -0.017595 0.359563 -0.015582 16 H -0.030530 -0.000184 0.006191 0.004272 -0.038252 0.338622 17 H 0.000060 -0.023401 -0.000287 0.000659 -0.000156 -0.000190 18 H -0.000257 0.008160 0.000473 -0.000906 0.001651 0.001066 19 H 0.001208 0.001638 -0.000708 0.001758 -0.010287 -0.005185 20 H -0.000079 -0.012847 0.000685 -0.005406 -0.005683 0.000963 21 Mo -0.121210 -0.108399 -0.064144 -0.118820 -0.125584 -0.151979 22 S -0.033337 0.004293 -0.000408 -0.000956 -0.000225 -0.022185 23 S -0.001874 -0.000209 -0.001171 0.000581 0.000145 0.002503 24 S -0.002103 0.002346 -0.006845 0.003981 -0.002831 0.002936 25 S -0.004868 -0.059009 -0.020471 -0.030621 0.008762 -0.005579 7 8 9 10 11 12 1 C -0.003653 -0.000475 -0.005548 0.006988 0.373987 0.000148 2 C 0.349187 -0.042910 -0.067976 0.357465 0.000226 0.338039 3 C -0.002991 -0.001592 0.006046 -0.003939 -0.023464 0.000253 4 C 0.003377 -0.000464 0.000533 0.007903 0.003609 -0.000525 5 C 0.005154 -0.004007 -0.016310 -0.015761 0.012590 0.001015 6 C -0.001253 -0.002954 0.010355 0.000177 -0.016342 -0.000449 7 C 5.298788 0.361470 -0.057940 -0.055546 -0.000053 -0.027747 8 C 0.361470 5.318918 0.350584 -0.071736 -0.000540 0.006562 9 C -0.057940 0.350584 5.236851 0.288879 -0.000602 0.001030 10 C -0.055546 -0.071736 0.288879 5.201260 0.000350 -0.032218 11 H -0.000053 -0.000540 -0.000602 0.000350 0.500166 0.000009 12 H -0.027747 0.006562 0.001030 -0.032218 0.000009 0.495722 13 H 0.000156 0.000111 0.000404 -0.000435 -0.003378 0.000038 14 H 0.000605 -0.000303 -0.001820 -0.000748 0.000059 0.000503 15 H 0.000849 0.001583 -0.005283 -0.001776 0.000267 -0.000253 16 H 0.000550 -0.000027 0.000618 -0.001404 -0.005381 0.000009 17 H 0.349022 -0.021108 0.005506 0.004772 -0.000035 -0.002996 18 H -0.019851 0.348583 -0.030825 0.002853 -0.000051 0.000187 19 H 0.011139 -0.010857 0.359915 -0.023804 -0.000016 -0.000166 20 H 0.011145 0.003416 -0.021036 0.365594 0.000020 -0.003808 21 Mo -0.257901 -0.085582 -0.002917 0.009251 -0.026480 0.033836 22 S -0.026174 -0.058760 0.002580 0.003647 -0.024802 -0.001325 23 S -0.023620 -0.000598 0.000455 0.000188 0.002071 0.000660 24 S -0.000906 0.001029 0.000036 0.000192 -0.005296 0.000091 25 S -0.047620 -0.000849 0.004891 -0.001643 0.004313 0.001572 13 14 15 16 17 18 1 C -0.033032 0.007290 0.011208 -0.030530 0.000060 -0.000257 2 C -0.000677 -0.001253 0.001070 -0.000184 -0.023401 0.008160 3 C 0.364649 -0.027235 0.002942 0.006191 -0.000287 0.000473 4 C -0.021435 0.345545 -0.017595 0.004272 0.000659 -0.000906 5 C 0.003744 -0.035894 0.359563 -0.038252 -0.000156 0.001651 6 C 0.006557 0.003983 -0.015582 0.338622 -0.000190 0.001066 7 C 0.000156 0.000605 0.000849 0.000550 0.349022 -0.019851 8 C 0.000111 -0.000303 0.001583 -0.000027 -0.021108 0.348583 9 C 0.000404 -0.001820 -0.005283 0.000618 0.005506 -0.030825 10 C -0.000435 -0.000748 -0.001776 -0.001404 0.004772 0.002853 11 H -0.003378 0.000059 0.000267 -0.005381 -0.000035 -0.000051 12 H 0.000038 0.000503 -0.000253 0.000009 -0.002996 0.000187 13 H 0.498527 -0.004664 -0.000268 0.000266 -0.000071 0.000037 14 H -0.004664 0.502672 -0.003161 0.000033 -0.000004 0.000001 15 H -0.000268 -0.003161 0.570394 -0.004917 0.000057 -0.000326 16 H 0.000266 0.000033 -0.004917 0.482107 0.000005 0.000441 17 H -0.000071 -0.000004 0.000057 0.000005 0.581292 -0.005970 18 H 0.000037 0.000001 -0.000326 0.000441 -0.005970 0.487074 19 H -0.000005 -0.000072 0.005069 -0.001419 0.000203 -0.004579 20 H -0.000063 -0.001512 0.004197 -0.000121 -0.000063 -0.000116 21 Mo 0.005079 0.042035 -0.052949 0.056798 0.022160 0.020946 22 S 0.003784 -0.000301 -0.000022 0.005791 -0.025733 -0.001091 23 S 0.000754 -0.000037 -0.000001 -0.000195 0.019875 0.000008 24 S -0.006815 0.000694 -0.000021 0.000453 -0.001541 0.000023 25 S -0.006280 0.001491 -0.000069 -0.000744 0.001951 -0.002471 19 20 21 22 23 24 1 C 0.001208 -0.000079 -0.121210 -0.033337 -0.001874 -0.002103 2 C 0.001638 -0.012847 -0.108399 0.004293 -0.000209 0.002346 3 C -0.000708 0.000685 -0.064144 -0.000408 -0.001171 -0.006845 4 C 0.001758 -0.005406 -0.118820 -0.000956 0.000581 0.003981 5 C -0.010287 -0.005683 -0.125584 -0.000225 0.000145 -0.002831 6 C -0.005185 0.000963 -0.151979 -0.022185 0.002503 0.002936 7 C 0.011139 0.011145 -0.257901 -0.026174 -0.023620 -0.000906 8 C -0.010857 0.003416 -0.085582 -0.058760 -0.000598 0.001029 9 C 0.359915 -0.021036 -0.002917 0.002580 0.000455 0.000036 10 C -0.023804 0.365594 0.009251 0.003647 0.000188 0.000192 11 H -0.000016 0.000020 -0.026480 -0.024802 0.002071 -0.005296 12 H -0.000166 -0.003808 0.033836 -0.001325 0.000660 0.000091 13 H -0.000005 -0.000063 0.005079 0.003784 0.000754 -0.006815 14 H -0.000072 -0.001512 0.042035 -0.000301 -0.000037 0.000694 15 H 0.005069 0.004197 -0.052949 -0.000022 -0.000001 -0.000021 16 H -0.001419 -0.000121 0.056798 0.005791 -0.000195 0.000453 17 H 0.000203 -0.000063 0.022160 -0.025733 0.019875 -0.001541 18 H -0.004579 -0.000116 0.020946 -0.001091 0.000008 0.000023 19 H 0.546802 -0.004000 -0.002184 -0.000539 -0.000008 -0.000002 20 H -0.004000 0.564229 -0.012381 0.000370 0.000016 -0.000024 21 Mo -0.002184 -0.012381 15.055405 0.246730 0.017752 0.029437 22 S -0.000539 0.000370 0.246730 16.184904 0.011478 -0.087409 23 S -0.000008 0.000016 0.017752 0.011478 15.985392 0.113696 24 S -0.000002 -0.000024 0.029437 -0.087409 0.113696 15.962279 25 S 0.000370 -0.000452 0.249215 -0.023818 -0.087066 0.023406 25 1 C -0.004868 2 C -0.059009 3 C -0.020471 4 C -0.030621 5 C 0.008762 6 C -0.005579 7 C -0.047620 8 C -0.000849 9 C 0.004891 10 C -0.001643 11 H 0.004313 12 H 0.001572 13 H -0.006280 14 H 0.001491 15 H -0.000069 16 H -0.000744 17 H 0.001951 18 H -0.002471 19 H 0.000370 20 H -0.000452 21 Mo 0.249215 22 S -0.023818 23 S -0.087066 24 S 0.023406 25 S 16.125265 Mulliken charges: 1 1 C -0.062337 2 C -0.098336 3 C -0.092275 4 C -0.111177 5 C -0.099260 6 C -0.109478 7 C 0.133814 8 C -0.089493 9 C -0.058425 10 C -0.040508 11 H 0.208773 12 H 0.189812 13 H 0.193018 14 H 0.172092 15 H 0.145025 16 H 0.187019 17 H 0.095995 18 H 0.194939 19 H 0.135730 20 H 0.116955 21 Mo -0.658112 22 S -0.156491 23 S -0.040795 24 S -0.026806 25 S -0.129680 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.146437 2 C 0.091476 3 C 0.100743 4 C 0.060915 5 C 0.045765 6 C 0.077541 7 C 0.229809 8 C 0.105446 9 C 0.077305 10 C 0.076447 21 Mo -0.658112 22 S -0.156491 23 S -0.040795 24 S -0.026806 25 S -0.129680 Electronic spatial extent (au): = 3706.6568 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -8.1095 Y= 0.5858 Z= -0.0203 Tot= 8.1307 Quadrupole moment (field-independent basis, Debye-Ang): XX= -133.9721 YY= -131.4894 ZZ= -136.4645 XY= 1.5607 XZ= -0.0279 YZ= -0.9695 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.0033 YY= 2.4859 ZZ= -2.4892 XY= 1.5607 XZ= -0.0279 YZ= -0.9695 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -80.8999 YYY= 1.9288 ZZZ= -0.3830 XYY= -0.8798 XXY= 1.8545 XXZ= -0.8584 XZZ= -33.5481 YZZ= 1.0837 YYZ= -0.2057 XYZ= -6.9612 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -2719.1601 YYYY= -1523.6513 ZZZZ= -1086.8411 XXXY= -1.7045 XXXZ= 3.3352 YYYX= 8.9362 YYYZ= 29.2257 ZZZX= -0.3684 ZZZY= -15.1513 XXYY= -739.2637 XXZZ= -634.1658 YYZZ= -415.2847 XXYZ= 12.3627 YYXZ= 0.3423 ZZXY= 4.1083 N-N= 1.724174122491D+03 E-N=-8.271544285423D+03 KE= 2.001477810388D+03 Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EIn" output file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EOu" message file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 379 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 379 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 379 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 613 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 613 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 613 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1137 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 25 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 70 to matrix element file. Write BOND TYPES from file 0 offset 0 length 70 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 25 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 25 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 100 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 25 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 25 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 25 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 25 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 25 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 25 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 25 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 75 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 75 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 758296 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 758296 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 758296 length 758296 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 758296 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1515361 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2274888 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 1231 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1515361 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 758296 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 758296 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 758296 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 758296 to matrix element file. Write INTEGER PARAMETERS from file 0 offset 0 length 2 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/1664152.pbs-7/Gau- Job title: CPMOTS NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 1.99997 -10.22485 2 C 1 s Val( 2s) 1.00950 -0.18573 3 C 1 s Ryd( 4s) 0.00156 4.65390 4 C 1 s Ryd( 3s) 0.00009 4.52958 5 C 1 s Ryd( 5s) 0.00001 11.42484 6 C 1 s Ryd( 6s) 0.00000 14.32231 7 C 1 s Ryd( 7s) 0.00000 128.93331 8 C 1 px Val( 2p) 1.13347 -0.05761 9 C 1 px Ryd( 3p) 0.00450 1.44264 10 C 1 px Ryd( 4p) 0.00056 1.57093 11 C 1 px Ryd( 5p) 0.00004 5.00921 12 C 1 py Val( 2p) 0.95345 -0.11633 13 C 1 py Ryd( 3p) 0.00248 1.03878 14 C 1 py Ryd( 4p) 0.00034 1.16503 15 C 1 py Ryd( 5p) 0.00003 4.41276 16 C 1 pz Val( 2p) 1.06784 -0.05276 17 C 1 pz Ryd( 3p) 0.00510 1.45531 18 C 1 pz Ryd( 4p) 0.00029 1.37716 19 C 1 pz Ryd( 5p) 0.00005 5.10573 20 C 1 dxy Ryd( 3d) 0.00196 2.61860 21 C 1 dxy Ryd( 4d) 0.00024 3.40345 22 C 1 dxy Ryd( 5d) 0.00001 7.30800 23 C 1 dxz Ryd( 3d) 0.00057 2.92688 24 C 1 dxz Ryd( 4d) 0.00077 4.75294 25 C 1 dxz Ryd( 5d) 0.00001 8.14183 26 C 1 dyz Ryd( 3d) 0.00191 2.11066 27 C 1 dyz Ryd( 4d) 0.00052 3.03919 28 C 1 dyz Ryd( 5d) 0.00001 6.99435 29 C 1 dx2y2 Ryd( 3d) 0.00158 2.60500 30 C 1 dx2y2 Ryd( 4d) 0.00043 3.58156 31 C 1 dx2y2 Ryd( 5d) 0.00001 7.89332 32 C 1 dz2 Ryd( 3d) 0.00146 4.53804 33 C 1 dz2 Ryd( 4d) 0.00029 4.35523 34 C 1 dz2 Ryd( 5d) 0.00001 7.19810 35 C 1 f(0) Ryd( 4f) 0.00045 3.95360 36 C 1 f(0) Ryd( 5f) 0.00002 7.97925 37 C 1 f(c1) Ryd( 4f) 0.00038 3.85587 38 C 1 f(c1) Ryd( 5f) 0.00002 8.13125 39 C 1 f(s1) Ryd( 4f) 0.00031 3.18439 40 C 1 f(s1) Ryd( 5f) 0.00001 7.56268 41 C 1 f(c2) Ryd( 4f) 0.00046 3.44730 42 C 1 f(c2) Ryd( 5f) 0.00001 7.40594 43 C 1 f(s2) Ryd( 4f) 0.00049 3.35356 44 C 1 f(s2) Ryd( 5f) 0.00001 7.66520 45 C 1 f(c3) Ryd( 4f) 0.00064 2.92310 46 C 1 f(c3) Ryd( 5f) 0.00001 7.47714 47 C 1 f(s3) Ryd( 4f) 0.00042 3.22950 48 C 1 f(s3) Ryd( 5f) 0.00001 7.74018 49 C 1 g(0) Ryd( 5g) 0.00015 6.24493 50 C 1 g(c1) Ryd( 5g) 0.00014 6.35301 51 C 1 g(s1) Ryd( 5g) 0.00005 6.09721 52 C 1 g(c2) Ryd( 5g) 0.00006 6.18862 53 C 1 g(s2) Ryd( 5g) 0.00005 6.26583 54 C 1 g(c3) Ryd( 5g) 0.00008 6.02458 55 C 1 g(s3) Ryd( 5g) 0.00008 5.97670 56 C 1 g(c4) Ryd( 5g) 0.00001 5.93527 57 C 1 g(s4) Ryd( 5g) 0.00003 6.06148 58 C 2 s Cor( 1s) 1.99997 -10.23114 59 C 2 s Val( 2s) 1.00156 -0.18893 60 C 2 s Ryd( 3s) 0.00143 4.98379 61 C 2 s Ryd( 4s) 0.00008 5.31329 62 C 2 s Ryd( 5s) 0.00001 11.14836 63 C 2 s Ryd( 6s) 0.00000 13.98479 64 C 2 s Ryd( 7s) 0.00000 129.02599 65 C 2 px Val( 2p) 1.00855 -0.06120 66 C 2 px Ryd( 3p) 0.00440 1.50592 67 C 2 px Ryd( 4p) 0.00021 1.13361 68 C 2 px Ryd( 5p) 0.00005 4.84558 69 C 2 py Val( 2p) 0.99433 -0.11861 70 C 2 py Ryd( 3p) 0.00226 1.05661 71 C 2 py Ryd( 4p) 0.00031 1.18131 72 C 2 py Ryd( 5p) 0.00003 4.41877 73 C 2 pz Val( 2p) 1.17721 -0.06461 74 C 2 pz Ryd( 3p) 0.00474 1.51272 75 C 2 pz Ryd( 4p) 0.00029 2.14418 76 C 2 pz Ryd( 5p) 0.00004 5.10879 77 C 2 dxy Ryd( 3d) 0.00082 2.57081 78 C 2 dxy Ryd( 4d) 0.00050 3.12058 79 C 2 dxy Ryd( 5d) 0.00001 7.09030 80 C 2 dxz Ryd( 3d) 0.00166 4.41142 81 C 2 dxz Ryd( 4d) 0.00029 4.88246 82 C 2 dxz Ryd( 5d) 0.00001 7.54740 83 C 2 dyz Ryd( 3d) 0.00291 2.73013 84 C 2 dyz Ryd( 4d) 0.00015 3.56715 85 C 2 dyz Ryd( 5d) 0.00001 7.15890 86 C 2 dx2y2 Ryd( 3d) 0.00083 2.36995 87 C 2 dx2y2 Ryd( 4d) 0.00052 2.95175 88 C 2 dx2y2 Ryd( 5d) 0.00001 7.06490 89 C 2 dz2 Ryd( 3d) 0.00139 3.13484 90 C 2 dz2 Ryd( 4d) 0.00051 4.89147 91 C 2 dz2 Ryd( 5d) 0.00001 8.52431 92 C 2 f(0) Ryd( 4f) 0.00067 3.88671 93 C 2 f(0) Ryd( 5f) 0.00001 7.77772 94 C 2 f(c1) Ryd( 4f) 0.00062 3.98273 95 C 2 f(c1) Ryd( 5f) 0.00002 7.94557 96 C 2 f(s1) Ryd( 4f) 0.00066 3.30249 97 C 2 f(s1) Ryd( 5f) 0.00001 7.77993 98 C 2 f(c2) Ryd( 4f) 0.00022 3.21064 99 C 2 f(c2) Ryd( 5f) 0.00002 7.60205 100 C 2 f(s2) Ryd( 4f) 0.00033 3.47600 101 C 2 f(s2) Ryd( 5f) 0.00001 7.68689 102 C 2 f(c3) Ryd( 4f) 0.00032 2.82535 103 C 2 f(c3) Ryd( 5f) 0.00001 7.21564 104 C 2 f(s3) Ryd( 4f) 0.00034 3.15439 105 C 2 f(s3) Ryd( 5f) 0.00002 7.42146 106 C 2 g(0) Ryd( 5g) 0.00012 6.16224 107 C 2 g(c1) Ryd( 5g) 0.00014 6.40569 108 C 2 g(s1) Ryd( 5g) 0.00008 6.04656 109 C 2 g(c2) Ryd( 5g) 0.00006 6.14218 110 C 2 g(s2) Ryd( 5g) 0.00009 6.19990 111 C 2 g(c3) Ryd( 5g) 0.00006 6.06420 112 C 2 g(s3) Ryd( 5g) 0.00004 6.13224 113 C 2 g(c4) Ryd( 5g) 0.00002 5.85669 114 C 2 g(s4) Ryd( 5g) 0.00002 6.00342 115 C 3 s Cor( 1s) 1.99997 -10.22928 116 C 3 s Val( 2s) 1.00776 -0.18576 117 C 3 s Ryd( 4s) 0.00150 4.70705 118 C 3 s Ryd( 3s) 0.00010 4.20392 119 C 3 s Ryd( 5s) 0.00001 11.79888 120 C 3 s Ryd( 6s) 0.00000 14.53380 121 C 3 s Ryd( 7s) 0.00000 128.58262 122 C 3 px Val( 2p) 1.10385 -0.05656 123 C 3 px Ryd( 3p) 0.00474 1.42068 124 C 3 px Ryd( 4p) 0.00061 1.36330 125 C 3 px Ryd( 5p) 0.00004 5.15181 126 C 3 py Val( 2p) 0.95621 -0.12259 127 C 3 py Ryd( 3p) 0.00261 1.00843 128 C 3 py Ryd( 4p) 0.00040 1.38366 129 C 3 py Ryd( 5p) 0.00002 4.46593 130 C 3 pz Val( 2p) 1.06940 -0.04694 131 C 3 pz Ryd( 3p) 0.00505 1.44129 132 C 3 pz Ryd( 4p) 0.00026 1.17099 133 C 3 pz Ryd( 5p) 0.00005 5.23052 134 C 3 dxy Ryd( 3d) 0.00159 2.45656 135 C 3 dxy Ryd( 4d) 0.00033 3.51879 136 C 3 dxy Ryd( 5d) 0.00001 7.73680 137 C 3 dxz Ryd( 3d) 0.00055 2.94570 138 C 3 dxz Ryd( 4d) 0.00073 4.53044 139 C 3 dxz Ryd( 5d) 0.00001 7.68625 140 C 3 dyz Ryd( 3d) 0.00130 2.24589 141 C 3 dyz Ryd( 4d) 0.00033 3.35068 142 C 3 dyz Ryd( 5d) 0.00001 7.25308 143 C 3 dx2y2 Ryd( 3d) 0.00242 2.93216 144 C 3 dx2y2 Ryd( 4d) 0.00036 3.40048 145 C 3 dx2y2 Ryd( 5d) 0.00001 7.52705 146 C 3 dz2 Ryd( 3d) 0.00123 4.47773 147 C 3 dz2 Ryd( 4d) 0.00044 4.21359 148 C 3 dz2 Ryd( 5d) 0.00001 7.22547 149 C 3 f(0) Ryd( 4f) 0.00056 4.01802 150 C 3 f(0) Ryd( 5f) 0.00002 7.94201 151 C 3 f(c1) Ryd( 4f) 0.00044 3.88860 152 C 3 f(c1) Ryd( 5f) 0.00003 8.04668 153 C 3 f(s1) Ryd( 4f) 0.00020 3.12943 154 C 3 f(s1) Ryd( 5f) 0.00001 7.62091 155 C 3 f(c2) Ryd( 4f) 0.00046 3.39463 156 C 3 f(c2) Ryd( 5f) 0.00001 7.70379 157 C 3 f(s2) Ryd( 4f) 0.00044 3.36789 158 C 3 f(s2) Ryd( 5f) 0.00001 7.51386 159 C 3 f(c3) Ryd( 4f) 0.00060 2.94401 160 C 3 f(c3) Ryd( 5f) 0.00001 7.63369 161 C 3 f(s3) Ryd( 4f) 0.00043 3.20489 162 C 3 f(s3) Ryd( 5f) 0.00001 7.56461 163 C 3 g(0) Ryd( 5g) 0.00013 6.17443 164 C 3 g(c1) Ryd( 5g) 0.00015 6.36631 165 C 3 g(s1) Ryd( 5g) 0.00008 6.08531 166 C 3 g(c2) Ryd( 5g) 0.00006 6.29109 167 C 3 g(s2) Ryd( 5g) 0.00004 6.21770 168 C 3 g(c3) Ryd( 5g) 0.00008 5.97324 169 C 3 g(s3) Ryd( 5g) 0.00007 6.02678 170 C 3 g(c4) Ryd( 5g) 0.00000 5.91788 171 C 3 g(s4) Ryd( 5g) 0.00003 6.05935 172 C 4 s Cor( 1s) 1.99997 -10.22645 173 C 4 s Val( 2s) 0.99874 -0.19193 174 C 4 s Ryd( 3s) 0.00176 4.94366 175 C 4 s Ryd( 4s) 0.00009 5.47210 176 C 4 s Ryd( 5s) 0.00001 10.47331 177 C 4 s Ryd( 6s) 0.00000 13.25028 178 C 4 s Ryd( 7s) 0.00000 130.07430 179 C 4 px Val( 2p) 1.03418 -0.06755 180 C 4 px Ryd( 3p) 0.00455 1.47309 181 C 4 px Ryd( 4p) 0.00027 1.30250 182 C 4 px Ryd( 5p) 0.00005 4.81878 183 C 4 py Val( 2p) 1.04066 -0.12622 184 C 4 py Ryd( 3p) 0.00295 1.06695 185 C 4 py Ryd( 4p) 0.00041 1.24870 186 C 4 py Ryd( 5p) 0.00003 4.34337 187 C 4 pz Val( 2p) 1.17606 -0.06265 188 C 4 pz Ryd( 3p) 0.00467 1.60312 189 C 4 pz Ryd( 4p) 0.00027 2.21872 190 C 4 pz Ryd( 5p) 0.00004 4.88388 191 C 4 dxy Ryd( 3d) 0.00127 2.42615 192 C 4 dxy Ryd( 4d) 0.00043 3.03221 193 C 4 dxy Ryd( 5d) 0.00001 7.02086 194 C 4 dxz Ryd( 3d) 0.00117 4.11022 195 C 4 dxz Ryd( 4d) 0.00051 4.90395 196 C 4 dxz Ryd( 5d) 0.00001 7.65996 197 C 4 dyz Ryd( 3d) 0.00224 2.40491 198 C 4 dyz Ryd( 4d) 0.00017 3.49810 199 C 4 dyz Ryd( 5d) 0.00001 7.07558 200 C 4 dx2y2 Ryd( 3d) 0.00127 2.72719 201 C 4 dx2y2 Ryd( 4d) 0.00038 3.21211 202 C 4 dx2y2 Ryd( 5d) 0.00001 7.07570 203 C 4 dz2 Ryd( 3d) 0.00141 3.41010 204 C 4 dz2 Ryd( 4d) 0.00048 5.03352 205 C 4 dz2 Ryd( 5d) 0.00001 8.44351 206 C 4 f(0) Ryd( 4f) 0.00076 3.81041 207 C 4 f(0) Ryd( 5f) 0.00002 7.83973 208 C 4 f(c1) Ryd( 4f) 0.00065 4.17660 209 C 4 f(c1) Ryd( 5f) 0.00002 7.84602 210 C 4 f(s1) Ryd( 4f) 0.00046 3.26196 211 C 4 f(s1) Ryd( 5f) 0.00001 7.76407 212 C 4 f(c2) Ryd( 4f) 0.00040 3.29806 213 C 4 f(c2) Ryd( 5f) 0.00001 7.54787 214 C 4 f(s2) Ryd( 4f) 0.00057 3.40684 215 C 4 f(s2) Ryd( 5f) 0.00001 7.61985 216 C 4 f(c3) Ryd( 4f) 0.00015 2.85445 217 C 4 f(c3) Ryd( 5f) 0.00001 7.25204 218 C 4 f(s3) Ryd( 4f) 0.00024 3.16728 219 C 4 f(s3) Ryd( 5f) 0.00001 7.38352 220 C 4 g(0) Ryd( 5g) 0.00010 6.18616 221 C 4 g(c1) Ryd( 5g) 0.00015 6.44763 222 C 4 g(s1) Ryd( 5g) 0.00006 6.08274 223 C 4 g(c2) Ryd( 5g) 0.00007 6.12343 224 C 4 g(s2) Ryd( 5g) 0.00012 6.18103 225 C 4 g(c3) Ryd( 5g) 0.00005 6.08199 226 C 4 g(s3) Ryd( 5g) 0.00003 6.11924 227 C 4 g(c4) Ryd( 5g) 0.00001 5.88908 228 C 4 g(s4) Ryd( 5g) 0.00002 6.03845 229 C 5 s Cor( 1s) 1.99997 -10.23605 230 C 5 s Val( 2s) 0.99913 -0.19902 231 C 5 s Ryd( 4s) 0.00213 4.89828 232 C 5 s Ryd( 3s) 0.00010 4.88567 233 C 5 s Ryd( 5s) 0.00001 10.33961 234 C 5 s Ryd( 6s) 0.00000 13.11658 235 C 5 s Ryd( 7s) 0.00000 130.43156 236 C 5 px Val( 2p) 1.14950 -0.07718 237 C 5 px Ryd( 3p) 0.00400 1.52813 238 C 5 px Ryd( 4p) 0.00029 2.29597 239 C 5 px Ryd( 5p) 0.00003 5.00613 240 C 5 py Val( 2p) 1.03291 -0.13261 241 C 5 py Ryd( 3p) 0.00186 1.06057 242 C 5 py Ryd( 4p) 0.00023 1.20816 243 C 5 py Ryd( 5p) 0.00003 4.45926 244 C 5 pz Val( 2p) 1.01029 -0.05967 245 C 5 pz Ryd( 3p) 0.00418 1.63415 246 C 5 pz Ryd( 4p) 0.00018 1.08976 247 C 5 pz Ryd( 5p) 0.00007 4.91103 248 C 5 dxy Ryd( 3d) 0.00365 2.33692 249 C 5 dxy Ryd( 4d) 0.00019 3.92004 250 C 5 dxy Ryd( 5d) 0.00001 7.83330 251 C 5 dxz Ryd( 3d) 0.00201 5.13814 252 C 5 dxz Ryd( 4d) 0.00019 4.64991 253 C 5 dxz Ryd( 5d) 0.00001 7.09878 254 C 5 dyz Ryd( 3d) 0.00033 2.11978 255 C 5 dyz Ryd( 4d) 0.00059 3.10535 256 C 5 dyz Ryd( 5d) 0.00000 6.91604 257 C 5 dx2y2 Ryd( 3d) 0.00191 2.36505 258 C 5 dx2y2 Ryd( 4d) 0.00038 3.99019 259 C 5 dx2y2 Ryd( 5d) 0.00002 8.23036 260 C 5 dz2 Ryd( 3d) 0.00090 2.80021 261 C 5 dz2 Ryd( 4d) 0.00077 4.04974 262 C 5 dz2 Ryd( 5d) 0.00001 7.28416 263 C 5 f(0) Ryd( 4f) 0.00031 3.61496 264 C 5 f(0) Ryd( 5f) 0.00003 7.60817 265 C 5 f(c1) Ryd( 4f) 0.00056 4.36534 266 C 5 f(c1) Ryd( 5f) 0.00002 7.83641 267 C 5 f(s1) Ryd( 4f) 0.00030 3.14473 268 C 5 f(s1) Ryd( 5f) 0.00001 7.26166 269 C 5 f(c2) Ryd( 4f) 0.00037 3.29125 270 C 5 f(c2) Ryd( 5f) 0.00001 7.72991 271 C 5 f(s2) Ryd( 4f) 0.00015 3.25046 272 C 5 f(s2) Ryd( 5f) 0.00001 7.61943 273 C 5 f(c3) Ryd( 4f) 0.00049 3.07448 274 C 5 f(c3) Ryd( 5f) 0.00001 7.68805 275 C 5 f(s3) Ryd( 4f) 0.00092 3.31333 276 C 5 f(s3) Ryd( 5f) 0.00001 7.48973 277 C 5 g(0) Ryd( 5g) 0.00008 6.33161 278 C 5 g(c1) Ryd( 5g) 0.00014 6.23475 279 C 5 g(s1) Ryd( 5g) 0.00003 6.08751 280 C 5 g(c2) Ryd( 5g) 0.00012 6.11482 281 C 5 g(s2) Ryd( 5g) 0.00010 6.09003 282 C 5 g(c3) Ryd( 5g) 0.00002 6.18442 283 C 5 g(s3) Ryd( 5g) 0.00002 6.11905 284 C 5 g(c4) Ryd( 5g) 0.00005 5.85299 285 C 5 g(s4) Ryd( 5g) 0.00003 6.02330 286 C 6 s Cor( 1s) 1.99997 -10.22824 287 C 6 s Val( 2s) 0.99931 -0.19251 288 C 6 s Ryd( 3s) 0.00161 4.98799 289 C 6 s Ryd( 4s) 0.00007 5.56059 290 C 6 s Ryd( 5s) 0.00000 10.58657 291 C 6 s Ryd( 6s) 0.00000 13.11000 292 C 6 s Ryd( 7s) 0.00000 130.31407 293 C 6 px Val( 2p) 1.01804 -0.06529 294 C 6 px Ryd( 3p) 0.00453 1.48872 295 C 6 px Ryd( 4p) 0.00019 1.19124 296 C 6 px Ryd( 5p) 0.00005 4.84542 297 C 6 py Val( 2p) 1.05275 -0.12369 298 C 6 py Ryd( 3p) 0.00237 1.09225 299 C 6 py Ryd( 4p) 0.00034 1.19145 300 C 6 py Ryd( 5p) 0.00003 4.32627 301 C 6 pz Val( 2p) 1.16746 -0.06666 302 C 6 pz Ryd( 3p) 0.00487 1.55495 303 C 6 pz Ryd( 4p) 0.00035 2.36832 304 C 6 pz Ryd( 5p) 0.00004 5.08895 305 C 6 dxy Ryd( 3d) 0.00070 2.63709 306 C 6 dxy Ryd( 4d) 0.00046 3.11919 307 C 6 dxy Ryd( 5d) 0.00001 7.10627 308 C 6 dxz Ryd( 3d) 0.00168 4.43505 309 C 6 dxz Ryd( 4d) 0.00037 4.74300 310 C 6 dxz Ryd( 5d) 0.00001 7.29832 311 C 6 dyz Ryd( 3d) 0.00253 2.27713 312 C 6 dyz Ryd( 4d) 0.00025 3.74386 313 C 6 dyz Ryd( 5d) 0.00001 7.50993 314 C 6 dx2y2 Ryd( 3d) 0.00099 2.35561 315 C 6 dx2y2 Ryd( 4d) 0.00045 3.06647 316 C 6 dx2y2 Ryd( 5d) 0.00001 7.01083 317 C 6 dz2 Ryd( 3d) 0.00145 3.45001 318 C 6 dz2 Ryd( 4d) 0.00045 4.94350 319 C 6 dz2 Ryd( 5d) 0.00001 8.37788 320 C 6 f(0) Ryd( 4f) 0.00056 3.82859 321 C 6 f(0) Ryd( 5f) 0.00002 7.84303 322 C 6 f(c1) Ryd( 4f) 0.00060 4.19880 323 C 6 f(c1) Ryd( 5f) 0.00002 8.03264 324 C 6 f(s1) Ryd( 4f) 0.00079 3.26880 325 C 6 f(s1) Ryd( 5f) 0.00001 7.54243 326 C 6 f(c2) Ryd( 4f) 0.00031 3.37082 327 C 6 f(c2) Ryd( 5f) 0.00001 7.63003 328 C 6 f(s2) Ryd( 4f) 0.00025 3.24918 329 C 6 f(s2) Ryd( 5f) 0.00002 7.57854 330 C 6 f(c3) Ryd( 4f) 0.00034 2.86620 331 C 6 f(c3) Ryd( 5f) 0.00001 7.25086 332 C 6 f(s3) Ryd( 4f) 0.00035 3.17184 333 C 6 f(s3) Ryd( 5f) 0.00001 7.36779 334 C 6 g(0) Ryd( 5g) 0.00009 6.17656 335 C 6 g(c1) Ryd( 5g) 0.00018 6.42132 336 C 6 g(s1) Ryd( 5g) 0.00005 6.14645 337 C 6 g(c2) Ryd( 5g) 0.00009 6.14655 338 C 6 g(s2) Ryd( 5g) 0.00008 6.09064 339 C 6 g(c3) Ryd( 5g) 0.00002 6.17480 340 C 6 g(s3) Ryd( 5g) 0.00005 6.09827 341 C 6 g(c4) Ryd( 5g) 0.00002 5.87099 342 C 6 g(s4) Ryd( 5g) 0.00003 6.00013 343 C 7 s Cor( 1s) 1.99997 -10.22008 344 C 7 s Val( 2s) 1.01112 -0.19190 345 C 7 s Ryd( 4s) 0.00187 4.71680 346 C 7 s Ryd( 3s) 0.00013 3.95423 347 C 7 s Ryd( 5s) 0.00001 12.27348 348 C 7 s Ryd( 6s) 0.00000 12.64955 349 C 7 s Ryd( 7s) 0.00000 130.99675 350 C 7 px Val( 2p) 1.18545 -0.06484 351 C 7 px Ryd( 3p) 0.00450 1.51754 352 C 7 px Ryd( 4p) 0.00059 1.89015 353 C 7 px Ryd( 5p) 0.00004 4.95073 354 C 7 py Val( 2p) 1.02432 -0.12050 355 C 7 py Ryd( 3p) 0.00289 1.12860 356 C 7 py Ryd( 4p) 0.00050 1.59280 357 C 7 py Ryd( 5p) 0.00002 4.63132 358 C 7 pz Val( 2p) 0.99166 -0.04724 359 C 7 pz Ryd( 3p) 0.00517 1.53958 360 C 7 pz Ryd( 4p) 0.00019 1.01588 361 C 7 pz Ryd( 5p) 0.00007 4.96360 362 C 7 dxy Ryd( 3d) 0.00226 2.32709 363 C 7 dxy Ryd( 4d) 0.00033 3.84838 364 C 7 dxy Ryd( 5d) 0.00001 8.07814 365 C 7 dxz Ryd( 3d) 0.00100 4.61624 366 C 7 dxz Ryd( 4d) 0.00051 4.53256 367 C 7 dxz Ryd( 5d) 0.00001 7.22328 368 C 7 dyz Ryd( 3d) 0.00126 2.40225 369 C 7 dyz Ryd( 4d) 0.00047 3.23514 370 C 7 dyz Ryd( 5d) 0.00001 6.93729 371 C 7 dx2y2 Ryd( 3d) 0.00362 2.30653 372 C 7 dx2y2 Ryd( 4d) 0.00031 4.04246 373 C 7 dx2y2 Ryd( 5d) 0.00001 8.18600 374 C 7 dz2 Ryd( 3d) 0.00080 2.75663 375 C 7 dz2 Ryd( 4d) 0.00069 4.09258 376 C 7 dz2 Ryd( 5d) 0.00001 7.28375 377 C 7 f(0) Ryd( 4f) 0.00027 3.67510 378 C 7 f(0) Ryd( 5f) 0.00003 7.62419 379 C 7 f(c1) Ryd( 4f) 0.00069 4.30200 380 C 7 f(c1) Ryd( 5f) 0.00002 7.76943 381 C 7 f(s1) Ryd( 4f) 0.00013 3.22439 382 C 7 f(s1) Ryd( 5f) 0.00001 7.33705 383 C 7 f(c2) Ryd( 4f) 0.00014 3.30377 384 C 7 f(c2) Ryd( 5f) 0.00001 7.70338 385 C 7 f(s2) Ryd( 4f) 0.00039 3.35365 386 C 7 f(s2) Ryd( 5f) 0.00001 7.68171 387 C 7 f(c3) Ryd( 4f) 0.00078 3.06485 388 C 7 f(c3) Ryd( 5f) 0.00001 7.78913 389 C 7 f(s3) Ryd( 4f) 0.00063 3.30614 390 C 7 f(s3) Ryd( 5f) 0.00001 7.52023 391 C 7 g(0) Ryd( 5g) 0.00008 6.32475 392 C 7 g(c1) Ryd( 5g) 0.00015 6.23469 393 C 7 g(s1) Ryd( 5g) 0.00003 6.12864 394 C 7 g(c2) Ryd( 5g) 0.00010 6.13505 395 C 7 g(s2) Ryd( 5g) 0.00012 6.10297 396 C 7 g(c3) Ryd( 5g) 0.00003 6.19576 397 C 7 g(s3) Ryd( 5g) 0.00002 6.13478 398 C 7 g(c4) Ryd( 5g) 0.00005 5.87171 399 C 7 g(s4) Ryd( 5g) 0.00004 6.03667 400 C 8 s Cor( 1s) 1.99997 -10.22954 401 C 8 s Val( 2s) 1.00269 -0.18746 402 C 8 s Ryd( 3s) 0.00144 4.97043 403 C 8 s Ryd( 4s) 0.00007 5.29368 404 C 8 s Ryd( 5s) 0.00001 11.20258 405 C 8 s Ryd( 6s) 0.00000 14.02944 406 C 8 s Ryd( 7s) 0.00000 128.84217 407 C 8 px Val( 2p) 1.00206 -0.05816 408 C 8 px Ryd( 3p) 0.00444 1.48106 409 C 8 px Ryd( 4p) 0.00020 1.15194 410 C 8 px Ryd( 5p) 0.00005 4.87620 411 C 8 py Val( 2p) 1.00001 -0.12188 412 C 8 py Ryd( 3p) 0.00243 1.03461 413 C 8 py Ryd( 4p) 0.00041 1.51021 414 C 8 py Ryd( 5p) 0.00002 4.46315 415 C 8 pz Val( 2p) 1.16959 -0.05789 416 C 8 pz Ryd( 3p) 0.00473 1.47990 417 C 8 pz Ryd( 4p) 0.00019 1.81716 418 C 8 pz Ryd( 5p) 0.00004 4.98051 419 C 8 dxy Ryd( 3d) 0.00122 3.10724 420 C 8 dxy Ryd( 4d) 0.00035 3.40927 421 C 8 dxy Ryd( 5d) 0.00001 7.27251 422 C 8 dxz Ryd( 3d) 0.00117 3.92099 423 C 8 dxz Ryd( 4d) 0.00043 4.59394 424 C 8 dxz Ryd( 5d) 0.00001 7.33647 425 C 8 dyz Ryd( 3d) 0.00189 2.08653 426 C 8 dyz Ryd( 4d) 0.00030 3.60416 427 C 8 dyz Ryd( 5d) 0.00001 7.65122 428 C 8 dx2y2 Ryd( 3d) 0.00172 2.32460 429 C 8 dx2y2 Ryd( 4d) 0.00047 2.96389 430 C 8 dx2y2 Ryd( 5d) 0.00001 7.06061 431 C 8 dz2 Ryd( 3d) 0.00144 3.76626 432 C 8 dz2 Ryd( 4d) 0.00038 4.82998 433 C 8 dz2 Ryd( 5d) 0.00001 8.09538 434 C 8 f(0) Ryd( 4f) 0.00061 3.68045 435 C 8 f(0) Ryd( 5f) 0.00002 7.92856 436 C 8 f(c1) Ryd( 4f) 0.00060 4.13007 437 C 8 f(c1) Ryd( 5f) 0.00002 7.99551 438 C 8 f(s1) Ryd( 4f) 0.00057 3.34641 439 C 8 f(s1) Ryd( 5f) 0.00001 7.49896 440 C 8 f(c2) Ryd( 4f) 0.00048 3.32754 441 C 8 f(c2) Ryd( 5f) 0.00001 7.61301 442 C 8 f(s2) Ryd( 4f) 0.00044 3.31636 443 C 8 f(s2) Ryd( 5f) 0.00001 7.56058 444 C 8 f(c3) Ryd( 4f) 0.00020 2.82073 445 C 8 f(c3) Ryd( 5f) 0.00001 7.33481 446 C 8 f(s3) Ryd( 4f) 0.00028 3.22982 447 C 8 f(s3) Ryd( 5f) 0.00001 7.51313 448 C 8 g(0) Ryd( 5g) 0.00009 6.19457 449 C 8 g(c1) Ryd( 5g) 0.00017 6.38924 450 C 8 g(s1) Ryd( 5g) 0.00005 6.14646 451 C 8 g(c2) Ryd( 5g) 0.00012 6.06967 452 C 8 g(s2) Ryd( 5g) 0.00009 6.07943 453 C 8 g(c3) Ryd( 5g) 0.00002 6.17270 454 C 8 g(s3) Ryd( 5g) 0.00004 6.06646 455 C 8 g(c4) Ryd( 5g) 0.00002 5.88759 456 C 8 g(s4) Ryd( 5g) 0.00002 6.05828 457 C 9 s Cor( 1s) 1.99997 -10.24055 458 C 9 s Val( 2s) 1.00320 -0.19815 459 C 9 s Ryd( 3s) 0.00191 4.76741 460 C 9 s Ryd( 4s) 0.00007 4.90626 461 C 9 s Ryd( 5s) 0.00001 11.08819 462 C 9 s Ryd( 6s) 0.00000 13.24174 463 C 9 s Ryd( 7s) 0.00000 129.41399 464 C 9 px Val( 2p) 1.09388 -0.08479 465 C 9 px Ryd( 3p) 0.00415 1.41546 466 C 9 px Ryd( 4p) 0.00026 1.76447 467 C 9 px Ryd( 5p) 0.00004 5.08452 468 C 9 py Val( 2p) 1.00656 -0.12750 469 C 9 py Ryd( 3p) 0.00266 1.09649 470 C 9 py Ryd( 4p) 0.00028 1.07112 471 C 9 py Ryd( 5p) 0.00003 4.42516 472 C 9 pz Val( 2p) 1.08426 -0.06519 473 C 9 pz Ryd( 3p) 0.00466 1.47132 474 C 9 pz Ryd( 4p) 0.00012 1.40872 475 C 9 pz Ryd( 5p) 0.00005 5.00135 476 C 9 dxy Ryd( 3d) 0.00265 3.10375 477 C 9 dxy Ryd( 4d) 0.00029 3.49295 478 C 9 dxy Ryd( 5d) 0.00001 7.56871 479 C 9 dxz Ryd( 3d) 0.00080 2.77593 480 C 9 dxz Ryd( 4d) 0.00074 4.62379 481 C 9 dxz Ryd( 5d) 0.00001 8.04202 482 C 9 dyz Ryd( 3d) 0.00133 2.13293 483 C 9 dyz Ryd( 4d) 0.00040 3.24030 484 C 9 dyz Ryd( 5d) 0.00001 6.96534 485 C 9 dx2y2 Ryd( 3d) 0.00151 2.47043 486 C 9 dx2y2 Ryd( 4d) 0.00028 3.53306 487 C 9 dx2y2 Ryd( 5d) 0.00001 7.46754 488 C 9 dz2 Ryd( 3d) 0.00141 4.46245 489 C 9 dz2 Ryd( 4d) 0.00035 4.25985 490 C 9 dz2 Ryd( 5d) 0.00001 7.22451 491 C 9 f(0) Ryd( 4f) 0.00054 3.86075 492 C 9 f(0) Ryd( 5f) 0.00002 7.86493 493 C 9 f(c1) Ryd( 4f) 0.00043 3.87872 494 C 9 f(c1) Ryd( 5f) 0.00002 7.88975 495 C 9 f(s1) Ryd( 4f) 0.00039 3.26931 496 C 9 f(s1) Ryd( 5f) 0.00002 7.54656 497 C 9 f(c2) Ryd( 4f) 0.00036 3.34493 498 C 9 f(c2) Ryd( 5f) 0.00000 7.39069 499 C 9 f(s2) Ryd( 4f) 0.00056 3.41129 500 C 9 f(s2) Ryd( 5f) 0.00001 7.65127 501 C 9 f(c3) Ryd( 4f) 0.00039 2.88843 502 C 9 f(c3) Ryd( 5f) 0.00001 7.52949 503 C 9 f(s3) Ryd( 4f) 0.00052 3.30290 504 C 9 f(s3) Ryd( 5f) 0.00001 7.61613 505 C 9 g(0) Ryd( 5g) 0.00012 6.24861 506 C 9 g(c1) Ryd( 5g) 0.00013 6.25850 507 C 9 g(s1) Ryd( 5g) 0.00007 6.11628 508 C 9 g(c2) Ryd( 5g) 0.00007 6.17962 509 C 9 g(s2) Ryd( 5g) 0.00008 6.22958 510 C 9 g(c3) Ryd( 5g) 0.00008 6.03493 511 C 9 g(s3) Ryd( 5g) 0.00005 5.97420 512 C 9 g(c4) Ryd( 5g) 0.00001 5.91975 513 C 9 g(s4) Ryd( 5g) 0.00003 6.08793 514 C 10 s Cor( 1s) 1.99997 -10.23949 515 C 10 s Val( 2s) 1.00196 -0.19932 516 C 10 s Ryd( 3s) 0.00182 4.79342 517 C 10 s Ryd( 4s) 0.00007 4.94981 518 C 10 s Ryd( 5s) 0.00001 10.94568 519 C 10 s Ryd( 6s) 0.00000 13.61463 520 C 10 s Ryd( 7s) 0.00000 129.28325 521 C 10 px Val( 2p) 1.09195 -0.08589 522 C 10 px Ryd( 3p) 0.00426 1.41951 523 C 10 px Ryd( 4p) 0.00027 1.72907 524 C 10 px Ryd( 5p) 0.00004 5.10491 525 C 10 py Val( 2p) 1.05968 -0.12669 526 C 10 py Ryd( 3p) 0.00260 1.10950 527 C 10 py Ryd( 4p) 0.00023 1.18295 528 C 10 py Ryd( 5p) 0.00002 4.42885 529 C 10 pz Val( 2p) 1.04661 -0.06724 530 C 10 pz Ryd( 3p) 0.00469 1.48795 531 C 10 pz Ryd( 4p) 0.00016 1.30079 532 C 10 pz Ryd( 5p) 0.00005 4.99823 533 C 10 dxy Ryd( 3d) 0.00205 2.73504 534 C 10 dxy Ryd( 4d) 0.00038 3.89289 535 C 10 dxy Ryd( 5d) 0.00001 8.13778 536 C 10 dxz Ryd( 3d) 0.00141 3.04218 537 C 10 dxz Ryd( 4d) 0.00067 4.28250 538 C 10 dxz Ryd( 5d) 0.00001 7.47730 539 C 10 dyz Ryd( 3d) 0.00087 2.43682 540 C 10 dyz Ryd( 4d) 0.00046 3.49008 541 C 10 dyz Ryd( 5d) 0.00001 7.36423 542 C 10 dx2y2 Ryd( 3d) 0.00205 2.49128 543 C 10 dx2y2 Ryd( 4d) 0.00020 3.47608 544 C 10 dx2y2 Ryd( 5d) 0.00001 7.23632 545 C 10 dz2 Ryd( 3d) 0.00142 4.16872 546 C 10 dz2 Ryd( 4d) 0.00035 4.16898 547 C 10 dz2 Ryd( 5d) 0.00001 7.04906 548 C 10 f(0) Ryd( 4f) 0.00047 3.90604 549 C 10 f(0) Ryd( 5f) 0.00002 7.74850 550 C 10 f(c1) Ryd( 4f) 0.00031 3.77612 551 C 10 f(c1) Ryd( 5f) 0.00002 7.88974 552 C 10 f(s1) Ryd( 4f) 0.00029 3.27764 553 C 10 f(s1) Ryd( 5f) 0.00001 7.57568 554 C 10 f(c2) Ryd( 4f) 0.00043 3.34625 555 C 10 f(c2) Ryd( 5f) 0.00001 7.58747 556 C 10 f(s2) Ryd( 4f) 0.00047 3.47075 557 C 10 f(s2) Ryd( 5f) 0.00001 7.42647 558 C 10 f(c3) Ryd( 4f) 0.00060 2.96346 559 C 10 f(c3) Ryd( 5f) 0.00001 7.68374 560 C 10 f(s3) Ryd( 4f) 0.00055 3.29260 561 C 10 f(s3) Ryd( 5f) 0.00001 7.53936 562 C 10 g(0) Ryd( 5g) 0.00013 6.13974 563 C 10 g(c1) Ryd( 5g) 0.00011 6.42709 564 C 10 g(s1) Ryd( 5g) 0.00008 6.12089 565 C 10 g(c2) Ryd( 5g) 0.00003 6.24419 566 C 10 g(s2) Ryd( 5g) 0.00005 6.14902 567 C 10 g(c3) Ryd( 5g) 0.00012 5.97372 568 C 10 g(s3) Ryd( 5g) 0.00006 6.01679 569 C 10 g(c4) Ryd( 5g) 0.00001 5.94712 570 C 10 g(s4) Ryd( 5g) 0.00003 6.05772 571 H 11 s Val( 1s) 0.72244 0.07001 572 H 11 s Ryd( 3s) 0.00085 1.55662 573 H 11 s Ryd( 2s) 0.00032 1.23212 574 H 11 s Ryd( 4s) 0.00001 6.49800 575 H 11 px Ryd( 2p) 0.00066 3.80185 576 H 11 px Ryd( 3p) 0.00012 5.50398 577 H 11 px Ryd( 4p) 0.00001 9.09360 578 H 11 py Ryd( 2p) 0.00026 2.36409 579 H 11 py Ryd( 3p) 0.00006 3.40352 580 H 11 py Ryd( 4p) 0.00001 8.16070 581 H 11 pz Ryd( 2p) 0.00045 3.09996 582 H 11 pz Ryd( 3p) 0.00007 4.73980 583 H 11 pz Ryd( 4p) 0.00001 8.53856 584 H 11 dxy Ryd( 3d) 0.00008 3.69341 585 H 11 dxy Ryd( 4d) 0.00000 9.85230 586 H 11 dxz Ryd( 3d) 0.00012 4.14302 587 H 11 dxz Ryd( 4d) 0.00001 11.35404 588 H 11 dyz Ryd( 3d) 0.00005 3.33554 589 H 11 dyz Ryd( 4d) 0.00000 9.44732 590 H 11 dx2y2 Ryd( 3d) 0.00008 3.76012 591 H 11 dx2y2 Ryd( 4d) 0.00000 10.41621 592 H 11 dz2 Ryd( 3d) 0.00008 3.70703 593 H 11 dz2 Ryd( 4d) 0.00000 10.10953 594 H 11 f(0) Ryd( 4f) 0.00001 7.61749 595 H 11 f(c1) Ryd( 4f) 0.00002 7.62221 596 H 11 f(s1) Ryd( 4f) 0.00000 7.37092 597 H 11 f(c2) Ryd( 4f) 0.00003 7.32280 598 H 11 f(s2) Ryd( 4f) 0.00000 7.29291 599 H 11 f(c3) Ryd( 4f) 0.00001 7.52273 600 H 11 f(s3) Ryd( 4f) 0.00001 7.51733 601 H 12 s Val( 1s) 0.72919 0.05741 602 H 12 s Ryd( 3s) 0.00061 1.76490 603 H 12 s Ryd( 2s) 0.00019 1.10032 604 H 12 s Ryd( 4s) 0.00001 6.44418 605 H 12 px Ryd( 2p) 0.00035 2.69206 606 H 12 px Ryd( 3p) 0.00008 3.53643 607 H 12 px Ryd( 4p) 0.00001 8.17706 608 H 12 py Ryd( 2p) 0.00020 2.36074 609 H 12 py Ryd( 3p) 0.00008 3.10861 610 H 12 py Ryd( 4p) 0.00001 8.13722 611 H 12 pz Ryd( 2p) 0.00069 4.36745 612 H 12 pz Ryd( 3p) 0.00007 6.69612 613 H 12 pz Ryd( 4p) 0.00001 9.60230 614 H 12 dxy Ryd( 3d) 0.00002 3.12325 615 H 12 dxy Ryd( 4d) 0.00000 9.18803 616 H 12 dxz Ryd( 3d) 0.00011 4.05505 617 H 12 dxz Ryd( 4d) 0.00000 10.80956 618 H 12 dyz Ryd( 3d) 0.00010 3.85318 619 H 12 dyz Ryd( 4d) 0.00000 10.11415 620 H 12 dx2y2 Ryd( 3d) 0.00002 3.10289 621 H 12 dx2y2 Ryd( 4d) 0.00000 9.21925 622 H 12 dz2 Ryd( 3d) 0.00015 4.58963 623 H 12 dz2 Ryd( 4d) 0.00001 11.66692 624 H 12 f(0) Ryd( 4f) 0.00003 7.71169 625 H 12 f(c1) Ryd( 4f) 0.00003 7.78821 626 H 12 f(s1) Ryd( 4f) 0.00001 7.64719 627 H 12 f(c2) Ryd( 4f) 0.00001 7.68734 628 H 12 f(s2) Ryd( 4f) 0.00000 7.61747 629 H 12 f(c3) Ryd( 4f) 0.00000 6.90078 630 H 12 f(s3) Ryd( 4f) 0.00000 6.92255 631 H 13 s Val( 1s) 0.72742 0.06654 632 H 13 s Ryd( 2s) 0.00110 1.36032 633 H 13 s Ryd( 3s) 0.00031 1.46336 634 H 13 s Ryd( 4s) 0.00001 6.44348 635 H 13 px Ryd( 2p) 0.00072 3.54104 636 H 13 px Ryd( 3p) 0.00012 5.15845 637 H 13 px Ryd( 4p) 0.00001 8.83957 638 H 13 py Ryd( 2p) 0.00033 2.65117 639 H 13 py Ryd( 3p) 0.00006 4.13136 640 H 13 py Ryd( 4p) 0.00001 8.39915 641 H 13 pz Ryd( 2p) 0.00043 3.08151 642 H 13 pz Ryd( 3p) 0.00009 4.50427 643 H 13 pz Ryd( 4p) 0.00001 8.46325 644 H 13 dxy Ryd( 3d) 0.00008 3.84345 645 H 13 dxy Ryd( 4d) 0.00000 10.28856 646 H 13 dxz Ryd( 3d) 0.00009 3.84573 647 H 13 dxz Ryd( 4d) 0.00000 11.04252 648 H 13 dyz Ryd( 3d) 0.00006 3.51125 649 H 13 dyz Ryd( 4d) 0.00000 9.83810 650 H 13 dx2y2 Ryd( 3d) 0.00008 3.74181 651 H 13 dx2y2 Ryd( 4d) 0.00000 10.11876 652 H 13 dz2 Ryd( 3d) 0.00008 3.70320 653 H 13 dz2 Ryd( 4d) 0.00000 10.13695 654 H 13 f(0) Ryd( 4f) 0.00001 7.60437 655 H 13 f(c1) Ryd( 4f) 0.00001 7.53719 656 H 13 f(s1) Ryd( 4f) 0.00000 7.43806 657 H 13 f(c2) Ryd( 4f) 0.00001 7.29342 658 H 13 f(s2) Ryd( 4f) 0.00002 7.32255 659 H 13 f(c3) Ryd( 4f) 0.00000 7.44299 660 H 13 f(s3) Ryd( 4f) 0.00002 7.62502 661 H 14 s Val( 1s) 0.73980 0.04446 662 H 14 s Ryd( 3s) 0.00044 1.89470 663 H 14 s Ryd( 2s) 0.00024 0.97746 664 H 14 s Ryd( 4s) 0.00001 6.31133 665 H 14 px Ryd( 2p) 0.00030 2.81365 666 H 14 px Ryd( 3p) 0.00005 3.79369 667 H 14 px Ryd( 4p) 0.00001 8.19906 668 H 14 py Ryd( 2p) 0.00014 2.45256 669 H 14 py Ryd( 3p) 0.00015 3.18464 670 H 14 py Ryd( 4p) 0.00001 8.14246 671 H 14 pz Ryd( 2p) 0.00062 4.40376 672 H 14 pz Ryd( 3p) 0.00008 6.07264 673 H 14 pz Ryd( 4p) 0.00001 9.51442 674 H 14 dxy Ryd( 3d) 0.00003 3.17861 675 H 14 dxy Ryd( 4d) 0.00000 9.19798 676 H 14 dxz Ryd( 3d) 0.00014 4.16135 677 H 14 dxz Ryd( 4d) 0.00000 10.86567 678 H 14 dyz Ryd( 3d) 0.00012 3.88454 679 H 14 dyz Ryd( 4d) 0.00000 9.97037 680 H 14 dx2y2 Ryd( 3d) 0.00003 3.21464 681 H 14 dx2y2 Ryd( 4d) 0.00000 9.27883 682 H 14 dz2 Ryd( 3d) 0.00014 4.39676 683 H 14 dz2 Ryd( 4d) 0.00001 11.53888 684 H 14 f(0) Ryd( 4f) 0.00003 7.71826 685 H 14 f(c1) Ryd( 4f) 0.00004 7.76884 686 H 14 f(s1) Ryd( 4f) 0.00001 7.63455 687 H 14 f(c2) Ryd( 4f) 0.00001 7.65996 688 H 14 f(s2) Ryd( 4f) 0.00000 7.55805 689 H 14 f(c3) Ryd( 4f) 0.00000 6.95050 690 H 14 f(s3) Ryd( 4f) 0.00000 6.95222 691 H 15 s Val( 1s) 0.75736 0.02530 692 H 15 s Ryd( 3s) 0.00050 1.93058 693 H 15 s Ryd( 2s) 0.00018 1.02092 694 H 15 s Ryd( 4s) 0.00001 6.28540 695 H 15 px Ryd( 2p) 0.00067 4.40767 696 H 15 px Ryd( 3p) 0.00009 6.83928 697 H 15 px Ryd( 4p) 0.00001 9.86512 698 H 15 py Ryd( 2p) 0.00032 2.76763 699 H 15 py Ryd( 3p) 0.00008 3.27275 700 H 15 py Ryd( 4p) 0.00001 8.27423 701 H 15 pz Ryd( 2p) 0.00032 2.62141 702 H 15 pz Ryd( 3p) 0.00006 3.36787 703 H 15 pz Ryd( 4p) 0.00001 7.84928 704 H 15 dxy Ryd( 3d) 0.00010 4.04008 705 H 15 dxy Ryd( 4d) 0.00001 10.28204 706 H 15 dxz Ryd( 3d) 0.00011 3.98761 707 H 15 dxz Ryd( 4d) 0.00000 10.26261 708 H 15 dyz Ryd( 3d) 0.00003 3.11186 709 H 15 dyz Ryd( 4d) 0.00000 9.17636 710 H 15 dx2y2 Ryd( 3d) 0.00015 4.30890 711 H 15 dx2y2 Ryd( 4d) 0.00001 10.36255 712 H 15 dz2 Ryd( 3d) 0.00005 3.47274 713 H 15 dz2 Ryd( 4d) 0.00000 9.63962 714 H 15 f(0) Ryd( 4f) 0.00000 7.12574 715 H 15 f(c1) Ryd( 4f) 0.00002 7.66262 716 H 15 f(s1) Ryd( 4f) 0.00000 6.93195 717 H 15 f(c2) Ryd( 4f) 0.00001 7.60128 718 H 15 f(s2) Ryd( 4f) 0.00000 7.64796 719 H 15 f(c3) Ryd( 4f) 0.00001 7.52315 720 H 15 f(s3) Ryd( 4f) 0.00003 7.74197 721 H 16 s Val( 1s) 0.73683 0.04760 722 H 16 s Ryd( 3s) 0.00044 1.89930 723 H 16 s Ryd( 2s) 0.00019 1.04635 724 H 16 s Ryd( 4s) 0.00001 6.30501 725 H 16 px Ryd( 2p) 0.00027 2.66120 726 H 16 px Ryd( 3p) 0.00005 3.58506 727 H 16 px Ryd( 4p) 0.00001 8.10660 728 H 16 py Ryd( 2p) 0.00016 2.55429 729 H 16 py Ryd( 3p) 0.00014 3.14179 730 H 16 py Ryd( 4p) 0.00001 8.28864 731 H 16 pz Ryd( 2p) 0.00064 4.37355 732 H 16 pz Ryd( 3p) 0.00008 6.42809 733 H 16 pz Ryd( 4p) 0.00001 9.54921 734 H 16 dxy Ryd( 3d) 0.00003 3.18394 735 H 16 dxy Ryd( 4d) 0.00000 9.28621 736 H 16 dxz Ryd( 3d) 0.00013 4.03612 737 H 16 dxz Ryd( 4d) 0.00000 10.54310 738 H 16 dyz Ryd( 3d) 0.00010 3.86277 739 H 16 dyz Ryd( 4d) 0.00000 10.35836 740 H 16 dx2y2 Ryd( 3d) 0.00003 3.14488 741 H 16 dx2y2 Ryd( 4d) 0.00000 9.20708 742 H 16 dz2 Ryd( 3d) 0.00017 4.54553 743 H 16 dz2 Ryd( 4d) 0.00001 11.47102 744 H 16 f(0) Ryd( 4f) 0.00003 7.73825 745 H 16 f(c1) Ryd( 4f) 0.00002 7.73016 746 H 16 f(s1) Ryd( 4f) 0.00002 7.66264 747 H 16 f(c2) Ryd( 4f) 0.00000 7.53072 748 H 16 f(s2) Ryd( 4f) 0.00001 7.62840 749 H 16 f(c3) Ryd( 4f) 0.00000 6.95811 750 H 16 f(s3) Ryd( 4f) 0.00000 6.98406 751 H 17 s Val( 1s) 0.71577 0.07031 752 H 17 s Ryd( 2s) 0.00180 1.19649 753 H 17 s Ryd( 3s) 0.00042 1.76053 754 H 17 s Ryd( 4s) 0.00002 6.35406 755 H 17 px Ryd( 2p) 0.00080 4.27286 756 H 17 px Ryd( 3p) 0.00013 6.17995 757 H 17 px Ryd( 4p) 0.00001 9.48602 758 H 17 py Ryd( 2p) 0.00028 2.58208 759 H 17 py Ryd( 3p) 0.00006 4.22557 760 H 17 py Ryd( 4p) 0.00001 8.38400 761 H 17 pz Ryd( 2p) 0.00036 2.42578 762 H 17 pz Ryd( 3p) 0.00007 3.54758 763 H 17 pz Ryd( 4p) 0.00001 7.98597 764 H 17 dxy Ryd( 3d) 0.00015 4.24459 765 H 17 dxy Ryd( 4d) 0.00001 10.35807 766 H 17 dxz Ryd( 3d) 0.00012 3.88535 767 H 17 dxz Ryd( 4d) 0.00000 10.31624 768 H 17 dyz Ryd( 3d) 0.00003 3.21168 769 H 17 dyz Ryd( 4d) 0.00000 9.23907 770 H 17 dx2y2 Ryd( 3d) 0.00010 4.10088 771 H 17 dx2y2 Ryd( 4d) 0.00001 10.52305 772 H 17 dz2 Ryd( 3d) 0.00005 3.41173 773 H 17 dz2 Ryd( 4d) 0.00000 9.72943 774 H 17 f(0) Ryd( 4f) 0.00001 7.11326 775 H 17 f(c1) Ryd( 4f) 0.00002 7.64601 776 H 17 f(s1) Ryd( 4f) 0.00000 6.93812 777 H 17 f(c2) Ryd( 4f) 0.00001 7.59777 778 H 17 f(s2) Ryd( 4f) 0.00000 7.62519 779 H 17 f(c3) Ryd( 4f) 0.00001 7.49373 780 H 17 f(s3) Ryd( 4f) 0.00003 7.75490 781 H 18 s Val( 1s) 0.72706 0.06395 782 H 18 s Ryd( 3s) 0.00056 1.86457 783 H 18 s Ryd( 2s) 0.00019 0.97286 784 H 18 s Ryd( 4s) 0.00001 6.48009 785 H 18 px Ryd( 2p) 0.00031 2.65856 786 H 18 px Ryd( 3p) 0.00010 3.50511 787 H 18 px Ryd( 4p) 0.00000 8.13846 788 H 18 py Ryd( 2p) 0.00025 2.57539 789 H 18 py Ryd( 3p) 0.00008 3.82843 790 H 18 py Ryd( 4p) 0.00001 8.34954 791 H 18 pz Ryd( 2p) 0.00066 4.16491 792 H 18 pz Ryd( 3p) 0.00008 5.99400 793 H 18 pz Ryd( 4p) 0.00001 9.41442 794 H 18 dxy Ryd( 3d) 0.00003 3.28163 795 H 18 dxy Ryd( 4d) 0.00000 9.43950 796 H 18 dxz Ryd( 3d) 0.00009 3.84333 797 H 18 dxz Ryd( 4d) 0.00000 10.59773 798 H 18 dyz Ryd( 3d) 0.00012 4.06701 799 H 18 dyz Ryd( 4d) 0.00000 10.52786 800 H 18 dx2y2 Ryd( 3d) 0.00003 3.20310 801 H 18 dx2y2 Ryd( 4d) 0.00000 9.29342 802 H 18 dz2 Ryd( 3d) 0.00013 4.23611 803 H 18 dz2 Ryd( 4d) 0.00001 11.43801 804 H 18 f(0) Ryd( 4f) 0.00002 7.73881 805 H 18 f(c1) Ryd( 4f) 0.00002 7.70631 806 H 18 f(s1) Ryd( 4f) 0.00003 7.69083 807 H 18 f(c2) Ryd( 4f) 0.00000 7.45384 808 H 18 f(s2) Ryd( 4f) 0.00001 7.57443 809 H 18 f(c3) Ryd( 4f) 0.00000 7.03727 810 H 18 f(s3) Ryd( 4f) 0.00000 7.06947 811 H 19 s Val( 1s) 0.75192 0.02678 812 H 19 s Ryd( 3s) 0.00045 1.86639 813 H 19 s Ryd( 2s) 0.00016 0.87204 814 H 19 s Ryd( 4s) 0.00001 6.39020 815 H 19 px Ryd( 2p) 0.00048 3.63006 816 H 19 px Ryd( 3p) 0.00007 5.35031 817 H 19 px Ryd( 4p) 0.00001 8.93030 818 H 19 py Ryd( 2p) 0.00023 2.63816 819 H 19 py Ryd( 3p) 0.00009 3.05385 820 H 19 py Ryd( 4p) 0.00001 8.15200 821 H 19 pz Ryd( 2p) 0.00045 3.49274 822 H 19 pz Ryd( 3p) 0.00006 4.55175 823 H 19 pz Ryd( 4p) 0.00001 8.63289 824 H 19 dxy Ryd( 3d) 0.00006 3.69249 825 H 19 dxy Ryd( 4d) 0.00000 9.89583 826 H 19 dxz Ryd( 3d) 0.00012 4.21604 827 H 19 dxz Ryd( 4d) 0.00001 11.14582 828 H 19 dyz Ryd( 3d) 0.00006 3.40039 829 H 19 dyz Ryd( 4d) 0.00000 9.60702 830 H 19 dx2y2 Ryd( 3d) 0.00008 3.69326 831 H 19 dx2y2 Ryd( 4d) 0.00000 9.89518 832 H 19 dz2 Ryd( 3d) 0.00009 3.85890 833 H 19 dz2 Ryd( 4d) 0.00000 10.22680 834 H 19 f(0) Ryd( 4f) 0.00001 7.69870 835 H 19 f(c1) Ryd( 4f) 0.00002 7.65183 836 H 19 f(s1) Ryd( 4f) 0.00000 7.46246 837 H 19 f(c2) Ryd( 4f) 0.00002 7.27400 838 H 19 f(s2) Ryd( 4f) 0.00001 7.28041 839 H 19 f(c3) Ryd( 4f) 0.00000 7.40258 840 H 19 f(s3) Ryd( 4f) 0.00001 7.52432 841 H 20 s Val( 1s) 0.75096 0.02627 842 H 20 s Ryd( 3s) 0.00045 1.84529 843 H 20 s Ryd( 2s) 0.00017 0.91971 844 H 20 s Ryd( 4s) 0.00001 6.38311 845 H 20 px Ryd( 2p) 0.00047 3.57099 846 H 20 px Ryd( 3p) 0.00008 5.27015 847 H 20 px Ryd( 4p) 0.00001 8.88032 848 H 20 py Ryd( 2p) 0.00037 3.03388 849 H 20 py Ryd( 3p) 0.00009 3.54575 850 H 20 py Ryd( 4p) 0.00001 8.50708 851 H 20 pz Ryd( 2p) 0.00033 3.11786 852 H 20 pz Ryd( 3p) 0.00007 4.16071 853 H 20 pz Ryd( 4p) 0.00001 8.32519 854 H 20 dxy Ryd( 3d) 0.00008 3.92722 855 H 20 dxy Ryd( 4d) 0.00001 10.54304 856 H 20 dxz Ryd( 3d) 0.00011 3.95860 857 H 20 dxz Ryd( 4d) 0.00000 10.38933 858 H 20 dyz Ryd( 3d) 0.00006 3.52138 859 H 20 dyz Ryd( 4d) 0.00000 9.94350 860 H 20 dx2y2 Ryd( 3d) 0.00010 3.77234 861 H 20 dx2y2 Ryd( 4d) 0.00000 9.83632 862 H 20 dz2 Ryd( 3d) 0.00007 3.66168 863 H 20 dz2 Ryd( 4d) 0.00000 9.92277 864 H 20 f(0) Ryd( 4f) 0.00001 7.51196 865 H 20 f(c1) Ryd( 4f) 0.00001 7.49615 866 H 20 f(s1) Ryd( 4f) 0.00001 7.40173 867 H 20 f(c2) Ryd( 4f) 0.00000 7.37058 868 H 20 f(s2) Ryd( 4f) 0.00003 7.34287 869 H 20 f(c3) Ryd( 4f) 0.00000 7.46839 870 H 20 f(s3) Ryd( 4f) 0.00002 7.68507 871 Mo 21 s Cor( 4s) 1.99993 -2.60462 872 Mo 21 s Val( 5s) 0.27797 1.00032 873 Mo 21 s Ryd( 7s) 0.00752 3.72496 874 Mo 21 s Ryd( 9s) 0.00149 12.34143 875 Mo 21 s Ryd( 8s) 0.00012 11.30349 876 Mo 21 s Ryd( 6s) 0.00001 3.39061 877 Mo 21 s Ryd(10s) 0.00000 71.14319 878 Mo 21 px Cor( 4p) 1.99982 -1.59030 879 Mo 21 px Ryd( 8p) 0.00397 5.50463 880 Mo 21 px Ryd( 6p) 0.00124 3.75748 881 Mo 21 px Ryd( 5p) 0.00025 0.75946 882 Mo 21 px Ryd( 7p) 0.00008 4.25178 883 Mo 21 py Cor( 4p) 1.99976 -1.60499 884 Mo 21 py Ryd( 8p) 0.00125 7.32232 885 Mo 21 py Ryd( 6p) 0.00062 5.69758 886 Mo 21 py Ryd( 5p) 0.00015 0.79962 887 Mo 21 py Ryd( 7p) 0.00002 3.99686 888 Mo 21 pz Cor( 4p) 1.99984 -1.57627 889 Mo 21 pz Ryd( 8p) 0.00205 3.39646 890 Mo 21 pz Ryd( 6p) 0.00065 2.76702 891 Mo 21 pz Ryd( 5p) 0.00022 0.82079 892 Mo 21 pz Ryd( 7p) 0.00005 4.35562 893 Mo 21 dxy Val( 4d) 0.89211 -0.19473 894 Mo 21 dxy Ryd( 5d) 0.00852 0.96931 895 Mo 21 dxy Ryd( 6d) 0.00049 2.48928 896 Mo 21 dxy Ryd( 7d) 0.00017 5.51286 897 Mo 21 dxz Val( 4d) 1.02620 -0.18391 898 Mo 21 dxz Ryd( 5d) 0.00836 1.04363 899 Mo 21 dxz Ryd( 6d) 0.00089 1.44112 900 Mo 21 dxz Ryd( 7d) 0.00007 4.10986 901 Mo 21 dyz Val( 4d) 0.97892 -0.18287 902 Mo 21 dyz Ryd( 5d) 0.00498 1.21365 903 Mo 21 dyz Ryd( 6d) 0.00030 1.61695 904 Mo 21 dyz Ryd( 7d) 0.00012 4.83994 905 Mo 21 dx2y2 Val( 4d) 1.02693 -0.20206 906 Mo 21 dx2y2 Ryd( 5d) 0.01186 1.45274 907 Mo 21 dx2y2 Ryd( 6d) 0.00113 2.41394 908 Mo 21 dx2y2 Ryd( 7d) 0.00008 5.60977 909 Mo 21 dz2 Val( 4d) 1.58546 -0.17234 910 Mo 21 dz2 Ryd( 5d) 0.01118 0.90219 911 Mo 21 dz2 Ryd( 6d) 0.00198 1.27432 912 Mo 21 dz2 Ryd( 7d) 0.00006 4.49662 913 Mo 21 f(0) Ryd( 5f) 0.00037 2.75486 914 Mo 21 f(0) Ryd( 4f) 0.00027 3.07385 915 Mo 21 f(0) Ryd( 6f) 0.00002 5.44826 916 Mo 21 f(c1) Ryd( 5f) 0.00141 2.67921 917 Mo 21 f(c1) Ryd( 4f) 0.00022 2.54331 918 Mo 21 f(c1) Ryd( 6f) 0.00001 4.74890 919 Mo 21 f(s1) Ryd( 5f) 0.00066 3.38738 920 Mo 21 f(s1) Ryd( 4f) 0.00023 3.22518 921 Mo 21 f(s1) Ryd( 6f) 0.00001 5.38259 922 Mo 21 f(c2) Ryd( 5f) 0.00129 3.78641 923 Mo 21 f(c2) Ryd( 4f) 0.00029 3.03982 924 Mo 21 f(c2) Ryd( 6f) 0.00001 5.00889 925 Mo 21 f(s2) Ryd( 5f) 0.00064 3.66514 926 Mo 21 f(s2) Ryd( 4f) 0.00032 2.94626 927 Mo 21 f(s2) Ryd( 6f) 0.00000 4.76017 928 Mo 21 f(c3) Ryd( 5f) 0.00070 3.96968 929 Mo 21 f(c3) Ryd( 4f) 0.00028 3.10335 930 Mo 21 f(c3) Ryd( 6f) 0.00001 5.19214 931 Mo 21 f(s3) Ryd( 5f) 0.00081 4.26324 932 Mo 21 f(s3) Ryd( 4f) 0.00037 3.63015 933 Mo 21 f(s3) Ryd( 6f) 0.00001 5.62770 934 Mo 21 g(0) Ryd( 5g) 0.00049 2.78635 935 Mo 21 g(0) Ryd( 6g) 0.00001 4.53443 936 Mo 21 g(c1) Ryd( 5g) 0.00012 2.60478 937 Mo 21 g(c1) Ryd( 6g) 0.00001 4.47550 938 Mo 21 g(s1) Ryd( 5g) 0.00028 3.20079 939 Mo 21 g(s1) Ryd( 6g) 0.00001 4.50464 940 Mo 21 g(c2) Ryd( 5g) 0.00033 3.17307 941 Mo 21 g(c2) Ryd( 6g) 0.00002 4.63873 942 Mo 21 g(s2) Ryd( 5g) 0.00011 2.95902 943 Mo 21 g(s2) Ryd( 6g) 0.00002 4.64805 944 Mo 21 g(c3) Ryd( 5g) 0.00015 3.31587 945 Mo 21 g(c3) Ryd( 6g) 0.00002 4.74669 946 Mo 21 g(s3) Ryd( 5g) 0.00014 3.44195 947 Mo 21 g(s3) Ryd( 6g) 0.00001 4.77892 948 Mo 21 g(c4) Ryd( 5g) 0.00012 3.57546 949 Mo 21 g(c4) Ryd( 6g) 0.00002 5.06057 950 Mo 21 g(s4) Ryd( 5g) 0.00017 3.60266 951 Mo 21 g(s4) Ryd( 6g) 0.00001 4.59143 952 S 22 s Cor( 1s) 2.00000 -87.62304 953 S 22 s Cor( 2s) 2.00000 -8.87836 954 S 22 s Val( 3s) 1.79036 -0.52429 955 S 22 s Ryd( 4s) 0.00247 3.69804 956 S 22 s Ryd( 5s) 0.00011 5.23028 957 S 22 s Ryd( 6s) 0.00000 8.54553 958 S 22 s Ryd( 7s) 0.00000 47.20539 959 S 22 s Ryd( 9s) 0.00000 353.06830 960 S 22 s Ryd( 8s) 0.00000 146.75414 961 S 22 px Cor( 2p) 2.00000 -5.84249 962 S 22 px Val( 3p) 1.06609 -0.17687 963 S 22 px Ryd( 4p) 0.00352 1.60524 964 S 22 px Ryd( 5p) 0.00016 1.51719 965 S 22 px Ryd( 6p) 0.00001 4.71744 966 S 22 px Ryd( 7p) 0.00000 28.28205 967 S 22 py Cor( 2p) 2.00000 -5.83170 968 S 22 py Val( 3p) 1.84317 -0.20146 969 S 22 py Ryd( 4p) 0.00194 0.90215 970 S 22 py Ryd( 5p) 0.00015 1.29412 971 S 22 py Ryd( 6p) 0.00001 4.10110 972 S 22 py Ryd( 7p) 0.00000 28.30682 973 S 22 pz Cor( 2p) 1.99999 -5.83707 974 S 22 pz Val( 3p) 1.48153 -0.19722 975 S 22 pz Ryd( 4p) 0.00101 1.09728 976 S 22 pz Ryd( 5p) 0.00019 1.39924 977 S 22 pz Ryd( 6p) 0.00003 4.47705 978 S 22 pz Ryd( 7p) 0.00000 28.30922 979 S 22 dxy Ryd( 3d) 0.00191 0.98986 980 S 22 dxy Ryd( 4d) 0.00071 1.48390 981 S 22 dxy Ryd( 5d) 0.00001 3.66042 982 S 22 dxy Ryd( 6d) 0.00000 8.88077 983 S 22 dxz Ryd( 3d) 0.01089 1.76859 984 S 22 dxz Ryd( 4d) 0.00069 1.71653 985 S 22 dxz Ryd( 5d) 0.00001 4.39312 986 S 22 dxz Ryd( 6d) 0.00000 8.26346 987 S 22 dyz Ryd( 3d) 0.00284 0.90143 988 S 22 dyz Ryd( 4d) 0.00053 1.38955 989 S 22 dyz Ryd( 5d) 0.00001 3.53442 990 S 22 dyz Ryd( 6d) 0.00000 8.88988 991 S 22 dx2y2 Ryd( 3d) 0.00588 1.02391 992 S 22 dx2y2 Ryd( 4d) 0.00051 1.46051 993 S 22 dx2y2 Ryd( 5d) 0.00001 3.85267 994 S 22 dx2y2 Ryd( 6d) 0.00000 8.68365 995 S 22 dz2 Ryd( 3d) 0.00415 1.03879 996 S 22 dz2 Ryd( 4d) 0.00130 1.46422 997 S 22 dz2 Ryd( 5d) 0.00001 3.58933 998 S 22 dz2 Ryd( 6d) 0.00000 8.92788 999 S 22 f(0) Ryd( 4f) 0.00016 1.94537 1000 S 22 f(0) Ryd( 5f) 0.00004 3.83178 1001 S 22 f(c1) Ryd( 4f) 0.00010 2.27085 1002 S 22 f(c1) Ryd( 5f) 0.00007 3.71731 1003 S 22 f(s1) Ryd( 4f) 0.00005 1.69208 1004 S 22 f(s1) Ryd( 5f) 0.00001 3.65533 1005 S 22 f(c2) Ryd( 4f) 0.00075 2.13367 1006 S 22 f(c2) Ryd( 5f) 0.00004 4.26787 1007 S 22 f(s2) Ryd( 4f) 0.00016 2.14176 1008 S 22 f(s2) Ryd( 5f) 0.00004 3.75368 1009 S 22 f(c3) Ryd( 4f) 0.00068 1.95923 1010 S 22 f(c3) Ryd( 5f) 0.00002 3.85913 1011 S 22 f(s3) Ryd( 4f) 0.00056 1.94114 1012 S 22 f(s3) Ryd( 5f) 0.00003 3.72079 1013 S 22 g(0) Ryd( 5g) 0.00001 3.63066 1014 S 22 g(c1) Ryd( 5g) 0.00002 3.83640 1015 S 22 g(s1) Ryd( 5g) 0.00000 3.46875 1016 S 22 g(c2) Ryd( 5g) 0.00003 3.78897 1017 S 22 g(s2) Ryd( 5g) 0.00001 3.69941 1018 S 22 g(c3) Ryd( 5g) 0.00004 3.81811 1019 S 22 g(s3) Ryd( 5g) 0.00002 3.84206 1020 S 22 g(c4) Ryd( 5g) 0.00001 3.67020 1021 S 22 g(s4) Ryd( 5g) 0.00001 3.67519 1022 S 23 s Cor( 1s) 2.00000 -87.95835 1023 S 23 s Cor( 2s) 2.00000 -8.61589 1024 S 23 s Val( 3s) 1.78486 -0.55323 1025 S 23 s Ryd( 4s) 0.00421 2.07513 1026 S 23 s Ryd( 6s) 0.00007 8.05085 1027 S 23 s Ryd( 5s) 0.00000 7.38526 1028 S 23 s Ryd( 7s) 0.00000 42.43225 1029 S 23 s Ryd( 8s) 0.00000 201.84662 1030 S 23 s Ryd( 9s) 0.00000 296.81528 1031 S 23 px Cor( 2p) 1.99999 -5.87331 1032 S 23 px Val( 3p) 1.36624 -0.20889 1033 S 23 px Ryd( 4p) 0.00272 0.75285 1034 S 23 px Ryd( 5p) 0.00029 1.24290 1035 S 23 px Ryd( 6p) 0.00002 6.38295 1036 S 23 px Ryd( 7p) 0.00000 28.16181 1037 S 23 py Cor( 2p) 1.99999 -5.87232 1038 S 23 py Val( 3p) 1.40428 -0.20964 1039 S 23 py Ryd( 4p) 0.00273 0.55303 1040 S 23 py Ryd( 5p) 0.00023 1.31527 1041 S 23 py Ryd( 6p) 0.00001 6.16967 1042 S 23 py Ryd( 7p) 0.00000 28.13091 1043 S 23 pz Cor( 2p) 1.99999 -5.87201 1044 S 23 pz Val( 3p) 1.41532 -0.20521 1045 S 23 pz Ryd( 4p) 0.00574 0.57034 1046 S 23 pz Ryd( 5p) 0.00016 1.33034 1047 S 23 pz Ryd( 6p) 0.00001 5.05398 1048 S 23 pz Ryd( 7p) 0.00000 28.17629 1049 S 23 dxy Ryd( 3d) 0.00999 0.58676 1050 S 23 dxy Ryd( 4d) 0.00015 1.74206 1051 S 23 dxy Ryd( 5d) 0.00001 3.77375 1052 S 23 dxy Ryd( 6d) 0.00000 8.56055 1053 S 23 dxz Ryd( 3d) 0.01108 0.68917 1054 S 23 dxz Ryd( 4d) 0.00008 1.96283 1055 S 23 dxz Ryd( 5d) 0.00002 4.23276 1056 S 23 dxz Ryd( 6d) 0.00000 8.30545 1057 S 23 dyz Ryd( 3d) 0.01352 0.71572 1058 S 23 dyz Ryd( 4d) 0.00010 1.95858 1059 S 23 dyz Ryd( 5d) 0.00002 4.11604 1060 S 23 dyz Ryd( 6d) 0.00000 8.35758 1061 S 23 dx2y2 Ryd( 3d) 0.01348 0.75059 1062 S 23 dx2y2 Ryd( 4d) 0.00011 2.14989 1063 S 23 dx2y2 Ryd( 5d) 0.00003 4.17248 1064 S 23 dx2y2 Ryd( 6d) 0.00000 8.19221 1065 S 23 dz2 Ryd( 3d) 0.00570 0.56892 1066 S 23 dz2 Ryd( 4d) 0.00010 1.51995 1067 S 23 dz2 Ryd( 5d) 0.00001 3.66217 1068 S 23 dz2 Ryd( 6d) 0.00000 8.54304 1069 S 23 f(0) Ryd( 4f) 0.00058 1.62949 1070 S 23 f(0) Ryd( 5f) 0.00002 3.70091 1071 S 23 f(c1) Ryd( 4f) 0.00032 1.70312 1072 S 23 f(c1) Ryd( 5f) 0.00003 3.65873 1073 S 23 f(s1) Ryd( 4f) 0.00055 1.67508 1074 S 23 f(s1) Ryd( 5f) 0.00002 3.71596 1075 S 23 f(c2) Ryd( 4f) 0.00139 1.95794 1076 S 23 f(c2) Ryd( 5f) 0.00003 4.14504 1077 S 23 f(s2) Ryd( 4f) 0.00047 1.72524 1078 S 23 f(s2) Ryd( 5f) 0.00003 3.69645 1079 S 23 f(c3) Ryd( 4f) 0.00042 1.66789 1080 S 23 f(c3) Ryd( 5f) 0.00002 3.74207 1081 S 23 f(s3) Ryd( 4f) 0.00036 1.66246 1082 S 23 f(s3) Ryd( 5f) 0.00002 3.73814 1083 S 23 g(0) Ryd( 5g) 0.00003 3.54342 1084 S 23 g(c1) Ryd( 5g) 0.00003 3.55767 1085 S 23 g(s1) Ryd( 5g) 0.00003 3.59934 1086 S 23 g(c2) Ryd( 5g) 0.00009 3.72911 1087 S 23 g(s2) Ryd( 5g) 0.00001 3.54456 1088 S 23 g(c3) Ryd( 5g) 0.00008 3.72487 1089 S 23 g(s3) Ryd( 5g) 0.00008 3.67668 1090 S 23 g(c4) Ryd( 5g) 0.00002 3.55077 1091 S 23 g(s4) Ryd( 5g) 0.00002 3.55769 1092 S 24 s Cor( 1s) 2.00000 -87.92476 1093 S 24 s Cor( 2s) 2.00000 -8.65649 1094 S 24 s Val( 3s) 1.78093 -0.55499 1095 S 24 s Ryd( 4s) 0.00474 2.09951 1096 S 24 s Ryd( 6s) 0.00007 8.01946 1097 S 24 s Ryd( 5s) 0.00000 6.76364 1098 S 24 s Ryd( 7s) 0.00000 42.13395 1099 S 24 s Ryd( 8s) 0.00000 224.26958 1100 S 24 s Ryd( 9s) 0.00000 274.99193 1101 S 24 px Cor( 2p) 1.99999 -5.87634 1102 S 24 px Val( 3p) 1.39365 -0.21215 1103 S 24 px Ryd( 4p) 0.00307 0.82462 1104 S 24 px Ryd( 5p) 0.00027 1.23682 1105 S 24 px Ryd( 6p) 0.00001 6.20807 1106 S 24 px Ryd( 7p) 0.00000 28.14355 1107 S 24 py Cor( 2p) 1.99999 -5.87591 1108 S 24 py Val( 3p) 1.40004 -0.21389 1109 S 24 py Ryd( 4p) 0.00241 0.59881 1110 S 24 py Ryd( 5p) 0.00023 1.30209 1111 S 24 py Ryd( 6p) 0.00001 6.40884 1112 S 24 py Ryd( 7p) 0.00000 28.12275 1113 S 24 pz Cor( 2p) 1.99999 -5.87578 1114 S 24 pz Val( 3p) 1.39348 -0.20780 1115 S 24 pz Ryd( 4p) 0.00580 0.60542 1116 S 24 pz Ryd( 5p) 0.00016 1.30844 1117 S 24 pz Ryd( 6p) 0.00001 5.03656 1118 S 24 pz Ryd( 7p) 0.00000 28.16311 1119 S 24 dxy Ryd( 3d) 0.01059 0.59403 1120 S 24 dxy Ryd( 4d) 0.00018 1.72179 1121 S 24 dxy Ryd( 5d) 0.00001 3.86606 1122 S 24 dxy Ryd( 6d) 0.00000 8.51480 1123 S 24 dxz Ryd( 3d) 0.01172 0.67804 1124 S 24 dxz Ryd( 4d) 0.00008 1.90936 1125 S 24 dxz Ryd( 5d) 0.00003 4.27539 1126 S 24 dxz Ryd( 6d) 0.00000 8.33608 1127 S 24 dyz Ryd( 3d) 0.01449 0.71878 1128 S 24 dyz Ryd( 4d) 0.00010 1.91782 1129 S 24 dyz Ryd( 5d) 0.00002 4.14298 1130 S 24 dyz Ryd( 6d) 0.00000 8.30955 1131 S 24 dx2y2 Ryd( 3d) 0.01341 0.72276 1132 S 24 dx2y2 Ryd( 4d) 0.00011 2.04931 1133 S 24 dx2y2 Ryd( 5d) 0.00003 4.13759 1134 S 24 dx2y2 Ryd( 6d) 0.00000 8.23571 1135 S 24 dz2 Ryd( 3d) 0.00602 0.55898 1136 S 24 dz2 Ryd( 4d) 0.00011 1.45689 1137 S 24 dz2 Ryd( 5d) 0.00001 3.71638 1138 S 24 dz2 Ryd( 6d) 0.00000 8.54557 1139 S 24 f(0) Ryd( 4f) 0.00059 1.62073 1140 S 24 f(0) Ryd( 5f) 0.00002 3.70254 1141 S 24 f(c1) Ryd( 4f) 0.00038 1.69771 1142 S 24 f(c1) Ryd( 5f) 0.00002 3.66659 1143 S 24 f(s1) Ryd( 4f) 0.00052 1.66819 1144 S 24 f(s1) Ryd( 5f) 0.00002 3.72459 1145 S 24 f(c2) Ryd( 4f) 0.00130 1.92970 1146 S 24 f(c2) Ryd( 5f) 0.00003 4.09905 1147 S 24 f(s2) Ryd( 4f) 0.00062 1.76013 1148 S 24 f(s2) Ryd( 5f) 0.00003 3.75508 1149 S 24 f(c3) Ryd( 4f) 0.00035 1.66156 1150 S 24 f(c3) Ryd( 5f) 0.00002 3.71765 1151 S 24 f(s3) Ryd( 4f) 0.00043 1.67432 1152 S 24 f(s3) Ryd( 5f) 0.00002 3.77394 1153 S 24 g(0) Ryd( 5g) 0.00003 3.53955 1154 S 24 g(c1) Ryd( 5g) 0.00003 3.55263 1155 S 24 g(s1) Ryd( 5g) 0.00003 3.59772 1156 S 24 g(c2) Ryd( 5g) 0.00009 3.70058 1157 S 24 g(s2) Ryd( 5g) 0.00002 3.57212 1158 S 24 g(c3) Ryd( 5g) 0.00007 3.72125 1159 S 24 g(s3) Ryd( 5g) 0.00009 3.67630 1160 S 24 g(c4) Ryd( 5g) 0.00002 3.54671 1161 S 24 g(s4) Ryd( 5g) 0.00002 3.56021 1162 S 25 s Cor( 1s) 2.00000 -87.56509 1163 S 25 s Cor( 2s) 2.00000 -8.94640 1164 S 25 s Val( 3s) 1.78935 -0.52874 1165 S 25 s Ryd( 4s) 0.00240 3.71825 1166 S 25 s Ryd( 5s) 0.00010 5.23932 1167 S 25 s Ryd( 6s) 0.00000 8.54543 1168 S 25 s Ryd( 7s) 0.00000 45.14293 1169 S 25 s Ryd( 9s) 0.00000 346.73102 1170 S 25 s Ryd( 8s) 0.00000 155.22585 1171 S 25 px Cor( 2p) 2.00000 -5.84718 1172 S 25 px Val( 3p) 1.07923 -0.18115 1173 S 25 px Ryd( 4p) 0.00369 1.52123 1174 S 25 px Ryd( 5p) 0.00017 1.54330 1175 S 25 px Ryd( 6p) 0.00001 4.79258 1176 S 25 px Ryd( 7p) 0.00000 28.28673 1177 S 25 py Cor( 2p) 2.00000 -5.83694 1178 S 25 py Val( 3p) 1.82559 -0.20391 1179 S 25 py Ryd( 4p) 0.00230 0.83329 1180 S 25 py Ryd( 5p) 0.00016 1.29766 1181 S 25 py Ryd( 6p) 0.00001 4.12137 1182 S 25 py Ryd( 7p) 0.00000 28.31837 1183 S 25 pz Cor( 2p) 1.99999 -5.84226 1184 S 25 pz Val( 3p) 1.46952 -0.20162 1185 S 25 pz Ryd( 4p) 0.00116 1.11866 1186 S 25 pz Ryd( 5p) 0.00021 1.42556 1187 S 25 pz Ryd( 6p) 0.00003 4.66226 1188 S 25 pz Ryd( 7p) 0.00000 28.31469 1189 S 25 dxy Ryd( 3d) 0.00237 0.94037 1190 S 25 dxy Ryd( 4d) 0.00072 1.51455 1191 S 25 dxy Ryd( 5d) 0.00001 3.71397 1192 S 25 dxy Ryd( 6d) 0.00000 8.84513 1193 S 25 dxz Ryd( 3d) 0.01185 1.71721 1194 S 25 dxz Ryd( 4d) 0.00073 1.73370 1195 S 25 dxz Ryd( 5d) 0.00001 4.42804 1196 S 25 dxz Ryd( 6d) 0.00000 8.18384 1197 S 25 dyz Ryd( 3d) 0.00306 0.89100 1198 S 25 dyz Ryd( 4d) 0.00047 1.43874 1199 S 25 dyz Ryd( 5d) 0.00001 3.57501 1200 S 25 dyz Ryd( 6d) 0.00000 8.87855 1201 S 25 dx2y2 Ryd( 3d) 0.00603 0.92308 1202 S 25 dx2y2 Ryd( 4d) 0.00056 1.43808 1203 S 25 dx2y2 Ryd( 5d) 0.00001 3.85907 1204 S 25 dx2y2 Ryd( 6d) 0.00000 8.65395 1205 S 25 dz2 Ryd( 3d) 0.00472 1.02148 1206 S 25 dz2 Ryd( 4d) 0.00139 1.48066 1207 S 25 dz2 Ryd( 5d) 0.00001 3.61953 1208 S 25 dz2 Ryd( 6d) 0.00000 8.86928 1209 S 25 f(0) Ryd( 4f) 0.00013 1.97311 1210 S 25 f(0) Ryd( 5f) 0.00004 3.84698 1211 S 25 f(c1) Ryd( 4f) 0.00012 2.29894 1212 S 25 f(c1) Ryd( 5f) 0.00007 3.78155 1213 S 25 f(s1) Ryd( 4f) 0.00006 1.66761 1214 S 25 f(s1) Ryd( 5f) 0.00001 3.63444 1215 S 25 f(c2) Ryd( 4f) 0.00072 2.10753 1216 S 25 f(c2) Ryd( 5f) 0.00004 4.23781 1217 S 25 f(s2) Ryd( 4f) 0.00018 2.20080 1218 S 25 f(s2) Ryd( 5f) 0.00005 3.82025 1219 S 25 f(c3) Ryd( 4f) 0.00063 1.86640 1220 S 25 f(c3) Ryd( 5f) 0.00003 3.78846 1221 S 25 f(s3) Ryd( 4f) 0.00058 1.99560 1222 S 25 f(s3) Ryd( 5f) 0.00002 3.78434 1223 S 25 g(0) Ryd( 5g) 0.00001 3.62334 1224 S 25 g(c1) Ryd( 5g) 0.00002 3.86230 1225 S 25 g(s1) Ryd( 5g) 0.00000 3.48555 1226 S 25 g(c2) Ryd( 5g) 0.00003 3.77395 1227 S 25 g(s2) Ryd( 5g) 0.00001 3.73685 1228 S 25 g(c3) Ryd( 5g) 0.00004 3.80663 1229 S 25 g(s3) Ryd( 5g) 0.00003 3.85104 1230 S 25 g(c4) Ryd( 5g) 0.00001 3.67550 1231 S 25 g(s4) Ryd( 5g) 0.00001 3.65285 [28 electrons found in the effective core potential] Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.19298 1.99997 4.16426 0.02874 6.19298 C 2 -0.20898 1.99997 4.18165 0.02736 6.20898 C 3 -0.16580 1.99997 4.13723 0.02860 6.16580 C 4 -0.27802 1.99997 4.24964 0.02841 6.27802 C 5 -0.21969 1.99997 4.19184 0.02788 6.21969 C 6 -0.26530 1.99997 4.23757 0.02775 6.26530 C 7 -0.24356 1.99997 4.21255 0.03103 6.24356 C 8 -0.20166 1.99997 4.17434 0.02734 6.20166 C 9 -0.21584 1.99997 4.18789 0.02798 6.21584 C 10 -0.22815 1.99997 4.20021 0.02797 6.22815 H 11 0.27423 0.00000 0.72244 0.00333 0.72577 H 12 0.26800 0.00000 0.72919 0.00281 0.73200 H 13 0.26891 0.00000 0.72742 0.00368 0.73109 H 14 0.25758 0.00000 0.73980 0.00262 0.74242 H 15 0.23985 0.00000 0.75736 0.00279 0.76015 H 16 0.26061 0.00000 0.73683 0.00256 0.73939 H 17 0.27969 0.00000 0.71577 0.00454 0.72031 H 18 0.27017 0.00000 0.72706 0.00277 0.72983 H 19 0.24554 0.00000 0.75192 0.00254 0.75446 H 20 0.24645 0.00000 0.75096 0.00259 0.75355 Mo 21 0.13319 35.99935 5.78758 0.07988 41.86681 S 22 -0.22306 9.99998 6.18115 0.04193 16.22306 S 23 -0.04592 9.99998 5.97071 0.07523 16.04592 S 24 -0.04656 9.99998 5.96810 0.07848 16.04656 S 25 -0.20870 9.99998 6.16369 0.04503 16.20870 ==================================================================== * Total * 0.00000 95.99902 79.36714 0.63384 176.00000 Natural Population --------------------------------------------------------- Effective Core 28.00000 Core 67.99902 ( 99.9986% of 68) Valence 79.36714 ( 99.2089% of 80) Natural Minimal Basis 175.36616 ( 99.6399% of 176) Natural Rydberg Basis 0.63384 ( 0.3601% of 176) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 1.01)2p( 3.15)3p( 0.01)3d( 0.01) C 2 [core]2s( 1.00)2p( 3.18)3p( 0.01)3d( 0.01) C 3 [core]2s( 1.01)2p( 3.13)3p( 0.01)3d( 0.01) C 4 [core]2s( 1.00)2p( 3.25)3p( 0.01)3d( 0.01) C 5 [core]2s( 1.00)2p( 3.19)3p( 0.01)3d( 0.01) C 6 [core]2s( 1.00)2p( 3.24)3p( 0.01)3d( 0.01) C 7 [core]2s( 1.01)2p( 3.20)3p( 0.01)3d( 0.01) C 8 [core]2s( 1.00)2p( 3.17)3p( 0.01)3d( 0.01) C 9 [core]2s( 1.00)2p( 3.18)3p( 0.01)3d( 0.01) C 10 [core]2s( 1.00)2p( 3.20)3p( 0.01)3d( 0.01) H 11 1s( 0.72) H 12 1s( 0.73) H 13 1s( 0.73) H 14 1s( 0.74) H 15 1s( 0.76) H 16 1s( 0.74) H 17 1s( 0.72) H 18 1s( 0.73) H 19 1s( 0.75) H 20 1s( 0.75) Mo 21 [core]5s( 0.28)4d( 5.51)5d( 0.04)7s( 0.01)5f( 0.01) S 22 [core]3s( 1.79)3p( 4.39)3d( 0.03)4p( 0.01) S 23 [core]3s( 1.78)3p( 4.19)3d( 0.05)4p( 0.01) S 24 [core]3s( 1.78)3p( 4.19)3d( 0.06)4p( 0.01) S 25 [core]3s( 1.79)3p( 4.37)3d( 0.03)4p( 0.01) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.0209 1.3146 0.0177 0.0175 1.2507 0.0148 0.0032 0.0033 2. C 0.0209 0.0000 0.0021 0.0135 0.0040 0.0122 1.2292 0.0153 0.0216 3. C 1.3146 0.0021 0.0000 1.2552 0.0166 0.0163 0.0131 0.0197 0.0116 4. C 0.0177 0.0135 1.2552 0.0000 1.2266 0.0223 0.0131 0.0102 0.0038 5. C 0.0175 0.0040 0.0166 1.2266 0.0000 1.2327 0.0083 0.0029 0.0285 6. C 1.2507 0.0122 0.0163 0.0223 1.2327 0.0000 0.0147 0.0133 0.0191 7. C 0.0148 1.2292 0.0131 0.0131 0.0083 0.0147 0.0000 1.2048 0.0174 8. C 0.0032 0.0153 0.0197 0.0102 0.0029 0.0133 1.2048 0.0000 1.3393 9. C 0.0033 0.0216 0.0116 0.0038 0.0285 0.0191 0.0174 1.3393 0.0000 10. C 0.0083 1.3114 0.0029 0.0207 0.0222 0.0059 0.0188 0.0209 1.2260 11. H 0.8921 0.0001 0.0031 0.0088 0.0083 0.0026 0.0001 0.0001 0.0000 12. H 0.0002 0.8939 0.0001 0.0003 0.0001 0.0006 0.0029 0.0075 0.0082 13. H 0.0030 0.0001 0.8949 0.0026 0.0082 0.0087 0.0001 0.0001 0.0001 14. H 0.0080 0.0005 0.0033 0.9012 0.0024 0.0075 0.0004 0.0002 0.0001 15. H 0.0086 0.0001 0.0083 0.0027 0.9103 0.0028 0.0004 0.0001 0.0005 16. H 0.0032 0.0002 0.0077 0.0075 0.0025 0.8997 0.0004 0.0005 0.0003 17. H 0.0001 0.0028 0.0001 0.0001 0.0010 0.0001 0.8838 0.0027 0.0081 18. H 0.0001 0.0071 0.0002 0.0004 0.0001 0.0003 0.0028 0.8950 0.0028 19. H 0.0001 0.0081 0.0002 0.0001 0.0003 0.0007 0.0097 0.0034 0.9073 20. H 0.0003 0.0033 0.0001 0.0007 0.0003 0.0001 0.0093 0.0081 0.0024 21. Mo 0.2892 0.3157 0.2817 0.3627 0.4016 0.3706 0.4156 0.3161 0.2991 22. S 0.0529 0.0147 0.0101 0.0524 0.0227 0.0236 0.0364 0.0468 0.0084 23. S 0.0051 0.0016 0.0023 0.0044 0.0025 0.0065 0.0083 0.0065 0.0049 24. S 0.0055 0.0074 0.0102 0.0043 0.0021 0.0035 0.0049 0.0029 0.0027 25. S 0.0186 0.0552 0.0633 0.0168 0.0318 0.0316 0.0298 0.0200 0.0376 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0083 0.8921 0.0002 0.0030 0.0080 0.0086 0.0032 0.0001 0.0001 2. C 1.3114 0.0001 0.8939 0.0001 0.0005 0.0001 0.0002 0.0028 0.0071 3. C 0.0029 0.0031 0.0001 0.8949 0.0033 0.0083 0.0077 0.0001 0.0002 4. C 0.0207 0.0088 0.0003 0.0026 0.9012 0.0027 0.0075 0.0001 0.0004 5. C 0.0222 0.0083 0.0001 0.0082 0.0024 0.9103 0.0025 0.0010 0.0001 6. C 0.0059 0.0026 0.0006 0.0087 0.0075 0.0028 0.8997 0.0001 0.0003 7. C 0.0188 0.0001 0.0029 0.0001 0.0004 0.0004 0.0004 0.8838 0.0028 8. C 0.0209 0.0001 0.0075 0.0001 0.0002 0.0001 0.0005 0.0027 0.8950 9. C 1.2260 0.0000 0.0082 0.0001 0.0001 0.0005 0.0003 0.0081 0.0028 10. C 0.0000 0.0002 0.0027 0.0000 0.0003 0.0007 0.0000 0.0083 0.0083 11. H 0.0002 0.0000 0.0000 0.0016 0.0005 0.0006 0.0014 0.0000 0.0000 12. H 0.0027 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0013 0.0003 13. H 0.0000 0.0016 0.0000 0.0000 0.0014 0.0005 0.0004 0.0000 0.0000 14. H 0.0003 0.0005 0.0000 0.0014 0.0000 0.0014 0.0004 0.0000 0.0000 15. H 0.0007 0.0006 0.0000 0.0005 0.0014 0.0000 0.0014 0.0000 0.0000 16. H 0.0000 0.0014 0.0000 0.0004 0.0004 0.0014 0.0000 0.0000 0.0000 17. H 0.0083 0.0000 0.0013 0.0000 0.0000 0.0000 0.0000 0.0000 0.0013 18. H 0.0083 0.0000 0.0003 0.0000 0.0000 0.0000 0.0000 0.0013 0.0000 19. H 0.0024 0.0000 0.0005 0.0000 0.0000 0.0001 0.0000 0.0006 0.0016 20. H 0.9068 0.0000 0.0015 0.0000 0.0000 0.0000 0.0000 0.0006 0.0005 21. Mo 0.3217 0.0043 0.0068 0.0044 0.0067 0.0048 0.0071 0.0056 0.0065 22. S 0.0531 0.0022 0.0002 0.0004 0.0011 0.0005 0.0003 0.0021 0.0018 23. S 0.0027 0.0007 0.0002 0.0010 0.0003 0.0002 0.0001 0.0054 0.0003 24. S 0.0031 0.0012 0.0011 0.0017 0.0001 0.0004 0.0003 0.0015 0.0002 25. S 0.0061 0.0005 0.0027 0.0024 0.0004 0.0006 0.0010 0.0015 0.0002 Atom 19 20 21 22 23 24 25 ---- ------ ------ ------ ------ ------ ------ ------ 1. C 0.0001 0.0003 0.2892 0.0529 0.0051 0.0055 0.0186 2. C 0.0081 0.0033 0.3157 0.0147 0.0016 0.0074 0.0552 3. C 0.0002 0.0001 0.2817 0.0101 0.0023 0.0102 0.0633 4. C 0.0001 0.0007 0.3627 0.0524 0.0044 0.0043 0.0168 5. C 0.0003 0.0003 0.4016 0.0227 0.0025 0.0021 0.0318 6. C 0.0007 0.0001 0.3706 0.0236 0.0065 0.0035 0.0316 7. C 0.0097 0.0093 0.4156 0.0364 0.0083 0.0049 0.0298 8. C 0.0034 0.0081 0.3161 0.0468 0.0065 0.0029 0.0200 9. C 0.9073 0.0024 0.2991 0.0084 0.0049 0.0027 0.0376 10. C 0.0024 0.9068 0.3217 0.0531 0.0027 0.0031 0.0061 11. H 0.0000 0.0000 0.0043 0.0022 0.0007 0.0012 0.0005 12. H 0.0005 0.0015 0.0068 0.0002 0.0002 0.0011 0.0027 13. H 0.0000 0.0000 0.0044 0.0004 0.0010 0.0017 0.0024 14. H 0.0000 0.0000 0.0067 0.0011 0.0003 0.0001 0.0004 15. H 0.0001 0.0000 0.0048 0.0005 0.0002 0.0004 0.0006 16. H 0.0000 0.0000 0.0071 0.0003 0.0001 0.0003 0.0010 17. H 0.0006 0.0006 0.0056 0.0021 0.0054 0.0015 0.0015 18. H 0.0016 0.0005 0.0065 0.0018 0.0003 0.0002 0.0002 19. H 0.0000 0.0013 0.0045 0.0001 0.0001 0.0002 0.0011 20. H 0.0013 0.0000 0.0049 0.0010 0.0002 0.0001 0.0001 21. Mo 0.0045 0.0049 0.0000 0.7456 0.0634 0.0639 0.7414 22. S 0.0001 0.0010 0.7456 0.0000 0.9784 0.0975 0.0337 23. S 0.0001 0.0002 0.0634 0.9784 0.0000 1.0532 0.1030 24. S 0.0002 0.0001 0.0639 0.0975 1.0532 0.0000 0.9968 25. S 0.0011 0.0001 0.7414 0.0337 0.1030 0.9968 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. C 3.9380 2. C 3.9411 3. C 3.9375 4. C 3.9481 5. C 3.9534 6. C 3.9463 7. C 3.9391 8. C 3.9398 9. C 3.9531 10. C 3.9535 11. H 0.9283 12. H 0.9310 13. H 0.9317 14. H 0.9362 15. H 0.9452 16. H 0.9345 17. H 0.9270 18. H 0.9297 19. H 0.9421 20. H 0.9417 21. Mo 5.0438 22. S 2.1861 23. S 2.2513 24. S 2.2651 25. S 2.1962 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.1446 1.1466 0.1331 0.1321 1.1184 0.1217 0.0564 0.0572 2. C 0.1446 0.0000 0.0455 0.1161 0.0630 0.1107 1.1087 0.1238 0.1468 3. C 1.1466 0.0455 0.0000 1.1204 0.1287 0.1275 0.1145 0.1403 0.1078 4. C 0.1331 0.1161 1.1204 0.0000 1.1075 0.1494 0.1143 0.1011 0.0617 5. C 0.1321 0.0630 0.1287 1.1075 0.0000 1.1102 0.0911 0.0541 0.1688 6. C 1.1184 0.1107 0.1275 0.1494 1.1102 0.0000 0.1211 0.1153 0.1382 7. C 0.1217 1.1087 0.1145 0.1143 0.0911 0.1211 0.0000 1.0976 0.1320 8. C 0.0564 0.1238 0.1403 0.1011 0.0541 0.1153 1.0976 0.0000 1.1573 9. C 0.0572 0.1468 0.1078 0.0617 0.1688 0.1382 0.1320 1.1573 0.0000 10. C 0.0913 1.1451 0.0540 0.1439 0.1490 0.0766 0.1370 0.1446 1.1073 11. H 0.9445 0.0104 0.0555 0.0939 0.0911 0.0513 0.0105 0.0072 0.0062 12. H 0.0135 0.9454 0.0086 0.0170 0.0090 0.0249 0.0541 0.0863 0.0903 13. H 0.0552 0.0095 0.9460 0.0510 0.0903 0.0933 0.0110 0.0102 0.0113 14. H 0.0896 0.0231 0.0578 0.9493 0.0494 0.0867 0.0192 0.0124 0.0071 15. H 0.0926 0.0106 0.0914 0.0520 0.9541 0.0531 0.0210 0.0122 0.0230 16. H 0.0567 0.0146 0.0877 0.0863 0.0501 0.9485 0.0197 0.0225 0.0175 17. H 0.0120 0.0529 0.0117 0.0091 0.0310 0.0101 0.9401 0.0522 0.0902 18. H 0.0090 0.0841 0.0124 0.0200 0.0095 0.0183 0.0533 0.9460 0.0525 19. H 0.0077 0.0898 0.0146 0.0094 0.0176 0.0264 0.0983 0.0584 0.9525 20. H 0.0163 0.0578 0.0078 0.0260 0.0181 0.0092 0.0966 0.0901 0.0490 21. Mo 0.5377 0.5619 0.5308 0.6022 0.6338 0.6088 0.6446 0.5622 0.5469 22. S 0.2299 0.1212 0.1003 0.2289 0.1506 0.1538 0.1909 0.2164 0.0918 23. S 0.0716 0.0401 0.0476 0.0667 0.0498 0.0809 0.0909 0.0808 0.0697 24. S 0.0744 0.0861 0.1007 0.0658 0.0463 0.0592 0.0703 0.0543 0.0524 25. S 0.1362 0.2350 0.2516 0.1297 0.1784 0.1778 0.1727 0.1415 0.1939 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0913 0.9445 0.0135 0.0552 0.0896 0.0926 0.0567 0.0120 0.0090 2. C 1.1451 0.0104 0.9454 0.0095 0.0231 0.0106 0.0146 0.0529 0.0841 3. C 0.0540 0.0555 0.0086 0.9460 0.0578 0.0914 0.0877 0.0117 0.0124 4. C 0.1439 0.0939 0.0170 0.0510 0.9493 0.0520 0.0863 0.0091 0.0200 5. C 0.1490 0.0911 0.0090 0.0903 0.0494 0.9541 0.0501 0.0310 0.0095 6. C 0.0766 0.0513 0.0249 0.0933 0.0867 0.0531 0.9485 0.0101 0.0183 7. C 0.1370 0.0105 0.0541 0.0110 0.0192 0.0210 0.0197 0.9401 0.0533 8. C 0.1446 0.0072 0.0863 0.0102 0.0124 0.0122 0.0225 0.0522 0.9460 9. C 1.1073 0.0062 0.0903 0.0113 0.0071 0.0230 0.0175 0.0902 0.0525 10. C 0.0000 0.0152 0.0517 0.0051 0.0184 0.0264 0.0052 0.0909 0.0912 11. H 0.0152 0.0000 0.0024 0.0395 0.0219 0.0237 0.0369 0.0031 0.0029 12. H 0.0517 0.0024 0.0000 0.0030 0.0034 0.0023 0.0032 0.0365 0.0175 13. H 0.0051 0.0395 0.0030 0.0000 0.0370 0.0224 0.0208 0.0036 0.0021 14. H 0.0184 0.0219 0.0034 0.0370 0.0000 0.0372 0.0196 0.0031 0.0027 15. H 0.0264 0.0237 0.0023 0.0224 0.0372 0.0000 0.0378 0.0035 0.0025 16. H 0.0052 0.0369 0.0032 0.0208 0.0196 0.0378 0.0000 0.0033 0.0034 17. H 0.0909 0.0031 0.0365 0.0036 0.0031 0.0035 0.0033 0.0000 0.0354 18. H 0.0912 0.0029 0.0175 0.0021 0.0027 0.0025 0.0034 0.0354 0.0000 19. H 0.0485 0.0018 0.0214 0.0020 0.0016 0.0086 0.0034 0.0241 0.0395 20. H 0.9523 0.0023 0.0384 0.0015 0.0056 0.0065 0.0012 0.0250 0.0220 21. Mo 0.5672 0.0655 0.0823 0.0666 0.0818 0.0693 0.0841 0.0747 0.0806 22. S 0.2304 0.0473 0.0148 0.0199 0.0330 0.0231 0.0184 0.0453 0.0421 23. S 0.0515 0.0262 0.0154 0.0309 0.0181 0.0133 0.0118 0.0736 0.0170 24. S 0.0555 0.0348 0.0336 0.0418 0.0097 0.0195 0.0169 0.0385 0.0141 25. S 0.0781 0.0216 0.0517 0.0492 0.0187 0.0249 0.0308 0.0389 0.0147 Atom 19 20 21 22 23 24 25 ---- ------ ------ ------ ------ ------ ------ ------ 1. C 0.0077 0.0163 0.5377 0.2299 0.0716 0.0744 0.1362 2. C 0.0898 0.0578 0.5619 0.1212 0.0401 0.0861 0.2350 3. C 0.0146 0.0078 0.5308 0.1003 0.0476 0.1007 0.2516 4. C 0.0094 0.0260 0.6022 0.2289 0.0667 0.0658 0.1297 5. C 0.0176 0.0181 0.6338 0.1506 0.0498 0.0463 0.1784 6. C 0.0264 0.0092 0.6088 0.1538 0.0809 0.0592 0.1778 7. C 0.0983 0.0966 0.6446 0.1909 0.0909 0.0703 0.1727 8. C 0.0584 0.0901 0.5622 0.2164 0.0808 0.0543 0.1415 9. C 0.9525 0.0490 0.5469 0.0918 0.0697 0.0524 0.1939 10. C 0.0485 0.9523 0.5672 0.2304 0.0515 0.0555 0.0781 11. H 0.0018 0.0023 0.0655 0.0473 0.0262 0.0348 0.0216 12. H 0.0214 0.0384 0.0823 0.0148 0.0154 0.0336 0.0517 13. H 0.0020 0.0015 0.0666 0.0199 0.0309 0.0418 0.0492 14. H 0.0016 0.0056 0.0818 0.0330 0.0181 0.0097 0.0187 15. H 0.0086 0.0065 0.0693 0.0231 0.0133 0.0195 0.0249 16. H 0.0034 0.0012 0.0841 0.0184 0.0118 0.0169 0.0308 17. H 0.0241 0.0250 0.0747 0.0453 0.0736 0.0385 0.0389 18. H 0.0395 0.0220 0.0806 0.0421 0.0170 0.0141 0.0147 19. H 0.0000 0.0367 0.0671 0.0086 0.0100 0.0148 0.0326 20. H 0.0367 0.0000 0.0700 0.0315 0.0157 0.0080 0.0087 21. Mo 0.0671 0.0700 0.0000 0.8635 0.2517 0.2528 0.8610 22. S 0.0086 0.0315 0.8635 0.0000 0.9892 0.3123 0.1837 23. S 0.0100 0.0157 0.2517 0.9892 0.0000 1.0262 0.3210 24. S 0.0148 0.0080 0.2528 0.3123 1.0262 0.0000 0.9984 25. S 0.0326 0.0087 0.8610 0.1837 0.3210 0.9984 0.0000 NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 1.90 168.23159 7.76841 34 28 0 12 8 11 2 3 1.89 168.28409 7.71591 34 28 0 12 7 10 3 3 1.87 168.19232 7.80768 34 25 0 15 7 10 4 3 1.86 168.19232 7.80768 34 25 0 15 7 10 5 3 1.85 168.54775 7.45225 34 26 0 14 6 10 6 3 1.84 168.54775 7.45225 34 26 0 14 6 10 7 3 1.83 169.40946 6.59054 34 26 1 13 5 10 8 3 1.82 168.54714 7.45286 34 26 0 14 6 10 9 3 1.81 170.23487 5.76513 34 26 2 12 4 10 10 3 1.80 170.23487 5.76513 34 26 2 12 4 10 11 3 1.79 170.23487 5.76513 34 26 2 12 4 10 12 3 1.78 170.23487 5.76513 34 26 2 12 4 10 13 3 1.77 168.54725 7.45275 34 26 0 14 6 10 14 3 1.76 169.35705 6.64295 34 26 1 13 5 10 15 3 1.75 169.35705 6.64295 34 26 1 13 5 10 16 3 1.74 169.35705 6.64295 34 26 1 13 5 10 17 3 1.73 169.35705 6.64295 34 26 1 13 5 10 18 3 1.71 170.72242 5.27758 34 25 3 12 3 9 19 3 1.67 171.44440 4.55560 34 25 5 10 2 9 20 3 1.66 171.44440 4.55560 34 25 5 10 2 9 21 3 1.65 171.44440 4.55560 34 25 5 10 2 9 22 3 1.63 171.44440 4.55560 34 25 5 10 2 9 23 3 1.61 171.44440 4.55560 34 25 5 10 2 9 24 3 1.57 171.44440 4.55560 34 25 5 10 2 9 25 3 1.56 170.67267 5.32733 34 25 3 12 3 9 26 3 1.55 170.58972 5.41028 34 26 2 12 3 9 27 3 1.54 171.12043 4.87957 34 27 2 11 2 9 28 3 1.53 171.12043 4.87957 34 27 2 11 2 9 29 3 1.52 169.59337 6.40663 34 27 0 13 4 9 30 3 1.51 170.40988 5.59012 34 29 0 11 2 9 31 3 1.50 169.91107 6.08893 34 28 0 12 3 9 32 3 1.67 171.44440 4.55560 34 25 5 10 2 9 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Effective core 28.00000 Core 67.99902 ( 99.999% of 68) Valence Lewis 75.44538 ( 94.307% of 80) ================== ============================= Total Lewis 171.44440 ( 97.412% of 176) ----------------------------------------------------- Valence non-Lewis 4.22832 ( 2.402% of 176) Rydberg non-Lewis 0.32728 ( 0.186% of 176) ================== ============================= Total non-Lewis 4.55560 ( 2.588% of 176) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (1.99997) CR ( 1) C 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 2. (1.99997) CR ( 1) C 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 3. (1.99997) CR ( 1) C 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 4. (1.99997) CR ( 1) C 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 5. (1.99997) CR ( 1) C 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 6. (1.99997) CR ( 1) C 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 7. (1.99997) 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 8. (1.99997) 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 9. (1.99997) 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 10. (1.99997) CR ( 1) C 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 11. (1.99993) CR ( 1)Mo 21 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 12. (1.99982) CR ( 2)Mo 21 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 13. (1.99976) CR ( 3)Mo 21 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 14. (1.99984) CR ( 4)Mo 21 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 15. (2.00000) CR ( 1) S 22 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. (2.00000) CR ( 2) S 22 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. (2.00000) CR ( 3) S 22 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. (2.00000) CR ( 4) S 22 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. (1.99999) CR ( 5) S 22 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. (2.00000) CR ( 1) S 23 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. (2.00000) CR ( 2) S 23 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. (1.99999) CR ( 3) S 23 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. (1.99999) CR ( 4) S 23 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. (1.99999) CR ( 5) S 23 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. (2.00000) CR ( 1) S 24 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. (2.00000) CR ( 2) S 24 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. (1.99999) CR ( 3) S 24 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. (1.99999) CR ( 4) S 24 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. (1.99999) CR ( 5) S 24 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. (2.00000) CR ( 1) S 25 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 31. (2.00000) CR ( 2) S 25 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 32. (2.00000) CR ( 3) S 25 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 33. (2.00000) CR ( 4) S 25 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 34. (1.99999) CR ( 5) S 25 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 35. (0.90213) LP ( 1) C 3 s( 4.77%)p19.89( 94.79%)d 0.07( 0.33%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 0.2175 -0.0187 -0.0021 -0.0002 0.0001 0.0000 0.2704 -0.0219 -0.0012 -0.0021 -0.9255 -0.0310 0.0076 -0.0012 0.1285 -0.0146 -0.0005 -0.0022 0.0209 -0.0003 -0.0004 -0.0128 -0.0011 0.0000 0.0227 0.0000 -0.0002 -0.0429 0.0040 -0.0004 -0.0188 0.0026 -0.0005 0.0020 -0.0007 0.0093 0.0004 -0.0046 -0.0019 0.0180 0.0002 0.0074 0.0010 0.0219 0.0001 0.0019 -0.0019 -0.0025 -0.0006 0.0079 0.0017 -0.0020 0.0078 -0.0046 0.0005 0.0034 36. (1.71706) LP ( 1)Mo 21 s( 0.02%)p 0.43( 0.01%)d99.99( 99.94%) f 1.07( 0.02%)g 0.54( 0.01%) 0.0000 0.0097 0.0089 0.0057 0.0024 0.0009 -0.0002 0.0000 -0.0080 0.0045 0.0009 -0.0023 0.0000 -0.0002 -0.0005 -0.0002 0.0000 0.0000 -0.0012 0.0001 -0.0003 0.0001 0.0158 -0.0020 -0.0030 -0.0004 -0.0203 0.0027 -0.0014 0.0002 0.3150 -0.0197 -0.0032 0.0002 -0.2209 0.0359 -0.0024 -0.0003 0.9195 -0.0579 -0.0105 0.0020 0.0011 -0.0003 -0.0002 0.0051 -0.0036 -0.0002 -0.0027 0.0002 0.0003 0.0000 0.0004 0.0001 -0.0021 -0.0004 0.0000 -0.0120 0.0053 0.0004 0.0015 -0.0007 -0.0006 -0.0077 -0.0004 0.0000 0.0000 -0.0071 -0.0011 0.0014 -0.0007 -0.0005 0.0001 0.0002 0.0000 -0.0004 -0.0003 -0.0002 0.0000 -0.0002 -0.0001 37. (1.97104) LP ( 1) S 22 s( 73.03%)p 0.37( 26.93%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8545 -0.0022 0.0004 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0054 0.0000 -0.0002 0.0003 0.0000 0.0000 0.0137 0.0007 -0.0003 -0.0004 0.0000 0.0000 -0.5187 0.0031 -0.0049 -0.0024 0.0000 0.0000 0.0018 0.0008 0.0001 -0.0039 -0.0012 0.0008 -0.0001 -0.0002 0.0008 -0.0005 0.0000 -0.0081 -0.0035 -0.0014 -0.0002 -0.0143 0.0083 0.0007 -0.0001 -0.0034 0.0005 -0.0035 -0.0002 0.0004 0.0002 0.0003 -0.0008 0.0004 0.0002 0.0017 -0.0006 -0.0006 0.0001 0.0001 -0.0001 -0.0001 -0.0005 0.0002 0.0000 0.0002 -0.0002 -0.0001 38. (1.87303) LP ( 2) S 22 s( 0.14%)p99.99( 99.72%)d 0.83( 0.11%) f 0.21( 0.03%)g 0.01( 0.00%) 0.0000 0.0000 0.0370 0.0028 0.0005 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1844 0.0024 -0.0008 0.0001 0.0000 0.0000 -0.9806 0.0163 -0.0036 0.0014 0.0000 0.0000 0.0373 0.0016 0.0003 -0.0004 0.0000 -0.0099 0.0028 0.0003 0.0002 -0.0104 0.0032 0.0000 0.0000 -0.0277 0.0112 0.0013 -0.0002 -0.0045 0.0016 -0.0002 0.0001 -0.0019 0.0011 -0.0003 0.0000 0.0013 0.0000 -0.0014 -0.0002 -0.0031 0.0003 0.0008 -0.0002 -0.0036 0.0000 -0.0096 0.0002 -0.0130 0.0004 0.0003 -0.0001 0.0004 0.0004 0.0005 -0.0015 -0.0019 -0.0003 -0.0006 39. (1.99300) LP ( 1) S 23 s( 73.50%)p 0.36( 26.46%)d 0.00( 0.04%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.8572 -0.0151 0.0003 -0.0001 0.0000 0.0000 0.0000 0.0000 0.2131 -0.0013 0.0020 0.0019 0.0000 0.0000 -0.4561 -0.0071 -0.0018 -0.0013 -0.0001 0.0000 0.1053 0.0045 -0.0001 -0.0003 0.0000 0.0122 -0.0014 -0.0006 0.0002 -0.0092 -0.0021 -0.0008 -0.0002 -0.0055 -0.0018 -0.0016 -0.0001 0.0030 -0.0002 -0.0010 -0.0001 0.0083 -0.0009 -0.0005 0.0001 0.0020 -0.0002 -0.0011 0.0003 0.0044 -0.0011 -0.0010 0.0021 -0.0014 0.0002 -0.0042 0.0011 -0.0027 0.0007 0.0000 0.0000 0.0005 -0.0003 -0.0002 -0.0001 0.0007 0.0004 0.0004 40. (1.90347) LP ( 2) S 23 s( 3.22%)p30.01( 96.60%)d 0.04( 0.14%) f 0.01( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1794 0.0026 0.0008 0.0001 -0.0001 0.0000 0.0000 0.0000 0.5542 0.0169 -0.0001 0.0000 0.0000 0.0000 0.4378 0.0168 0.0031 -0.0008 0.0000 0.0000 -0.6828 -0.0206 -0.0022 0.0002 0.0000 0.0161 -0.0026 0.0006 0.0000 0.0196 -0.0022 -0.0014 0.0001 -0.0173 0.0007 0.0009 -0.0001 -0.0200 0.0010 0.0020 -0.0001 -0.0038 -0.0011 0.0002 -0.0001 -0.0062 0.0002 -0.0100 0.0014 -0.0076 0.0004 -0.0026 0.0009 0.0128 -0.0017 0.0015 -0.0010 -0.0012 0.0002 -0.0006 0.0015 -0.0018 0.0028 -0.0003 -0.0018 -0.0015 -0.0008 -0.0012 41. (1.99336) LP ( 1) S 24 s( 73.48%)p 0.36( 26.48%)d 0.00( 0.04%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.8570 -0.0164 0.0003 0.0000 0.0000 0.0000 0.0000 0.0000 0.1770 0.0027 0.0024 0.0018 0.0000 0.0000 0.4738 -0.0077 0.0017 0.0015 0.0001 0.0000 -0.0943 0.0036 0.0002 0.0002 0.0000 -0.0131 0.0020 0.0004 -0.0002 0.0105 0.0021 0.0013 0.0002 -0.0054 -0.0014 -0.0017 -0.0001 0.0045 0.0000 -0.0012 0.0000 0.0066 -0.0007 -0.0006 0.0001 -0.0019 0.0003 -0.0009 0.0002 -0.0045 0.0012 0.0013 -0.0021 -0.0010 -0.0003 -0.0048 0.0012 0.0016 -0.0004 0.0001 0.0000 0.0004 -0.0004 0.0002 -0.0001 0.0007 0.0005 -0.0003 42. (1.89837) LP ( 2) S 24 s( 2.71%)p35.83( 97.11%)d 0.05( 0.14%) f 0.01( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.1646 0.0044 0.0006 0.0000 -0.0001 0.0000 0.0000 0.0000 0.6093 -0.0187 -0.0001 -0.0001 0.0000 0.0000 -0.3918 0.0158 -0.0020 0.0008 0.0000 0.0000 0.6674 -0.0199 0.0025 -0.0002 0.0000 -0.0172 0.0023 0.0001 0.0000 -0.0182 0.0019 0.0013 -0.0001 -0.0195 0.0011 0.0012 -0.0001 -0.0181 0.0003 0.0023 -0.0001 -0.0018 -0.0011 0.0001 0.0000 0.0068 -0.0003 -0.0104 0.0014 0.0058 -0.0003 -0.0008 -0.0004 0.0136 -0.0020 0.0015 -0.0009 0.0019 -0.0006 -0.0006 -0.0014 -0.0020 0.0026 0.0009 0.0024 -0.0010 -0.0012 0.0008 43. (1.97234) LP ( 1) S 25 s( 73.94%)p 0.35( 26.01%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8599 -0.0017 0.0002 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0054 0.0001 -0.0001 0.0003 0.0000 0.0000 -0.0719 0.0003 -0.0005 -0.0001 0.0000 0.0000 0.5049 -0.0023 0.0047 0.0021 0.0000 -0.0002 -0.0024 -0.0008 -0.0001 0.0028 0.0017 -0.0008 0.0001 0.0051 -0.0008 -0.0002 0.0000 -0.0080 -0.0033 -0.0015 -0.0002 -0.0147 0.0082 0.0005 -0.0001 0.0035 -0.0006 -0.0034 -0.0001 -0.0023 -0.0002 -0.0010 0.0009 0.0012 0.0003 0.0012 -0.0005 0.0008 -0.0004 0.0001 0.0001 0.0001 -0.0003 -0.0002 0.0000 0.0002 -0.0002 0.0001 44. (1.87552) LP ( 2) S 25 s( 0.01%)p99.99( 99.82%)d12.18( 0.13%) f 2.82( 0.03%)g 0.07( 0.00%) 0.0000 0.0000 0.0103 -0.0017 0.0005 -0.0001 0.0001 0.0000 0.0000 0.0000 0.1845 -0.0048 0.0023 -0.0002 0.0000 0.0000 -0.9697 0.0168 -0.0038 0.0014 0.0000 0.0000 -0.1534 0.0058 -0.0009 -0.0007 0.0000 -0.0080 0.0009 0.0003 0.0002 -0.0114 0.0035 -0.0002 0.0000 0.0268 -0.0107 -0.0014 0.0002 0.0114 -0.0036 -0.0005 0.0000 0.0115 -0.0045 -0.0004 0.0000 -0.0008 0.0001 0.0023 0.0000 -0.0034 0.0006 -0.0054 0.0001 0.0009 0.0002 0.0111 -0.0005 -0.0118 0.0006 -0.0006 0.0002 -0.0003 0.0003 0.0009 -0.0013 0.0020 0.0007 -0.0002 45. (1.97507) BD ( 1) C 1- C 3 ( 50.03%) 0.7073* C 1 s( 32.08%)p 2.11( 67.71%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5664 -0.0006 0.0012 -0.0002 0.0005 0.0000 -0.0375 -0.0272 -0.0012 -0.0003 0.3755 -0.0278 -0.0084 0.0014 0.7300 -0.0099 0.0049 0.0029 0.0039 -0.0012 -0.0010 -0.0152 0.0000 0.0011 -0.0032 0.0115 0.0004 0.0066 0.0000 -0.0015 0.0317 0.0111 0.0001 0.0162 0.0015 -0.0031 -0.0008 0.0109 0.0012 -0.0036 -0.0002 0.0008 -0.0008 -0.0068 0.0007 -0.0003 0.0006 0.0075 0.0008 0.0061 -0.0051 -0.0022 0.0015 -0.0030 0.0017 0.0033 ( 49.97%) 0.7069* C 3 s( 32.03%)p 2.12( 67.76%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5659 -0.0016 0.0014 -0.0001 0.0004 0.0000 0.0612 -0.0296 -0.0015 0.0000 0.0386 -0.0214 -0.0101 0.0000 -0.8189 0.0160 0.0004 -0.0032 0.0072 -0.0012 -0.0014 0.0064 -0.0025 -0.0008 0.0259 -0.0013 -0.0010 -0.0012 0.0028 -0.0011 0.0234 0.0144 0.0005 -0.0175 -0.0022 0.0052 -0.0006 -0.0084 -0.0008 0.0011 0.0000 -0.0037 0.0006 -0.0053 0.0003 0.0008 0.0004 0.0097 -0.0033 0.0023 -0.0044 -0.0038 0.0002 0.0013 0.0004 0.0025 46. (1.96222) BD ( 1) C 1- C 6 ( 49.69%) 0.7049* C 1 s( 31.00%)p 2.22( 68.77%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5568 0.0027 0.0010 -0.0001 0.0003 0.0000 -0.7159 0.0025 -0.0006 -0.0023 -0.1825 -0.0013 -0.0093 -0.0001 -0.3744 0.0401 0.0064 -0.0010 0.0303 0.0047 -0.0006 -0.0052 0.0095 0.0018 0.0026 0.0058 -0.0001 0.0144 0.0091 -0.0007 -0.0138 -0.0036 -0.0004 0.0042 0.0009 0.0017 0.0013 0.0070 0.0000 -0.0067 -0.0011 -0.0106 -0.0008 -0.0035 -0.0008 -0.0150 -0.0009 -0.0010 -0.0100 -0.0018 0.0021 -0.0024 0.0019 0.0043 -0.0016 0.0036 ( 50.31%) 0.7093* C 6 s( 30.37%)p 2.29( 69.41%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5510 0.0039 0.0010 0.0002 -0.0001 0.0000 0.6513 -0.0204 0.0037 0.0023 0.5100 -0.0101 -0.0053 0.0024 0.0903 0.0317 0.0060 0.0003 0.0148 0.0105 0.0001 0.0241 0.0012 -0.0003 0.0146 0.0027 -0.0008 0.0211 0.0023 -0.0001 0.0049 -0.0081 -0.0016 -0.0071 -0.0016 -0.0058 -0.0004 0.0034 -0.0006 0.0074 -0.0001 0.0030 0.0013 0.0002 -0.0002 0.0161 0.0013 0.0056 -0.0062 -0.0006 -0.0005 -0.0059 0.0013 0.0045 -0.0025 0.0033 47. (1.98054) BD ( 1) C 1- H 11 ( 63.96%) 0.7998* C 1 s( 31.67%)p 2.15( 68.23%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5627 0.0038 -0.0011 0.0003 -0.0006 0.0000 0.6505 0.0137 0.0061 -0.0036 0.1572 -0.0012 -0.0015 -0.0006 -0.4838 -0.0064 -0.0037 0.0024 -0.0016 0.0041 -0.0012 -0.0047 -0.0121 -0.0001 0.0060 -0.0020 -0.0011 0.0100 0.0084 -0.0011 0.0000 0.0003 -0.0009 0.0060 0.0011 0.0084 0.0006 0.0017 0.0003 -0.0152 -0.0017 -0.0095 -0.0002 0.0059 0.0008 0.0096 -0.0001 -0.0053 0.0045 0.0010 0.0039 0.0045 -0.0046 -0.0018 0.0016 0.0008 ( 36.04%) 0.6003* H 11 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0028 -0.0001 0.0001 0.0237 -0.0060 0.0000 0.0073 0.0018 0.0002 -0.0167 0.0032 0.0002 0.0033 0.0008 -0.0104 -0.0023 -0.0033 -0.0004 0.0062 0.0016 0.0002 0.0002 -0.0032 -0.0026 -0.0002 0.0064 0.0020 -0.0037 -0.0022 48. (1.96344) BD ( 1) C 2- C 7 ( 50.27%) 0.7090* C 2 s( 30.33%)p 2.29( 69.44%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5507 0.0004 0.0013 0.0002 -0.0002 0.0000 0.4080 -0.0275 0.0013 0.0006 -0.5506 0.0176 0.0078 -0.0024 -0.4726 -0.0155 -0.0063 -0.0012 -0.0066 -0.0062 -0.0001 -0.0172 -0.0061 -0.0011 0.0145 0.0094 0.0001 0.0113 -0.0017 -0.0007 0.0287 -0.0018 -0.0016 0.0016 0.0006 0.0093 0.0013 -0.0099 -0.0014 -0.0061 0.0009 0.0093 0.0013 -0.0081 -0.0002 -0.0068 -0.0005 -0.0058 -0.0001 -0.0017 0.0046 -0.0074 0.0052 0.0024 0.0006 0.0008 ( 49.73%) 0.7052* C 7 s( 29.63%)p 2.37( 70.14%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5443 0.0040 0.0019 0.0003 -0.0002 0.0000 -0.4368 -0.0117 -0.0012 -0.0020 0.1021 0.0109 0.0100 0.0001 0.7060 -0.0355 -0.0036 0.0026 -0.0248 -0.0022 0.0009 -0.0136 -0.0122 -0.0009 0.0233 0.0059 0.0000 0.0083 0.0038 -0.0007 -0.0057 0.0081 0.0010 0.0013 -0.0005 -0.0104 -0.0012 0.0043 0.0009 -0.0006 0.0017 -0.0169 -0.0011 -0.0019 -0.0001 0.0044 -0.0001 -0.0055 -0.0069 0.0025 0.0044 -0.0048 0.0035 0.0003 -0.0006 -0.0005 49. (1.96958) BD ( 1) C 2- C 10 ( 49.33%) 0.7024* C 2 s( 30.55%)p 2.27( 69.21%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5526 0.0070 0.0015 0.0002 0.0001 0.0000 -0.8063 0.0301 0.0018 -0.0027 0.1025 -0.0109 0.0063 -0.0001 -0.1722 -0.0273 -0.0071 -0.0010 -0.0216 -0.0033 0.0003 0.0282 0.0047 -0.0005 -0.0086 0.0007 -0.0004 0.0127 0.0101 0.0003 0.0096 -0.0086 -0.0016 0.0081 0.0017 -0.0007 0.0003 -0.0051 0.0004 -0.0054 -0.0016 0.0100 0.0001 -0.0103 -0.0009 0.0126 0.0006 0.0030 -0.0073 0.0044 -0.0037 -0.0015 0.0033 -0.0055 0.0016 -0.0031 ( 50.67%) 0.7118* C 10 s( 31.84%)p 2.13( 67.92%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5643 0.0065 0.0011 0.0001 -0.0001 0.0000 0.5490 -0.0013 0.0065 0.0021 -0.4158 -0.0004 0.0057 -0.0019 0.4509 -0.0384 -0.0042 0.0015 -0.0206 -0.0080 0.0011 0.0065 0.0111 0.0007 0.0059 -0.0052 -0.0013 0.0298 0.0017 -0.0007 -0.0123 -0.0016 0.0000 -0.0049 -0.0010 -0.0032 -0.0007 -0.0053 0.0009 0.0128 0.0008 -0.0091 -0.0016 0.0039 -0.0002 -0.0128 -0.0010 -0.0043 -0.0068 0.0050 -0.0005 -0.0046 0.0016 -0.0046 0.0007 -0.0033 50. (1.97890) BD ( 1) C 2- H 12 ( 63.61%) 0.7976* C 2 s( 31.77%)p 2.14( 68.12%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5636 0.0036 -0.0019 -0.0003 0.0001 -0.0001 0.2229 0.0039 0.0040 -0.0012 0.0483 0.0086 0.0028 -0.0007 0.7931 0.0111 0.0055 -0.0040 0.0006 -0.0004 0.0014 0.0056 0.0065 -0.0003 0.0113 0.0014 -0.0007 0.0032 0.0014 -0.0012 0.0043 0.0132 -0.0007 0.0195 0.0013 0.0126 0.0016 0.0020 0.0005 0.0045 0.0002 -0.0015 0.0006 -0.0010 -0.0002 -0.0005 0.0001 0.0055 0.0075 0.0002 0.0001 0.0034 -0.0006 0.0022 -0.0008 -0.0013 ( 36.39%) 0.6032* H 12 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0025 0.0004 0.0001 0.0068 -0.0030 0.0000 0.0033 -0.0004 0.0001 0.0292 -0.0042 0.0007 0.0010 -0.0001 0.0057 0.0012 0.0010 0.0004 -0.0002 0.0003 0.0115 0.0025 -0.0062 -0.0055 -0.0024 -0.0015 -0.0007 -0.0002 -0.0001 51. (1.96468) BD ( 1) C 3- C 4 ( 49.60%) 0.7043* C 3 s( 31.24%)p 2.19( 68.53%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5590 0.0033 0.0009 0.0000 0.0003 0.0000 -0.7580 0.0072 0.0004 -0.0024 -0.0436 -0.0169 -0.0111 0.0001 0.3272 -0.0370 -0.0026 0.0005 0.0312 0.0005 -0.0013 -0.0040 -0.0088 -0.0013 -0.0008 -0.0030 -0.0007 0.0156 0.0116 -0.0004 -0.0118 -0.0019 -0.0006 -0.0112 -0.0007 0.0004 0.0012 0.0054 0.0002 0.0085 0.0010 0.0042 0.0010 -0.0085 -0.0014 -0.0127 -0.0005 0.0002 0.0097 0.0028 -0.0006 0.0031 -0.0045 -0.0034 0.0011 0.0025 ( 50.40%) 0.7099* C 4 s( 30.66%)p 2.25( 69.12%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5537 0.0054 0.0007 0.0003 -0.0002 0.0000 0.6644 -0.0180 0.0045 0.0026 0.4518 -0.0227 -0.0068 0.0020 -0.2096 -0.0271 -0.0033 -0.0010 0.0059 0.0102 0.0001 -0.0266 -0.0037 0.0005 0.0011 -0.0053 -0.0004 0.0269 0.0045 -0.0003 0.0046 -0.0058 -0.0016 0.0029 0.0014 -0.0069 -0.0001 -0.0003 0.0007 -0.0145 -0.0005 -0.0050 -0.0012 0.0036 0.0004 0.0116 0.0013 0.0039 0.0074 0.0057 -0.0020 -0.0020 -0.0002 -0.0043 0.0001 0.0038 52. (1.98137) BD ( 1) C 3- H 13 ( 63.74%) 0.7984* C 3 s( 31.67%)p 2.15( 68.22%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5628 0.0045 -0.0014 0.0002 -0.0005 0.0000 0.5881 0.0130 0.0056 -0.0033 0.3656 0.0018 0.0010 -0.0016 0.4499 0.0076 0.0051 -0.0024 0.0020 0.0086 -0.0011 0.0056 0.0098 0.0006 0.0008 0.0062 -0.0005 0.0108 0.0044 -0.0012 0.0035 -0.0005 -0.0010 -0.0079 -0.0012 0.0035 0.0008 0.0046 0.0002 0.0052 0.0012 0.0158 0.0010 -0.0028 0.0002 0.0130 0.0006 -0.0046 -0.0050 -0.0028 0.0047 0.0032 -0.0006 0.0050 -0.0009 0.0013 ( 36.26%) 0.6022* H 13 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0030 -0.0004 0.0002 0.0224 -0.0053 -0.0001 0.0138 -0.0007 0.0000 0.0150 -0.0046 -0.0003 0.0065 0.0016 0.0089 0.0018 0.0058 0.0012 0.0030 0.0009 -0.0013 0.0000 0.0033 -0.0020 -0.0013 -0.0037 -0.0054 -0.0007 -0.0044 53. (1.96736) BD ( 1) C 4- C 5 ( 49.66%) 0.7047* C 4 s( 29.60%)p 2.37( 70.17%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5440 0.0040 0.0015 0.0001 0.0000 0.0000 -0.5638 0.0393 0.0059 -0.0018 -0.1180 0.0021 -0.0082 0.0003 -0.6068 -0.0038 -0.0029 -0.0017 0.0135 0.0035 -0.0003 0.0077 0.0130 0.0012 0.0232 0.0013 -0.0002 -0.0012 0.0039 0.0001 0.0257 0.0042 -0.0012 -0.0019 -0.0007 -0.0091 -0.0022 -0.0089 -0.0004 -0.0037 -0.0004 -0.0174 -0.0007 -0.0033 -0.0003 -0.0008 -0.0006 -0.0073 0.0023 0.0019 0.0067 0.0058 -0.0013 0.0010 -0.0010 0.0001 ( 50.34%) 0.7095* C 5 s( 30.36%)p 2.29( 69.39%)d 0.01( 0.19%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5510 0.0054 0.0016 0.0002 0.0000 0.0000 0.2364 0.0203 0.0068 0.0008 0.4808 -0.0065 -0.0066 0.0027 0.6367 -0.0296 0.0004 0.0016 0.0194 0.0041 -0.0008 0.0260 0.0059 0.0003 0.0068 0.0094 0.0005 0.0236 -0.0038 -0.0015 0.0081 0.0069 0.0005 -0.0002 -0.0004 0.0121 0.0010 0.0133 0.0008 0.0036 0.0004 0.0056 0.0017 -0.0023 -0.0011 0.0090 -0.0002 -0.0040 0.0063 0.0024 0.0008 0.0075 -0.0035 -0.0018 0.0017 0.0007 54. (1.97995) BD ( 1) C 4- H 14 ( 63.06%) 0.7941* C 4 s( 31.67%)p 2.15( 68.23%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5627 0.0037 -0.0010 -0.0004 0.0000 0.0000 -0.2996 -0.0042 -0.0017 0.0014 0.1044 -0.0061 -0.0011 -0.0004 0.7625 0.0097 0.0099 -0.0043 0.0061 -0.0010 -0.0013 -0.0027 -0.0082 0.0000 -0.0043 0.0034 -0.0008 0.0024 0.0017 -0.0012 0.0078 0.0122 -0.0007 0.0124 0.0016 -0.0175 -0.0015 0.0088 0.0000 0.0045 0.0002 -0.0034 -0.0003 -0.0037 0.0000 0.0013 0.0002 0.0036 -0.0081 0.0001 0.0017 -0.0030 0.0010 0.0023 -0.0007 0.0012 ( 36.94%) 0.6078* H 14 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0016 -0.0012 0.0001 -0.0121 0.0002 -0.0005 0.0025 -0.0007 -0.0001 0.0272 -0.0053 0.0010 -0.0015 0.0000 -0.0081 -0.0016 0.0025 0.0007 0.0005 0.0004 0.0105 0.0023 -0.0056 0.0060 -0.0018 -0.0019 0.0006 0.0004 -0.0001 55. (1.96762) BD ( 1) C 5- C 6 ( 50.38%) 0.7098* C 5 s( 30.30%)p 2.29( 69.45%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5504 0.0067 0.0015 0.0002 0.0001 0.0000 0.3156 0.0164 0.0065 0.0011 0.2000 0.0067 -0.0061 0.0017 -0.7440 0.0318 0.0031 -0.0025 0.0078 0.0018 -0.0008 -0.0299 -0.0093 -0.0002 0.0097 -0.0037 -0.0006 0.0265 -0.0002 -0.0011 0.0011 0.0101 0.0008 -0.0051 0.0002 0.0126 0.0018 0.0027 0.0003 -0.0156 -0.0010 0.0018 -0.0013 0.0002 -0.0002 0.0042 -0.0003 -0.0030 -0.0091 -0.0034 0.0039 0.0023 -0.0017 0.0032 0.0004 0.0008 ( 49.62%) 0.7044* C 6 s( 29.47%)p 2.39( 70.30%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5428 0.0052 0.0013 0.0001 0.0001 0.0000 -0.6351 0.0387 0.0046 -0.0020 0.1316 0.0045 -0.0062 0.0009 0.5297 0.0074 0.0065 0.0012 0.0100 -0.0027 -0.0006 -0.0188 -0.0133 -0.0007 0.0013 0.0027 -0.0007 0.0054 0.0055 0.0002 0.0315 0.0005 -0.0013 0.0020 -0.0001 -0.0168 -0.0021 0.0009 0.0004 0.0080 0.0009 0.0054 -0.0011 -0.0105 -0.0003 0.0012 -0.0002 -0.0053 -0.0020 -0.0020 0.0081 0.0031 -0.0042 0.0033 -0.0013 -0.0010 56. (1.98101) BD ( 1) C 5- H 15 ( 62.20%) 0.7887* C 5 s( 30.70%)p 2.25( 69.19%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5540 0.0038 -0.0018 -0.0003 -0.0002 0.0000 -0.7922 -0.0067 -0.0070 0.0040 -0.2530 -0.0125 -0.0040 0.0017 0.0058 0.0026 0.0004 -0.0001 0.0146 0.0080 -0.0009 -0.0036 0.0000 0.0002 0.0000 0.0001 -0.0007 -0.0042 0.0124 -0.0010 0.0007 -0.0083 -0.0009 -0.0008 -0.0001 0.0115 0.0013 0.0046 0.0006 0.0000 0.0000 -0.0013 0.0001 -0.0139 -0.0006 -0.0139 -0.0013 0.0062 -0.0003 0.0019 -0.0049 -0.0035 0.0006 -0.0008 0.0011 0.0045 ( 37.80%) 0.6148* H 15 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0018 -0.0009 0.0001 -0.0284 0.0050 -0.0012 -0.0129 -0.0017 -0.0007 0.0014 0.0008 0.0002 0.0064 0.0018 0.0000 -0.0001 -0.0006 0.0002 0.0088 0.0026 -0.0073 -0.0014 0.0003 -0.0046 -0.0019 -0.0003 0.0000 0.0035 0.0062 57. (1.98027) BD ( 1) C 6- H 16 ( 63.22%) 0.7951* C 6 s( 31.70%)p 2.15( 68.19%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5631 0.0041 -0.0012 -0.0003 0.0000 0.0000 -0.2058 -0.0029 -0.0005 0.0009 -0.2092 -0.0098 -0.0047 0.0013 -0.7717 -0.0075 -0.0082 0.0041 0.0050 0.0018 -0.0012 -0.0008 0.0056 0.0005 0.0093 0.0064 -0.0006 -0.0002 0.0003 -0.0013 0.0029 0.0126 -0.0007 -0.0165 -0.0012 -0.0117 -0.0010 -0.0105 -0.0015 -0.0020 0.0005 -0.0078 -0.0004 -0.0017 0.0001 -0.0003 0.0002 0.0031 0.0070 0.0052 -0.0015 0.0020 -0.0016 -0.0017 0.0006 0.0009 ( 36.78%) 0.6065* H 16 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0018 -0.0010 0.0001 -0.0087 -0.0005 -0.0003 -0.0080 0.0019 -0.0005 -0.0277 0.0049 -0.0010 0.0011 0.0005 0.0058 0.0011 0.0054 0.0012 -0.0008 0.0002 0.0110 0.0024 0.0053 0.0038 0.0053 -0.0003 0.0024 -0.0003 0.0003 58. (1.96123) BD ( 1) C 7- C 8 ( 49.89%) 0.7064* C 7 s( 29.73%)p 2.36( 70.04%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5453 0.0035 0.0017 0.0003 -0.0002 0.0000 -0.4523 -0.0119 -0.0013 -0.0019 -0.2193 0.0266 0.0100 -0.0011 -0.6679 0.0266 -0.0015 -0.0023 -0.0168 0.0035 0.0013 0.0236 0.0118 0.0006 -0.0140 0.0035 0.0003 0.0179 0.0047 -0.0008 0.0094 0.0084 0.0008 -0.0026 0.0001 -0.0181 -0.0015 -0.0010 -0.0002 -0.0038 -0.0016 0.0020 -0.0001 -0.0076 -0.0005 0.0036 -0.0011 -0.0019 0.0082 -0.0021 0.0062 0.0016 -0.0007 0.0042 -0.0018 -0.0015 ( 50.11%) 0.7079* C 8 s( 30.30%)p 2.29( 69.48%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5504 -0.0005 0.0010 -0.0001 -0.0003 0.0000 0.4338 -0.0272 0.0019 0.0007 -0.2575 0.0236 0.0093 -0.0015 0.6625 0.0074 0.0022 0.0020 0.0024 -0.0030 0.0004 0.0195 0.0081 0.0010 0.0164 -0.0072 -0.0015 0.0102 0.0033 -0.0003 0.0269 0.0051 -0.0010 0.0035 0.0011 0.0144 0.0018 0.0017 -0.0011 0.0133 0.0007 -0.0032 0.0000 -0.0035 0.0003 -0.0011 -0.0005 -0.0057 0.0067 -0.0023 0.0055 -0.0051 0.0018 0.0024 0.0006 -0.0002 59. (1.97761) BD ( 1) C 7- H 17 ( 64.33%) 0.8020* C 7 s( 31.74%)p 2.15( 68.15%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5634 0.0027 -0.0010 -0.0005 0.0002 0.0000 0.7405 0.0170 0.0090 -0.0034 -0.3565 0.0018 -0.0008 0.0015 0.0754 -0.0007 0.0002 -0.0003 0.0046 -0.0111 0.0012 -0.0013 0.0025 -0.0003 0.0022 -0.0001 -0.0009 0.0110 0.0100 -0.0010 -0.0014 -0.0065 -0.0014 -0.0017 -0.0002 -0.0113 -0.0015 0.0039 0.0004 0.0040 0.0002 -0.0038 -0.0002 0.0006 0.0011 -0.0194 -0.0013 0.0058 -0.0018 0.0029 -0.0042 0.0039 -0.0004 -0.0016 0.0002 -0.0049 ( 35.67%) 0.5973* H 17 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0042 -0.0007 0.0001 0.0272 -0.0067 0.0000 -0.0098 0.0011 0.0005 0.0016 -0.0005 -0.0001 -0.0086 -0.0025 0.0016 0.0005 -0.0015 -0.0001 0.0066 0.0020 -0.0073 -0.0014 0.0009 0.0048 -0.0018 -0.0011 0.0007 -0.0033 0.0066 60. (1.97149) BD ( 1) C 8- C 9 ( 49.20%) 0.7014* C 8 s( 30.88%)p 2.23( 68.88%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5557 0.0068 0.0015 -0.0003 0.0000 0.0000 -0.7993 0.0318 0.0013 -0.0028 0.1756 0.0038 0.0091 0.0005 0.1306 0.0288 0.0033 0.0009 -0.0307 -0.0051 0.0005 -0.0157 -0.0032 0.0002 0.0174 -0.0024 -0.0008 0.0067 0.0108 0.0003 -0.0020 -0.0070 -0.0014 -0.0007 -0.0016 0.0083 0.0002 -0.0066 -0.0007 0.0029 0.0012 -0.0121 -0.0004 -0.0035 -0.0007 0.0147 0.0014 0.0064 0.0070 -0.0002 -0.0040 0.0037 -0.0019 0.0023 -0.0011 -0.0046 ( 50.80%) 0.7127* C 9 s( 32.39%)p 2.08( 67.37%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5691 0.0062 0.0011 0.0001 -0.0001 0.0000 0.5465 -0.0005 0.0065 0.0022 -0.5702 0.0174 0.0067 -0.0023 -0.2198 0.0345 0.0007 -0.0006 -0.0210 -0.0121 0.0007 0.0025 -0.0065 -0.0012 0.0015 0.0028 0.0003 0.0311 -0.0003 -0.0013 -0.0102 -0.0045 -0.0008 0.0108 0.0000 -0.0082 -0.0015 -0.0006 0.0008 -0.0006 -0.0009 0.0061 0.0004 -0.0009 -0.0007 -0.0166 -0.0015 0.0040 0.0078 -0.0040 0.0018 0.0035 0.0012 0.0050 -0.0024 -0.0029 61. (1.98069) BD ( 1) C 8- H 18 ( 63.72%) 0.7983* C 8 s( 31.97%)p 2.13( 67.93%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 0.5654 0.0039 -0.0017 0.0003 0.0001 -0.0001 0.2020 0.0022 0.0037 -0.0012 -0.3266 0.0008 -0.0001 0.0012 -0.7291 -0.0138 -0.0059 0.0039 -0.0030 -0.0028 0.0014 -0.0038 -0.0053 -0.0004 -0.0004 0.0088 -0.0006 0.0058 -0.0007 -0.0013 0.0105 0.0097 -0.0007 -0.0086 -0.0010 0.0074 0.0017 -0.0185 -0.0011 0.0043 0.0000 0.0080 0.0006 -0.0042 -0.0002 -0.0014 0.0000 0.0010 -0.0068 0.0056 -0.0019 -0.0037 0.0018 -0.0025 0.0007 -0.0009 ( 36.28%) 0.6023* H 18 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 -0.0023 0.0005 0.0000 0.0053 -0.0039 -0.0001 -0.0120 0.0005 -0.0004 -0.0279 0.0041 -0.0007 -0.0020 -0.0006 -0.0050 -0.0009 0.0077 0.0016 -0.0022 -0.0001 0.0090 0.0019 0.0043 -0.0042 0.0057 -0.0004 -0.0031 0.0006 0.0005 62. (1.97315) BD ( 1) C 9- C 10 ( 49.97%) 0.7069* C 9 s( 30.98%)p 2.22( 68.79%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5566 0.0024 0.0011 0.0003 -0.0002 0.0000 -0.1652 0.0342 0.0071 -0.0002 0.0855 -0.0093 0.0058 -0.0005 0.8073 -0.0145 0.0009 0.0024 -0.0029 -0.0021 0.0010 0.0205 -0.0051 -0.0017 0.0178 0.0023 0.0000 0.0051 -0.0023 -0.0006 0.0258 0.0124 0.0003 0.0160 0.0021 -0.0003 0.0001 0.0133 0.0002 0.0017 -0.0006 -0.0027 0.0002 -0.0048 0.0000 -0.0019 0.0005 0.0074 -0.0049 0.0059 -0.0031 0.0031 0.0009 -0.0029 -0.0007 -0.0021 ( 50.03%) 0.7073* C 10 s( 30.87%)p 2.23( 68.91%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5556 0.0032 0.0011 0.0003 -0.0001 0.0000 -0.1938 0.0349 0.0070 -0.0003 -0.3098 -0.0015 0.0047 -0.0016 -0.7443 0.0161 -0.0036 -0.0020 -0.0125 0.0011 0.0016 -0.0152 0.0061 0.0010 0.0118 0.0069 -0.0001 0.0059 -0.0032 -0.0005 0.0298 0.0101 0.0003 -0.0164 -0.0011 -0.0022 0.0000 -0.0118 -0.0015 -0.0004 0.0008 -0.0017 -0.0001 -0.0057 0.0001 -0.0036 0.0009 0.0074 0.0016 0.0051 -0.0036 0.0047 -0.0032 -0.0001 -0.0019 -0.0033 63. (1.98046) BD ( 1) C 9- H 19 ( 62.46%) 0.7903* C 9 s( 30.95%)p 2.23( 68.94%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5563 0.0025 -0.0016 -0.0003 0.0002 0.0000 -0.6193 -0.0062 -0.0043 0.0030 0.1650 0.0096 0.0031 -0.0011 -0.5275 -0.0077 -0.0055 0.0028 -0.0119 -0.0036 0.0013 0.0034 0.0134 -0.0002 -0.0076 -0.0021 -0.0010 -0.0013 0.0073 -0.0008 0.0049 0.0021 -0.0010 0.0066 0.0008 -0.0104 -0.0011 0.0004 0.0005 -0.0151 -0.0010 0.0065 0.0012 -0.0081 -0.0005 0.0074 0.0003 -0.0059 -0.0018 0.0000 0.0045 -0.0058 0.0034 -0.0021 0.0004 -0.0006 ( 37.54%) 0.6127* H 19 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0016 -0.0010 0.0000 -0.0221 0.0032 -0.0008 0.0094 0.0017 0.0005 -0.0194 0.0035 -0.0007 -0.0026 -0.0009 0.0110 0.0024 -0.0033 -0.0005 0.0053 0.0014 0.0007 0.0005 -0.0021 0.0043 -0.0011 0.0051 -0.0037 0.0018 -0.0027 64. (1.98017) BD ( 1) C 10- H 20 ( 62.50%) 0.7905* C 10 s( 30.94%)p 2.23( 68.95%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5562 0.0024 -0.0015 -0.0003 0.0001 0.0000 -0.6045 -0.0058 -0.0043 0.0029 0.3979 0.0125 0.0055 -0.0022 0.4068 0.0020 0.0036 -0.0020 -0.0114 -0.0093 0.0012 0.0029 -0.0103 -0.0005 0.0070 0.0062 -0.0006 -0.0056 0.0047 -0.0009 -0.0021 -0.0012 -0.0011 -0.0078 -0.0011 -0.0025 -0.0001 0.0012 0.0000 0.0071 0.0004 -0.0153 -0.0017 -0.0008 0.0005 0.0136 0.0007 -0.0032 0.0060 -0.0034 0.0034 -0.0022 0.0019 0.0049 -0.0022 -0.0009 ( 37.50%) 0.6124* H 20 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) 0.9994 0.0015 -0.0011 0.0000 -0.0214 0.0034 -0.0008 0.0181 -0.0001 0.0009 0.0131 -0.0038 0.0003 -0.0073 -0.0019 -0.0087 -0.0018 0.0048 0.0013 0.0028 0.0009 -0.0024 -0.0002 0.0035 0.0006 -0.0007 -0.0017 0.0060 -0.0015 -0.0046 65. (1.95790) BD ( 1)Mo 21- S 22 ( 38.01%) 0.6165*Mo 21 s( 7.91%)p 0.01( 0.09%)d11.61( 91.86%) f 0.01( 0.10%)g 0.01( 0.04%) 0.0000 0.2799 0.0278 -0.0041 -0.0012 -0.0011 0.0000 0.0000 0.0142 0.0204 0.0018 -0.0009 0.0000 -0.0012 -0.0053 0.0008 0.0005 0.0000 -0.0019 -0.0164 0.0012 0.0019 -0.2684 -0.0147 -0.0028 -0.0014 -0.6490 -0.0128 -0.0118 -0.0026 0.2613 0.0267 -0.0006 0.0019 0.5920 0.0626 -0.0028 0.0031 0.0374 -0.0056 0.0044 -0.0017 0.0046 0.0028 -0.0013 0.0167 0.0029 -0.0007 -0.0097 0.0011 -0.0011 -0.0176 -0.0024 0.0005 0.0119 0.0033 -0.0001 0.0019 0.0012 0.0010 -0.0084 -0.0018 0.0001 -0.0136 0.0009 0.0045 0.0004 -0.0066 0.0001 0.0088 -0.0010 -0.0032 0.0003 -0.0036 -0.0003 0.0050 0.0000 -0.0042 0.0005 -0.0013 -0.0003 ( 61.99%) 0.7873* S 22 s( 17.02%)p 4.84( 82.45%)d 0.03( 0.48%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.4124 -0.0136 0.0016 0.0007 -0.0001 0.0000 0.0000 0.0000 -0.5726 -0.0079 0.0061 0.0003 0.0000 0.0000 0.1494 0.0007 -0.0015 0.0001 0.0000 0.0000 0.6886 -0.0069 -0.0023 -0.0007 0.0000 -0.0110 0.0042 -0.0001 -0.0001 -0.0560 0.0105 0.0001 -0.0003 0.0175 -0.0031 0.0001 0.0001 0.0140 -0.0066 0.0001 0.0001 0.0292 -0.0072 -0.0009 0.0001 -0.0052 0.0010 -0.0003 -0.0013 0.0012 0.0004 0.0146 -0.0011 -0.0085 0.0003 -0.0065 0.0000 0.0078 -0.0001 -0.0022 0.0008 0.0000 0.0032 -0.0016 -0.0017 0.0020 0.0000 -0.0004 66. (1.95623) BD ( 1)Mo 21- S 25 ( 38.53%) 0.6207*Mo 21 s( 7.50%)p 0.01( 0.09%)d12.31( 92.26%) f 0.01( 0.11%)g 0.01( 0.04%) 0.0000 0.2724 0.0274 -0.0040 -0.0007 -0.0012 0.0001 0.0000 0.0146 0.0201 0.0012 -0.0013 0.0000 0.0026 0.0030 0.0003 0.0000 0.0000 0.0037 0.0166 -0.0003 -0.0018 0.1236 0.0095 -0.0004 0.0011 0.7033 0.0123 0.0121 0.0017 0.1695 0.0184 -0.0015 0.0006 0.6082 0.0629 -0.0024 0.0027 0.0962 0.0000 0.0032 -0.0010 -0.0011 -0.0028 0.0016 0.0209 0.0035 -0.0008 0.0072 -0.0004 0.0004 0.0216 0.0022 -0.0003 0.0093 0.0023 -0.0002 0.0029 0.0017 0.0010 0.0059 0.0009 -0.0002 -0.0124 0.0007 -0.0021 -0.0005 -0.0079 0.0004 0.0102 -0.0008 -0.0004 0.0000 0.0052 0.0002 0.0034 -0.0004 -0.0034 0.0006 0.0023 0.0001 ( 61.47%) 0.7840* S 25 s( 16.13%)p 5.16( 83.27%)d 0.03( 0.56%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.4014 -0.0144 0.0014 0.0007 -0.0001 0.0000 0.0000 0.0000 -0.5981 -0.0078 0.0060 0.0006 0.0000 0.0000 -0.0005 -0.0032 0.0004 -0.0003 0.0000 0.0000 -0.6891 0.0060 0.0035 0.0010 0.0000 0.0011 -0.0025 0.0000 0.0001 0.0622 -0.0115 0.0000 0.0002 0.0013 0.0028 0.0004 0.0001 0.0186 -0.0065 0.0001 0.0002 0.0333 -0.0080 -0.0008 0.0001 0.0038 -0.0010 -0.0027 -0.0011 0.0029 -0.0005 -0.0151 0.0011 -0.0054 0.0007 -0.0083 0.0003 -0.0057 0.0003 -0.0023 -0.0005 0.0000 0.0036 0.0009 0.0024 0.0010 0.0004 0.0002 67. (1.98182) BD ( 1) S 22- S 23 ( 47.64%) 0.6902* S 22 s( 9.91%)p 8.98( 88.99%)d 0.10( 0.99%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3121 0.0418 -0.0011 0.0007 0.0000 0.0000 0.0000 0.0000 0.7887 0.0563 -0.0008 0.0004 0.0000 0.0000 -0.1185 -0.0134 -0.0001 0.0003 0.0000 0.0000 0.5005 -0.0006 -0.0045 0.0022 0.0000 -0.0090 -0.0053 0.0004 0.0000 0.0784 0.0003 0.0008 -0.0001 -0.0045 -0.0077 0.0005 -0.0002 0.0512 0.0114 -0.0003 0.0000 0.0138 -0.0247 0.0003 0.0000 -0.0076 -0.0030 0.0010 0.0015 0.0043 -0.0013 0.0199 0.0033 -0.0031 -0.0011 0.0192 0.0010 -0.0121 0.0005 -0.0016 -0.0042 0.0010 0.0024 -0.0002 0.0060 -0.0031 0.0028 -0.0016 ( 52.36%) 0.7236* S 23 s( 12.05%)p 7.17( 86.34%)d 0.12( 1.47%) f 0.01( 0.14%)g 0.00( 0.01%) 0.0000 0.0000 0.3455 0.0326 -0.0047 0.0002 0.0002 0.0000 0.0000 0.0000 -0.7955 0.0237 0.0066 0.0025 0.0000 0.0000 0.1715 0.0165 -0.0063 -0.0009 0.0000 0.0000 -0.4457 0.0386 -0.0031 0.0017 -0.0001 -0.0456 0.0052 0.0016 -0.0002 0.0714 0.0009 -0.0027 0.0001 -0.0167 -0.0040 0.0009 0.0001 0.0793 -0.0029 -0.0012 0.0001 -0.0296 0.0033 0.0004 -0.0001 0.0151 0.0000 -0.0040 0.0007 -0.0053 0.0007 -0.0263 0.0017 0.0033 0.0006 -0.0149 0.0003 0.0126 -0.0006 -0.0022 -0.0045 0.0002 0.0038 -0.0011 0.0079 -0.0027 0.0032 -0.0025 68. (1.98723) BD ( 1) S 23- S 24 ( 49.72%) 0.7051* S 23 s( 11.38%)p 7.66( 87.12%)d 0.12( 1.39%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3350 0.0389 0.0039 0.0000 -0.0001 0.0000 0.0000 0.0000 -0.0138 -0.0260 0.0070 -0.0004 0.0001 0.0000 0.7484 -0.0296 -0.0004 0.0016 -0.0001 0.0000 0.5548 -0.0386 0.0022 0.0016 -0.0001 -0.0195 0.0061 -0.0002 -0.0001 -0.0170 0.0020 -0.0002 -0.0001 0.0983 0.0042 -0.0001 0.0002 -0.0583 -0.0075 0.0015 -0.0002 0.0018 0.0035 0.0008 -0.0001 -0.0158 0.0009 0.0034 -0.0007 0.0166 0.0000 -0.0213 -0.0007 -0.0004 -0.0007 0.0045 -0.0001 -0.0064 -0.0015 -0.0037 0.0004 -0.0010 -0.0076 -0.0002 -0.0010 -0.0065 0.0012 -0.0003 ( 50.28%) 0.7091* S 24 s( 11.67%)p 7.44( 86.81%)d 0.12( 1.40%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3390 0.0417 0.0035 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0487 0.0281 0.0065 -0.0001 0.0001 0.0000 -0.7404 -0.0260 0.0014 -0.0014 0.0001 0.0000 -0.5608 -0.0385 -0.0024 -0.0014 0.0000 0.0108 -0.0085 0.0002 0.0001 0.0085 -0.0027 0.0002 0.0001 0.1002 0.0039 0.0000 0.0002 -0.0600 -0.0065 0.0012 -0.0002 0.0044 0.0031 0.0011 -0.0001 0.0157 -0.0010 0.0052 -0.0009 -0.0166 0.0001 0.0215 0.0005 0.0035 -0.0007 0.0030 -0.0005 0.0073 0.0013 -0.0038 -0.0003 -0.0009 -0.0078 -0.0013 0.0026 -0.0060 0.0010 0.0007 69. (1.98111) BD ( 1) S 24- S 25 ( 52.24%) 0.7228* S 24 s( 12.31%)p 6.99( 86.05%)d 0.12( 1.49%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 0.3492 0.0339 -0.0041 0.0002 0.0003 0.0000 0.0000 0.0000 -0.7621 -0.0231 0.0058 0.0021 0.0000 0.0000 -0.2512 0.0115 0.0062 0.0012 0.0000 0.0000 0.4628 0.0401 0.0042 -0.0016 0.0001 0.0582 -0.0043 -0.0024 0.0002 -0.0719 -0.0020 0.0029 -0.0002 -0.0251 -0.0042 0.0012 0.0000 0.0698 -0.0026 -0.0007 0.0001 -0.0282 0.0040 0.0004 -0.0001 -0.0148 -0.0002 -0.0056 0.0007 0.0040 -0.0006 0.0249 -0.0015 0.0096 0.0002 -0.0103 0.0001 -0.0158 0.0004 -0.0025 0.0043 0.0005 0.0039 0.0022 -0.0066 -0.0052 0.0019 0.0036 ( 47.76%) 0.6911* S 25 s( 10.00%)p 8.88( 88.86%)d 0.10( 1.03%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3138 0.0400 -0.0002 0.0006 0.0001 0.0000 0.0000 0.0000 0.7692 0.0566 0.0001 0.0009 0.0000 0.0000 0.2283 0.0128 -0.0007 0.0000 0.0000 0.0000 -0.4913 0.0006 0.0048 -0.0022 0.0000 0.0247 0.0075 -0.0006 0.0001 -0.0784 -0.0020 -0.0009 0.0000 -0.0201 -0.0029 0.0006 -0.0002 0.0453 0.0127 -0.0002 0.0000 0.0151 -0.0247 0.0005 0.0000 0.0073 0.0029 0.0023 0.0013 -0.0009 0.0009 -0.0178 -0.0027 -0.0096 -0.0015 0.0156 0.0004 0.0162 0.0000 -0.0017 0.0041 0.0010 0.0020 0.0009 -0.0050 -0.0045 0.0014 0.0028 70. (1.71179) 3C ( 1) C 1- C 6-Mo 21 ( 38.21%) 0.6182* C 1 s( 4.97%)p19.01( 94.56%)d 0.07( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 0.2221 -0.0203 -0.0022 -0.0008 0.0003 0.0000 0.2458 -0.0264 -0.0041 -0.0033 -0.8917 -0.0204 0.0041 -0.0009 0.2972 0.0205 -0.0080 0.0005 0.0299 0.0054 0.0007 0.0012 -0.0075 0.0005 -0.0373 0.0107 -0.0001 -0.0316 -0.0071 -0.0002 0.0041 -0.0013 -0.0016 0.0100 0.0015 0.0032 0.0004 -0.0077 0.0011 -0.0092 0.0020 0.0097 -0.0005 0.0238 0.0016 -0.0066 -0.0016 0.0071 0.0024 -0.0031 0.0015 -0.0030 -0.0060 0.0068 -0.0015 -0.0024 ( 45.00%) 0.6708* C 6 s( 8.21%)p11.12( 91.35%)d 0.04( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2852 -0.0280 -0.0012 0.0005 0.0001 0.0000 0.3539 0.0124 0.0009 0.0013 -0.8210 -0.0075 0.0080 0.0017 0.3354 0.0387 -0.0032 0.0022 -0.0143 -0.0052 -0.0002 0.0259 -0.0011 0.0006 -0.0450 0.0054 0.0002 0.0064 0.0090 -0.0005 0.0148 0.0008 -0.0013 0.0017 0.0001 0.0026 -0.0010 -0.0242 0.0007 0.0124 0.0019 -0.0033 0.0009 0.0109 0.0017 -0.0016 -0.0001 -0.0039 -0.0081 0.0022 -0.0037 0.0048 0.0005 -0.0029 0.0031 0.0037 ( 16.78%) 0.4097*Mo 21 s( 49.38%)p 0.00( 0.19%)d 1.02( 50.22%) f 0.00( 0.18%)g 0.00( 0.04%) 0.0000 0.7020 0.0246 -0.0183 0.0069 0.0022 -0.0001 0.0000 -0.0006 0.0012 0.0033 -0.0026 0.0000 -0.0082 0.0123 -0.0002 0.0010 0.0000 -0.0334 -0.0208 0.0086 -0.0067 0.0423 -0.0258 -0.0068 0.0005 -0.0589 0.0043 -0.0272 -0.0072 -0.6653 -0.0299 -0.0058 0.0029 -0.0936 -0.0544 -0.0059 -0.0020 0.1943 -0.0469 -0.0122 -0.0011 0.0136 0.0129 -0.0023 0.0054 -0.0020 0.0003 -0.0126 0.0142 -0.0013 -0.0013 0.0070 0.0017 0.0157 0.0033 0.0018 0.0229 -0.0060 0.0033 -0.0132 -0.0028 -0.0001 -0.0085 -0.0004 -0.0076 0.0017 0.0081 -0.0012 0.0018 -0.0034 -0.0023 -0.0031 -0.0051 -0.0019 0.0089 -0.0008 0.0020 -0.0016 0.0003 -0.0035 71. (1.67115) 3C ( 1) C 2- C 7- C 10 ( 51.76%) 0.7194* C 2 s( 7.14%)p12.95( 92.42%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2655 -0.0297 -0.0003 0.0004 -0.0003 0.0000 0.3594 -0.0047 -0.0010 -0.0008 0.8239 0.0142 -0.0053 -0.0002 -0.3388 -0.0340 0.0014 -0.0033 -0.0029 -0.0044 0.0004 -0.0193 0.0023 -0.0004 -0.0501 0.0031 -0.0005 -0.0160 0.0035 -0.0009 0.0150 0.0026 -0.0006 -0.0008 -0.0004 0.0155 0.0002 0.0211 -0.0008 -0.0005 -0.0016 0.0113 0.0018 0.0082 0.0018 0.0032 0.0010 -0.0058 -0.0026 0.0068 0.0042 0.0022 -0.0047 0.0002 -0.0033 -0.0035 ( 20.60%) 0.4539* C 7 s( 8.72%)p10.39( 90.59%)d 0.07( 0.59%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2927 -0.0389 -0.0008 0.0009 -0.0004 0.0000 0.2321 -0.0183 0.0042 -0.0025 0.8976 0.0304 0.0020 0.0015 -0.2121 0.0004 0.0090 0.0033 -0.0281 -0.0062 -0.0008 0.0013 0.0135 -0.0016 -0.0174 0.0187 0.0011 -0.0635 -0.0008 -0.0027 -0.0126 -0.0051 -0.0009 0.0001 -0.0017 -0.0115 0.0011 0.0001 0.0019 -0.0033 -0.0033 0.0024 -0.0011 0.0268 0.0018 -0.0061 0.0015 0.0010 0.0037 -0.0012 -0.0024 -0.0074 0.0039 -0.0005 0.0054 0.0000 ( 27.64%) 0.5258* C 10 s( 6.19%)p15.07( 93.32%)d 0.06( 0.39%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2461 -0.0369 0.0016 0.0006 0.0000 0.0001 0.5396 0.0290 0.0001 0.0040 0.7537 0.0045 -0.0021 -0.0019 -0.2699 -0.0099 0.0049 0.0015 0.0385 0.0025 0.0012 -0.0227 0.0039 0.0005 -0.0212 0.0158 -0.0006 0.0322 0.0093 0.0010 -0.0050 -0.0002 -0.0020 -0.0100 -0.0009 0.0037 -0.0006 0.0012 0.0001 -0.0091 0.0011 -0.0085 0.0026 0.0241 0.0027 0.0077 -0.0004 0.0058 -0.0031 -0.0024 -0.0006 -0.0005 0.0087 -0.0015 0.0007 0.0022 72. (1.79987) 3C ( 1) C 4- C 5-Mo 21 ( 38.50%) 0.6205* C 4 s( 7.85%)p11.69( 91.74%)d 0.04( 0.31%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2786 -0.0286 -0.0008 0.0009 -0.0001 0.0000 0.3821 0.0089 -0.0077 -0.0012 -0.8749 -0.0228 0.0040 -0.0014 0.0650 -0.0324 -0.0034 -0.0034 -0.0251 0.0082 0.0000 -0.0132 -0.0059 0.0015 0.0390 0.0042 -0.0001 -0.0152 -0.0019 -0.0016 -0.0203 0.0004 -0.0001 0.0211 0.0003 -0.0045 0.0004 -0.0147 -0.0016 0.0068 0.0005 0.0103 -0.0017 0.0078 0.0019 -0.0019 -0.0002 0.0029 0.0004 -0.0043 -0.0038 0.0077 -0.0067 -0.0002 0.0038 0.0016 ( 36.66%) 0.6054* C 5 s( 8.51%)p10.69( 91.00%)d 0.05( 0.39%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 0.2890 -0.0398 -0.0011 0.0008 0.0000 0.0000 0.4616 0.0362 -0.0034 0.0017 -0.8116 -0.0096 0.0041 0.0015 0.1916 0.0119 0.0055 0.0024 -0.0519 0.0035 -0.0003 0.0187 0.0013 0.0016 -0.0086 -0.0076 -0.0004 0.0185 0.0102 -0.0014 -0.0154 0.0063 0.0002 0.0003 0.0010 0.0096 0.0020 0.0024 -0.0010 0.0056 0.0013 0.0027 0.0003 0.0143 0.0015 -0.0213 0.0005 -0.0011 0.0031 0.0036 0.0081 -0.0041 -0.0004 0.0022 -0.0057 0.0013 ( 24.85%) 0.4985*Mo 21 s( 8.91%)p 0.01( 0.09%)d10.20( 90.88%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 0.2983 0.0016 -0.0088 0.0075 0.0015 0.0002 0.0000 -0.0090 -0.0149 0.0037 -0.0035 0.0000 0.0147 0.0170 0.0010 0.0004 0.0000 -0.0041 -0.0030 -0.0007 -0.0001 -0.8082 -0.0096 -0.0037 0.0080 0.2629 0.0054 -0.0019 -0.0020 0.2511 -0.0231 -0.0050 -0.0016 -0.3137 -0.0533 -0.0027 -0.0020 -0.1445 -0.0178 -0.0163 0.0038 0.0089 -0.0032 0.0006 -0.0003 0.0016 0.0009 -0.0159 0.0044 -0.0006 0.0041 -0.0044 -0.0001 -0.0014 -0.0045 0.0009 0.0150 0.0031 0.0024 0.0120 0.0086 0.0008 0.0070 0.0005 -0.0022 -0.0011 0.0004 -0.0020 0.0036 -0.0019 0.0034 0.0008 -0.0072 0.0001 -0.0011 -0.0022 0.0019 -0.0021 0.0106 -0.0010 73. (1.78420) 3C ( 1) C 8- C 9-Mo 21 ( 41.47%) 0.6439* C 8 s( 6.61%)p14.05( 92.94%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2558 -0.0267 -0.0008 -0.0004 -0.0003 0.0000 0.3568 -0.0100 -0.0056 -0.0023 0.8888 0.0260 -0.0055 0.0017 -0.1022 0.0294 0.0006 0.0023 0.0011 -0.0089 -0.0003 0.0167 0.0011 -0.0010 0.0324 -0.0039 -0.0008 -0.0381 -0.0032 -0.0007 -0.0212 0.0043 -0.0008 -0.0178 0.0006 0.0156 0.0011 0.0033 -0.0003 -0.0133 0.0003 0.0081 -0.0009 0.0108 0.0026 -0.0013 0.0014 0.0030 -0.0028 -0.0013 0.0083 0.0060 0.0026 0.0042 -0.0042 -0.0007 ( 39.57%) 0.6290* C 9 s( 5.49%)p17.14( 94.07%)d 0.06( 0.34%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2319 -0.0331 -0.0014 0.0007 -0.0002 0.0000 0.5347 0.0329 -0.0029 0.0032 0.7968 0.0148 -0.0062 -0.0014 -0.1355 0.0117 -0.0007 0.0003 0.0436 -0.0012 0.0003 0.0041 -0.0043 -0.0008 0.0177 -0.0031 -0.0012 0.0212 0.0108 -0.0001 -0.0226 0.0072 -0.0010 -0.0019 0.0010 -0.0065 0.0005 0.0104 0.0007 -0.0049 -0.0010 0.0188 -0.0003 0.0166 0.0026 0.0102 -0.0009 -0.0014 0.0062 0.0038 -0.0053 -0.0035 -0.0073 -0.0014 0.0002 -0.0037 ( 18.97%) 0.4355*Mo 21 s( 24.94%)p 0.01( 0.19%)d 3.00( 74.71%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 0.4990 0.0095 -0.0146 0.0069 0.0016 0.0001 0.0000 -0.0075 -0.0114 0.0042 -0.0032 0.0000 -0.0176 -0.0099 0.0006 -0.0004 0.0000 -0.0295 -0.0170 0.0074 -0.0057 0.5048 0.0101 -0.0048 -0.0037 -0.0890 -0.0103 -0.0290 -0.0056 0.5436 -0.0238 -0.0045 -0.0024 -0.3229 -0.0486 -0.0054 -0.0011 -0.2808 -0.0388 -0.0140 0.0024 0.0008 0.0150 -0.0027 0.0079 0.0020 0.0004 0.0034 0.0092 -0.0006 -0.0068 0.0061 0.0012 0.0009 -0.0091 0.0007 0.0200 -0.0007 0.0027 -0.0183 -0.0040 -0.0002 0.0075 0.0006 -0.0041 0.0000 -0.0023 -0.0024 0.0077 -0.0012 -0.0060 -0.0028 -0.0017 -0.0029 0.0007 -0.0013 0.0022 -0.0013 -0.0094 -0.0006 74. (1.03795) 3Cn( 1) C 2- C 7- C 10 ( 0.01%) 0.0080* C 2 s( 7.14%)p12.95( 92.42%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2655 -0.0297 -0.0003 0.0004 -0.0003 0.0000 0.3594 -0.0047 -0.0010 -0.0008 0.8239 0.0142 -0.0053 -0.0002 -0.3388 -0.0340 0.0014 -0.0033 -0.0029 -0.0044 0.0004 -0.0193 0.0023 -0.0004 -0.0501 0.0031 -0.0005 -0.0160 0.0035 -0.0009 0.0150 0.0026 -0.0006 -0.0008 -0.0004 0.0155 0.0002 0.0211 -0.0008 -0.0005 -0.0016 0.0113 0.0018 0.0082 0.0018 0.0032 0.0010 -0.0058 -0.0026 0.0068 0.0042 0.0022 -0.0047 0.0002 -0.0033 -0.0035 ( 56.47%) 0.7515* C 7 s( 8.72%)p10.39( 90.59%)d 0.07( 0.59%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2927 -0.0389 -0.0008 0.0009 -0.0004 0.0000 0.2321 -0.0183 0.0042 -0.0025 0.8976 0.0304 0.0020 0.0015 -0.2121 0.0004 0.0090 0.0033 -0.0281 -0.0062 -0.0008 0.0013 0.0135 -0.0016 -0.0174 0.0187 0.0011 -0.0635 -0.0008 -0.0027 -0.0126 -0.0051 -0.0009 0.0001 -0.0017 -0.0115 0.0011 0.0001 0.0019 -0.0033 -0.0033 0.0024 -0.0011 0.0268 0.0018 -0.0061 0.0015 0.0010 0.0037 -0.0012 -0.0024 -0.0074 0.0039 -0.0005 0.0054 0.0000 ( 43.52%) 0.6597* C 10 s( 6.19%)p15.07( 93.32%)d 0.06( 0.39%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 -0.2461 0.0369 -0.0016 -0.0006 0.0000 -0.0001 -0.5396 -0.0290 -0.0001 -0.0040 -0.7537 -0.0045 0.0021 0.0019 0.2699 0.0099 -0.0049 -0.0015 -0.0385 -0.0025 -0.0012 0.0227 -0.0039 -0.0005 0.0212 -0.0158 0.0006 -0.0322 -0.0093 -0.0010 0.0050 0.0002 0.0020 0.0100 0.0009 -0.0037 0.0006 -0.0012 -0.0001 0.0091 -0.0011 0.0085 -0.0026 -0.0241 -0.0027 -0.0077 0.0004 -0.0058 0.0031 0.0024 0.0006 0.0005 -0.0087 0.0015 -0.0007 -0.0022 ---------------- non-Lewis ---------------------------------------------------- 75. (0.01883) BD*( 1) C 1- C 3 ( 49.97%) 0.7069* C 1 s( 32.08%)p 2.11( 67.71%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5664 -0.0006 0.0012 -0.0002 0.0005 0.0000 -0.0375 -0.0272 -0.0012 -0.0003 0.3755 -0.0278 -0.0084 0.0014 0.7300 -0.0099 0.0049 0.0029 0.0039 -0.0012 -0.0010 -0.0152 0.0000 0.0011 -0.0032 0.0115 0.0004 0.0066 0.0000 -0.0015 0.0317 0.0111 0.0001 0.0162 0.0015 -0.0031 -0.0008 0.0109 0.0012 -0.0036 -0.0002 0.0008 -0.0008 -0.0068 0.0007 -0.0003 0.0006 0.0075 0.0008 0.0061 -0.0051 -0.0022 0.0015 -0.0030 0.0017 0.0033 ( 50.03%) -0.7073* C 3 s( 32.03%)p 2.12( 67.76%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5659 -0.0016 0.0014 -0.0001 0.0004 0.0000 0.0612 -0.0296 -0.0015 0.0000 0.0386 -0.0214 -0.0101 0.0000 -0.8189 0.0160 0.0004 -0.0032 0.0072 -0.0012 -0.0014 0.0064 -0.0025 -0.0008 0.0259 -0.0013 -0.0010 -0.0012 0.0028 -0.0011 0.0234 0.0144 0.0005 -0.0175 -0.0022 0.0052 -0.0006 -0.0084 -0.0008 0.0011 0.0000 -0.0037 0.0006 -0.0053 0.0003 0.0008 0.0004 0.0097 -0.0033 0.0023 -0.0044 -0.0038 0.0002 0.0013 0.0004 0.0025 76. (0.02188) BD*( 1) C 1- C 6 ( 50.31%) 0.7093* C 1 s( 31.00%)p 2.22( 68.77%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5568 0.0027 0.0010 -0.0001 0.0003 0.0000 -0.7159 0.0025 -0.0006 -0.0023 -0.1825 -0.0013 -0.0093 -0.0001 -0.3744 0.0401 0.0064 -0.0010 0.0303 0.0047 -0.0006 -0.0052 0.0095 0.0018 0.0026 0.0058 -0.0001 0.0144 0.0091 -0.0007 -0.0138 -0.0036 -0.0004 0.0042 0.0009 0.0017 0.0013 0.0070 0.0000 -0.0067 -0.0011 -0.0106 -0.0008 -0.0035 -0.0008 -0.0150 -0.0009 -0.0010 -0.0100 -0.0018 0.0021 -0.0024 0.0019 0.0043 -0.0016 0.0036 ( 49.69%) -0.7049* C 6 s( 30.37%)p 2.29( 69.41%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5510 0.0039 0.0010 0.0002 -0.0001 0.0000 0.6513 -0.0204 0.0037 0.0023 0.5100 -0.0101 -0.0053 0.0024 0.0903 0.0317 0.0060 0.0003 0.0148 0.0105 0.0001 0.0241 0.0012 -0.0003 0.0146 0.0027 -0.0008 0.0211 0.0023 -0.0001 0.0049 -0.0081 -0.0016 -0.0071 -0.0016 -0.0058 -0.0004 0.0034 -0.0006 0.0074 -0.0001 0.0030 0.0013 0.0002 -0.0002 0.0161 0.0013 0.0056 -0.0062 -0.0006 -0.0005 -0.0059 0.0013 0.0045 -0.0025 0.0033 77. (0.01504) BD*( 1) C 1- H 11 ( 36.04%) 0.6003* C 1 s( 31.67%)p 2.15( 68.23%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5627 -0.0038 0.0011 -0.0003 0.0006 0.0000 -0.6505 -0.0137 -0.0061 0.0036 -0.1572 0.0012 0.0015 0.0006 0.4838 0.0064 0.0037 -0.0024 0.0016 -0.0041 0.0012 0.0047 0.0121 0.0001 -0.0060 0.0020 0.0011 -0.0100 -0.0084 0.0011 0.0000 -0.0003 0.0009 -0.0060 -0.0011 -0.0084 -0.0006 -0.0017 -0.0003 0.0152 0.0017 0.0095 0.0002 -0.0059 -0.0008 -0.0096 0.0001 0.0053 -0.0045 -0.0010 -0.0039 -0.0045 0.0046 0.0018 -0.0016 -0.0008 ( 63.96%) -0.7998* H 11 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0028 0.0001 -0.0001 -0.0237 0.0060 0.0000 -0.0073 -0.0018 -0.0002 0.0167 -0.0032 -0.0002 -0.0033 -0.0008 0.0104 0.0023 0.0033 0.0004 -0.0062 -0.0016 -0.0002 -0.0002 0.0032 0.0026 0.0002 -0.0064 -0.0020 0.0037 0.0022 78. (0.02437) BD*( 1) C 2- C 7 ( 49.73%) 0.7052* C 2 s( 30.33%)p 2.29( 69.44%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5507 0.0004 0.0013 0.0002 -0.0002 0.0000 0.4080 -0.0275 0.0013 0.0006 -0.5506 0.0176 0.0078 -0.0024 -0.4726 -0.0155 -0.0063 -0.0012 -0.0066 -0.0062 -0.0001 -0.0172 -0.0061 -0.0011 0.0145 0.0094 0.0001 0.0113 -0.0017 -0.0007 0.0287 -0.0018 -0.0016 0.0016 0.0006 0.0093 0.0013 -0.0099 -0.0014 -0.0061 0.0009 0.0093 0.0013 -0.0081 -0.0002 -0.0068 -0.0005 -0.0058 -0.0001 -0.0017 0.0046 -0.0074 0.0052 0.0024 0.0006 0.0008 ( 50.27%) -0.7090* C 7 s( 29.63%)p 2.37( 70.14%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5443 0.0040 0.0019 0.0003 -0.0002 0.0000 -0.4368 -0.0117 -0.0012 -0.0020 0.1021 0.0109 0.0100 0.0001 0.7060 -0.0355 -0.0036 0.0026 -0.0248 -0.0022 0.0009 -0.0136 -0.0122 -0.0009 0.0233 0.0059 0.0000 0.0083 0.0038 -0.0007 -0.0057 0.0081 0.0010 0.0013 -0.0005 -0.0104 -0.0012 0.0043 0.0009 -0.0006 0.0017 -0.0169 -0.0011 -0.0019 -0.0001 0.0044 -0.0001 -0.0055 -0.0069 0.0025 0.0044 -0.0048 0.0035 0.0003 -0.0006 -0.0005 79. (0.02202) BD*( 1) C 2- C 10 ( 50.67%) 0.7118* C 2 s( 30.55%)p 2.27( 69.21%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 -0.5526 -0.0070 -0.0015 -0.0002 -0.0001 0.0000 0.8063 -0.0301 -0.0018 0.0027 -0.1025 0.0109 -0.0063 0.0001 0.1722 0.0273 0.0071 0.0010 0.0216 0.0033 -0.0003 -0.0282 -0.0047 0.0005 0.0086 -0.0007 0.0004 -0.0127 -0.0101 -0.0003 -0.0096 0.0086 0.0016 -0.0081 -0.0017 0.0007 -0.0003 0.0051 -0.0004 0.0054 0.0016 -0.0100 -0.0001 0.0103 0.0009 -0.0126 -0.0006 -0.0030 0.0073 -0.0044 0.0037 0.0015 -0.0033 0.0055 -0.0016 0.0031 ( 49.33%) -0.7024* C 10 s( 31.84%)p 2.13( 67.92%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5643 -0.0065 -0.0011 -0.0001 0.0001 0.0000 -0.5490 0.0013 -0.0065 -0.0021 0.4158 0.0004 -0.0057 0.0019 -0.4509 0.0384 0.0042 -0.0015 0.0206 0.0080 -0.0011 -0.0065 -0.0111 -0.0007 -0.0059 0.0052 0.0013 -0.0298 -0.0017 0.0007 0.0123 0.0016 0.0000 0.0049 0.0010 0.0032 0.0007 0.0053 -0.0009 -0.0128 -0.0008 0.0091 0.0016 -0.0039 0.0002 0.0128 0.0010 0.0043 0.0068 -0.0050 0.0005 0.0046 -0.0016 0.0046 -0.0007 0.0033 80. (0.01567) BD*( 1) C 2- H 12 ( 36.39%) 0.6032* C 2 s( 31.77%)p 2.14( 68.12%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5636 -0.0036 0.0019 0.0003 -0.0001 0.0001 -0.2229 -0.0039 -0.0040 0.0012 -0.0483 -0.0086 -0.0028 0.0007 -0.7931 -0.0111 -0.0055 0.0040 -0.0006 0.0004 -0.0014 -0.0056 -0.0065 0.0003 -0.0113 -0.0014 0.0007 -0.0032 -0.0014 0.0012 -0.0043 -0.0132 0.0007 -0.0195 -0.0013 -0.0126 -0.0016 -0.0020 -0.0005 -0.0045 -0.0002 0.0015 -0.0006 0.0010 0.0002 0.0005 -0.0001 -0.0055 -0.0075 -0.0002 -0.0001 -0.0034 0.0006 -0.0022 0.0008 0.0013 ( 63.61%) -0.7976* H 12 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0025 -0.0004 -0.0001 -0.0068 0.0030 0.0000 -0.0033 0.0004 -0.0001 -0.0292 0.0042 -0.0007 -0.0010 0.0001 -0.0057 -0.0012 -0.0010 -0.0004 0.0002 -0.0003 -0.0115 -0.0025 0.0062 0.0055 0.0024 0.0015 0.0007 0.0002 0.0001 81. (0.02142) BD*( 1) C 3- C 4 ( 50.40%) 0.7099* C 3 s( 31.24%)p 2.19( 68.53%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5590 0.0033 0.0009 0.0000 0.0003 0.0000 -0.7580 0.0072 0.0004 -0.0024 -0.0436 -0.0169 -0.0111 0.0001 0.3272 -0.0370 -0.0026 0.0005 0.0312 0.0005 -0.0013 -0.0040 -0.0088 -0.0013 -0.0008 -0.0030 -0.0007 0.0156 0.0116 -0.0004 -0.0118 -0.0019 -0.0006 -0.0112 -0.0007 0.0004 0.0012 0.0054 0.0002 0.0085 0.0010 0.0042 0.0010 -0.0085 -0.0014 -0.0127 -0.0005 0.0002 0.0097 0.0028 -0.0006 0.0031 -0.0045 -0.0034 0.0011 0.0025 ( 49.60%) -0.7043* C 4 s( 30.66%)p 2.25( 69.12%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 0.5537 0.0054 0.0007 0.0003 -0.0002 0.0000 0.6644 -0.0180 0.0045 0.0026 0.4518 -0.0227 -0.0068 0.0020 -0.2096 -0.0271 -0.0033 -0.0010 0.0059 0.0102 0.0001 -0.0266 -0.0037 0.0005 0.0011 -0.0053 -0.0004 0.0269 0.0045 -0.0003 0.0046 -0.0058 -0.0016 0.0029 0.0014 -0.0069 -0.0001 -0.0003 0.0007 -0.0145 -0.0005 -0.0050 -0.0012 0.0036 0.0004 0.0116 0.0013 0.0039 0.0074 0.0057 -0.0020 -0.0020 -0.0002 -0.0043 0.0001 0.0038 82. (0.01545) BD*( 1) C 3- H 13 ( 36.26%) 0.6022* C 3 s( 31.67%)p 2.15( 68.22%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5628 -0.0045 0.0014 -0.0002 0.0005 0.0000 -0.5881 -0.0130 -0.0056 0.0033 -0.3656 -0.0018 -0.0010 0.0016 -0.4499 -0.0076 -0.0051 0.0024 -0.0020 -0.0086 0.0011 -0.0056 -0.0098 -0.0006 -0.0008 -0.0062 0.0005 -0.0108 -0.0044 0.0012 -0.0035 0.0005 0.0010 0.0079 0.0012 -0.0035 -0.0008 -0.0046 -0.0002 -0.0052 -0.0012 -0.0158 -0.0010 0.0028 -0.0002 -0.0130 -0.0006 0.0046 0.0050 0.0028 -0.0047 -0.0032 0.0006 -0.0050 0.0009 -0.0013 ( 63.74%) -0.7984* H 13 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0030 0.0004 -0.0002 -0.0224 0.0053 0.0001 -0.0138 0.0007 0.0000 -0.0150 0.0046 0.0003 -0.0065 -0.0016 -0.0089 -0.0018 -0.0058 -0.0012 -0.0030 -0.0009 0.0013 0.0000 -0.0033 0.0020 0.0013 0.0037 0.0054 0.0007 0.0044 83. (0.02418) BD*( 1) C 4- C 5 ( 50.34%) 0.7095* C 4 s( 29.60%)p 2.37( 70.17%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5440 -0.0040 -0.0015 -0.0001 0.0000 0.0000 0.5638 -0.0393 -0.0059 0.0018 0.1180 -0.0021 0.0082 -0.0003 0.6068 0.0038 0.0029 0.0017 -0.0135 -0.0035 0.0003 -0.0077 -0.0130 -0.0012 -0.0232 -0.0013 0.0002 0.0012 -0.0039 -0.0001 -0.0257 -0.0042 0.0012 0.0019 0.0007 0.0091 0.0022 0.0089 0.0004 0.0037 0.0004 0.0174 0.0007 0.0033 0.0003 0.0008 0.0006 0.0073 -0.0023 -0.0019 -0.0067 -0.0058 0.0013 -0.0010 0.0010 -0.0001 ( 49.66%) -0.7047* C 5 s( 30.36%)p 2.29( 69.39%)d 0.01( 0.19%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5510 -0.0054 -0.0016 -0.0002 0.0000 0.0000 -0.2364 -0.0203 -0.0068 -0.0008 -0.4808 0.0065 0.0066 -0.0027 -0.6367 0.0296 -0.0004 -0.0016 -0.0194 -0.0041 0.0008 -0.0260 -0.0059 -0.0003 -0.0068 -0.0094 -0.0005 -0.0236 0.0038 0.0015 -0.0081 -0.0069 -0.0005 0.0002 0.0004 -0.0121 -0.0010 -0.0133 -0.0008 -0.0036 -0.0004 -0.0056 -0.0017 0.0023 0.0011 -0.0090 0.0002 0.0040 -0.0063 -0.0024 -0.0008 -0.0075 0.0035 0.0018 -0.0017 -0.0007 84. (0.01479) BD*( 1) C 4- H 14 ( 36.94%) 0.6078* C 4 s( 31.67%)p 2.15( 68.23%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5627 -0.0037 0.0010 0.0004 0.0000 0.0000 0.2996 0.0042 0.0017 -0.0014 -0.1044 0.0061 0.0011 0.0004 -0.7625 -0.0097 -0.0099 0.0043 -0.0061 0.0010 0.0013 0.0027 0.0082 0.0000 0.0043 -0.0034 0.0008 -0.0024 -0.0017 0.0012 -0.0078 -0.0122 0.0007 -0.0124 -0.0016 0.0175 0.0015 -0.0088 0.0000 -0.0045 -0.0002 0.0034 0.0003 0.0037 0.0000 -0.0013 -0.0002 -0.0036 0.0081 -0.0001 -0.0017 0.0030 -0.0010 -0.0023 0.0007 -0.0012 ( 63.06%) -0.7941* H 14 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0016 0.0012 -0.0001 0.0121 -0.0002 0.0005 -0.0025 0.0007 0.0001 -0.0272 0.0053 -0.0010 0.0015 0.0000 0.0081 0.0016 -0.0025 -0.0007 -0.0005 -0.0004 -0.0105 -0.0023 0.0056 -0.0060 0.0018 0.0019 -0.0006 -0.0004 0.0001 85. (0.02481) BD*( 1) C 5- C 6 ( 49.62%) 0.7044* C 5 s( 30.30%)p 2.29( 69.45%)d 0.01( 0.20%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5504 0.0067 0.0015 0.0002 0.0001 0.0000 0.3156 0.0164 0.0065 0.0011 0.2000 0.0067 -0.0061 0.0017 -0.7440 0.0318 0.0031 -0.0025 0.0078 0.0018 -0.0008 -0.0299 -0.0093 -0.0002 0.0097 -0.0037 -0.0006 0.0265 -0.0002 -0.0011 0.0011 0.0101 0.0008 -0.0051 0.0002 0.0126 0.0018 0.0027 0.0003 -0.0156 -0.0010 0.0018 -0.0013 0.0002 -0.0002 0.0042 -0.0003 -0.0030 -0.0091 -0.0034 0.0039 0.0023 -0.0017 0.0032 0.0004 0.0008 ( 50.38%) -0.7098* C 6 s( 29.47%)p 2.39( 70.30%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5428 0.0052 0.0013 0.0001 0.0001 0.0000 -0.6351 0.0387 0.0046 -0.0020 0.1316 0.0045 -0.0062 0.0009 0.5297 0.0074 0.0065 0.0012 0.0100 -0.0027 -0.0006 -0.0188 -0.0133 -0.0007 0.0013 0.0027 -0.0007 0.0054 0.0055 0.0002 0.0315 0.0005 -0.0013 0.0020 -0.0001 -0.0168 -0.0021 0.0009 0.0004 0.0080 0.0009 0.0054 -0.0011 -0.0105 -0.0003 0.0012 -0.0002 -0.0053 -0.0020 -0.0020 0.0081 0.0031 -0.0042 0.0033 -0.0013 -0.0010 86. (0.01523) BD*( 1) C 5- H 15 ( 37.80%) 0.6148* C 5 s( 30.70%)p 2.25( 69.19%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5540 -0.0038 0.0018 0.0003 0.0002 0.0000 0.7922 0.0067 0.0070 -0.0040 0.2530 0.0125 0.0040 -0.0017 -0.0058 -0.0026 -0.0004 0.0001 -0.0146 -0.0080 0.0009 0.0036 0.0000 -0.0002 0.0000 -0.0001 0.0007 0.0042 -0.0124 0.0010 -0.0007 0.0083 0.0009 0.0008 0.0001 -0.0115 -0.0013 -0.0046 -0.0006 0.0000 0.0000 0.0013 -0.0001 0.0139 0.0006 0.0139 0.0013 -0.0062 0.0003 -0.0019 0.0049 0.0035 -0.0006 0.0008 -0.0011 -0.0045 ( 62.20%) -0.7887* H 15 s( 99.87%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0018 0.0009 -0.0001 0.0284 -0.0050 0.0012 0.0129 0.0017 0.0007 -0.0014 -0.0008 -0.0002 -0.0064 -0.0018 0.0000 0.0001 0.0006 -0.0002 -0.0088 -0.0026 0.0073 0.0014 -0.0003 0.0046 0.0019 0.0003 0.0000 -0.0035 -0.0062 87. (0.01493) BD*( 1) C 6- H 16 ( 36.78%) 0.6065* C 6 s( 31.70%)p 2.15( 68.19%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5631 -0.0041 0.0012 0.0003 0.0000 0.0000 0.2058 0.0029 0.0005 -0.0009 0.2092 0.0098 0.0047 -0.0013 0.7717 0.0075 0.0082 -0.0041 -0.0050 -0.0018 0.0012 0.0008 -0.0056 -0.0005 -0.0093 -0.0064 0.0006 0.0002 -0.0003 0.0013 -0.0029 -0.0126 0.0007 0.0165 0.0012 0.0117 0.0010 0.0105 0.0015 0.0020 -0.0005 0.0078 0.0004 0.0017 -0.0001 0.0003 -0.0002 -0.0031 -0.0070 -0.0052 0.0015 -0.0020 0.0016 0.0017 -0.0006 -0.0009 ( 63.22%) -0.7951* H 16 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0018 0.0010 -0.0001 0.0087 0.0005 0.0003 0.0080 -0.0019 0.0005 0.0277 -0.0049 0.0010 -0.0011 -0.0005 -0.0058 -0.0011 -0.0054 -0.0012 0.0008 -0.0002 -0.0110 -0.0024 -0.0053 -0.0038 -0.0053 0.0003 -0.0024 0.0003 -0.0003 88. (0.02298) BD*( 1) C 7- C 8 ( 50.11%) 0.7079* C 7 s( 29.73%)p 2.36( 70.04%)d 0.01( 0.17%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5453 -0.0035 -0.0017 -0.0003 0.0002 0.0000 0.4523 0.0119 0.0013 0.0019 0.2193 -0.0266 -0.0100 0.0011 0.6679 -0.0266 0.0015 0.0023 0.0168 -0.0035 -0.0013 -0.0236 -0.0118 -0.0006 0.0140 -0.0035 -0.0003 -0.0179 -0.0047 0.0008 -0.0094 -0.0084 -0.0008 0.0026 -0.0001 0.0181 0.0015 0.0010 0.0002 0.0038 0.0016 -0.0020 0.0001 0.0076 0.0005 -0.0036 0.0011 0.0019 -0.0082 0.0021 -0.0062 -0.0016 0.0007 -0.0042 0.0018 0.0015 ( 49.89%) -0.7064* C 8 s( 30.30%)p 2.29( 69.48%)d 0.01( 0.16%) f 0.00( 0.04%)g 0.00( 0.01%) 0.0000 -0.5504 0.0005 -0.0010 0.0001 0.0003 0.0000 -0.4338 0.0272 -0.0019 -0.0007 0.2575 -0.0236 -0.0093 0.0015 -0.6625 -0.0074 -0.0022 -0.0020 -0.0024 0.0030 -0.0004 -0.0195 -0.0081 -0.0010 -0.0164 0.0072 0.0015 -0.0102 -0.0033 0.0003 -0.0269 -0.0051 0.0010 -0.0035 -0.0011 -0.0144 -0.0018 -0.0017 0.0011 -0.0133 -0.0007 0.0032 0.0000 0.0035 -0.0003 0.0011 0.0005 0.0057 -0.0067 0.0023 -0.0055 0.0051 -0.0018 -0.0024 -0.0006 0.0002 89. (0.01734) BD*( 1) C 7- H 17 ( 35.67%) 0.5973* C 7 s( 31.74%)p 2.15( 68.15%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5634 -0.0027 0.0010 0.0005 -0.0002 0.0000 -0.7405 -0.0170 -0.0090 0.0034 0.3565 -0.0018 0.0008 -0.0015 -0.0754 0.0007 -0.0002 0.0003 -0.0046 0.0111 -0.0012 0.0013 -0.0025 0.0003 -0.0022 0.0001 0.0009 -0.0110 -0.0100 0.0010 0.0014 0.0065 0.0014 0.0017 0.0002 0.0113 0.0015 -0.0039 -0.0004 -0.0040 -0.0002 0.0038 0.0002 -0.0006 -0.0011 0.0194 0.0013 -0.0058 0.0018 -0.0029 0.0042 -0.0039 0.0004 0.0016 -0.0002 0.0049 ( 64.33%) -0.8020* H 17 s( 99.88%)p 0.00( 0.09%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0042 0.0007 -0.0001 -0.0272 0.0067 0.0000 0.0098 -0.0011 -0.0005 -0.0016 0.0005 0.0001 0.0086 0.0025 -0.0016 -0.0005 0.0015 0.0001 -0.0066 -0.0020 0.0073 0.0014 -0.0009 -0.0048 0.0018 0.0011 -0.0007 0.0033 -0.0066 90. (0.02135) BD*( 1) C 8- C 9 ( 50.80%) 0.7127* C 8 s( 30.88%)p 2.23( 68.88%)d 0.01( 0.18%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 -0.5557 -0.0068 -0.0015 0.0003 0.0000 0.0000 0.7993 -0.0318 -0.0013 0.0028 -0.1756 -0.0038 -0.0091 -0.0005 -0.1306 -0.0288 -0.0033 -0.0009 0.0307 0.0051 -0.0005 0.0157 0.0032 -0.0002 -0.0174 0.0024 0.0008 -0.0067 -0.0108 -0.0003 0.0020 0.0070 0.0014 0.0007 0.0016 -0.0083 -0.0002 0.0066 0.0007 -0.0029 -0.0012 0.0121 0.0004 0.0035 0.0007 -0.0147 -0.0014 -0.0064 -0.0070 0.0002 0.0040 -0.0037 0.0019 -0.0023 0.0011 0.0046 ( 49.20%) -0.7014* C 9 s( 32.39%)p 2.08( 67.37%)d 0.01( 0.17%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5691 -0.0062 -0.0011 -0.0001 0.0001 0.0000 -0.5465 0.0005 -0.0065 -0.0022 0.5702 -0.0174 -0.0067 0.0023 0.2198 -0.0345 -0.0007 0.0006 0.0210 0.0121 -0.0007 -0.0025 0.0065 0.0012 -0.0015 -0.0028 -0.0003 -0.0311 0.0003 0.0013 0.0102 0.0045 0.0008 -0.0108 0.0000 0.0082 0.0015 0.0006 -0.0008 0.0006 0.0009 -0.0061 -0.0004 0.0009 0.0007 0.0166 0.0015 -0.0040 -0.0078 0.0040 -0.0018 -0.0035 -0.0012 -0.0050 0.0024 0.0029 91. (0.01490) BD*( 1) C 8- H 18 ( 36.28%) 0.6023* C 8 s( 31.97%)p 2.13( 67.93%)d 0.00( 0.04%) f 0.00( 0.06%)g 0.00( 0.01%) 0.0000 -0.5654 -0.0039 0.0017 -0.0003 -0.0001 0.0001 -0.2020 -0.0022 -0.0037 0.0012 0.3266 -0.0008 0.0001 -0.0012 0.7291 0.0138 0.0059 -0.0039 0.0030 0.0028 -0.0014 0.0038 0.0053 0.0004 0.0004 -0.0088 0.0006 -0.0058 0.0007 0.0013 -0.0105 -0.0097 0.0007 0.0086 0.0010 -0.0074 -0.0017 0.0185 0.0011 -0.0043 0.0000 -0.0080 -0.0006 0.0042 0.0002 0.0014 0.0000 -0.0010 0.0068 -0.0056 0.0019 0.0037 -0.0018 0.0025 -0.0007 0.0009 ( 63.72%) -0.7983* H 18 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 0.0023 -0.0005 0.0000 -0.0053 0.0039 0.0001 0.0120 -0.0005 0.0004 0.0279 -0.0041 0.0007 0.0020 0.0006 0.0050 0.0009 -0.0077 -0.0016 0.0022 0.0001 -0.0090 -0.0019 -0.0043 0.0042 -0.0057 0.0004 0.0031 -0.0006 -0.0005 92. (0.02321) BD*( 1) C 9- C 10 ( 50.03%) 0.7073* C 9 s( 30.98%)p 2.22( 68.79%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5566 0.0024 0.0011 0.0003 -0.0002 0.0000 -0.1652 0.0342 0.0071 -0.0002 0.0855 -0.0093 0.0058 -0.0005 0.8073 -0.0145 0.0009 0.0024 -0.0029 -0.0021 0.0010 0.0205 -0.0051 -0.0017 0.0178 0.0023 0.0000 0.0051 -0.0023 -0.0006 0.0258 0.0124 0.0003 0.0160 0.0021 -0.0003 0.0001 0.0133 0.0002 0.0017 -0.0006 -0.0027 0.0002 -0.0048 0.0000 -0.0019 0.0005 0.0074 -0.0049 0.0059 -0.0031 0.0031 0.0009 -0.0029 -0.0007 -0.0021 ( 49.97%) -0.7069* C 10 s( 30.87%)p 2.23( 68.91%)d 0.01( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5556 0.0032 0.0011 0.0003 -0.0001 0.0000 -0.1938 0.0349 0.0070 -0.0003 -0.3098 -0.0015 0.0047 -0.0016 -0.7443 0.0161 -0.0036 -0.0020 -0.0125 0.0011 0.0016 -0.0152 0.0061 0.0010 0.0118 0.0069 -0.0001 0.0059 -0.0032 -0.0005 0.0298 0.0101 0.0003 -0.0164 -0.0011 -0.0022 0.0000 -0.0118 -0.0015 -0.0004 0.0008 -0.0017 -0.0001 -0.0057 0.0001 -0.0036 0.0009 0.0074 0.0016 0.0051 -0.0036 0.0047 -0.0032 -0.0001 -0.0019 -0.0033 93. (0.01498) BD*( 1) C 9- H 19 ( 37.54%) 0.6127* C 9 s( 30.95%)p 2.23( 68.94%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5563 -0.0025 0.0016 0.0003 -0.0002 0.0000 0.6193 0.0062 0.0043 -0.0030 -0.1650 -0.0096 -0.0031 0.0011 0.5275 0.0077 0.0055 -0.0028 0.0119 0.0036 -0.0013 -0.0034 -0.0134 0.0002 0.0076 0.0021 0.0010 0.0013 -0.0073 0.0008 -0.0049 -0.0021 0.0010 -0.0066 -0.0008 0.0104 0.0011 -0.0004 -0.0005 0.0151 0.0010 -0.0065 -0.0012 0.0081 0.0005 -0.0074 -0.0003 0.0059 0.0018 0.0000 -0.0045 0.0058 -0.0034 0.0021 -0.0004 0.0006 ( 62.46%) -0.7903* H 19 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0016 0.0010 0.0000 0.0221 -0.0032 0.0008 -0.0094 -0.0017 -0.0005 0.0194 -0.0035 0.0007 0.0026 0.0009 -0.0110 -0.0024 0.0033 0.0005 -0.0053 -0.0014 -0.0007 -0.0005 0.0021 -0.0043 0.0011 -0.0051 0.0037 -0.0018 0.0027 94. (0.01481) BD*( 1) C 10- H 20 ( 37.50%) 0.6124* C 10 s( 30.94%)p 2.23( 68.95%)d 0.00( 0.05%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5562 -0.0024 0.0015 0.0003 -0.0001 0.0000 0.6045 0.0058 0.0043 -0.0029 -0.3979 -0.0125 -0.0055 0.0022 -0.4068 -0.0020 -0.0036 0.0020 0.0114 0.0093 -0.0012 -0.0029 0.0103 0.0005 -0.0070 -0.0062 0.0006 0.0056 -0.0047 0.0009 0.0021 0.0012 0.0011 0.0078 0.0011 0.0025 0.0001 -0.0012 0.0000 -0.0071 -0.0004 0.0153 0.0017 0.0008 -0.0005 -0.0136 -0.0007 0.0032 -0.0060 0.0034 -0.0034 0.0022 -0.0019 -0.0049 0.0022 0.0009 ( 62.50%) -0.7905* H 20 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.02%) f 0.00( 0.01%) -0.9994 -0.0015 0.0011 0.0000 0.0214 -0.0034 0.0008 -0.0181 0.0001 -0.0009 -0.0131 0.0038 -0.0003 0.0073 0.0019 0.0087 0.0018 -0.0048 -0.0013 -0.0028 -0.0009 0.0024 0.0002 -0.0035 -0.0006 0.0007 0.0017 -0.0060 0.0015 0.0046 95. (0.39698) BD*( 1)Mo 21- S 22 ( 61.99%) 0.7873*Mo 21 s( 7.91%)p 0.01( 0.09%)d11.61( 91.86%) f 0.01( 0.10%)g 0.01( 0.04%) 0.0000 -0.2799 -0.0278 0.0041 0.0012 0.0011 0.0000 0.0000 -0.0142 -0.0204 -0.0018 0.0009 0.0000 0.0012 0.0053 -0.0008 -0.0005 0.0000 0.0019 0.0164 -0.0012 -0.0019 0.2684 0.0147 0.0028 0.0014 0.6490 0.0128 0.0118 0.0026 -0.2613 -0.0267 0.0006 -0.0019 -0.5920 -0.0626 0.0028 -0.0031 -0.0374 0.0056 -0.0044 0.0017 -0.0046 -0.0028 0.0013 -0.0167 -0.0029 0.0007 0.0097 -0.0011 0.0011 0.0176 0.0024 -0.0005 -0.0119 -0.0033 0.0001 -0.0019 -0.0012 -0.0010 0.0084 0.0018 -0.0001 0.0136 -0.0009 -0.0045 -0.0004 0.0066 -0.0001 -0.0088 0.0010 0.0032 -0.0003 0.0036 0.0003 -0.0050 0.0000 0.0042 -0.0005 0.0013 0.0003 ( 38.01%) -0.6165* S 22 s( 17.02%)p 4.84( 82.45%)d 0.03( 0.48%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.4124 0.0136 -0.0016 -0.0007 0.0001 0.0000 0.0000 0.0000 0.5726 0.0079 -0.0061 -0.0003 0.0000 0.0000 -0.1494 -0.0007 0.0015 -0.0001 0.0000 0.0000 -0.6886 0.0069 0.0023 0.0007 0.0000 0.0110 -0.0042 0.0001 0.0001 0.0560 -0.0105 -0.0001 0.0003 -0.0175 0.0031 -0.0001 -0.0001 -0.0140 0.0066 -0.0001 -0.0001 -0.0292 0.0072 0.0009 -0.0001 0.0052 -0.0010 0.0003 0.0013 -0.0012 -0.0004 -0.0146 0.0011 0.0085 -0.0003 0.0065 0.0000 -0.0078 0.0001 0.0022 -0.0008 0.0000 -0.0032 0.0016 0.0017 -0.0020 0.0000 0.0004 96. (0.37955) BD*( 1)Mo 21- S 25 ( 61.47%) 0.7840*Mo 21 s( 7.50%)p 0.01( 0.09%)d12.31( 92.26%) f 0.01( 0.11%)g 0.01( 0.04%) 0.0000 -0.2724 -0.0274 0.0040 0.0007 0.0012 -0.0001 0.0000 -0.0146 -0.0201 -0.0012 0.0013 0.0000 -0.0026 -0.0030 -0.0003 0.0000 0.0000 -0.0037 -0.0166 0.0003 0.0018 -0.1236 -0.0095 0.0004 -0.0011 -0.7033 -0.0123 -0.0121 -0.0017 -0.1695 -0.0184 0.0015 -0.0006 -0.6082 -0.0629 0.0024 -0.0027 -0.0962 0.0000 -0.0032 0.0010 0.0011 0.0028 -0.0016 -0.0209 -0.0035 0.0008 -0.0072 0.0004 -0.0004 -0.0216 -0.0022 0.0003 -0.0093 -0.0023 0.0002 -0.0029 -0.0017 -0.0010 -0.0059 -0.0009 0.0002 0.0124 -0.0007 0.0021 0.0005 0.0079 -0.0004 -0.0102 0.0008 0.0004 0.0000 -0.0052 -0.0002 -0.0034 0.0004 0.0034 -0.0006 -0.0023 -0.0001 ( 38.53%) -0.6207* S 25 s( 16.13%)p 5.16( 83.27%)d 0.03( 0.56%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.4014 0.0144 -0.0014 -0.0007 0.0001 0.0000 0.0000 0.0000 0.5981 0.0078 -0.0060 -0.0006 0.0000 0.0000 0.0005 0.0032 -0.0004 0.0003 0.0000 0.0000 0.6891 -0.0060 -0.0035 -0.0010 0.0000 -0.0011 0.0025 0.0000 -0.0001 -0.0622 0.0115 0.0000 -0.0002 -0.0013 -0.0028 -0.0004 -0.0001 -0.0186 0.0065 -0.0001 -0.0002 -0.0333 0.0080 0.0008 -0.0001 -0.0038 0.0010 0.0027 0.0011 -0.0029 0.0005 0.0151 -0.0011 0.0054 -0.0007 0.0083 -0.0003 0.0057 -0.0003 0.0023 0.0005 0.0000 -0.0036 -0.0009 -0.0024 -0.0010 -0.0004 -0.0002 97. (0.09977) BD*( 1) S 22- S 23 ( 52.36%) 0.7236* S 22 s( 9.91%)p 8.98( 88.99%)d 0.10( 0.99%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3121 -0.0418 0.0011 -0.0007 0.0000 0.0000 0.0000 0.0000 -0.7887 -0.0563 0.0008 -0.0004 0.0000 0.0000 0.1185 0.0134 0.0001 -0.0003 0.0000 0.0000 -0.5005 0.0006 0.0045 -0.0022 0.0000 0.0090 0.0053 -0.0004 0.0000 -0.0784 -0.0003 -0.0008 0.0001 0.0045 0.0077 -0.0005 0.0002 -0.0512 -0.0114 0.0003 0.0000 -0.0138 0.0247 -0.0003 0.0000 0.0076 0.0030 -0.0010 -0.0015 -0.0043 0.0013 -0.0199 -0.0033 0.0031 0.0011 -0.0192 -0.0010 0.0121 -0.0005 0.0016 0.0042 -0.0010 -0.0024 0.0002 -0.0060 0.0031 -0.0028 0.0016 ( 47.64%) -0.6902* S 23 s( 12.05%)p 7.17( 86.34%)d 0.12( 1.47%) f 0.01( 0.14%)g 0.00( 0.01%) 0.0000 0.0000 -0.3455 -0.0326 0.0047 -0.0002 -0.0002 0.0000 0.0000 0.0000 0.7955 -0.0237 -0.0066 -0.0025 0.0000 0.0000 -0.1715 -0.0165 0.0063 0.0009 0.0000 0.0000 0.4457 -0.0386 0.0031 -0.0017 0.0001 0.0456 -0.0052 -0.0016 0.0002 -0.0714 -0.0009 0.0027 -0.0001 0.0167 0.0040 -0.0009 -0.0001 -0.0793 0.0029 0.0012 -0.0001 0.0296 -0.0033 -0.0004 0.0001 -0.0151 0.0000 0.0040 -0.0007 0.0053 -0.0007 0.0263 -0.0017 -0.0033 -0.0006 0.0149 -0.0003 -0.0126 0.0006 0.0022 0.0045 -0.0002 -0.0038 0.0011 -0.0079 0.0027 -0.0032 0.0025 98. (0.08108) BD*( 1) S 23- S 24 ( 50.28%) 0.7091* S 23 s( 11.38%)p 7.66( 87.12%)d 0.12( 1.39%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3350 -0.0389 -0.0039 0.0000 0.0001 0.0000 0.0000 0.0000 0.0138 0.0260 -0.0070 0.0004 -0.0001 0.0000 -0.7484 0.0296 0.0004 -0.0016 0.0001 0.0000 -0.5548 0.0386 -0.0022 -0.0016 0.0001 0.0195 -0.0061 0.0002 0.0001 0.0170 -0.0020 0.0002 0.0001 -0.0983 -0.0042 0.0001 -0.0002 0.0583 0.0075 -0.0015 0.0002 -0.0018 -0.0035 -0.0008 0.0001 0.0158 -0.0009 -0.0034 0.0007 -0.0166 0.0000 0.0213 0.0007 0.0004 0.0007 -0.0045 0.0001 0.0064 0.0015 0.0037 -0.0004 0.0010 0.0076 0.0002 0.0010 0.0065 -0.0012 0.0003 ( 49.72%) -0.7051* S 24 s( 11.67%)p 7.44( 86.81%)d 0.12( 1.40%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3390 -0.0417 -0.0035 0.0000 0.0001 0.0000 0.0000 0.0000 -0.0487 -0.0281 -0.0065 0.0001 -0.0001 0.0000 0.7404 0.0260 -0.0014 0.0014 -0.0001 0.0000 0.5608 0.0385 0.0024 0.0014 0.0000 -0.0108 0.0085 -0.0002 -0.0001 -0.0085 0.0027 -0.0002 -0.0001 -0.1002 -0.0039 0.0000 -0.0002 0.0600 0.0065 -0.0012 0.0002 -0.0044 -0.0031 -0.0011 0.0001 -0.0157 0.0010 -0.0052 0.0009 0.0166 -0.0001 -0.0215 -0.0005 -0.0035 0.0007 -0.0030 0.0005 -0.0073 -0.0013 0.0038 0.0003 0.0009 0.0078 0.0013 -0.0026 0.0060 -0.0010 -0.0007 99. (0.08941) BD*( 1) S 24- S 25 ( 47.76%) 0.6911* S 24 s( 12.31%)p 6.99( 86.05%)d 0.12( 1.49%) f 0.01( 0.13%)g 0.00( 0.01%) 0.0000 0.0000 0.3492 0.0339 -0.0041 0.0002 0.0003 0.0000 0.0000 0.0000 -0.7621 -0.0231 0.0058 0.0021 0.0000 0.0000 -0.2512 0.0115 0.0062 0.0012 0.0000 0.0000 0.4628 0.0401 0.0042 -0.0016 0.0001 0.0582 -0.0043 -0.0024 0.0002 -0.0719 -0.0020 0.0029 -0.0002 -0.0251 -0.0042 0.0012 0.0000 0.0698 -0.0026 -0.0007 0.0001 -0.0282 0.0040 0.0004 -0.0001 -0.0148 -0.0002 -0.0056 0.0007 0.0040 -0.0006 0.0249 -0.0015 0.0096 0.0002 -0.0103 0.0001 -0.0158 0.0004 -0.0025 0.0043 0.0005 0.0039 0.0022 -0.0066 -0.0052 0.0019 0.0036 ( 52.24%) -0.7228* S 25 s( 10.00%)p 8.88( 88.86%)d 0.10( 1.03%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3138 0.0400 -0.0002 0.0006 0.0001 0.0000 0.0000 0.0000 0.7692 0.0566 0.0001 0.0009 0.0000 0.0000 0.2283 0.0128 -0.0007 0.0000 0.0000 0.0000 -0.4913 0.0006 0.0048 -0.0022 0.0000 0.0247 0.0075 -0.0006 0.0001 -0.0784 -0.0020 -0.0009 0.0000 -0.0201 -0.0029 0.0006 -0.0002 0.0453 0.0127 -0.0002 0.0000 0.0151 -0.0247 0.0005 0.0000 0.0073 0.0029 0.0023 0.0013 -0.0009 0.0009 -0.0178 -0.0027 -0.0096 -0.0015 0.0156 0.0004 0.0162 0.0000 -0.0017 0.0041 0.0010 0.0020 0.0009 -0.0050 -0.0045 0.0014 0.0028 100. (0.45110) 3Cn( 1) C 1- C 6-Mo 21 ( 53.54%) 0.7317* C 1 s( 4.97%)p19.01( 94.56%)d 0.07( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 -0.2221 0.0203 0.0022 0.0008 -0.0003 0.0000 -0.2458 0.0264 0.0041 0.0033 0.8917 0.0204 -0.0041 0.0009 -0.2972 -0.0205 0.0080 -0.0005 -0.0299 -0.0054 -0.0007 -0.0012 0.0075 -0.0005 0.0373 -0.0107 0.0001 0.0316 0.0071 0.0002 -0.0041 0.0013 0.0016 -0.0100 -0.0015 -0.0032 -0.0004 0.0077 -0.0011 0.0092 -0.0020 -0.0097 0.0005 -0.0238 -0.0016 0.0066 0.0016 -0.0071 -0.0024 0.0031 -0.0015 0.0030 0.0060 -0.0068 0.0015 0.0024 ( 46.45%) 0.6815* C 6 s( 8.21%)p11.12( 91.35%)d 0.04( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2852 -0.0280 -0.0012 0.0005 0.0001 0.0000 0.3539 0.0124 0.0009 0.0013 -0.8210 -0.0075 0.0080 0.0017 0.3354 0.0387 -0.0032 0.0022 -0.0143 -0.0052 -0.0002 0.0259 -0.0011 0.0006 -0.0450 0.0054 0.0002 0.0064 0.0090 -0.0005 0.0148 0.0008 -0.0013 0.0017 0.0001 0.0026 -0.0010 -0.0242 0.0007 0.0124 0.0019 -0.0033 0.0009 0.0109 0.0017 -0.0016 -0.0001 -0.0039 -0.0081 0.0022 -0.0037 0.0048 0.0005 -0.0029 0.0031 0.0037 ( 0.01%) 0.0120*Mo 21 s( 49.38%)p 0.00( 0.19%)d 1.02( 50.22%) f 0.00( 0.18%)g 0.00( 0.04%) 0.0000 -0.7020 -0.0246 0.0183 -0.0069 -0.0022 0.0001 0.0000 0.0006 -0.0012 -0.0033 0.0026 0.0000 0.0082 -0.0123 0.0002 -0.0010 0.0000 0.0334 0.0208 -0.0086 0.0067 -0.0423 0.0258 0.0068 -0.0005 0.0589 -0.0043 0.0272 0.0072 0.6653 0.0299 0.0058 -0.0029 0.0936 0.0544 0.0059 0.0020 -0.1943 0.0469 0.0122 0.0011 -0.0136 -0.0129 0.0023 -0.0054 0.0020 -0.0003 0.0126 -0.0142 0.0013 0.0013 -0.0070 -0.0017 -0.0157 -0.0033 -0.0018 -0.0229 0.0060 -0.0033 0.0132 0.0028 0.0001 0.0085 0.0004 0.0076 -0.0017 -0.0081 0.0012 -0.0018 0.0034 0.0023 0.0031 0.0051 0.0019 -0.0089 0.0008 -0.0020 0.0016 -0.0003 0.0035 101. (0.54131) 3Cn( 1) C 4- C 5-Mo 21 ( 55.05%) 0.7420* C 4 s( 7.85%)p11.69( 91.74%)d 0.04( 0.31%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2786 -0.0286 -0.0008 0.0009 -0.0001 0.0000 0.3821 0.0089 -0.0077 -0.0012 -0.8749 -0.0228 0.0040 -0.0014 0.0650 -0.0324 -0.0034 -0.0034 -0.0251 0.0082 0.0000 -0.0132 -0.0059 0.0015 0.0390 0.0042 -0.0001 -0.0152 -0.0019 -0.0016 -0.0203 0.0004 -0.0001 0.0211 0.0003 -0.0045 0.0004 -0.0147 -0.0016 0.0068 0.0005 0.0103 -0.0017 0.0078 0.0019 -0.0019 -0.0002 0.0029 0.0004 -0.0043 -0.0038 0.0077 -0.0067 -0.0002 0.0038 0.0016 ( 6.12%) 0.2473* C 5 s( 8.51%)p10.69( 91.00%)d 0.05( 0.39%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 -0.2890 0.0398 0.0011 -0.0008 0.0000 0.0000 -0.4616 -0.0362 0.0034 -0.0017 0.8116 0.0096 -0.0041 -0.0015 -0.1916 -0.0119 -0.0055 -0.0024 0.0519 -0.0035 0.0003 -0.0187 -0.0013 -0.0016 0.0086 0.0076 0.0004 -0.0185 -0.0102 0.0014 0.0154 -0.0063 -0.0002 -0.0003 -0.0010 -0.0096 -0.0020 -0.0024 0.0010 -0.0056 -0.0013 -0.0027 -0.0003 -0.0143 -0.0015 0.0213 -0.0005 0.0011 -0.0031 -0.0036 -0.0081 0.0041 0.0004 -0.0022 0.0057 -0.0013 ( 38.83%) 0.6231*Mo 21 s( 8.91%)p 0.01( 0.09%)d10.20( 90.88%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 -0.2983 -0.0016 0.0088 -0.0075 -0.0015 -0.0002 0.0000 0.0090 0.0149 -0.0037 0.0035 0.0000 -0.0147 -0.0170 -0.0010 -0.0004 0.0000 0.0041 0.0030 0.0007 0.0001 0.8082 0.0096 0.0037 -0.0080 -0.2629 -0.0054 0.0019 0.0020 -0.2511 0.0231 0.0050 0.0016 0.3137 0.0533 0.0027 0.0020 0.1445 0.0178 0.0163 -0.0038 -0.0089 0.0032 -0.0006 0.0003 -0.0016 -0.0009 0.0159 -0.0044 0.0006 -0.0041 0.0044 0.0001 0.0014 0.0045 -0.0009 -0.0150 -0.0031 -0.0024 -0.0120 -0.0086 -0.0008 -0.0070 -0.0005 0.0022 0.0011 -0.0004 0.0020 -0.0036 0.0019 -0.0034 -0.0008 0.0072 -0.0001 0.0011 0.0022 -0.0019 0.0021 -0.0106 0.0010 102. (0.46632) 3Cn( 1) C 8- C 9-Mo 21 ( 0.33%) 0.0572* C 8 s( 6.61%)p14.05( 92.94%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2558 0.0267 0.0008 0.0004 0.0003 0.0000 -0.3568 0.0100 0.0056 0.0023 -0.8888 -0.0260 0.0055 -0.0017 0.1022 -0.0294 -0.0006 -0.0023 -0.0011 0.0089 0.0003 -0.0167 -0.0011 0.0010 -0.0324 0.0039 0.0008 0.0381 0.0032 0.0007 0.0212 -0.0043 0.0008 0.0178 -0.0006 -0.0156 -0.0011 -0.0033 0.0003 0.0133 -0.0003 -0.0081 0.0009 -0.0108 -0.0026 0.0013 -0.0014 -0.0030 0.0028 0.0013 -0.0083 -0.0060 -0.0026 -0.0042 0.0042 0.0007 ( 27.88%) 0.5280* C 9 s( 5.49%)p17.14( 94.07%)d 0.06( 0.34%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 -0.2319 0.0331 0.0014 -0.0007 0.0002 0.0000 -0.5347 -0.0329 0.0029 -0.0032 -0.7968 -0.0148 0.0062 0.0014 0.1355 -0.0117 0.0007 -0.0003 -0.0436 0.0012 -0.0003 -0.0041 0.0043 0.0008 -0.0177 0.0031 0.0012 -0.0212 -0.0108 0.0001 0.0226 -0.0072 0.0010 0.0019 -0.0010 0.0065 -0.0005 -0.0104 -0.0007 0.0049 0.0010 -0.0188 0.0003 -0.0166 -0.0026 -0.0102 0.0009 0.0014 -0.0062 -0.0038 0.0053 0.0035 0.0073 0.0014 -0.0002 0.0037 ( 71.79%) 0.8473*Mo 21 s( 24.94%)p 0.01( 0.19%)d 3.00( 74.71%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 0.4990 0.0095 -0.0146 0.0069 0.0016 0.0001 0.0000 -0.0075 -0.0114 0.0042 -0.0032 0.0000 -0.0176 -0.0099 0.0006 -0.0004 0.0000 -0.0295 -0.0170 0.0074 -0.0057 0.5048 0.0101 -0.0048 -0.0037 -0.0890 -0.0103 -0.0290 -0.0056 0.5436 -0.0238 -0.0045 -0.0024 -0.3229 -0.0486 -0.0054 -0.0011 -0.2808 -0.0388 -0.0140 0.0024 0.0008 0.0150 -0.0027 0.0079 0.0020 0.0004 0.0034 0.0092 -0.0006 -0.0068 0.0061 0.0012 0.0009 -0.0091 0.0007 0.0200 -0.0007 0.0027 -0.0183 -0.0040 -0.0002 0.0075 0.0006 -0.0041 0.0000 -0.0023 -0.0024 0.0077 -0.0012 -0.0060 -0.0028 -0.0017 -0.0029 0.0007 -0.0013 0.0022 -0.0013 -0.0094 -0.0006 103. (0.33881) 3C*( 1) C 1- C 6-Mo 21 ( 8.25%) 0.2873* C 1 s( 4.97%)p19.01( 94.56%)d 0.07( 0.36%) f 0.02( 0.10%)g 0.00( 0.02%) 0.0000 -0.2221 0.0203 0.0022 0.0008 -0.0003 0.0000 -0.2458 0.0264 0.0041 0.0033 0.8917 0.0204 -0.0041 0.0009 -0.2972 -0.0205 0.0080 -0.0005 -0.0299 -0.0054 -0.0007 -0.0012 0.0075 -0.0005 0.0373 -0.0107 0.0001 0.0316 0.0071 0.0002 -0.0041 0.0013 0.0016 -0.0100 -0.0015 -0.0032 -0.0004 0.0077 -0.0011 0.0092 -0.0020 -0.0097 0.0005 -0.0238 -0.0016 0.0066 0.0016 -0.0071 -0.0024 0.0031 -0.0015 0.0030 0.0060 -0.0068 0.0015 0.0024 ( 8.55%) -0.2924* C 6 s( 8.21%)p11.12( 91.35%)d 0.04( 0.33%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2852 -0.0280 -0.0012 0.0005 0.0001 0.0000 0.3539 0.0124 0.0009 0.0013 -0.8210 -0.0075 0.0080 0.0017 0.3354 0.0387 -0.0032 0.0022 -0.0143 -0.0052 -0.0002 0.0259 -0.0011 0.0006 -0.0450 0.0054 0.0002 0.0064 0.0090 -0.0005 0.0148 0.0008 -0.0013 0.0017 0.0001 0.0026 -0.0010 -0.0242 0.0007 0.0124 0.0019 -0.0033 0.0009 0.0109 0.0017 -0.0016 -0.0001 -0.0039 -0.0081 0.0022 -0.0037 0.0048 0.0005 -0.0029 0.0031 0.0037 ( 83.20%) 0.9121*Mo 21 s( 49.38%)p 0.00( 0.19%)d 1.02( 50.22%) f 0.00( 0.18%)g 0.00( 0.04%) 0.0000 0.7020 0.0246 -0.0183 0.0069 0.0022 -0.0001 0.0000 -0.0006 0.0012 0.0033 -0.0026 0.0000 -0.0082 0.0123 -0.0002 0.0010 0.0000 -0.0334 -0.0208 0.0086 -0.0067 0.0423 -0.0258 -0.0068 0.0005 -0.0589 0.0043 -0.0272 -0.0072 -0.6653 -0.0299 -0.0058 0.0029 -0.0936 -0.0544 -0.0059 -0.0020 0.1943 -0.0469 -0.0122 -0.0011 0.0136 0.0129 -0.0023 0.0054 -0.0020 0.0003 -0.0126 0.0142 -0.0013 -0.0013 0.0070 0.0017 0.0157 0.0033 0.0018 0.0229 -0.0060 0.0033 -0.0132 -0.0028 -0.0001 -0.0085 -0.0004 -0.0076 0.0017 0.0081 -0.0012 0.0018 -0.0034 -0.0023 -0.0031 -0.0051 -0.0019 0.0089 -0.0008 0.0020 -0.0016 0.0003 -0.0035 104. (0.17781) 3C*( 1) C 2- C 7- C 10 ( 48.23%) 0.6945* C 2 s( 7.14%)p12.95( 92.42%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2655 -0.0297 -0.0003 0.0004 -0.0003 0.0000 0.3594 -0.0047 -0.0010 -0.0008 0.8239 0.0142 -0.0053 -0.0002 -0.3388 -0.0340 0.0014 -0.0033 -0.0029 -0.0044 0.0004 -0.0193 0.0023 -0.0004 -0.0501 0.0031 -0.0005 -0.0160 0.0035 -0.0009 0.0150 0.0026 -0.0006 -0.0008 -0.0004 0.0155 0.0002 0.0211 -0.0008 -0.0005 -0.0016 0.0113 0.0018 0.0082 0.0018 0.0032 0.0010 -0.0058 -0.0026 0.0068 0.0042 0.0022 -0.0047 0.0002 -0.0033 -0.0035 ( 22.93%) -0.4788* C 7 s( 8.72%)p10.39( 90.59%)d 0.07( 0.59%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 0.2927 -0.0389 -0.0008 0.0009 -0.0004 0.0000 0.2321 -0.0183 0.0042 -0.0025 0.8976 0.0304 0.0020 0.0015 -0.2121 0.0004 0.0090 0.0033 -0.0281 -0.0062 -0.0008 0.0013 0.0135 -0.0016 -0.0174 0.0187 0.0011 -0.0635 -0.0008 -0.0027 -0.0126 -0.0051 -0.0009 0.0001 -0.0017 -0.0115 0.0011 0.0001 0.0019 -0.0033 -0.0033 0.0024 -0.0011 0.0268 0.0018 -0.0061 0.0015 0.0010 0.0037 -0.0012 -0.0024 -0.0074 0.0039 -0.0005 0.0054 0.0000 ( 28.84%) 0.5370* C 10 s( 6.19%)p15.07( 93.32%)d 0.06( 0.39%) f 0.01( 0.09%)g 0.00( 0.01%) 0.0000 -0.2461 0.0369 -0.0016 -0.0006 0.0000 -0.0001 -0.5396 -0.0290 -0.0001 -0.0040 -0.7537 -0.0045 0.0021 0.0019 0.2699 0.0099 -0.0049 -0.0015 -0.0385 -0.0025 -0.0012 0.0227 -0.0039 -0.0005 0.0212 -0.0158 0.0006 -0.0322 -0.0093 -0.0010 0.0050 0.0002 0.0020 0.0100 0.0009 -0.0037 0.0006 -0.0012 -0.0001 0.0091 -0.0011 0.0085 -0.0026 -0.0241 -0.0027 -0.0077 0.0004 -0.0058 0.0031 0.0024 0.0006 0.0005 -0.0087 0.0015 -0.0007 -0.0022 105. (0.47430) 3C*( 1) C 4- C 5-Mo 21 ( 6.45%) 0.2540* C 4 s( 7.85%)p11.69( 91.74%)d 0.04( 0.31%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 -0.2786 0.0286 0.0008 -0.0009 0.0001 0.0000 -0.3821 -0.0089 0.0077 0.0012 0.8749 0.0228 -0.0040 0.0014 -0.0650 0.0324 0.0034 0.0034 0.0251 -0.0082 0.0000 0.0132 0.0059 -0.0015 -0.0390 -0.0042 0.0001 0.0152 0.0019 0.0016 0.0203 -0.0004 0.0001 -0.0211 -0.0003 0.0045 -0.0004 0.0147 0.0016 -0.0068 -0.0005 -0.0103 0.0017 -0.0078 -0.0019 0.0019 0.0002 -0.0029 -0.0004 0.0043 0.0038 -0.0077 0.0067 0.0002 -0.0038 -0.0016 ( 57.23%) -0.7565* C 5 s( 8.51%)p10.69( 91.00%)d 0.05( 0.39%) f 0.01( 0.08%)g 0.00( 0.01%) 0.0000 -0.2890 0.0398 0.0011 -0.0008 0.0000 0.0000 -0.4616 -0.0362 0.0034 -0.0017 0.8116 0.0096 -0.0041 -0.0015 -0.1916 -0.0119 -0.0055 -0.0024 0.0519 -0.0035 0.0003 -0.0187 -0.0013 -0.0016 0.0086 0.0076 0.0004 -0.0185 -0.0102 0.0014 0.0154 -0.0063 -0.0002 -0.0003 -0.0010 -0.0096 -0.0020 -0.0024 0.0010 -0.0056 -0.0013 -0.0027 -0.0003 -0.0143 -0.0015 0.0213 -0.0005 0.0011 -0.0031 -0.0036 -0.0081 0.0041 0.0004 -0.0022 0.0057 -0.0013 ( 36.32%) 0.6027*Mo 21 s( 8.91%)p 0.01( 0.09%)d10.20( 90.88%) f 0.01( 0.09%)g 0.00( 0.03%) 0.0000 -0.2983 -0.0016 0.0088 -0.0075 -0.0015 -0.0002 0.0000 0.0090 0.0149 -0.0037 0.0035 0.0000 -0.0147 -0.0170 -0.0010 -0.0004 0.0000 0.0041 0.0030 0.0007 0.0001 0.8082 0.0096 0.0037 -0.0080 -0.2629 -0.0054 0.0019 0.0020 -0.2511 0.0231 0.0050 0.0016 0.3137 0.0533 0.0027 0.0020 0.1445 0.0178 0.0163 -0.0038 -0.0089 0.0032 -0.0006 0.0003 -0.0016 -0.0009 0.0159 -0.0044 0.0006 -0.0041 0.0044 0.0001 0.0014 0.0045 -0.0009 -0.0150 -0.0031 -0.0024 -0.0120 -0.0086 -0.0008 -0.0070 -0.0005 0.0022 0.0011 -0.0004 0.0020 -0.0036 0.0019 -0.0034 -0.0008 0.0072 -0.0001 0.0011 0.0022 -0.0019 0.0021 -0.0106 0.0010 106. (0.35367) 3C*( 1) C 8- C 9-Mo 21 ( 58.21%) 0.7629* C 8 s( 6.61%)p14.05( 92.94%)d 0.05( 0.34%) f 0.01( 0.09%)g 0.00( 0.02%) 0.0000 0.2558 -0.0267 -0.0008 -0.0004 -0.0003 0.0000 0.3568 -0.0100 -0.0056 -0.0023 0.8888 0.0260 -0.0055 0.0017 -0.1022 0.0294 0.0006 0.0023 0.0011 -0.0089 -0.0003 0.0167 0.0011 -0.0010 0.0324 -0.0039 -0.0008 -0.0381 -0.0032 -0.0007 -0.0212 0.0043 -0.0008 -0.0178 0.0006 0.0156 0.0011 0.0033 -0.0003 -0.0133 0.0003 0.0081 -0.0009 0.0108 0.0026 -0.0013 0.0014 0.0030 -0.0028 -0.0013 0.0083 0.0060 0.0026 0.0042 -0.0042 -0.0007 ( 32.55%) -0.5705* C 9 s( 5.49%)p17.14( 94.07%)d 0.06( 0.34%) f 0.02( 0.09%)g 0.00( 0.02%) 0.0000 0.2319 -0.0331 -0.0014 0.0007 -0.0002 0.0000 0.5347 0.0329 -0.0029 0.0032 0.7968 0.0148 -0.0062 -0.0014 -0.1355 0.0117 -0.0007 0.0003 0.0436 -0.0012 0.0003 0.0041 -0.0043 -0.0008 0.0177 -0.0031 -0.0012 0.0212 0.0108 -0.0001 -0.0226 0.0072 -0.0010 -0.0019 0.0010 -0.0065 0.0005 0.0104 0.0007 -0.0049 -0.0010 0.0188 -0.0003 0.0166 0.0026 0.0102 -0.0009 -0.0014 0.0062 0.0038 -0.0053 -0.0035 -0.0073 -0.0014 0.0002 -0.0037 ( 9.24%) 0.3040*Mo 21 s( 24.94%)p 0.01( 0.19%)d 3.00( 74.71%) f 0.01( 0.13%)g 0.00( 0.03%) 0.0000 -0.4990 -0.0095 0.0146 -0.0069 -0.0016 -0.0001 0.0000 0.0075 0.0114 -0.0042 0.0032 0.0000 0.0176 0.0099 -0.0006 0.0004 0.0000 0.0295 0.0170 -0.0074 0.0057 -0.5048 -0.0101 0.0048 0.0037 0.0890 0.0103 0.0290 0.0056 -0.5436 0.0238 0.0045 0.0024 0.3229 0.0486 0.0054 0.0011 0.2808 0.0388 0.0140 -0.0024 -0.0008 -0.0150 0.0027 -0.0079 -0.0020 -0.0004 -0.0034 -0.0092 0.0006 0.0068 -0.0061 -0.0012 -0.0009 0.0091 -0.0007 -0.0200 0.0007 -0.0027 0.0183 0.0040 0.0002 -0.0075 -0.0006 0.0041 0.0000 0.0023 0.0024 -0.0077 0.0012 0.0060 0.0028 0.0017 0.0029 -0.0007 0.0013 -0.0022 0.0013 0.0094 0.0006 107. (0.00389) RY ( 1) C 1 s( 1.86%)p41.13( 76.63%)d11.11( 20.70%) f 0.37( 0.70%)g 0.06( 0.11%) 0.0000 0.0186 0.1179 0.0647 -0.0001 0.0144 -0.0007 -0.0163 0.7098 -0.0985 -0.0128 -0.0280 0.0682 -0.0336 -0.0129 0.0226 -0.4940 0.0334 0.0045 0.1461 -0.0607 0.0177 0.1587 -0.2901 -0.0095 0.1080 -0.1655 -0.0012 0.0252 0.0448 0.0106 0.1356 -0.1096 0.0025 -0.0174 -0.0093 -0.0360 -0.0028 -0.0208 0.0022 -0.0045 0.0236 0.0542 0.0007 0.0123 -0.0121 -0.0320 -0.0030 -0.0202 0.0153 0.0014 0.0066 0.0195 0.0010 -0.0047 -0.0002 -0.0056 108. (0.00351) RY ( 2) C 1 s( 2.62%)p35.03( 91.92%)d 0.88( 2.32%) f 1.19( 3.11%)g 0.01( 0.02%) 0.0000 -0.0004 0.1619 -0.0023 -0.0031 0.0005 -0.0001 -0.0193 -0.5113 0.0173 -0.0068 -0.0181 -0.3156 -0.0143 -0.0076 -0.0337 -0.7444 -0.0284 -0.0262 -0.0213 0.0110 0.0047 -0.0517 0.0697 0.0032 0.0204 -0.0667 0.0061 0.0199 0.0539 0.0008 0.0713 -0.0407 -0.0120 0.0018 0.0063 -0.1151 0.0280 -0.0726 0.0202 -0.0150 0.0005 -0.0926 0.0272 0.0319 -0.0082 -0.0250 0.0109 -0.0003 -0.0106 -0.0085 0.0026 0.0012 -0.0029 0.0061 -0.0011 0.0010 109. (0.00233) RY ( 3) C 1 s( 40.50%)p 0.87( 35.20%)d 0.56( 22.87%) f 0.03( 1.38%)g 0.00( 0.06%) 0.0000 0.0025 0.6359 -0.0208 -0.0110 -0.0073 -0.0001 0.0130 -0.2119 -0.0254 0.0091 -0.0182 0.5383 0.0618 0.0212 0.0142 0.0794 0.0727 0.0029 0.2027 -0.0875 -0.0104 -0.1215 0.0487 -0.0144 0.1589 -0.1498 0.0205 0.2812 -0.0970 0.0244 0.1487 -0.0545 0.0145 0.0117 0.0011 0.0326 -0.0036 -0.0172 0.0004 0.0241 -0.0211 0.0834 -0.0192 0.0610 -0.0116 -0.0045 0.0043 0.0130 0.0108 -0.0009 -0.0003 -0.0036 -0.0079 0.0137 -0.0030 -0.0049 110. (0.00110) RY ( 4) C 1 s( 1.50%)p13.36( 19.99%)d50.30( 75.27%) f 2.06( 3.09%)g 0.10( 0.16%) 0.0000 -0.0048 0.1182 -0.0198 0.0239 0.0012 0.0007 0.0066 0.1754 0.1069 0.0458 -0.0051 -0.2525 0.1713 0.0047 0.0004 0.0991 0.2160 0.0772 0.0195 -0.2138 -0.0497 -0.1351 0.4193 -0.0108 -0.2334 -0.4262 -0.0004 0.0253 0.4756 -0.0062 0.1145 0.1751 0.0563 0.0177 0.0261 0.0368 0.0040 -0.0873 -0.0564 0.0214 -0.0370 0.0930 -0.0047 -0.0575 -0.0588 0.0191 0.0085 0.0055 0.0083 -0.0121 -0.0284 -0.0069 -0.0116 0.0031 -0.0007 0.0177 111. (0.00087) RY ( 5) C 1 s( 1.95%)p34.38( 66.93%)d13.93( 27.12%) f 1.96( 3.82%)g 0.09( 0.18%) 0.0000 -0.0055 0.1281 -0.0527 0.0027 0.0158 0.0012 0.0093 0.1432 -0.6230 -0.0433 -0.0043 -0.4169 0.2011 -0.0701 0.0007 0.1137 -0.1629 0.0047 -0.0082 -0.0021 -0.0075 -0.2352 0.1008 -0.0004 0.1494 0.0670 0.0543 0.3326 -0.1995 0.0493 -0.1471 0.0156 -0.0333 -0.0165 -0.0146 -0.0722 0.0131 -0.0475 0.0227 0.1460 -0.0237 0.0308 -0.0106 0.0782 -0.0110 -0.0133 0.0130 0.0223 -0.0029 -0.0134 0.0038 -0.0152 -0.0084 0.0248 0.0053 -0.0116 112. (0.00046) RY ( 6) C 1 s( 22.67%)p 1.41( 31.87%)d 0.83( 18.91%) f 1.13( 25.71%)g 0.04( 0.84%) 0.0000 -0.0005 0.4303 -0.2010 0.0197 0.0274 0.0012 -0.0065 0.0656 0.3889 0.0695 -0.0085 -0.3750 0.0668 0.0743 -0.0008 0.0503 -0.0209 0.0686 -0.1343 -0.1106 -0.0111 0.0230 -0.2853 0.0044 0.0005 0.2379 0.0259 -0.0199 -0.0877 -0.0384 -0.0917 0.0009 0.0392 -0.1335 -0.0106 0.3941 -0.1194 0.0566 -0.0071 0.1773 -0.0178 0.1209 -0.0630 -0.1210 0.0330 0.0066 0.0136 0.0074 0.0754 0.0040 0.0023 -0.0010 -0.0338 -0.0341 0.0176 0.0030 113. (0.00044) RY ( 7) C 1 s( 8.51%)p 2.48( 21.09%)d 2.11( 17.96%) f 5.97( 50.77%)g 0.20( 1.67%) 0.0000 0.0027 0.2625 -0.1261 0.0157 0.0039 0.0020 0.0013 0.1300 0.2614 -0.1058 -0.0008 -0.0950 0.0348 -0.0639 0.0147 0.2123 -0.1385 -0.1890 -0.1620 0.0640 0.0389 0.0172 -0.0229 0.0685 0.0407 0.0380 -0.0022 -0.0835 0.1506 0.0455 0.0379 -0.3210 -0.0541 0.0460 -0.0406 -0.4948 0.1555 -0.1860 0.0710 0.1090 -0.0057 -0.3640 0.0998 0.1567 -0.0604 0.1123 -0.0100 -0.0586 -0.0605 -0.0384 0.0700 0.0159 -0.0358 0.0281 -0.0130 -0.0270 114. (0.00034) RY ( 8) C 1 s( 5.68%)p 1.48( 8.42%)d14.03( 79.73%) f 0.97( 5.50%)g 0.12( 0.67%) 0.0000 -0.0117 0.2033 0.1111 0.0458 0.0304 0.0000 0.0017 0.1851 0.1225 -0.0409 0.0181 0.0137 -0.0457 -0.1326 -0.0049 -0.1050 0.0258 -0.0369 0.3276 0.4508 -0.0097 -0.4337 0.1460 0.0232 -0.3426 0.2293 0.0295 -0.2108 -0.1326 -0.0533 -0.1161 0.1586 -0.0487 -0.0837 0.0419 -0.1026 0.0404 0.0147 0.0172 -0.0797 -0.0145 0.0878 -0.0195 -0.0191 0.0961 0.0861 -0.0437 0.0233 -0.0484 -0.0070 0.0209 -0.0155 0.0268 -0.0337 -0.0181 0.0294 115. (0.00017) RY ( 9) C 1 s( 0.48%)p91.42( 44.26%)d99.99( 48.74%) f12.40( 6.00%)g 1.06( 0.51%) 0.0000 -0.0055 0.0399 0.0487 0.0286 -0.0059 -0.0008 -0.0065 -0.0787 -0.1540 0.0125 0.0362 0.0350 0.0828 0.0897 -0.0094 0.0376 -0.6255 0.0485 0.3609 -0.3187 0.0085 0.1284 -0.0507 0.0186 -0.4095 0.0754 -0.0051 -0.1496 0.1311 0.0155 0.0740 -0.1283 0.0312 -0.1665 0.0635 0.0816 -0.0305 -0.0646 0.0258 -0.0662 -0.0113 -0.0439 -0.0054 0.0713 -0.0491 0.0399 0.0177 0.0225 0.0285 0.0125 -0.0128 -0.0189 -0.0382 -0.0248 0.0298 0.0133 116. (0.00013) RY (10) C 1 s( 2.41%)p 6.06( 14.62%)d30.96( 74.68%) f 3.33( 8.02%)g 0.11( 0.26%) 0.0000 -0.0068 0.1295 0.0837 0.0019 -0.0167 0.0040 0.0053 0.0236 -0.0486 0.0642 -0.0009 -0.0757 -0.2867 -0.0651 -0.0039 0.0600 0.1284 0.1640 -0.1754 0.2098 -0.0137 0.3677 0.0347 0.0482 -0.5090 0.0771 -0.0752 0.4598 -0.1106 0.0453 0.1883 0.0029 0.0352 -0.1193 0.0237 -0.0472 -0.0007 -0.0342 -0.0227 -0.0568 -0.0013 -0.1142 0.0519 0.0523 0.0019 -0.1958 0.0387 0.0128 -0.0076 -0.0017 -0.0225 -0.0071 0.0366 -0.0217 -0.0041 0.0044 117. (0.00011) RY (11) C 1 s( 1.97%)p17.13( 33.80%)d22.66( 44.72%) f 7.48( 14.77%)g 2.40( 4.74%) 0.0000 -0.0024 -0.0133 0.1367 -0.0287 -0.0043 -0.0038 0.0143 -0.0137 -0.0683 -0.1855 0.0033 -0.0907 -0.3630 0.1381 -0.0156 0.0466 0.3673 0.0465 0.0923 -0.4926 0.0827 -0.1636 0.0682 0.0380 -0.0126 0.2361 -0.0430 -0.1506 -0.1284 -0.0238 0.1045 -0.2181 0.0184 -0.2055 0.0526 -0.2163 0.0173 -0.0065 0.0523 0.1574 -0.0244 0.1350 -0.0145 -0.0483 -0.0492 -0.0618 -0.0208 0.0379 -0.1233 0.0052 -0.0478 -0.1394 0.0782 -0.0089 0.0366 -0.0388 118. (0.00006) RY (12) C 1 s( 22.85%)p 1.44( 32.99%)d 1.00( 22.87%) f 0.90( 20.47%)g 0.04( 0.82%) 119. (0.00005) RY (13) C 1 s( 15.87%)p 0.31( 4.87%)d 2.17( 34.40%) f 2.73( 43.36%)g 0.09( 1.49%) 120. (0.00004) RY (14) C 1 s( 11.55%)p 3.06( 35.39%)d 3.01( 34.74%) f 1.37( 15.77%)g 0.22( 2.55%) 121. (0.00003) RY (15) C 1 s( 7.87%)p 0.66( 5.19%)d 4.70( 36.96%) f 5.98( 47.05%)g 0.37( 2.93%) 122. (0.00002) RY (16) C 1 s( 7.78%)p 0.99( 7.69%)d 6.72( 52.28%) f 3.95( 30.75%)g 0.19( 1.49%) 123. (0.00002) RY (17) C 1 s( 6.38%)p 1.54( 9.84%)d 6.41( 40.89%) f 5.58( 35.62%)g 1.14( 7.27%) 124. (0.00001) RY (18) C 1 s( 17.02%)p 1.16( 19.66%)d 1.40( 23.86%) f 2.11( 35.87%)g 0.21( 3.59%) 125. (0.00001) RY (19) C 1 s( 4.15%)p 4.26( 17.66%)d10.55( 43.76%) f 7.17( 29.73%)g 1.13( 4.70%) 126. (0.00001) RY (20) C 1 s( 4.74%)p 1.71( 8.12%)d 8.87( 42.04%) f 7.33( 34.73%)g 2.19( 10.37%) 127. (0.00001) RY (21) C 1 s( 3.45%)p 7.32( 25.23%)d11.52( 39.73%) f 8.35( 28.78%)g 0.81( 2.80%) 128. (0.00000) RY (22) C 1 s( 4.58%)p 2.71( 12.41%)d 7.94( 36.37%) f 7.70( 35.29%)g 2.48( 11.35%) 129. (0.00000) RY (23) C 1 s( 37.32%)p 0.67( 25.19%)d 0.29( 10.94%) f 0.35( 12.91%)g 0.37( 13.64%) 130. (0.00000) RY (24) C 1 s( 0.63%)p13.61( 8.58%)d17.85( 11.25%) f27.53( 17.35%)g98.70( 62.20%) 131. (0.00000) RY (25) C 1 s( 2.39%)p 3.82( 9.11%)d10.76( 25.68%) f20.84( 49.74%)g 5.48( 13.09%) 132. (0.00000) RY (26) C 1 s( 2.40%)p10.89( 26.13%)d11.84( 28.40%) f11.07( 26.57%)g 6.88( 16.50%) 133. (0.00000) RY (27) C 1 s( 7.21%)p 2.45( 17.64%)d 3.24( 23.37%) f 4.56( 32.87%)g 2.62( 18.91%) 134. (0.00000) RY (28) C 1 s( 5.82%)p 3.84( 22.30%)d 4.72( 27.45%) f 5.08( 29.56%)g 2.56( 14.87%) 135. (0.00000) RY (29) C 1 s( 6.37%)p 5.97( 38.01%)d 4.63( 29.50%) f 2.59( 16.47%)g 1.52( 9.65%) 136. (0.00000) RY (30) C 1 s( 1.37%)p 5.80( 7.98%)d23.94( 32.91%) f39.20( 53.89%)g 2.80( 3.85%) 137. (0.00000) RY (31) C 1 s( 2.58%)p 6.39( 16.47%)d22.39( 57.68%) f 6.54( 16.85%)g 2.49( 6.42%) 138. (0.00000) RY (32) C 1 s( 6.32%)p 2.19( 13.86%)d 4.61( 29.10%) f 6.83( 43.19%)g 1.19( 7.53%) 139. (0.00000) RY (33) C 1 s( 6.41%)p 5.21( 33.40%)d 4.30( 27.57%) f 3.46( 22.17%)g 1.63( 10.45%) 140. (0.00000) RY (34) C 1 s( 6.93%)p 2.20( 15.28%)d 4.89( 33.89%) f 5.65( 39.21%)g 0.67( 4.68%) 141. (0.00000) RY (35) C 1 s( 81.50%)p 0.00( 0.05%)d 0.03( 2.75%) f 0.11( 9.33%)g 0.08( 6.38%) 142. (0.00000) RY (36) C 1 s( 2.71%)p 0.38( 1.02%)d 3.27( 8.86%) f13.50( 36.54%)g18.80( 50.88%) 143. (0.00000) RY (37) C 1 s( 0.16%)p12.57( 2.04%)d99.99( 30.57%) f99.99( 24.29%)g99.99( 42.94%) 144. (0.00000) RY (38) C 1 s( 14.04%)p 0.01( 0.14%)d 1.04( 14.58%) f 2.45( 34.39%)g 2.63( 36.86%) 145. (0.00000) RY (39) C 1 s( 3.37%)p 0.20( 0.68%)d 3.74( 12.60%) f11.24( 37.90%)g13.48( 45.44%) 146. (0.00000) RY (40) C 1 s( 5.46%)p 0.12( 0.68%)d 3.23( 17.65%) f 7.75( 42.31%)g 6.21( 33.91%) 147. (0.00000) RY (41) C 1 s( 4.26%)p 0.24( 1.01%)d 2.71( 11.54%) f13.17( 56.16%)g 6.34( 27.03%) 148. (0.00000) RY (42) C 1 s( 2.39%)p 1.61( 3.85%)d 7.68( 18.38%) f17.01( 40.72%)g14.48( 34.67%) 149. (0.00000) RY (43) C 1 s( 11.14%)p 0.16( 1.79%)d 1.00( 11.13%) f 4.25( 47.40%)g 2.56( 28.55%) 150. (0.00000) RY (44) C 1 s( 5.57%)p 0.32( 1.78%)d 0.69( 3.86%) f12.70( 70.76%)g 3.23( 18.02%) 151. (0.00000) RY (45) C 1 s( 4.66%)p 0.49( 2.29%)d 3.27( 15.23%) f 7.21( 33.62%)g 9.48( 44.19%) 152. (0.00000) RY (46) C 1 s( 4.22%)p 0.46( 1.93%)d 7.14( 30.14%) f 4.32( 18.22%)g10.78( 45.49%) 153. (0.00000) RY (47) C 1 s( 9.84%)p 1.02( 10.04%)d 3.54( 34.80%) f 0.59( 5.77%)g 4.02( 39.55%) 154. (0.00000) RY (48) C 1 s( 1.39%)p 3.97( 5.52%)d16.17( 22.45%) f28.09( 39.01%)g22.79( 31.64%) 155. (0.00000) RY (49) C 1 s( 21.66%)p 0.06( 1.40%)d 0.90( 19.51%) f 1.05( 22.69%)g 1.60( 34.74%) 156. (0.00000) RY (50) C 1 s( 14.52%)p 0.28( 4.08%)d 0.55( 8.01%) f 1.17( 16.96%)g 3.89( 56.43%) 157. (0.00000) RY (51) C 1 s( 21.16%)p 0.04( 0.83%)d 0.51( 10.89%) f 0.66( 14.03%)g 2.51( 53.09%) 158. (0.00000) RY (52) C 1 s( 10.09%)p 0.38( 3.88%)d 4.73( 47.70%) f 0.85( 8.57%)g 2.95( 29.76%) 159. (0.00375) RY ( 1) C 2 s( 0.98%)p82.22( 80.86%)d16.57( 16.30%) f 1.80( 1.77%)g 0.10( 0.09%) 0.0000 0.0135 0.0899 0.0361 0.0040 -0.0160 -0.0009 -0.0221 -0.1875 -0.0244 -0.0050 0.0198 0.4443 0.0111 0.0090 -0.0210 0.7551 -0.0601 -0.0053 -0.1573 0.2028 -0.0125 -0.1408 0.1609 -0.0005 -0.0130 -0.0239 -0.0074 0.1182 -0.0325 0.0090 -0.0107 0.1872 0.0115 -0.0912 -0.0066 0.0398 -0.0221 0.0120 -0.0063 0.0229 -0.0152 -0.0123 -0.0027 -0.0190 0.0040 0.0727 -0.0225 0.0188 0.0085 -0.0139 -0.0076 0.0140 -0.0064 0.0020 -0.0044 -0.0026 160. (0.00326) RY ( 2) C 2 s( 0.80%)p99.99( 90.49%)d 8.09( 6.45%) f 2.80( 2.23%)g 0.05( 0.04%) 0.0000 0.0077 0.0809 0.0344 0.0087 -0.0106 -0.0006 0.0376 0.8741 0.0182 0.0185 -0.0055 -0.2549 -0.0209 -0.0054 -0.0214 0.2588 -0.0740 -0.0179 -0.1089 0.0718 -0.0042 0.0015 0.0620 -0.0092 -0.0376 0.0261 0.0036 0.0741 -0.1304 0.0096 -0.0380 0.1312 0.0123 -0.0047 -0.0148 -0.0693 -0.0027 0.0594 -0.0159 -0.0277 0.0061 0.0561 -0.0140 0.0046 -0.0012 -0.0916 0.0301 0.0002 0.0132 -0.0098 -0.0022 -0.0006 -0.0049 0.0106 0.0014 0.0029 161. (0.00139) RY ( 3) C 2 s( 32.15%)p 1.39( 44.75%)d 0.67( 21.61%) f 0.04( 1.44%)g 0.00( 0.05%) 0.0000 -0.0007 0.5668 -0.0034 0.0112 0.0115 -0.0007 0.0131 -0.3153 0.0021 -0.0030 0.0204 -0.5792 0.0080 -0.0078 -0.0001 0.0568 -0.0919 0.0130 -0.2552 0.1552 -0.0041 0.0125 -0.0368 0.0099 -0.0416 -0.0807 0.0164 0.2293 -0.0984 0.0201 0.2324 -0.0030 0.0067 -0.0274 0.0105 0.0268 0.0099 0.1029 -0.0057 0.0284 -0.0049 0.0243 -0.0035 0.0209 -0.0108 0.0112 0.0000 -0.0096 -0.0079 0.0017 0.0048 0.0062 -0.0072 -0.0005 -0.0083 -0.0135 162. (0.00080) RY ( 4) C 2 s( 15.31%)p 1.83( 28.03%)d 3.33( 50.93%) f 0.36( 5.50%)g 0.01( 0.22%) 0.0000 -0.0062 0.3700 -0.1261 -0.0141 -0.0070 0.0015 0.0044 0.1840 0.2522 0.0751 0.0072 0.2775 -0.2469 -0.0597 -0.0006 -0.1832 0.0429 -0.0145 0.1468 0.3925 0.0041 -0.1075 -0.0860 -0.0636 0.1140 -0.0294 0.0503 0.1170 0.5040 0.0054 0.1288 -0.0992 0.0131 -0.0383 0.0033 0.0241 0.0269 -0.0345 0.0105 -0.1452 -0.0319 -0.1334 -0.0389 0.0815 -0.0442 -0.0285 -0.0124 -0.0086 0.0112 0.0119 0.0235 0.0320 0.0045 -0.0123 -0.0121 0.0007 163. (0.00072) RY ( 5) C 2 s( 15.49%)p 1.22( 18.91%)d 3.84( 59.46%) f 0.35( 5.45%)g 0.05( 0.70%) 0.0000 0.0081 0.3310 -0.2121 0.0123 -0.0088 0.0003 0.0145 0.0419 -0.2464 -0.0656 0.0281 0.2286 -0.1741 0.0322 -0.0204 -0.1048 0.1586 0.0353 -0.0974 -0.0106 -0.0145 0.3514 0.0909 0.0667 0.4931 0.0394 0.0478 -0.0556 -0.3966 0.0058 -0.1941 -0.0446 -0.0387 -0.0156 0.0295 -0.0572 -0.0387 -0.0834 -0.0185 0.0373 0.0474 -0.0414 0.0063 0.1820 -0.0512 0.0083 -0.0086 -0.0158 0.0273 0.0486 -0.0106 0.0481 -0.0241 0.0218 -0.0082 -0.0084 164. (0.00049) RY ( 6) C 2 s( 2.98%)p 6.86( 20.46%)d23.47( 70.03%) f 2.09( 6.23%)g 0.10( 0.30%) 0.0000 -0.0120 0.1656 0.0034 -0.0217 -0.0420 0.0003 -0.0024 0.1308 -0.2008 0.0294 -0.0016 0.2577 -0.0969 0.0685 0.0147 0.0522 -0.2417 -0.0671 0.1993 -0.4409 0.0212 0.0976 -0.1647 0.0170 -0.1584 -0.0976 0.0216 0.0616 -0.0989 0.0542 0.5914 -0.1615 -0.0363 -0.1774 0.0462 -0.0755 0.0418 0.0424 0.0232 0.0853 -0.0069 -0.0618 0.0372 0.0081 0.0286 0.0713 -0.0202 -0.0057 -0.0354 0.0147 0.0074 -0.0336 0.0018 -0.0094 0.0037 0.0140 165. (0.00047) RY ( 7) C 2 s( 0.05%)p99.99( 10.57%)d99.99( 15.82%) f99.99( 71.38%)g46.97( 2.19%) 0.0000 -0.0005 -0.0076 0.0166 0.0100 0.0059 0.0001 0.0128 0.1387 -0.0428 -0.2292 -0.0091 -0.1059 0.0400 0.1160 -0.0003 -0.0523 0.0288 0.0447 -0.0662 0.0411 0.0041 -0.0671 0.2525 0.0640 -0.0267 -0.1458 -0.0500 -0.0646 0.1455 0.0462 -0.0258 -0.1623 -0.0284 -0.2842 0.0959 0.3931 -0.1233 -0.3164 0.0966 0.4149 -0.1174 -0.1027 0.0462 0.0396 -0.0119 0.3612 -0.1176 0.0757 -0.0597 0.0635 -0.0777 0.0278 -0.0121 -0.0356 -0.0119 -0.0145 166. (0.00021) RY ( 8) C 2 s( 7.95%)p 2.49( 19.81%)d 7.48( 59.48%) f 1.52( 12.11%)g 0.08( 0.65%) 0.0000 0.0012 0.2537 0.0917 -0.0814 0.0104 0.0034 -0.0119 0.0130 0.2143 -0.0948 -0.0242 0.1119 -0.0029 -0.0325 0.0055 -0.0299 0.3562 0.0295 -0.1158 0.0289 -0.0328 -0.1246 0.1516 -0.0050 -0.4120 0.2857 -0.0275 -0.4766 -0.1812 -0.0212 0.1235 -0.0983 -0.0593 0.0744 0.0285 -0.1426 0.0272 0.0764 -0.0361 0.1763 0.0078 -0.1769 0.0617 0.0548 -0.0507 -0.1192 0.0218 0.0073 0.0288 0.0541 0.0106 -0.0055 0.0085 -0.0133 0.0228 0.0425 167. (0.00016) RY ( 9) C 2 s( 2.74%)p20.14( 55.08%)d13.04( 35.68%) f 1.90( 5.20%)g 0.48( 1.30%) 0.0000 0.0018 0.1571 0.0217 0.0468 0.0047 0.0022 0.0175 0.0434 -0.4605 -0.0826 -0.0012 0.0998 0.5403 -0.0999 0.0038 -0.0716 -0.0595 -0.0958 0.1296 0.2420 -0.0657 0.1849 0.0627 -0.0372 -0.2886 0.1151 -0.0263 0.1789 0.1201 -0.0134 -0.1991 -0.2321 0.0162 -0.0420 -0.0100 -0.1751 0.0149 -0.0386 -0.0150 -0.0401 0.0243 -0.0985 0.0180 -0.0466 -0.0195 -0.0363 0.0375 -0.0502 -0.0022 -0.0206 0.0307 -0.0022 0.0455 -0.0547 0.0474 0.0429 168. (0.00013) RY (10) C 2 s( 0.43%)p31.31( 13.50%)d99.99( 57.54%) f64.57( 27.85%)g 1.56( 0.67%) 0.0000 -0.0090 -0.0196 0.0483 0.0308 -0.0237 -0.0005 0.0065 -0.0137 -0.0713 -0.0923 -0.0020 0.0686 0.0166 0.0707 0.0132 -0.0617 -0.3206 -0.0672 -0.4227 0.1288 -0.0884 0.2572 -0.1151 0.0198 0.0293 -0.0128 -0.0332 -0.4766 0.1928 -0.0654 0.1159 0.0882 0.0228 -0.2798 0.0259 0.0843 -0.0477 -0.1238 0.0611 -0.1508 0.0323 0.1464 -0.0202 -0.1248 0.0394 -0.3185 0.0830 0.0114 -0.0549 -0.0342 0.0084 -0.0249 -0.0214 -0.0321 0.0156 0.0005 169. (0.00006) RY (11) C 2 s( 2.96%)p16.91( 50.08%)d 9.43( 27.93%) f 5.79( 17.16%)g 0.63( 1.87%) 170. (0.00005) RY (12) C 2 s( 12.19%)p 0.70( 8.57%)d 3.51( 42.81%) f 2.91( 35.48%)g 0.08( 0.96%) 171. (0.00004) RY (13) C 2 s( 13.21%)p 1.48( 19.54%)d 3.30( 43.55%) f 1.09( 14.45%)g 0.70( 9.25%) 172. (0.00004) RY (14) C 2 s( 0.34%)p20.86( 7.15%)d69.14( 23.71%) f99.99( 66.59%)g 6.44( 2.21%) 173. (0.00003) RY (15) C 2 s( 7.87%)p 4.08( 32.12%)d 3.38( 26.61%) f 4.12( 32.48%)g 0.12( 0.92%) 174. (0.00002) RY (16) C 2 s( 2.52%)p22.14( 55.79%)d 9.06( 22.82%) f 7.08( 17.84%)g 0.41( 1.03%) 175. (0.00002) RY (17) C 2 s( 5.00%)p 3.53( 17.65%)d 4.89( 24.45%) f 9.30( 46.53%)g 1.27( 6.37%) 176. (0.00002) RY (18) C 2 s( 2.03%)p 5.37( 10.89%)d17.52( 35.51%) f22.53( 45.65%)g 2.93( 5.93%) 177. (0.00001) RY (19) C 2 s( 2.16%)p 9.30( 20.10%)d16.83( 36.39%) f14.10( 30.49%)g 5.02( 10.85%) 178. (0.00001) RY (20) C 2 s( 10.62%)p 1.32( 13.99%)d 1.89( 20.06%) f 4.07( 43.21%)g 1.14( 12.11%) 179. (0.00001) RY (21) C 2 s( 14.34%)p 0.68( 9.75%)d 3.61( 51.81%) f 1.42( 20.42%)g 0.26( 3.68%) 180. (0.00001) RY (22) C 2 s( 20.59%)p 0.66( 13.66%)d 2.15( 44.28%) f 0.94( 19.40%)g 0.10( 2.07%) 181. (0.00000) RY (23) C 2 s( 5.74%)p 1.61( 9.23%)d 5.48( 31.45%) f 1.39( 8.01%)g 7.94( 45.57%) 182. (0.00000) RY (24) C 2 s( 1.94%)p 1.22( 2.36%)d11.28( 21.89%) f27.34( 53.04%)g10.71( 20.77%) 183. (0.00000) RY (25) C 2 s( 1.56%)p 5.06( 7.89%)d11.65( 18.15%) f23.32( 36.34%)g23.15( 36.07%) 184. (0.00000) RY (26) C 2 s( 10.07%)p 0.42( 4.21%)d 2.16( 21.76%) f 4.63( 46.64%)g 1.72( 17.32%) 185. (0.00000) RY (27) C 2 s( 2.93%)p 7.84( 22.95%)d10.13( 29.66%) f 9.52( 27.87%)g 5.67( 16.59%) 186. (0.00000) RY (28) C 2 s( 2.83%)p 5.79( 16.37%)d16.97( 48.00%) f 9.12( 25.80%)g 2.48( 7.00%) 187. (0.00000) RY (29) C 2 s( 5.59%)p 6.74( 37.68%)d 3.09( 17.27%) f 2.78( 15.55%)g 4.27( 23.90%) 188. (0.00000) RY (30) C 2 s( 13.92%)p 2.41( 33.57%)d 2.18( 30.38%) f 0.83( 11.59%)g 0.76( 10.54%) 189. (0.00000) RY (31) C 2 s( 8.15%)p 2.24( 18.28%)d 4.28( 34.89%) f 3.88( 31.65%)g 0.86( 7.02%) 190. (0.00000) RY (32) C 2 s( 1.51%)p13.13( 19.81%)d34.39( 51.89%) f11.85( 17.88%)g 5.91( 8.91%) 191. (0.00000) RY (33) C 2 s( 7.18%)p 0.75( 5.40%)d 6.79( 48.77%) f 5.19( 37.26%)g 0.19( 1.38%) 192. (0.00000) RY (34) C 2 s( 15.61%)p 1.65( 25.81%)d 2.55( 39.73%) f 1.00( 15.56%)g 0.21( 3.30%) 193. (0.00000) RY (35) C 2 s( 45.88%)p 0.01( 0.50%)d 0.17( 7.81%) f 0.33( 15.28%)g 0.67( 30.52%) 194. (0.00000) RY (36) C 2 s( 24.73%)p 0.01( 0.16%)d 0.58( 14.27%) f 1.05( 25.86%)g 1.41( 34.97%) 195. (0.00000) RY (37) C 2 s( 17.57%)p 0.07( 1.17%)d 1.44( 25.37%) f 2.04( 35.76%)g 1.15( 20.13%) 196. (0.00000) RY (38) C 2 s( 0.88%)p 0.69( 0.60%)d 9.35( 8.20%) f45.26( 39.71%)g57.69( 50.61%) 197. (0.00000) RY (39) C 2 s( 1.81%)p 1.05( 1.91%)d 3.39( 6.12%) f30.24( 54.67%)g19.64( 35.49%) 198. (0.00000) RY (40) C 2 s( 7.02%)p 0.07( 0.50%)d 1.63( 11.44%) f 6.50( 45.62%)g 5.05( 35.42%) 199. (0.00000) RY (41) C 2 s( 3.48%)p 0.93( 3.23%)d 6.18( 21.49%) f12.20( 42.44%)g 8.44( 29.35%) 200. (0.00000) RY (42) C 2 s( 14.90%)p 0.02( 0.29%)d 0.20( 2.91%) f 0.95( 14.13%)g 4.55( 67.77%) 201. (0.00000) RY (43) C 2 s( 3.94%)p 0.70( 2.75%)d 4.15( 16.34%) f 7.80( 30.77%)g11.71( 46.19%) 202. (0.00000) RY (44) C 2 s( 4.28%)p 0.97( 4.13%)d 4.90( 20.98%) f11.00( 47.06%)g 5.50( 23.55%) 203. (0.00000) RY (45) C 2 s( 3.82%)p 1.10( 4.19%)d 6.57( 25.13%) f 7.25( 27.72%)g10.24( 39.13%) 204. (0.00000) RY (46) C 2 s( 10.84%)p 0.38( 4.15%)d 3.07( 33.31%) f 1.54( 16.71%)g 3.23( 34.99%) 205. (0.00000) RY (47) C 2 s( 4.13%)p 0.74( 3.04%)d 7.91( 32.69%) f 5.20( 21.50%)g 9.35( 38.64%) 206. (0.00000) RY (48) C 2 s( 5.98%)p 0.39( 2.32%)d 5.86( 35.08%) f 3.61( 21.57%)g 5.86( 35.04%) 207. (0.00000) RY (49) C 2 s( 15.19%)p 0.15( 2.30%)d 0.64( 9.68%) f 2.45( 37.25%)g 2.34( 35.59%) 208. (0.00000) RY (50) C 2 s( 42.79%)p 0.04( 1.87%)d 0.30( 12.76%) f 0.27( 11.41%)g 0.73( 31.17%) 209. (0.00000) RY (51) C 2 s( 12.06%)p 0.58( 6.97%)d 0.91( 10.96%) f 2.79( 33.62%)g 3.02( 36.39%) 210. (0.00000) RY (52) C 2 s( 31.17%)p 0.49( 15.41%)d 0.57( 17.65%) f 0.73( 22.65%)g 0.42( 13.12%) 211. (0.00394) RY ( 1) C 3 s( 0.96%)p85.72( 82.09%)d16.89( 16.18%) f 0.70( 0.67%)g 0.11( 0.10%) 0.0000 0.0186 0.0615 0.0724 0.0030 0.0142 -0.0008 -0.0081 0.7872 -0.1195 -0.0079 -0.0339 0.2527 -0.0348 -0.0210 -0.0192 0.3454 -0.0232 -0.0029 0.0624 0.0667 0.0143 -0.1953 0.2950 0.0048 0.0210 0.0852 0.0081 0.0501 -0.0505 0.0098 0.0630 -0.1055 0.0008 0.0140 0.0122 0.0246 -0.0118 0.0050 -0.0045 0.0125 -0.0116 -0.0597 -0.0062 0.0356 -0.0057 -0.0130 -0.0139 -0.0135 -0.0178 -0.0146 0.0119 0.0019 -0.0081 0.0068 -0.0041 -0.0069 212. (0.00371) RY ( 2) C 3 s( 3.66%)p24.67( 90.17%)d 0.98( 3.58%) f 0.70( 2.58%)g 0.00( 0.02%) 0.0000 0.0045 0.1910 0.0049 -0.0025 0.0030 -0.0001 -0.0271 -0.4369 0.0245 -0.0121 -0.0107 0.0198 -0.0003 0.0047 0.0326 0.8411 0.0105 0.0164 -0.0003 -0.0300 0.0085 -0.0264 0.0518 -0.0026 0.0527 0.0471 -0.0053 0.0192 0.0407 0.0034 0.0975 -0.1218 -0.0024 0.0246 -0.0052 -0.1256 0.0337 -0.0176 -0.0021 0.0842 -0.0222 0.0056 -0.0125 0.0020 -0.0024 -0.0085 0.0065 -0.0090 0.0036 -0.0004 0.0023 0.0072 -0.0011 -0.0041 0.0029 -0.0011 213. (0.00217) RY ( 3) C 3 s( 35.95%)p 1.17( 41.97%)d 0.58( 21.03%) f 0.03( 1.01%)g 0.00( 0.04%) 0.0000 0.0035 0.5994 -0.0008 -0.0124 -0.0076 -0.0004 0.0131 -0.1964 -0.0229 0.0015 -0.0223 0.5410 0.0123 0.0272 -0.0052 -0.2920 -0.0331 -0.0014 0.2454 -0.0904 0.0081 -0.0253 0.0487 0.0107 0.0916 -0.0099 0.0054 0.2486 -0.1476 0.0227 0.1733 -0.1250 0.0210 0.0175 -0.0061 0.0500 -0.0069 -0.0237 0.0100 0.0021 0.0060 -0.0096 0.0060 0.0783 -0.0139 -0.0045 0.0065 -0.0032 -0.0069 0.0090 0.0084 -0.0064 0.0090 -0.0064 -0.0013 0.0034 214. (0.00095) RY ( 4) C 3 s( 5.72%)p 8.23( 47.14%)d 7.57( 43.31%) f 0.65( 3.74%)g 0.01( 0.08%) 0.0000 -0.0069 0.2285 -0.0700 0.0078 0.0033 0.0004 -0.0021 0.1165 0.5868 0.0559 0.0112 -0.1747 -0.0285 0.0293 -0.0023 -0.0616 -0.2622 -0.0746 -0.0668 -0.3233 -0.0211 -0.0856 0.0386 -0.0041 0.2047 0.2947 0.0426 -0.2118 0.3197 -0.0535 0.0345 -0.1776 0.0405 0.0876 0.0161 0.1459 -0.0181 -0.0172 -0.0237 -0.0186 0.0345 -0.0055 -0.0262 -0.0455 -0.0439 0.0212 0.0178 0.0012 -0.0143 -0.0200 -0.0034 -0.0040 0.0110 0.0001 0.0035 0.0035 215. (0.00080) RY ( 5) C 3 s( 7.95%)p 5.66( 44.99%)d 5.46( 43.36%) f 0.44( 3.46%)g 0.03( 0.24%) 0.0000 -0.0084 0.2806 -0.0103 0.0223 0.0063 0.0017 0.0103 0.1959 -0.4076 0.0113 -0.0019 -0.4035 0.1677 -0.0775 0.0021 0.0706 -0.2072 -0.0188 0.0919 -0.1667 -0.0407 0.3555 -0.3496 0.0282 0.1516 0.1931 -0.0256 0.2656 -0.0223 0.0533 -0.0991 -0.0314 0.0267 0.0941 -0.0010 -0.0078 0.0090 -0.0958 0.0134 -0.0438 0.0288 -0.0499 0.0190 0.0798 -0.0364 -0.0433 0.0327 -0.0041 0.0058 0.0233 -0.0144 -0.0166 0.0224 -0.0170 0.0055 0.0220 216. (0.00054) RY ( 6) C 3 s( 13.44%)p 1.41( 18.92%)d 4.02( 53.95%) f 0.98( 13.17%)g 0.04( 0.53%) 0.0000 0.0041 0.3072 -0.1987 -0.0039 0.0211 0.0011 -0.0019 0.0442 0.1572 -0.0057 -0.0182 -0.3790 0.1034 0.0707 0.0021 0.0380 0.0202 -0.0306 -0.1196 0.0369 0.0274 0.0727 0.3927 -0.0119 -0.3202 -0.3794 -0.0206 0.1786 -0.1309 -0.0006 0.1626 0.2012 0.0231 0.1440 -0.0310 0.1812 -0.0987 -0.0177 0.0417 -0.2269 -0.0112 0.0533 -0.0274 0.0247 0.0049 -0.0971 0.0076 -0.0163 -0.0317 -0.0036 0.0229 -0.0111 0.0458 0.0304 0.0116 -0.0137 217. (0.00046) RY ( 7) C 3 s( 4.03%)p 4.21( 16.96%)d 4.03( 16.27%) f15.11( 60.93%)g 0.45( 1.81%) 0.0000 0.0007 0.1781 -0.0923 0.0060 0.0063 0.0014 0.0066 0.1491 0.1214 -0.1448 -0.0057 -0.1334 0.0578 0.0002 -0.0130 -0.1426 0.1708 0.2018 -0.0599 0.0624 0.0284 0.0604 0.0118 -0.0579 -0.0724 -0.1646 -0.0196 -0.0186 0.1811 0.0579 0.0915 -0.2531 -0.0751 -0.0622 0.0243 -0.6930 0.1966 -0.1881 0.0633 0.1568 -0.0859 0.0414 -0.0165 0.0694 -0.0217 0.0818 -0.0250 -0.0608 0.0749 0.0168 0.0381 0.0793 -0.0118 -0.0144 0.0011 -0.0214 218. (0.00032) RY ( 8) C 3 s( 10.51%)p 0.84( 8.83%)d 7.06( 74.21%) f 0.57( 5.94%)g 0.05( 0.52%) 0.0000 -0.0114 0.3137 0.0492 0.0534 0.0357 0.0001 -0.0011 0.1092 0.1506 -0.0273 0.0230 -0.0151 -0.0241 -0.0728 -0.0018 0.0969 0.1896 0.0302 0.4174 0.2666 -0.0061 0.1387 -0.1707 -0.0422 0.1791 -0.2333 -0.0530 -0.4561 0.0266 -0.0412 -0.2580 0.2833 -0.0003 0.0966 -0.0618 0.0111 -0.0056 0.1373 -0.0115 -0.0655 0.0328 -0.0912 0.0610 -0.0144 0.0622 0.0708 -0.0249 0.0177 0.0255 0.0207 -0.0429 -0.0032 -0.0092 0.0316 -0.0286 0.0076 219. (0.00018) RY ( 9) C 3 s( 2.35%)p22.78( 53.59%)d14.13( 33.25%) f 4.04( 9.51%)g 0.55( 1.30%) 0.0000 -0.0009 -0.0547 0.1408 -0.0262 -0.0059 -0.0001 0.0029 0.0195 0.1894 -0.1145 -0.0098 0.0341 -0.2092 -0.0610 0.0109 0.0414 -0.6555 0.0792 0.0562 0.2863 0.0131 0.1818 -0.1613 0.0277 -0.1979 -0.0592 -0.0543 -0.0518 -0.1679 -0.0159 0.3168 0.0918 -0.0420 -0.1286 0.0051 -0.0077 0.0284 -0.1548 0.0543 0.0658 -0.0021 -0.1736 0.0404 0.0449 0.0440 0.0888 -0.0530 0.0073 0.0793 0.0319 -0.0071 0.0033 -0.0447 -0.0347 0.0068 -0.0487 220. (0.00011) RY (10) C 3 s( 2.58%)p22.40( 57.80%)d 7.76( 20.02%) f 6.85( 17.69%)g 0.74( 1.91%) 0.0000 -0.0057 0.1508 -0.0383 -0.0365 0.0156 0.0006 0.0214 0.0126 -0.0294 -0.0129 -0.0100 -0.0852 -0.7461 -0.0583 0.0067 -0.0161 0.0170 -0.0911 -0.1945 -0.0703 0.0492 -0.0985 -0.0407 -0.0660 0.1238 -0.1392 0.0900 0.2127 0.0300 -0.0489 -0.1971 0.0883 -0.0366 -0.0650 0.0317 -0.1269 0.0086 0.1159 -0.0380 0.0360 -0.0008 -0.2198 0.0019 -0.0159 0.0276 -0.2994 0.0183 0.0809 0.0591 -0.0187 -0.0738 -0.0323 -0.0126 -0.0264 0.0179 -0.0316 221. (0.00008) RY (11) C 3 s( 8.56%)p 1.30( 11.10%)d 6.60( 56.44%) f 2.22( 18.98%)g 0.58( 4.92%) 222. (0.00006) RY (12) C 3 s( 39.48%)p 0.31( 12.12%)d 0.77( 30.54%) f 0.44( 17.51%)g 0.01( 0.35%) 223. (0.00006) RY (13) C 3 s( 12.13%)p 0.41( 5.02%)d 4.48( 54.32%) f 2.26( 27.37%)g 0.09( 1.15%) 224. (0.00004) RY (14) C 3 s( 5.38%)p 3.37( 18.15%)d 9.15( 49.22%) f 4.78( 25.72%)g 0.29( 1.54%) 225. (0.00003) RY (15) C 3 s( 2.23%)p 3.42( 7.62%)d15.72( 35.02%) f23.80( 53.02%)g 0.95( 2.11%) 226. (0.00002) RY (16) C 3 s( 16.01%)p 0.64( 10.28%)d 1.79( 28.58%) f 2.26( 36.11%)g 0.56( 9.02%) 227. (0.00002) RY (17) C 3 s( 0.20%)p62.91( 12.52%)d99.99( 52.00%) f99.99( 32.23%)g15.35( 3.05%) 228. (0.00001) RY (18) C 3 s( 16.06%)p 1.68( 27.05%)d 1.69( 27.17%) f 1.62( 26.04%)g 0.23( 3.68%) 229. (0.00001) RY (19) C 3 s( 6.26%)p 4.88( 30.56%)d 5.94( 37.19%) f 4.00( 25.08%)g 0.14( 0.90%) 230. (0.00001) RY (20) C 3 s( 3.19%)p 3.70( 11.79%)d11.84( 37.72%) f13.65( 43.47%)g 1.20( 3.83%) 231. (0.00001) RY (21) C 3 s( 8.03%)p 1.50( 12.04%)d 4.66( 37.40%) f 4.21( 33.81%)g 1.09( 8.72%) 232. (0.00000) RY (22) C 3 s( 4.81%)p 3.45( 16.57%)d11.29( 54.23%) f 4.61( 22.17%)g 0.46( 2.22%) 233. (0.00001) RY (23) C 3 s( 0.74%)p10.46( 7.71%)d62.58( 46.15%) f50.66( 37.36%)g10.90( 8.04%) 234. (0.00000) RY (24) C 3 s( 8.05%)p 1.40( 11.24%)d 4.80( 38.67%) f 2.62( 21.12%)g 2.60( 20.92%) 235. (0.00000) RY (25) C 3 s( 1.12%)p10.26( 11.48%)d25.06( 28.04%) f18.27( 20.45%)g34.77( 38.91%) 236. (0.00000) RY (26) C 3 s( 2.31%)p10.44( 24.16%)d12.13( 28.05%) f 9.87( 22.84%)g 9.79( 22.64%) 237. (0.00000) RY (27) C 3 s( 3.65%)p 0.98( 3.58%)d 4.91( 17.94%) f15.06( 55.01%)g 5.42( 19.82%) 238. (0.00000) RY (28) C 3 s( 8.29%)p 2.97( 24.61%)d 4.23( 35.10%) f 2.63( 21.78%)g 1.23( 10.22%) 239. (0.00000) RY (29) C 3 s( 3.64%)p12.29( 44.80%)d 6.19( 22.58%) f 2.75( 10.04%)g 5.20( 18.94%) 240. (0.00000) RY (30) C 3 s( 2.38%)p 8.17( 19.41%)d11.75( 27.92%) f17.24( 40.97%)g 3.92( 9.32%) 241. (0.00000) RY (31) C 3 s( 2.31%)p 7.69( 17.81%)d23.24( 53.79%) f 8.62( 19.96%)g 2.64( 6.12%) 242. (0.00000) RY (32) C 3 s( 3.31%)p 4.80( 15.87%)d 7.82( 25.84%) f13.98( 46.20%)g 2.66( 8.79%) 243. (0.00000) RY (33) C 3 s( 4.24%)p 4.95( 20.99%)d 8.23( 34.90%) f 8.27( 35.05%)g 1.14( 4.82%) 244. (0.00000) RY (34) C 3 s( 55.78%)p 0.01( 0.42%)d 0.08( 4.27%) f 0.36( 20.08%)g 0.35( 19.45%) 245. (0.00000) RY (35) C 3 s( 20.97%)p 0.02( 0.34%)d 0.30( 6.37%) f 0.94( 19.70%)g 2.51( 52.62%) 246. (0.00000) RY (36) C 3 s( 14.90%)p 0.12( 1.72%)d 1.79( 26.61%) f 2.12( 31.58%)g 1.69( 25.19%) 247. (0.00000) RY (37) C 3 s( 3.50%)p 0.02( 0.07%)d 1.35( 4.72%) f17.47( 61.22%)g 8.70( 30.48%) 248. (0.00000) RY (38) C 3 s( 16.05%)p 0.05( 0.78%)d 0.85( 13.64%) f 2.38( 38.20%)g 1.95( 31.32%) 249. (0.00000) RY (39) C 3 s( 2.73%)p 0.57( 1.55%)d 5.99( 16.37%) f15.38( 42.02%)g13.66( 37.32%) 250. (0.00000) RY (40) C 3 s( 0.89%)p 1.23( 1.09%)d 9.95( 8.87%) f25.08( 22.35%)g74.93( 66.79%) 251. (0.00000) RY (41) C 3 s( 4.35%)p 0.41( 1.77%)d 2.74( 11.91%) f14.14( 61.49%)g 4.71( 20.48%) 252. (0.00000) RY (42) C 3 s( 7.07%)p 0.16( 1.13%)d 3.51( 24.84%) f 6.36( 44.96%)g 3.12( 22.01%) 253. (0.00000) RY (43) C 3 s( 3.77%)p 2.20( 8.29%)d 2.58( 9.73%) f 7.55( 28.46%)g13.19( 49.75%) 254. (0.00000) RY (44) C 3 s( 12.74%)p 0.64( 8.11%)d 1.26( 16.00%) f 2.90( 36.91%)g 2.06( 26.24%) 255. (0.00000) RY (45) C 3 s( 7.17%)p 0.10( 0.75%)d 2.23( 15.97%) f 4.74( 33.97%)g 5.88( 42.14%) 256. (0.00000) RY (46) C 3 s( 7.44%)p 1.47( 10.96%)d 2.98( 22.17%) f 3.72( 27.67%)g 4.27( 31.76%) 257. (0.00000) RY (47) C 3 s( 2.67%)p 0.35( 0.95%)d 4.43( 11.84%) f 6.22( 16.64%)g25.40( 67.91%) 258. (0.00000) RY (48) C 3 s( 22.29%)p 0.05( 1.01%)d 1.44( 31.98%) f 1.26( 28.08%)g 0.75( 16.64%) 259. (0.00000) RY (49) C 3 s( 6.16%)p 1.69( 10.41%)d 3.43( 21.12%) f 2.94( 18.10%)g 7.17( 44.20%) 260. (0.00000) RY (50) C 3 s( 5.18%)p 0.25( 1.32%)d 6.76( 35.02%) f 3.02( 15.63%)g 8.27( 42.85%) 261. (0.00000) RY (51) C 3 s( 9.43%)p 0.67( 6.33%)d 1.99( 18.80%) f 2.34( 22.10%)g 4.60( 43.35%) 262. (0.00000) RY (52) C 3 s( 47.70%)p 0.10( 4.74%)d 0.32( 15.11%) f 0.41( 19.59%)g 0.27( 12.85%) 263. (0.00373) RY ( 1) C 4 s( 0.70%)p99.99( 84.59%)d19.51( 13.63%) f 1.42( 0.99%)g 0.13( 0.09%) 0.0000 -0.0160 0.0709 -0.0370 -0.0045 0.0179 0.0004 -0.0036 0.4162 0.0280 -0.0037 0.0187 0.3482 0.0302 0.0103 0.0239 -0.7389 0.0511 0.0034 -0.0873 0.1282 -0.0022 -0.1146 0.1492 0.0006 0.0055 0.0208 -0.0089 -0.0847 0.0540 0.0008 0.1320 -0.2209 -0.0024 0.0073 0.0249 -0.0554 -0.0143 0.0263 -0.0002 0.0656 -0.0048 -0.0059 -0.0009 0.0075 -0.0075 0.0276 -0.0043 0.0021 0.0172 0.0006 -0.0017 0.0170 -0.0112 -0.0123 0.0044 0.0056 264. (0.00321) RY ( 2) C 4 s( 0.33%)p99.99( 91.70%)d13.31( 4.35%) f10.95( 3.58%)g 0.15( 0.05%) 0.0000 0.0086 -0.0287 0.0482 0.0052 -0.0045 -0.0001 0.0440 0.6984 0.0825 0.0327 0.0071 0.3854 -0.0040 0.0112 0.0107 0.5188 -0.0355 -0.0063 0.0309 -0.0088 -0.0012 0.0344 -0.1237 -0.0174 0.1278 -0.0489 0.0052 0.0153 -0.0607 0.0137 -0.0271 0.0455 -0.0031 -0.0727 0.0075 -0.0567 0.0246 -0.0772 0.0110 0.0614 -0.0110 0.0742 -0.0194 0.0103 -0.0022 0.0987 -0.0302 0.0059 -0.0053 0.0032 -0.0119 -0.0157 0.0038 -0.0021 -0.0027 0.0020 265. (0.00229) RY ( 3) C 4 s( 21.75%)p 2.13( 46.33%)d 1.36( 29.68%) f 0.10( 2.20%)g 0.00( 0.04%) 0.0000 0.0043 0.4648 0.0311 0.0191 0.0065 -0.0010 0.0016 -0.3766 0.0196 -0.0227 -0.0200 0.5547 -0.0679 0.0096 -0.0008 -0.0484 -0.0725 -0.0092 0.1717 -0.1173 0.0031 -0.0519 -0.1093 -0.0010 0.3322 -0.0663 0.0283 0.2586 -0.2188 0.0188 -0.0096 0.0898 0.0121 0.0998 -0.0168 0.0281 0.0002 -0.0686 0.0058 0.0212 0.0009 0.0356 -0.0034 -0.0576 0.0124 -0.0286 0.0156 -0.0052 -0.0085 -0.0117 -0.0051 -0.0014 0.0026 0.0037 0.0016 0.0120 266. (0.00097) RY ( 4) C 4 s( 19.35%)p 1.24( 24.05%)d 2.69( 52.01%) f 0.21( 4.14%)g 0.02( 0.45%) 0.0000 0.0005 0.4022 -0.1777 -0.0128 -0.0008 0.0005 0.0117 0.1682 0.0764 0.0648 -0.0272 -0.1893 0.3825 0.0795 0.0026 0.0292 0.0993 0.0458 0.1385 -0.4409 0.0276 -0.0700 0.2548 -0.0371 -0.1698 -0.2624 -0.0655 0.2414 0.2250 0.0505 0.1244 0.0743 -0.0045 -0.0672 -0.0182 -0.0054 -0.0405 0.0642 0.0384 0.0023 -0.0612 0.1021 0.0092 0.0788 -0.0299 -0.0891 -0.0034 0.0497 -0.0046 -0.0304 -0.0009 0.0253 0.0017 0.0118 -0.0155 0.0091 267. (0.00081) RY ( 5) C 4 s( 12.22%)p 1.54( 18.76%)d 5.13( 62.66%) f 0.48( 5.92%)g 0.04( 0.44%) 0.0000 0.0039 0.3104 -0.1591 0.0136 -0.0178 0.0008 0.0112 0.0841 -0.3264 -0.0457 -0.0171 -0.1623 0.1394 -0.0359 -0.0010 0.0109 -0.1541 -0.0244 0.3040 0.2617 0.0561 0.1505 -0.2713 0.0568 -0.2513 0.0433 -0.0240 -0.1168 -0.4198 -0.0113 0.2932 -0.1414 0.0386 -0.0985 0.0274 0.0575 0.0278 0.0394 -0.0048 0.1351 0.0216 0.0040 -0.0521 0.1172 -0.0567 0.0663 0.0180 0.0297 -0.0247 -0.0302 -0.0138 0.0125 -0.0122 -0.0104 0.0361 0.0098 268. (0.00046) RY ( 6) C 4 s( 13.27%)p 1.21( 16.00%)d 4.58( 60.83%) f 0.71( 9.40%)g 0.04( 0.51%) 0.0000 -0.0168 0.3595 0.0376 -0.0052 -0.0413 -0.0007 -0.0097 0.0104 0.0242 0.0720 0.0122 -0.3030 -0.1499 -0.0501 0.0117 0.1340 -0.1295 -0.0472 -0.2589 0.1066 0.0100 -0.3988 0.0193 0.0025 0.4460 0.0821 0.0019 -0.1946 0.1822 0.0044 0.2558 -0.1658 -0.0262 -0.1876 0.0764 0.0917 -0.0117 -0.1118 0.0038 0.1094 -0.0186 0.1044 0.0030 -0.0480 0.0184 0.0718 -0.0300 -0.0075 0.0258 0.0433 -0.0196 -0.0186 -0.0218 -0.0272 0.0156 -0.0163 269. (0.00040) RY ( 7) C 4 s( 1.39%)p 9.44( 13.09%)d10.13( 14.04%) f49.87( 69.14%)g 1.69( 2.34%) 0.0000 -0.0021 0.1163 -0.0140 -0.0052 -0.0100 0.0002 0.0124 0.2077 -0.0635 -0.2129 0.0059 -0.0333 0.0016 -0.1237 0.0074 0.1076 -0.0397 -0.0928 -0.0454 0.0531 -0.0178 -0.1209 0.2463 0.0859 0.0364 0.1533 0.0271 -0.0034 -0.1089 -0.0075 0.0323 0.1102 0.0436 0.4146 -0.1272 0.4850 -0.1389 0.1782 -0.0580 -0.1786 0.0794 -0.3063 0.0924 -0.0450 0.0175 -0.2497 0.0917 -0.1052 -0.0493 -0.0410 0.0611 0.0545 -0.0318 -0.0014 -0.0093 -0.0203 270. (0.00020) RY ( 8) C 4 s( 2.76%)p11.34( 31.34%)d19.22( 53.11%) f 4.41( 12.18%)g 0.22( 0.61%) 0.0000 -0.0072 0.1392 0.0578 -0.0683 0.0133 0.0026 -0.0130 0.1420 -0.2500 -0.1110 0.0360 -0.2424 0.1394 0.0053 -0.0132 -0.1293 0.3422 0.0688 -0.1338 0.0635 0.0118 0.0138 -0.1254 0.0280 0.3145 -0.2651 -0.0008 -0.1552 -0.2070 -0.0603 -0.4372 0.2468 -0.0218 0.1378 -0.0139 -0.1266 0.0081 0.1179 -0.0071 0.1900 -0.0262 0.1234 -0.0516 -0.1221 -0.0255 -0.0386 0.0296 0.0480 -0.0462 -0.0307 0.0151 0.0123 0.0072 -0.0034 0.0112 0.0106 271. (0.00017) RY ( 9) C 4 s( 0.56%)p28.39( 15.76%)d99.99( 55.81%) f49.46( 27.46%)g 0.75( 0.42%) 0.0000 0.0029 0.0522 -0.0490 -0.0098 -0.0179 -0.0008 0.0020 -0.0823 0.2236 -0.1262 -0.0071 0.0851 0.0092 -0.0432 -0.0064 0.0575 0.2677 0.0260 0.4786 -0.0197 0.0348 -0.2117 -0.0168 0.0148 -0.0007 0.0974 -0.0048 -0.4829 0.1429 -0.0742 -0.1047 -0.0484 -0.0121 0.1175 -0.0163 0.0527 -0.0300 0.1963 -0.0704 -0.2193 0.0598 0.2244 -0.0479 0.1391 -0.0222 0.2950 -0.0463 -0.0301 0.0194 -0.0108 0.0452 -0.0054 0.0008 0.0002 0.0206 0.0164 272. (0.00009) RY (10) C 4 s( 8.50%)p 4.28( 36.43%)d 3.75( 31.93%) f 2.49( 21.19%)g 0.23( 1.96%) 273. (0.00007) RY (11) C 4 s( 3.82%)p 9.44( 36.11%)d13.92( 53.23%) f 1.60( 6.13%)g 0.18( 0.70%) 274. (0.00005) RY (12) C 4 s( 6.79%)p 5.64( 38.27%)d 3.50( 23.77%) f 4.04( 27.44%)g 0.55( 3.73%) 275. (0.00004) RY (13) C 4 s( 3.09%)p13.97( 43.19%)d 9.94( 30.71%) f 6.83( 21.12%)g 0.61( 1.88%) 276. (0.00003) RY (14) C 4 s( 9.95%)p 2.41( 23.96%)d 5.31( 52.87%) f 0.85( 8.48%)g 0.48( 4.73%) 277. (0.00003) RY (15) C 4 s( 0.14%)p46.80( 6.40%)d99.99( 44.14%) f99.99( 46.76%)g18.77( 2.57%) 278. (0.00002) RY (16) C 4 s( 3.08%)p 6.93( 21.35%)d12.82( 39.50%) f 9.47( 29.17%)g 2.24( 6.89%) 279. (0.00001) RY (17) C 4 s( 8.71%)p 2.72( 23.70%)d 3.11( 27.13%) f 3.34( 29.13%)g 1.30( 11.33%) 280. (0.00001) RY (18) C 4 s( 8.80%)p 2.49( 21.88%)d 3.57( 31.43%) f 3.93( 34.60%)g 0.37( 3.28%) 281. (0.00001) RY (19) C 4 s( 17.93%)p 0.98( 17.53%)d 2.48( 44.43%) f 1.07( 19.11%)g 0.06( 0.99%) 282. (0.00001) RY (20) C 4 s( 2.73%)p 6.52( 17.81%)d10.85( 29.61%) f17.21( 46.98%)g 1.05( 2.88%) 283. (0.00001) RY (21) C 4 s( 26.54%)p 0.41( 10.97%)d 0.82( 21.76%) f 1.35( 35.90%)g 0.18( 4.83%) 284. (0.00000) RY (22) C 4 s( 18.61%)p 0.13( 2.33%)d 0.22( 4.02%) f 1.47( 27.45%)g 2.56( 47.58%) 285. (0.00000) RY (23) C 4 s( 16.60%)p 0.65( 10.73%)d 0.59( 9.71%) f 0.64( 10.62%)g 3.15( 52.34%) 286. (0.00000) RY (24) C 4 s( 26.14%)p 0.36( 9.49%)d 0.66( 17.25%) f 1.23( 32.03%)g 0.58( 15.09%) 287. (0.00000) RY (25) C 4 s( 8.24%)p 0.95( 7.84%)d 2.69( 22.18%) f 1.97( 16.27%)g 5.52( 45.48%) 288. (0.00000) RY (26) C 4 s( 3.20%)p 2.54( 8.11%)d 6.61( 21.15%) f 8.13( 26.01%)g12.99( 41.54%) 289. (0.00000) RY (27) C 4 s( 11.91%)p 0.76( 9.10%)d 2.98( 35.43%) f 2.32( 27.62%)g 1.34( 15.94%) 290. (0.00000) RY (28) C 4 s( 7.47%)p 3.60( 26.88%)d 4.41( 32.99%) f 2.84( 21.18%)g 1.54( 11.48%) 291. (0.00000) RY (29) C 4 s( 5.01%)p 7.87( 39.43%)d 5.30( 26.52%) f 2.82( 14.14%)g 2.98( 14.90%) 292. (0.00000) RY (30) C 4 s( 2.71%)p 3.23( 8.77%)d24.73( 67.05%) f 5.86( 15.88%)g 2.06( 5.59%) 293. (0.00000) RY (31) C 4 s( 6.35%)p 2.07( 13.12%)d 3.88( 24.67%) f 6.97( 44.31%)g 1.82( 11.55%) 294. (0.00000) RY (32) C 4 s( 22.16%)p 0.84( 18.60%)d 0.78( 17.29%) f 1.64( 36.25%)g 0.26( 5.70%) 295. (0.00000) RY (33) C 4 s( 3.88%)p 7.65( 29.71%)d 6.76( 26.25%) f 7.86( 30.54%)g 2.48( 9.62%) 296. (0.00000) RY (34) C 4 s( 8.23%)p 0.64( 5.24%)d 3.89( 32.00%) f 6.06( 49.85%)g 0.57( 4.69%) 297. (0.00000) RY (35) C 4 s( 4.72%)p 3.42( 16.11%)d10.00( 47.14%) f 6.48( 30.57%)g 0.31( 1.46%) 298. (0.00000) RY (36) C 4 s( 42.72%)p 0.01( 0.44%)d 0.35( 15.02%) f 0.60( 25.64%)g 0.38( 16.18%) 299. (0.00000) RY (37) C 4 s( 29.30%)p 0.05( 1.52%)d 0.39( 11.32%) f 1.04( 30.38%)g 0.94( 27.47%) 300. (0.00000) RY (38) C 4 s( 17.20%)p 0.06( 1.08%)d 0.18( 3.15%) f 3.18( 54.64%)g 1.39( 23.93%) 301. (0.00000) RY (39) C 4 s( 4.65%)p 0.50( 2.33%)d 2.01( 9.37%) f14.57( 67.80%)g 3.40( 15.84%) 302. (0.00000) RY (40) C 4 s( 6.61%)p 0.35( 2.35%)d 1.39( 9.16%) f 5.59( 36.99%)g 6.79( 44.89%) 303. (0.00000) RY (41) C 4 s( 3.42%)p 0.73( 2.49%)d 6.19( 21.16%) f 7.81( 26.72%)g13.52( 46.22%) 304. (0.00000) RY (42) C 4 s( 3.06%)p 1.13( 3.47%)d10.54( 32.22%) f 7.22( 22.07%)g12.81( 39.18%) 305. (0.00000) RY (43) C 4 s( 10.99%)p 0.31( 3.38%)d 0.85( 9.37%) f 2.80( 30.79%)g 4.14( 45.47%) 306. (0.00000) RY (44) C 4 s( 6.31%)p 0.83( 5.26%)d 2.71( 17.07%) f 6.32( 39.84%)g 5.00( 31.53%) 307. (0.00000) RY (45) C 4 s( 5.60%)p 0.46( 2.57%)d 1.72( 9.64%) f 3.51( 19.64%)g11.18( 62.56%) 308. (0.00000) RY (46) C 4 s( 1.89%)p 3.09( 5.83%)d21.85( 41.23%) f11.19( 21.12%)g15.87( 29.94%) 309. (0.00000) RY (47) C 4 s( 1.50%)p 3.47( 5.19%)d11.03( 16.51%) f31.95( 47.83%)g19.35( 28.98%) 310. (0.00000) RY (48) C 4 s( 8.02%)p 0.12( 0.93%)d 2.91( 23.37%) f 2.67( 21.43%)g 5.77( 46.25%) 311. (0.00000) RY (49) C 4 s( 13.76%)p 0.39( 5.43%)d 2.36( 32.53%) f 1.83( 25.17%)g 1.68( 23.11%) 312. (0.00000) RY (50) C 4 s( 8.30%)p 0.13( 1.12%)d 2.13( 17.70%) f 4.49( 37.28%)g 4.29( 35.61%) 313. (0.00000) RY (51) C 4 s( 10.01%)p 0.28( 2.76%)d 4.00( 40.05%) f 3.41( 34.18%)g 1.30( 12.99%) 314. (0.00000) RY (52) C 4 s( 9.28%)p 1.07( 9.94%)d 3.25( 30.18%) f 1.56( 14.50%)g 3.89( 36.11%) 315. (0.00360) RY ( 1) C 5 s( 0.45%)p99.99( 76.65%)d46.98( 21.32%) f 3.14( 1.43%)g 0.32( 0.14%) 0.0000 0.0153 0.0346 0.0479 0.0222 -0.0177 -0.0005 0.0304 -0.7008 0.0933 0.0174 -0.0077 -0.4996 0.0347 -0.0008 0.0056 0.1185 0.0196 0.0088 -0.0045 0.1044 0.0027 -0.0227 0.0266 0.0033 0.0916 -0.0987 0.0096 -0.0255 0.1330 0.0190 0.2808 -0.2917 0.0135 0.0023 0.0045 -0.0363 -0.0099 0.0051 -0.0160 0.0002 0.0030 0.0090 -0.0021 0.1009 -0.0009 0.0423 0.0217 0.0215 -0.0024 0.0048 -0.0215 -0.0082 0.0097 -0.0048 0.0148 -0.0090 316. (0.00271) RY ( 2) C 5 s( 0.08%)p99.99( 93.83%)d19.85( 1.56%) f57.20( 4.50%)g 0.35( 0.03%) 0.0000 0.0037 0.0277 0.0017 0.0007 0.0000 0.0000 0.0084 0.0130 0.0091 0.0018 -0.0176 -0.2034 -0.0225 -0.0078 -0.0404 -0.9349 -0.1322 -0.0519 0.0244 -0.0058 -0.0055 0.0686 -0.0724 -0.0282 -0.0047 -0.0177 -0.0041 0.0088 -0.0003 0.0048 0.0473 -0.0390 0.0004 -0.1764 0.0461 0.0089 -0.0076 -0.0959 0.0280 0.0070 0.0008 0.0385 -0.0011 -0.0032 -0.0015 -0.0084 0.0048 -0.0006 -0.0146 -0.0016 0.0005 -0.0073 -0.0002 0.0003 -0.0017 -0.0015 317. (0.00169) RY ( 3) C 5 s( 28.04%)p 1.06( 29.63%)d 1.36( 38.23%) f 0.14( 4.01%)g 0.00( 0.10%) 0.0000 -0.0001 0.5289 -0.0143 0.0054 0.0189 0.0004 0.0014 -0.1436 -0.0134 -0.0315 -0.0221 0.5074 -0.0860 0.0528 0.0062 -0.0719 0.0314 -0.0103 -0.1565 0.0545 0.0072 0.0421 0.0028 0.0029 0.1433 -0.1138 0.0036 0.3941 -0.1561 0.0319 0.2648 -0.2621 0.0039 -0.0328 -0.0066 -0.0454 0.0038 0.0657 0.0058 0.0412 -0.0158 -0.0408 -0.0017 0.0222 -0.0191 -0.1653 0.0276 0.0158 -0.0045 0.0092 -0.0049 0.0005 -0.0008 -0.0108 -0.0223 -0.0038 318. (0.00109) RY ( 4) C 5 s( 2.10%)p 6.60( 13.89%)d37.21( 78.29%) f 2.63( 5.54%)g 0.09( 0.18%) 0.0000 0.0075 0.1310 -0.0605 -0.0118 -0.0032 0.0006 0.0159 0.0177 -0.0325 -0.0087 -0.0208 -0.0471 0.0116 -0.0252 0.0141 0.0206 -0.3426 -0.1255 0.0611 -0.0597 0.0012 -0.3762 -0.0749 -0.0823 0.1901 0.6518 0.0058 -0.1058 -0.2093 -0.0073 -0.0821 -0.3144 -0.0013 0.1432 -0.0331 -0.0727 -0.0250 0.0087 -0.0137 -0.0647 -0.0561 0.1228 0.0481 -0.0478 -0.0198 -0.0081 -0.0126 0.0190 0.0113 -0.0174 0.0048 0.0027 0.0087 0.0177 -0.0235 0.0086 319. (0.00082) RY ( 5) C 5 s( 30.41%)p 0.57( 17.30%)d 1.51( 45.97%) f 0.19( 5.89%)g 0.01( 0.44%) 0.0000 0.0028 0.4866 -0.2588 0.0109 -0.0155 0.0002 0.0257 0.1791 -0.1681 -0.0383 -0.0379 -0.1548 0.2788 -0.0079 0.0076 0.0597 0.0498 0.0345 0.5891 -0.0212 0.0675 -0.0287 0.0230 0.0033 -0.0414 -0.2388 0.0087 -0.1758 -0.0888 -0.0287 0.0786 -0.0181 0.0366 0.0589 -0.0138 0.0151 -0.0190 -0.1800 0.0371 0.0590 0.0000 -0.0032 -0.0351 0.0067 -0.0293 0.1234 0.0039 0.0118 0.0134 0.0159 0.0120 -0.0431 0.0055 -0.0028 -0.0383 0.0172 320. (0.00046) RY ( 6) C 5 s( 0.13%)p99.99( 14.73%)d99.99( 15.95%) f99.99( 67.44%)g13.54( 1.75%) 0.0000 -0.0025 0.0355 0.0053 -0.0009 0.0008 0.0003 -0.0021 0.0555 -0.0100 -0.0183 -0.0001 -0.1129 0.0307 0.0536 -0.0158 -0.2012 0.0834 0.2820 -0.0348 0.0665 0.0177 -0.0384 0.3107 0.0968 -0.1590 0.0875 0.0545 0.0847 -0.0423 -0.0215 0.0277 0.0051 -0.0074 0.6059 -0.2065 -0.0046 0.0084 0.2266 -0.0758 -0.1961 0.0747 -0.3763 0.0930 0.1069 -0.0304 -0.0289 0.0059 -0.0056 0.1009 0.0359 -0.0029 0.0258 -0.0199 -0.0675 0.0199 0.0016 321. (0.00039) RY ( 7) C 5 s( 12.24%)p 2.12( 25.96%)d 4.51( 55.23%) f 0.52( 6.32%)g 0.02( 0.25%) 0.0000 -0.0155 0.3474 -0.0236 -0.0065 -0.0298 0.0020 -0.0191 0.1124 0.0410 0.0020 0.0156 -0.4754 0.0189 -0.0375 -0.0026 0.1197 -0.0412 -0.0291 -0.2348 -0.0791 0.0294 0.1078 -0.0133 -0.0311 -0.0443 0.0326 0.0013 0.4959 0.0248 -0.0405 -0.4630 0.1027 0.0356 -0.0800 0.0043 -0.1990 0.0210 -0.0288 0.0320 0.0845 -0.0114 -0.0304 -0.0159 -0.0103 -0.0162 -0.0472 -0.0620 -0.0266 -0.0017 -0.0175 0.0196 -0.0058 -0.0062 0.0145 0.0004 0.0281 322. (0.00020) RY ( 8) C 5 s( 0.45%)p41.78( 19.01%)d99.99( 63.99%) f33.54( 15.26%)g 2.84( 1.29%) 0.0000 -0.0064 -0.0361 0.0322 0.0460 -0.0065 -0.0038 -0.0036 -0.2718 0.2715 0.0741 -0.0386 0.1751 0.0154 0.0212 0.0017 -0.0393 0.0369 0.0359 0.4515 -0.2983 -0.0109 0.0526 -0.0276 0.0146 -0.0756 0.2968 -0.0015 0.3869 0.0373 0.0666 0.0065 0.3058 0.0165 -0.0134 0.0332 0.0725 0.0266 0.0046 -0.0320 -0.0412 0.0227 0.0762 0.0327 0.2649 0.0037 0.2507 -0.0464 -0.0517 -0.0086 -0.0308 0.0087 0.0526 -0.0026 0.0189 0.0720 -0.0289 323. (0.00011) RY ( 9) C 5 s( 4.08%)p 7.06( 28.80%)d11.23( 45.83%) f 4.73( 19.30%)g 0.49( 1.99%) 0.0000 0.0218 0.1386 0.0957 -0.0968 -0.0508 -0.0024 0.0197 -0.3979 -0.1463 0.0185 -0.0192 0.1640 -0.1490 0.1151 0.0200 -0.0818 -0.1755 -0.0833 0.0306 -0.0499 -0.0422 -0.2803 0.0696 0.0021 0.1342 -0.2586 0.0323 -0.1860 -0.0473 -0.0565 -0.3136 0.3807 0.0200 0.0701 -0.0185 -0.2809 0.1554 -0.0288 -0.0027 -0.1323 0.0028 -0.1003 0.0432 -0.2122 0.0436 0.0812 0.0310 -0.0853 0.0234 -0.0657 -0.0078 0.0517 -0.0457 -0.0293 -0.0173 0.0425 324. (0.00010) RY (10) C 5 s( 3.40%)p 7.37( 25.06%)d14.78( 50.21%) f 6.00( 20.39%)g 0.28( 0.93%) 0.0000 0.0207 0.0539 0.1560 -0.0676 -0.0416 0.0001 0.0152 -0.1949 -0.3457 0.0079 0.0008 0.0746 0.1086 0.1198 -0.0186 -0.0055 0.2358 0.0717 -0.0027 -0.0744 -0.0058 0.3980 -0.1069 0.0153 -0.3499 0.3979 -0.0391 -0.1625 -0.0525 -0.0733 0.0164 -0.0793 0.0562 -0.0817 0.0441 -0.2473 0.1112 -0.1048 0.0486 0.1511 -0.0368 -0.1905 0.0782 -0.2013 0.0268 0.0036 0.0243 -0.0588 -0.0219 -0.0384 0.0016 0.0164 -0.0098 0.0127 -0.0355 0.0464 325. (0.00007) RY (11) C 5 s( 5.30%)p 1.99( 10.53%)d 9.61( 50.89%) f 5.78( 30.65%)g 0.50( 2.63%) 326. (0.00006) RY (12) C 5 s( 4.45%)p 2.45( 10.91%)d11.21( 49.95%) f 7.46( 33.23%)g 0.33( 1.45%) 327. (0.00005) RY (13) C 5 s( 8.25%)p 1.13( 9.34%)d 5.30( 43.66%) f 4.42( 36.47%)g 0.28( 2.28%) 328. (0.00003) RY (14) C 5 s( 11.30%)p 3.20( 36.14%)d 1.51( 17.02%) f 2.84( 32.12%)g 0.30( 3.41%) 329. (0.00002) RY (15) C 5 s( 5.91%)p 8.88( 52.45%)d 2.43( 14.34%) f 4.16( 24.58%)g 0.46( 2.72%) 330. (0.00002) RY (16) C 5 s( 14.88%)p 2.16( 32.10%)d 1.87( 27.80%) f 1.54( 22.93%)g 0.15( 2.29%) 331. (0.00002) RY (17) C 5 s( 10.25%)p 5.45( 55.82%)d 1.32( 13.56%) f 1.73( 17.72%)g 0.26( 2.65%) 332. (0.00001) RY (18) C 5 s( 0.50%)p55.79( 27.97%)d99.99( 58.58%) f19.22( 9.64%)g 6.60( 3.31%) 333. (0.00001) RY (19) C 5 s( 5.40%)p 2.87( 15.51%)d 8.54( 46.09%) f 5.50( 29.71%)g 0.61( 3.30%) 334. (0.00001) RY (20) C 5 s( 3.82%)p 5.44( 20.78%)d 7.99( 30.52%) f10.22( 39.05%)g 1.53( 5.83%) 335. (0.00000) RY (21) C 5 s( 9.17%)p 1.81( 16.64%)d 3.90( 35.74%) f 3.72( 34.13%)g 0.47( 4.32%) 336. (0.00000) RY (22) C 5 s( 3.26%)p 2.33( 7.58%)d17.26( 56.21%) f 8.93( 29.08%)g 1.19( 3.87%) 337. (0.00001) RY (23) C 5 s( 14.74%)p 0.46( 6.74%)d 2.69( 39.59%) f 2.22( 32.69%)g 0.42( 6.25%) 338. (0.00000) RY (24) C 5 s( 11.94%)p 0.45( 5.39%)d 1.48( 17.71%) f 2.51( 29.93%)g 2.93( 35.02%) 339. (0.00000) RY (25) C 5 s( 1.76%)p 2.52( 4.43%)d18.02( 31.70%) f23.89( 42.02%)g11.42( 20.09%) 340. (0.00000) RY (26) C 5 s( 6.19%)p 3.33( 20.62%)d 2.97( 18.37%) f 3.55( 21.99%)g 5.30( 32.83%) 341. (0.00000) RY (27) C 5 s( 16.26%)p 1.23( 20.03%)d 0.85( 13.74%) f 0.58( 9.35%)g 2.50( 40.61%) 342. (0.00000) RY (28) C 5 s( 10.33%)p 1.59( 16.42%)d 3.47( 35.87%) f 2.10( 21.71%)g 1.52( 15.68%) 343. (0.00000) RY (29) C 5 s( 4.60%)p 6.46( 29.72%)d 6.09( 28.00%) f 5.69( 26.16%)g 2.51( 11.52%) 344. (0.00000) RY (30) C 5 s( 39.98%)p 0.21( 8.53%)d 0.43( 17.19%) f 0.55( 22.10%)g 0.31( 12.20%) 345. (0.00000) RY (31) C 5 s( 6.12%)p 2.46( 15.08%)d 2.95( 18.05%) f 7.75( 47.49%)g 2.16( 13.25%) 346. (0.00000) RY (32) C 5 s( 1.63%)p19.58( 31.82%)d18.59( 30.21%) f18.99( 30.87%)g 3.37( 5.47%) 347. (0.00000) RY (33) C 5 s( 4.62%)p 6.21( 28.69%)d 5.22( 24.11%) f 7.88( 36.38%)g 1.34( 6.20%) 348. (0.00000) RY (34) C 5 s( 55.63%)p 0.01( 0.33%)d 0.02( 1.18%) f 0.41( 22.63%)g 0.36( 20.24%) 349. (0.00000) RY (35) C 5 s( 14.32%)p 0.07( 1.01%)d 0.50( 7.14%) f 3.87( 55.39%)g 1.55( 22.14%) 350. (0.00000) RY (36) C 5 s( 3.35%)p 0.60( 1.99%)d 1.69( 5.67%) f 9.73( 32.54%)g16.87( 56.45%) 351. (0.00000) RY (37) C 5 s( 16.65%)p 0.14( 2.37%)d 0.68( 11.32%) f 2.18( 36.23%)g 2.01( 33.43%) 352. (0.00000) RY (38) C 5 s( 0.23%)p 1.81( 0.41%)d41.18( 9.38%) f99.99( 29.17%)g99.99( 60.82%) 353. (0.00000) RY (39) C 5 s( 0.63%)p 1.72( 1.09%)d32.90( 20.87%) f79.52( 50.46%)g42.47( 26.95%) 354. (0.00000) RY (40) C 5 s( 9.27%)p 0.18( 1.71%)d 2.24( 20.80%) f 4.44( 41.17%)g 2.92( 27.05%) 355. (0.00000) RY (41) C 5 s( 0.37%)p 3.24( 1.21%)d43.17( 16.07%) f80.08( 29.81%)g99.99( 52.54%) 356. (0.00000) RY (42) C 5 s( 7.15%)p 0.15( 1.05%)d 2.33( 16.69%) f 6.21( 44.41%)g 4.29( 30.71%) 357. (0.00000) RY (43) C 5 s( 2.96%)p 1.38( 4.09%)d 8.63( 25.53%) f11.67( 34.51%)g11.13( 32.91%) 358. (0.00000) RY (44) C 5 s( 6.56%)p 1.64( 10.75%)d 5.45( 35.77%) f 4.44( 29.14%)g 2.71( 17.78%) 359. (0.00000) RY (45) C 5 s( 5.48%)p 1.81( 9.91%)d 3.56( 19.48%) f 4.99( 27.34%)g 6.90( 37.80%) 360. (0.00000) RY (46) C 5 s( 9.42%)p 0.05( 0.44%)d 1.47( 13.80%) f 3.29( 31.01%)g 4.81( 45.33%) 361. (0.00000) RY (47) C 5 s( 10.65%)p 0.16( 1.73%)d 4.31( 45.88%) f 1.71( 18.26%)g 2.20( 23.48%) 362. (0.00000) RY (48) C 5 s( 8.30%)p 0.58( 4.84%)d 5.13( 42.60%) f 1.57( 13.04%)g 3.76( 31.22%) 363. (0.00000) RY (49) C 5 s( 4.00%)p 0.15( 0.60%)d 4.33( 17.33%) f10.91( 43.67%)g 8.60( 34.40%) 364. (0.00000) RY (50) C 5 s( 54.69%)p 0.13( 7.10%)d 0.32( 17.73%) f 0.21( 11.76%)g 0.16( 8.73%) 365. (0.00000) RY (51) C 5 s( 4.81%)p 0.59( 2.85%)d 1.99( 9.57%) f 4.44( 21.33%)g12.77( 61.44%) 366. (0.00000) RY (52) C 5 s( 3.62%)p 5.37( 19.42%)d 7.42( 26.86%) f 4.94( 17.86%)g 8.91( 32.24%) 367. (0.00372) RY ( 1) C 6 s( 0.12%)p99.99( 85.71%)d99.99( 12.66%) f12.37( 1.45%)g 0.62( 0.07%) 0.0000 0.0148 -0.0077 0.0244 0.0068 -0.0159 -0.0005 -0.0095 -0.5441 -0.0194 -0.0038 -0.0124 -0.6011 0.0054 -0.0074 0.0326 -0.4427 0.0432 0.0058 0.0735 -0.1142 0.0048 -0.0759 0.1129 -0.0018 -0.0300 0.1274 -0.0055 0.1195 -0.0886 0.0006 -0.1301 0.1826 0.0081 0.0024 0.0174 0.0712 -0.0006 0.0332 0.0181 0.0724 -0.0156 0.0238 0.0019 -0.0345 0.0110 -0.0159 0.0069 0.0035 0.0233 0.0019 0.0040 -0.0028 -0.0012 -0.0101 0.0015 -0.0058 368. (0.00313) RY ( 2) C 6 s( 0.46%)p99.99( 85.91%)d22.73( 10.55%) f 6.45( 2.99%)g 0.16( 0.08%) 0.0000 0.0102 0.0340 0.0573 0.0071 -0.0065 -0.0002 0.0410 0.6089 0.0705 0.0290 0.0024 0.0809 0.0025 0.0143 -0.0002 -0.6854 0.0658 0.0032 0.0619 -0.0071 0.0068 -0.0532 0.1392 0.0182 -0.1305 0.0875 -0.0005 0.1523 -0.1462 0.0176 0.0385 0.0893 0.0067 0.1167 -0.0084 -0.0236 0.0149 -0.0361 0.0201 -0.0281 0.0069 -0.0602 0.0208 0.0431 -0.0105 0.0790 -0.0254 0.0144 0.0170 -0.0021 -0.0093 -0.0078 0.0055 -0.0076 -0.0002 0.0043 369. (0.00192) RY ( 3) C 6 s( 23.47%)p 2.06( 48.38%)d 1.10( 25.85%) f 0.10( 2.25%)g 0.00( 0.05%) 0.0000 0.0028 0.4841 0.0061 0.0156 0.0100 -0.0010 -0.0009 -0.3939 -0.0491 -0.0222 -0.0209 0.5541 -0.0193 0.0092 0.0070 -0.0800 0.1062 -0.0070 0.1456 -0.0754 -0.0027 -0.0131 0.0835 -0.0102 -0.0548 -0.0204 0.0103 0.3590 -0.2251 0.0294 0.1959 0.0418 0.0183 -0.0077 0.0042 0.0698 -0.0133 -0.1070 0.0100 0.0375 -0.0094 0.0057 -0.0019 -0.0477 0.0104 -0.0410 0.0152 -0.0125 0.0029 -0.0018 -0.0071 0.0043 -0.0092 -0.0053 0.0090 0.0103 370. (0.00088) RY ( 4) C 6 s( 6.18%)p 2.54( 15.71%)d11.61( 71.74%) f 0.96( 5.91%)g 0.07( 0.46%) 0.0000 0.0115 0.2059 -0.1376 0.0083 -0.0157 0.0012 0.0191 0.0653 -0.3202 -0.0572 -0.0279 -0.1266 0.1621 -0.0162 0.0163 0.0266 0.0340 0.0352 0.2460 0.3523 0.0286 -0.3600 0.1059 -0.0774 0.3074 -0.2173 0.0338 -0.2833 -0.4015 -0.0237 -0.0150 -0.0090 0.0024 0.0321 0.0025 -0.0108 -0.0096 0.0191 -0.0254 -0.1696 -0.0272 0.0603 0.0356 0.1258 -0.0816 -0.0027 0.0017 -0.0136 -0.0067 0.0234 -0.0501 0.0190 -0.0015 0.0062 0.0282 0.0099 371. (0.00081) RY ( 5) C 6 s( 21.33%)p 1.24( 26.46%)d 2.19( 46.75%) f 0.23( 5.00%)g 0.02( 0.45%) 0.0000 -0.0059 0.4252 -0.1802 -0.0050 -0.0032 0.0007 0.0055 0.1847 0.1178 0.0789 -0.0123 -0.1919 0.3206 0.0544 0.0024 0.1096 -0.2282 -0.0598 0.1220 -0.4885 0.0373 0.0109 -0.0050 0.0297 0.3217 0.2129 0.0642 0.1178 0.1212 0.0151 -0.0273 -0.1646 -0.0452 0.0135 -0.0461 0.0176 -0.0019 0.0940 0.0390 -0.0228 0.0256 -0.0772 -0.0420 0.1537 -0.0301 -0.0581 0.0155 -0.0127 -0.0190 0.0462 -0.0291 -0.0091 -0.0088 -0.0285 0.0031 0.0069 372. (0.00047) RY ( 6) C 6 s( 11.82%)p 1.28( 15.17%)d 4.81( 56.81%) f 1.31( 15.53%)g 0.06( 0.67%) 0.0000 -0.0134 0.3389 0.0403 -0.0010 -0.0382 -0.0007 -0.0067 -0.0297 -0.0071 0.0981 0.0021 -0.2934 -0.0689 -0.0194 -0.0132 -0.0068 0.2154 0.0576 -0.0467 0.1616 0.0239 0.2925 0.0492 0.0023 -0.1613 -0.1227 -0.0094 -0.1545 0.2272 0.0040 0.5644 -0.1237 -0.0269 0.3067 -0.0666 -0.0133 0.0316 0.0623 -0.0529 -0.1493 0.0549 -0.1066 0.0331 0.0661 -0.0056 0.0761 -0.0313 0.0510 -0.0324 -0.0226 0.0021 -0.0111 0.0430 0.0246 -0.0013 0.0010 373. (0.00041) RY ( 7) C 6 s( 3.14%)p 4.34( 13.64%)d 5.64( 17.73%) f20.15( 63.34%)g 0.68( 2.15%) 0.0000 -0.0040 0.1750 -0.0200 -0.0053 -0.0186 0.0004 0.0124 0.2150 -0.0460 -0.1982 0.0001 -0.1410 0.0243 -0.0766 -0.0083 -0.0756 0.0548 0.1163 0.0063 -0.0249 -0.0451 0.1793 -0.2844 -0.0829 0.0277 -0.1167 0.0042 -0.0450 0.0098 0.0155 0.1639 0.1006 0.0299 -0.2969 0.1035 0.3792 -0.1118 -0.0115 -0.0094 0.1267 -0.0613 0.4612 -0.1304 -0.2593 0.0872 -0.2204 0.0706 -0.0831 0.0261 -0.0349 0.0414 0.0963 -0.0288 0.0169 -0.0161 -0.0185 374. (0.00020) RY ( 8) C 6 s( 7.45%)p 2.87( 21.38%)d 7.87( 58.58%) f 1.59( 11.81%)g 0.10( 0.78%) 0.0000 -0.0028 0.2524 0.0642 -0.0804 0.0122 0.0038 -0.0065 0.1004 -0.0659 -0.0923 0.0309 -0.1836 -0.0818 -0.0111 -0.0033 0.2207 -0.3147 -0.0402 -0.1639 0.0526 0.0204 0.0295 -0.0175 -0.0205 -0.5614 0.2834 -0.0476 -0.0366 -0.3830 -0.0204 -0.0882 0.0100 -0.0063 -0.0863 -0.0055 -0.0254 -0.0209 -0.1176 0.0148 -0.1862 0.0023 -0.1300 0.0237 -0.0353 -0.0539 -0.1920 0.0482 0.0034 0.0227 0.0563 -0.0371 0.0474 -0.0037 -0.0036 0.0043 -0.0211 375. (0.00017) RY ( 9) C 6 s( 0.86%)p12.77( 11.01%)d70.34( 60.66%) f31.31( 27.01%)g 0.53( 0.46%) 0.0000 0.0027 0.0911 0.0162 -0.0072 -0.0006 -0.0009 0.0072 -0.0603 0.1680 -0.1392 0.0018 0.1063 -0.1285 -0.1092 0.0054 -0.0525 -0.1272 -0.0098 0.4543 -0.1420 0.0249 -0.1789 0.0998 -0.0334 -0.2892 0.0137 -0.0394 -0.4052 0.2799 -0.0787 -0.0039 0.0477 -0.0048 -0.2789 0.0764 0.1906 -0.0650 -0.0164 -0.0309 -0.0721 0.0305 -0.0328 -0.0044 0.1643 -0.0328 0.3231 -0.0703 -0.0398 0.0115 -0.0085 0.0399 0.0040 -0.0048 0.0262 0.0213 0.0001 376. (0.00009) RY (10) C 6 s( 2.62%)p16.49( 43.23%)d17.19( 45.06%) f 3.30( 8.65%)g 0.17( 0.45%) 377. (0.00007) RY (11) C 6 s( 3.72%)p10.00( 37.20%)d 8.14( 30.28%) f 6.79( 25.26%)g 0.95( 3.54%) 378. (0.00005) RY (12) C 6 s( 7.91%)p 3.36( 26.57%)d 3.45( 27.33%) f 4.25( 33.65%)g 0.57( 4.54%) 379. (0.00004) RY (13) C 6 s( 10.88%)p 1.70( 18.51%)d 5.19( 56.50%) f 1.12( 12.20%)g 0.17( 1.90%) 380. (0.00002) RY (14) C 6 s( 3.80%)p 8.79( 33.36%)d 6.50( 24.69%) f 9.08( 34.46%)g 0.97( 3.69%) 381. (0.00002) RY (15) C 6 s( 1.80%)p20.25( 36.45%)d20.82( 37.48%) f12.39( 22.30%)g 1.09( 1.96%) 382. (0.00002) RY (16) C 6 s( 4.64%)p 4.35( 20.16%)d 9.86( 45.73%) f 5.67( 26.29%)g 0.69( 3.19%) 383. (0.00001) RY (17) C 6 s( 3.73%)p 4.93( 18.39%)d 8.25( 30.78%) f 8.37( 31.23%)g 4.25( 15.87%) 384. (0.00001) RY (18) C 6 s( 8.65%)p 1.05( 9.06%)d 4.64( 40.16%) f 4.35( 37.64%)g 0.52( 4.48%) 385. (0.00001) RY (19) C 6 s( 1.98%)p 9.44( 18.65%)d20.39( 40.29%) f19.31( 38.16%)g 0.46( 0.92%) 386. (0.00001) RY (20) C 6 s( 0.85%)p60.54( 51.34%)d21.22( 18.00%) f32.25( 27.35%)g 2.90( 2.46%) 387. (0.00001) RY (21) C 6 s( 33.57%)p 0.20( 6.81%)d 0.53( 17.88%) f 1.13( 38.01%)g 0.11( 3.73%) 388. (0.00000) RY (22) C 6 s( 9.49%)p 0.12( 1.16%)d 2.14( 20.29%) f 2.44( 23.13%)g 4.84( 45.92%) 389. (0.00000) RY (23) C 6 s( 18.68%)p 0.35( 6.47%)d 1.02( 19.01%) f 1.46( 27.30%)g 1.53( 28.54%) 390. (0.00000) RY (24) C 6 s( 4.38%)p 2.02( 8.83%)d 4.64( 20.33%) f 8.69( 38.06%)g 6.48( 28.39%) 391. (0.00000) RY (25) C 6 s( 4.75%)p 3.50( 16.61%)d 6.51( 30.91%) f 7.08( 33.63%)g 2.97( 14.10%) 392. (0.00000) RY (26) C 6 s( 2.30%)p 8.92( 20.52%)d14.44( 33.23%) f14.09( 32.42%)g 5.02( 11.54%) 393. (0.00000) RY (27) C 6 s( 4.17%)p 5.86( 24.45%)d10.48( 43.75%) f 4.65( 19.41%)g 1.97( 8.23%) 394. (0.00000) RY (28) C 6 s( 5.23%)p 6.45( 33.74%)d 4.96( 25.97%) f 3.35( 17.51%)g 3.35( 17.55%) 395. (0.00000) RY (29) C 6 s( 11.12%)p 2.22( 24.65%)d 3.81( 42.35%) f 1.59( 17.72%)g 0.37( 4.17%) 396. (0.00000) RY (30) C 6 s( 19.00%)p 0.44( 8.33%)d 1.75( 33.28%) f 1.89( 35.85%)g 0.19( 3.53%) 397. (0.00000) RY (31) C 6 s( 4.88%)p 1.01( 4.94%)d 5.83( 28.43%) f10.79( 52.63%)g 1.87( 9.12%) 398. (0.00000) RY (32) C 6 s( 12.70%)p 1.34( 16.97%)d 2.71( 34.37%) f 2.35( 29.91%)g 0.48( 6.05%) 399. (0.00000) RY (33) C 6 s( 9.16%)p 2.88( 26.42%)d 3.09( 28.34%) f 3.27( 30.01%)g 0.66( 6.07%) 400. (0.00000) RY (34) C 6 s( 12.63%)p 1.16( 14.62%)d 3.27( 41.30%) f 2.09( 26.41%)g 0.40( 5.04%) 401. (0.00000) RY (35) C 6 s( 81.58%)p 0.01( 0.45%)d 0.09( 7.41%) f 0.04( 3.48%)g 0.09( 7.08%) 402. (0.00000) RY (36) C 6 s( 4.07%)p 0.42( 1.69%)d 1.02( 4.14%) f 7.48( 30.44%)g14.66( 59.65%) 403. (0.00000) RY (37) C 6 s( 3.19%)p 0.37( 1.19%)d 4.64( 14.78%) f13.21( 42.11%)g12.15( 38.73%) 404. (0.00000) RY (38) C 6 s( 12.21%)p 0.19( 2.27%)d 0.84( 10.28%) f 2.29( 27.96%)g 3.87( 47.28%) 405. (0.00000) RY (39) C 6 s( 2.83%)p 0.59( 1.65%)d 4.92( 13.91%) f18.07( 51.06%)g10.81( 30.55%) 406. (0.00000) RY (40) C 6 s( 2.05%)p 1.06( 2.18%)d 7.20( 14.73%) f21.60( 44.19%)g18.02( 36.86%) 407. (0.00000) RY (41) C 6 s( 3.04%)p 0.50( 1.53%)d 5.57( 16.92%) f15.60( 47.43%)g10.22( 31.08%) 408. (0.00000) RY (42) C 6 s( 1.15%)p 0.80( 0.92%)d 5.42( 6.24%) f46.88( 53.97%)g32.76( 37.71%) 409. (0.00000) RY (43) C 6 s( 9.70%)p 0.21( 2.01%)d 1.18( 11.49%) f 5.11( 49.53%)g 2.81( 27.27%) 410. (0.00000) RY (44) C 6 s( 4.66%)p 0.29( 1.33%)d 3.53( 16.43%) f 4.27( 19.92%)g12.37( 57.66%) 411. (0.00000) RY (45) C 6 s( 1.51%)p 4.18( 6.30%)d38.78( 58.53%) f 6.09( 9.19%)g16.21( 24.47%) 412. (0.00000) RY (46) C 6 s( 7.14%)p 0.73( 5.20%)d 2.59( 18.46%) f 1.67( 11.90%)g 8.03( 57.30%) 413. (0.00000) RY (47) C 6 s( 7.04%)p 0.39( 2.76%)d 1.67( 11.75%) f 5.28( 37.15%)g 5.87( 41.30%) 414. (0.00000) RY (48) C 6 s( 8.67%)p 0.67( 5.82%)d 2.50( 21.68%) f 1.90( 16.46%)g 5.46( 47.37%) 415. (0.00000) RY (49) C 6 s( 8.90%)p 0.06( 0.50%)d 5.32( 47.36%) f 2.03( 18.06%)g 2.83( 25.18%) 416. (0.00000) RY (50) C 6 s( 14.08%)p 0.80( 11.30%)d 0.71( 10.01%) f 1.63( 22.88%)g 2.96( 41.72%) 417. (0.00000) RY (51) C 6 s( 28.75%)p 0.04( 1.20%)d 0.62( 17.73%) f 0.95( 27.20%)g 0.87( 25.13%) 418. (0.00000) RY (52) C 6 s( 22.21%)p 0.07( 1.59%)d 0.92( 20.38%) f 1.46( 32.36%)g 1.06( 23.45%) 419. (0.00435) RY ( 1) C 7 s( 7.76%)p 9.30( 72.18%)d 2.39( 18.55%) f 0.17( 1.30%)g 0.03( 0.21%) 0.0000 -0.0073 0.2611 -0.0953 -0.0073 0.0159 0.0002 0.0259 -0.8041 0.0137 0.0012 0.0015 0.0575 -0.1506 -0.0237 -0.0095 -0.2130 -0.0409 -0.0266 -0.0750 0.1248 0.0291 0.0367 -0.1026 0.0099 -0.0389 -0.0753 -0.0061 0.1990 -0.1015 0.0282 -0.1917 0.2380 0.0114 -0.0667 0.0155 0.0250 -0.0353 0.0416 -0.0012 0.0253 0.0207 0.0145 -0.0005 -0.0261 0.0017 -0.0496 -0.0178 -0.0157 0.0201 -0.0087 0.0005 -0.0228 0.0138 0.0143 0.0217 -0.0043 420. (0.00364) RY ( 2) C 7 s( 1.14%)p80.57( 91.53%)d 3.77( 4.28%) f 2.65( 3.01%)g 0.03( 0.04%) 0.0000 0.0062 0.1060 0.0077 0.0035 -0.0036 -0.0002 -0.0025 0.1981 -0.0097 0.0018 0.0063 -0.2942 0.0043 -0.0150 -0.0469 -0.8858 -0.0206 -0.0434 -0.0679 0.0169 -0.0002 -0.0867 0.0646 0.0151 0.0834 -0.0344 -0.0102 -0.0076 0.0284 0.0093 0.0786 -0.1029 0.0079 -0.1357 0.0386 0.0082 0.0043 -0.0896 0.0213 0.0304 -0.0054 0.0009 -0.0055 0.0216 -0.0076 0.0097 0.0035 0.0129 0.0109 -0.0035 -0.0013 0.0086 -0.0032 0.0025 0.0007 0.0004 421. (0.00317) RY ( 3) C 7 s( 39.70%)p 0.60( 24.01%)d 0.88( 34.85%) f 0.03( 1.31%)g 0.00( 0.13%) 0.0000 0.0162 0.6294 -0.0234 0.0095 -0.0028 -0.0009 0.0096 0.1211 -0.1489 -0.0024 0.0514 -0.3373 -0.0697 -0.0147 -0.0029 0.2805 -0.0538 -0.0074 -0.2602 0.0396 0.0022 0.1429 -0.1346 0.0107 0.1514 -0.2579 0.0067 0.1963 0.0086 0.0438 0.2665 -0.1986 0.0129 0.0357 -0.0027 0.0471 -0.0163 0.0190 -0.0094 0.0203 0.0178 0.0535 -0.0002 0.0662 -0.0294 0.0071 0.0026 0.0116 0.0072 0.0130 -0.0178 -0.0093 0.0022 0.0069 0.0218 0.0048 422. (0.00139) RY ( 4) C 7 s( 0.73%)p51.12( 37.11%)d80.20( 58.23%) f 5.19( 3.77%)g 0.23( 0.16%) 0.0000 -0.0032 0.0572 0.0619 0.0084 0.0084 -0.0001 -0.0017 -0.2739 0.0540 0.0113 -0.0203 -0.3975 0.2260 0.0324 0.0043 0.1329 0.2428 0.0766 -0.1659 0.0240 -0.0264 -0.1571 0.3934 -0.0468 0.0662 0.5290 0.0361 -0.0593 -0.1908 -0.0297 0.0139 -0.2114 -0.0242 0.0321 -0.0034 -0.0475 0.0315 -0.0924 0.0005 -0.0578 -0.0595 -0.0745 -0.0334 0.0739 0.0274 -0.0710 -0.0090 0.0142 -0.0127 -0.0007 0.0312 0.0000 0.0020 -0.0149 -0.0004 0.0085 423. (0.00074) RY ( 5) C 7 s( 16.73%)p 2.87( 48.01%)d 1.72( 28.75%) f 0.37( 6.24%)g 0.02( 0.27%) 0.0000 -0.0055 0.3668 -0.1796 -0.0109 -0.0182 0.0013 0.0021 0.2075 -0.0180 0.0116 0.0119 0.5556 -0.2259 -0.0133 -0.0008 -0.0791 0.2613 0.0451 0.0778 0.2044 0.0200 -0.1566 0.1697 -0.0429 0.0182 0.2987 0.0361 0.2047 -0.0168 0.0353 -0.0453 -0.2176 0.0194 -0.0307 0.0184 0.1678 -0.0109 0.0891 -0.0522 -0.1236 0.0019 -0.0007 -0.0343 -0.0658 -0.0164 0.0204 -0.0273 0.0161 -0.0022 -0.0159 -0.0214 -0.0089 0.0125 -0.0234 0.0252 -0.0174 424. (0.00057) RY ( 6) C 7 s( 9.21%)p 7.68( 70.77%)d 1.79( 16.52%) f 0.34( 3.15%)g 0.04( 0.34%) 0.0000 0.0030 0.2786 -0.1188 -0.0181 0.0066 0.0012 -0.0131 0.0144 0.8247 0.0437 0.0071 -0.0957 0.1000 -0.0701 -0.0048 0.0239 -0.0038 0.0224 0.1667 0.0230 -0.0081 -0.0958 -0.1596 0.0095 -0.0942 0.0004 -0.0174 -0.1999 0.2211 -0.0618 0.0069 -0.0131 0.0048 0.0656 -0.0165 -0.0318 0.0215 0.0800 -0.0137 -0.0019 0.0025 -0.0060 -0.0071 -0.1017 0.0043 -0.0880 0.0265 0.0223 -0.0219 0.0028 -0.0288 0.0158 -0.0035 -0.0079 -0.0135 -0.0333 425. (0.00043) RY ( 7) C 7 s( 0.18%)p60.09( 10.89%)d99.99( 18.22%) f99.99( 68.86%)g10.26( 1.86%) 0.0000 0.0024 0.0360 -0.0224 -0.0018 0.0032 0.0004 -0.0013 0.0027 0.0879 -0.0062 0.0075 0.0418 0.0038 -0.0717 0.0085 0.1965 0.0212 -0.2345 0.0567 0.0936 0.0226 -0.1348 0.2851 0.1079 0.1418 -0.1636 -0.0017 -0.0241 0.0875 -0.0058 -0.0401 0.0426 0.0024 -0.6233 0.2046 0.0199 0.0016 -0.2280 0.0869 0.3932 -0.1091 -0.1282 0.0439 0.0072 -0.0179 0.1115 -0.0240 0.0336 0.0917 -0.0366 -0.0095 0.0320 -0.0510 0.0550 -0.0225 -0.0213 426. (0.00033) RY ( 8) C 7 s( 6.13%)p 1.77( 10.84%)d12.31( 75.43%) f 1.14( 7.00%)g 0.10( 0.61%) 0.0000 -0.0169 0.2359 0.0441 -0.0134 -0.0563 -0.0015 0.0029 0.2604 0.0916 0.0175 -0.0215 0.1221 0.1132 0.0435 0.0054 -0.0116 -0.0258 -0.0303 -0.5297 -0.2424 0.0440 0.1031 0.0590 0.0070 -0.2174 0.0578 0.0017 -0.1202 -0.1565 -0.0166 -0.4755 0.2873 0.0198 0.0591 -0.0084 0.1044 -0.0522 -0.1652 0.0445 0.1017 -0.0192 0.0472 0.0034 0.0717 0.0646 0.0238 -0.0264 -0.0454 0.0067 -0.0262 0.0394 0.0008 -0.0002 0.0123 -0.0396 -0.0033 427. (0.00023) RY ( 9) C 7 s( 5.20%)p 5.27( 27.42%)d11.19( 58.24%) f 1.74( 9.07%)g 0.01( 0.07%) 0.0000 -0.0115 -0.1513 0.1621 -0.0400 0.0337 -0.0023 -0.0134 -0.1105 0.0240 0.0232 -0.0542 0.1064 -0.4438 -0.0720 0.0113 -0.0050 0.2090 0.0214 -0.4130 0.2278 0.0021 0.0330 -0.0732 0.0020 -0.0356 -0.0915 -0.0021 -0.4961 0.1698 0.0040 0.0705 -0.2525 -0.0080 -0.0115 0.0351 -0.0345 -0.0403 -0.0082 -0.0290 0.0668 0.0115 0.0649 -0.0433 0.1529 -0.0410 -0.2233 0.0019 0.0074 -0.0031 0.0046 -0.0031 -0.0010 -0.0013 0.0121 0.0131 -0.0169 428. (0.00016) RY (10) C 7 s( 0.83%)p32.98( 27.25%)d74.55( 61.59%) f11.87( 9.80%)g 0.65( 0.54%) 0.0000 0.0025 0.0861 -0.0217 -0.0179 -0.0066 0.0013 -0.0032 -0.0038 0.0258 -0.0169 -0.0035 0.0002 -0.1729 0.0563 0.0037 0.0055 -0.4210 0.2472 0.1673 0.0442 -0.0115 0.4524 0.1955 -0.0249 0.4305 0.1559 0.0970 -0.2270 0.0426 -0.0418 -0.2478 -0.0762 -0.0294 -0.0871 -0.0091 -0.0457 0.0386 -0.1380 0.0091 -0.0952 0.0093 0.1990 -0.0713 -0.1149 0.0253 0.0037 0.0018 0.0046 -0.0433 0.0066 0.0004 0.0026 0.0237 -0.0513 0.0132 -0.0063 429. (0.00011) RY (11) C 7 s( 2.15%)p10.00( 21.49%)d29.03( 62.36%) f 5.81( 12.48%)g 0.71( 1.53%) 0.0000 0.0065 0.1202 -0.0727 -0.0362 -0.0199 0.0036 -0.0119 -0.0421 -0.0692 0.0723 -0.0026 -0.0798 -0.2830 -0.0193 0.0241 -0.0184 -0.2339 -0.2459 0.2059 -0.1856 0.0110 0.3001 0.3093 -0.0068 -0.5295 0.1469 -0.1078 -0.1126 0.0516 0.0324 0.1429 -0.0904 0.0483 0.0623 -0.0453 0.0574 -0.0279 0.0585 -0.0123 0.0824 0.0071 -0.2632 0.1519 0.1036 -0.0349 -0.0038 -0.0062 0.0521 0.0598 0.0399 -0.0210 0.0484 0.0208 -0.0580 0.0276 0.0063 430. (0.00010) RY (12) C 7 s( 0.87%)p34.23( 29.79%)d60.79( 52.89%) f15.13( 13.17%)g 3.77( 3.28%) 431. (0.00007) RY (13) C 7 s( 14.55%)p 0.86( 12.45%)d 1.55( 22.58%) f 3.37( 48.95%)g 0.10( 1.48%) 432. (0.00005) RY (14) C 7 s( 25.96%)p 1.44( 37.32%)d 1.01( 26.32%) f 0.33( 8.62%)g 0.07( 1.77%) 433. (0.00003) RY (15) C 7 s( 21.08%)p 0.54( 11.28%)d 1.53( 32.27%) f 1.42( 29.85%)g 0.26( 5.53%) 434. (0.00002) RY (16) C 7 s( 4.79%)p 1.85( 8.87%)d 7.14( 34.20%) f10.55( 50.54%)g 0.33( 1.60%) 435. (0.00002) RY (17) C 7 s( 11.87%)p 0.63( 7.52%)d 2.59( 30.78%) f 3.91( 46.39%)g 0.29( 3.44%) 436. (0.00001) RY (18) C 7 s( 15.26%)p 0.19( 2.92%)d 3.50( 53.40%) f 1.58( 24.16%)g 0.28( 4.26%) 437. (0.00001) RY (19) C 7 s( 1.66%)p13.98( 23.20%)d22.80( 37.84%) f17.86( 29.63%)g 4.62( 7.67%) 438. (0.00001) RY (20) C 7 s( 17.43%)p 0.98( 17.15%)d 0.94( 16.40%) f 2.57( 44.77%)g 0.24( 4.26%) 439. (0.00001) RY (21) C 7 s( 3.39%)p 2.60( 8.81%)d11.59( 39.32%) f11.16( 37.86%)g 3.13( 10.62%) 440. (0.00000) RY (22) C 7 s( 3.62%)p 2.83( 10.25%)d11.77( 42.59%) f11.41( 41.30%)g 0.62( 2.23%) 441. (0.00000) RY (23) C 7 s( 1.19%)p22.78( 27.08%)d20.19( 24.00%) f38.49( 45.74%)g 1.68( 2.00%) 442. (0.00001) RY (24) C 7 s( 3.25%)p 7.25( 23.56%)d11.62( 37.74%) f10.09( 32.78%)g 0.82( 2.67%) 443. (0.00000) RY (25) C 7 s( 11.38%)p 1.39( 15.83%)d 1.65( 18.74%) f 1.33( 15.20%)g 3.41( 38.84%) 444. (0.00000) RY (26) C 7 s( 2.25%)p 1.66( 3.74%)d 8.59( 19.35%) f17.84( 40.18%)g15.31( 34.48%) 445. (0.00000) RY (27) C 7 s( 30.67%)p 0.08( 2.59%)d 1.07( 32.71%) f 0.31( 9.64%)g 0.80( 24.39%) 446. (0.00000) RY (28) C 7 s( 0.46%)p58.56( 26.92%)d53.29( 24.50%) f47.44( 21.81%)g57.22( 26.31%) 447. (0.00000) RY (29) C 7 s( 17.55%)p 1.93( 33.81%)d 1.24( 21.69%) f 1.05( 18.50%)g 0.48( 8.46%) 448. (0.00000) RY (30) C 7 s( 3.79%)p 2.98( 11.28%)d14.46( 54.80%) f 3.88( 14.72%)g 4.07( 15.41%) 449. (0.00000) RY (31) C 7 s( 0.28%)p90.17( 25.35%)d87.46( 24.59%) f99.99( 34.07%)g55.86( 15.71%) 450. (0.00000) RY (32) C 7 s( 2.67%)p 8.59( 22.94%)d16.41( 43.82%) f10.65( 28.42%)g 0.80( 2.15%) 451. (0.00000) RY (33) C 7 s( 1.76%)p 4.94( 8.68%)d16.07( 28.26%) f26.21( 46.10%)g 8.65( 15.21%) 452. (0.00000) RY (34) C 7 s( 23.03%)p 0.01( 0.25%)d 0.39( 9.09%) f 1.96( 45.11%)g 0.98( 22.52%) 453. (0.00000) RY (35) C 7 s( 17.37%)p 0.02( 0.38%)d 1.39( 24.12%) f 2.43( 42.26%)g 0.91( 15.88%) 454. (0.00000) RY (36) C 7 s( 19.21%)p 0.01( 0.15%)d 0.69( 13.32%) f 2.00( 38.45%)g 1.50( 28.87%) 455. (0.00000) RY (37) C 7 s( 14.84%)p 0.06( 0.86%)d 0.79( 11.79%) f 3.62( 53.76%)g 1.26( 18.75%) 456. (0.00000) RY (38) C 7 s( 18.98%)p 0.01( 0.28%)d 0.81( 15.32%) f 2.13( 40.41%)g 1.32( 25.01%) 457. (0.00000) RY (39) C 7 s( 1.36%)p 1.08( 1.47%)d12.74( 17.32%) f16.14( 21.94%)g42.60( 57.91%) 458. (0.00000) RY (40) C 7 s( 4.95%)p 0.21( 1.05%)d 4.21( 20.84%) f10.74( 53.18%)g 4.04( 19.98%) 459. (0.00000) RY (41) C 7 s( 15.46%)p 0.06( 0.85%)d 0.95( 14.76%) f 2.40( 37.03%)g 2.06( 31.90%) 460. (0.00000) RY (42) C 7 s( 4.83%)p 0.19( 0.94%)d 6.23( 30.09%) f 4.22( 20.39%)g 9.05( 43.75%) 461. (0.00000) RY (43) C 7 s( 2.11%)p 2.26( 4.76%)d 8.41( 17.71%) f18.43( 38.82%)g17.38( 36.61%) 462. (0.00000) RY (44) C 7 s( 3.11%)p 1.20( 3.72%)d 5.51( 17.13%) f14.82( 46.08%)g 9.63( 29.95%) 463. (0.00000) RY (45) C 7 s( 11.79%)p 0.52( 6.14%)d 2.55( 30.11%) f 1.49( 17.55%)g 2.92( 34.41%) 464. (0.00000) RY (46) C 7 s( 4.91%)p 0.78( 3.82%)d 4.10( 20.10%) f 6.63( 32.55%)g 7.87( 38.62%) 465. (0.00000) RY (47) C 7 s( 15.25%)p 0.16( 2.38%)d 0.74( 11.23%) f 0.63( 9.66%)g 4.03( 61.47%) 466. (0.00000) RY (48) C 7 s( 24.90%)p 0.15( 3.80%)d 0.50( 12.38%) f 0.69( 17.10%)g 1.68( 41.83%) 467. (0.00000) RY (49) C 7 s( 20.33%)p 0.18( 3.73%)d 0.20( 4.13%) f 0.89( 18.09%)g 2.64( 53.72%) 468. (0.00000) RY (50) C 7 s( 3.08%)p 0.93( 2.87%)d 7.01( 21.59%) f 3.42( 10.52%)g20.11( 61.94%) 469. (0.00000) RY (51) C 7 s( 6.88%)p 0.76( 5.23%)d 4.36( 29.99%) f 3.66( 25.21%)g 4.75( 32.69%) 470. (0.00000) RY (52) C 7 s( 2.33%)p19.59( 45.61%)d 9.54( 22.21%) f 9.98( 23.25%)g 2.84( 6.61%) 471. (0.00374) RY ( 1) C 8 s( 0.71%)p99.99( 82.13%)d21.68( 15.46%) f 2.24( 1.60%)g 0.13( 0.10%) 0.0000 0.0158 0.0712 0.0400 -0.0020 -0.0143 -0.0010 -0.0204 -0.2238 -0.0356 -0.0063 0.0311 0.0341 0.0367 0.0095 0.0111 -0.8736 0.0505 -0.0006 -0.0815 0.1076 -0.0115 0.1750 -0.2255 0.0030 0.0358 0.1259 0.0137 0.0969 -0.0872 0.0015 -0.0528 0.1330 -0.0005 0.0440 0.0026 0.0324 -0.0201 0.0436 0.0166 -0.0843 0.0186 0.0226 -0.0105 -0.0304 0.0071 0.0361 -0.0100 -0.0014 -0.0181 0.0098 -0.0167 0.0024 -0.0019 -0.0154 0.0013 -0.0021 472. (0.00315) RY ( 2) C 8 s( 1.21%)p74.68( 90.57%)d 4.83( 5.86%) f 1.91( 2.32%)g 0.03( 0.04%) 0.0000 0.0086 0.1045 0.0318 -0.0029 -0.0107 -0.0005 0.0396 0.8733 0.0546 0.0210 0.0090 -0.3321 0.0074 0.0040 0.0195 -0.1403 0.0845 0.0210 -0.0776 0.0488 0.0033 0.0655 -0.0896 0.0169 0.0319 0.0322 0.0124 0.0449 -0.1078 0.0073 -0.0606 0.1339 0.0094 -0.0683 0.0247 -0.0260 -0.0066 0.0528 0.0029 0.0376 -0.0168 -0.0693 0.0071 0.0422 -0.0088 -0.0732 0.0248 -0.0096 -0.0089 0.0014 0.0006 -0.0068 0.0061 -0.0078 0.0073 0.0063 473. (0.00169) RY ( 3) C 8 s( 25.70%)p 1.98( 50.78%)d 0.86( 22.01%) f 0.06( 1.47%)g 0.00( 0.04%) 0.0000 -0.0033 0.5067 0.0096 -0.0094 0.0073 -0.0007 0.0060 -0.3233 0.0650 -0.0049 0.0088 -0.5864 0.0727 -0.0141 -0.0066 0.2154 0.0563 -0.0046 -0.1859 0.1069 -0.0062 0.1566 -0.0416 -0.0007 0.3340 -0.0073 0.0150 0.1097 -0.1346 0.0214 0.0663 -0.0282 0.0088 -0.0612 -0.0034 0.0321 0.0083 0.0046 -0.0019 -0.0968 0.0130 0.0052 0.0065 0.0149 -0.0036 -0.0003 -0.0021 -0.0011 0.0007 0.0015 0.0020 0.0139 0.0094 -0.0044 -0.0067 -0.0047 474. (0.00088) RY ( 4) C 8 s( 13.00%)p 1.46( 18.95%)d 4.88( 63.41%) f 0.34( 4.43%)g 0.02( 0.21%) 0.0000 -0.0036 0.3516 -0.0793 0.0115 0.0003 0.0014 0.0073 0.1112 0.2500 0.0766 0.0146 0.2727 -0.1618 -0.0477 -0.0051 0.0313 0.0481 0.0485 0.1872 0.4360 0.0384 0.0364 -0.1344 0.0615 0.0940 0.1905 -0.0089 0.1534 0.5135 0.0218 0.0854 -0.2066 0.0377 0.0066 -0.0320 -0.0586 -0.0022 0.0769 0.0339 0.0790 0.0357 0.1347 0.0249 -0.0130 -0.0574 0.0531 0.0121 -0.0050 -0.0222 0.0003 0.0061 -0.0072 -0.0179 0.0176 -0.0264 -0.0125 475. (0.00066) RY ( 5) C 8 s( 20.36%)p 0.83( 16.87%)d 2.77( 56.32%) f 0.28( 5.69%)g 0.04( 0.77%) 0.0000 0.0067 0.4010 -0.2065 -0.0101 -0.0066 0.0005 0.0134 0.0208 -0.1992 -0.0522 0.0276 0.1962 -0.2878 -0.0009 0.0040 0.0290 -0.0231 -0.0467 -0.3006 0.0406 -0.0461 -0.2119 -0.1024 -0.0437 -0.4428 -0.1830 -0.0546 0.1684 -0.2805 0.0264 0.2574 0.0703 0.0199 0.0600 0.0277 -0.0968 -0.0149 0.0041 -0.0513 0.0354 -0.0116 0.0873 -0.0554 0.1600 -0.0451 0.0046 -0.0232 0.0394 -0.0665 0.0013 0.0401 0.0083 0.0017 0.0004 -0.0010 -0.0039 476. (0.00047) RY ( 6) C 8 s( 3.95%)p 4.19( 16.53%)d10.24( 40.42%) f 9.63( 38.03%)g 0.27( 1.06%) 0.0000 -0.0103 0.1948 -0.0057 0.0222 -0.0299 0.0006 0.0048 0.1969 -0.1599 -0.1218 -0.0112 0.1754 0.0217 0.1267 -0.0068 -0.0773 0.1786 -0.0282 0.0966 -0.3136 -0.0066 -0.0571 0.0780 -0.0565 0.3675 -0.0938 0.0055 -0.1462 -0.0374 0.0589 0.2244 -0.2465 -0.0521 0.4041 -0.1320 0.0672 -0.0085 0.0174 -0.0141 -0.3532 0.0801 0.2020 -0.0593 -0.0729 0.0507 0.0934 -0.0489 0.0718 0.0408 0.0178 -0.0229 0.0501 -0.0161 -0.0007 -0.0119 0.0040 477. (0.00045) RY ( 7) C 8 s( 3.35%)p 4.66( 15.60%)d11.67( 39.09%) f12.10( 40.53%)g 0.43( 1.44%) 0.0000 -0.0071 0.1780 -0.0101 0.0309 -0.0261 0.0006 -0.0122 -0.0313 -0.0825 0.2065 0.0008 0.2089 -0.0045 -0.0175 -0.0106 -0.1715 0.1549 0.0890 0.1197 -0.1052 0.0283 -0.1529 0.3861 0.0396 0.3482 -0.0950 -0.0355 -0.0474 -0.0964 0.0188 0.1986 0.0812 0.0339 -0.3789 0.1049 -0.2892 0.0897 0.1468 -0.0348 0.1902 -0.0757 -0.2544 0.0967 0.0874 -0.0189 -0.1066 0.0314 -0.0829 0.0088 -0.0238 0.0486 -0.0462 0.0190 0.0358 0.0012 0.0265 478. (0.00019) RY ( 8) C 8 s( 1.77%)p26.98( 47.82%)d17.56( 31.13%) f10.36( 18.36%)g 0.52( 0.92%) 0.0000 0.0046 0.0968 0.0152 0.0883 0.0173 0.0023 -0.0199 0.0075 0.3470 -0.0112 -0.0147 0.0243 -0.4269 -0.0816 0.0135 -0.0557 -0.4022 -0.0498 0.1513 -0.1189 0.0223 0.2446 -0.0676 -0.0089 0.0916 -0.1963 -0.0466 -0.3566 -0.0889 0.0220 -0.0288 0.1497 -0.0379 -0.0827 0.0137 -0.2269 0.0724 -0.2849 0.0008 -0.1433 0.0688 0.0927 -0.0220 0.0189 -0.0279 -0.0559 -0.0097 0.0578 -0.0238 0.0406 0.0145 -0.0527 -0.0001 -0.0118 -0.0091 0.0201 479. (0.00017) RY ( 9) C 8 s( 6.97%)p 2.54( 17.71%)d 8.53( 59.41%) f 2.12( 14.79%)g 0.16( 1.12%) 0.0000 -0.0019 0.1722 0.1989 0.0089 0.0193 0.0025 0.0051 0.0069 -0.2962 -0.1582 -0.0220 0.0980 0.1808 0.0053 -0.0009 0.0061 -0.1396 0.0442 -0.3350 0.2464 -0.0776 -0.0547 -0.0883 0.0266 0.0551 -0.1483 -0.0258 -0.5346 0.2265 -0.0635 -0.1870 0.0165 -0.0391 0.0566 -0.0066 -0.0791 0.0302 0.1332 -0.0498 0.0909 -0.0369 0.0013 -0.0436 -0.0714 -0.0084 -0.3089 0.0719 0.0036 0.0413 -0.0227 -0.0192 -0.0213 -0.0355 0.0789 -0.0061 0.0243 480. (0.00015) RY (10) C 8 s( 3.69%)p 8.99( 33.17%)d14.97( 55.27%) f 1.93( 7.12%)g 0.20( 0.75%) 0.0000 0.0012 0.1630 -0.0978 -0.0275 0.0023 0.0024 0.0073 0.0356 -0.0329 -0.0506 0.0045 0.1514 0.4643 -0.0697 -0.0033 0.0536 -0.2496 0.1349 0.2850 -0.0871 -0.0134 -0.0631 -0.3077 0.0629 0.0726 -0.3800 0.0727 0.3230 -0.0839 0.0037 -0.3070 0.0137 -0.0184 0.0033 0.0660 -0.2285 0.0229 -0.0176 -0.0160 -0.0385 -0.0126 -0.0153 -0.0373 -0.0309 -0.0032 0.0947 -0.0163 -0.0137 -0.0189 -0.0313 -0.0006 -0.0385 -0.0256 0.0472 0.0377 0.0128 481. (0.00006) RY (11) C 8 s( 6.28%)p 6.21( 38.97%)d 3.45( 21.66%) f 5.07( 31.82%)g 0.20( 1.26%) 482. (0.00005) RY (12) C 8 s( 18.93%)p 0.72( 13.67%)d 2.61( 49.48%) f 0.84( 15.99%)g 0.10( 1.92%) 483. (0.00004) RY (13) C 8 s( 2.12%)p 8.61( 18.27%)d12.54( 26.60%) f23.88( 50.65%)g 1.11( 2.36%) 484. (0.00003) RY (14) C 8 s( 3.45%)p 3.09( 10.66%)d 8.32( 28.68%) f12.89( 44.41%)g 3.71( 12.80%) 485. (0.00002) RY (15) C 8 s( 6.30%)p 4.15( 26.13%)d 5.31( 33.45%) f 4.86( 30.62%)g 0.55( 3.49%) 486. (0.00002) RY (16) C 8 s( 3.04%)p12.08( 36.71%)d12.45( 37.83%) f 7.14( 21.71%)g 0.23( 0.71%) 487. (0.00001) RY (17) C 8 s( 2.94%)p 8.17( 24.06%)d 5.94( 17.48%) f18.04( 53.09%)g 0.82( 2.42%) 488. (0.00001) RY (18) C 8 s( 10.81%)p 2.41( 26.09%)d 2.06( 22.27%) f 3.14( 33.97%)g 0.63( 6.86%) 489. (0.00001) RY (19) C 8 s( 8.48%)p 1.96( 16.63%)d 6.12( 51.93%) f 2.23( 18.92%)g 0.48( 4.04%) 490. (0.00001) RY (20) C 8 s( 20.23%)p 0.61( 12.31%)d 2.04( 41.25%) f 1.12( 22.74%)g 0.17( 3.46%) 491. (0.00001) RY (21) C 8 s( 2.92%)p 2.45( 7.15%)d12.03( 35.13%) f15.37( 44.89%)g 3.39( 9.90%) 492. (0.00001) RY (22) C 8 s( 6.93%)p 3.14( 21.73%)d 6.17( 42.74%) f 3.80( 26.36%)g 0.32( 2.24%) 493. (0.00000) RY (23) C 8 s( 10.36%)p 1.46( 15.17%)d 4.32( 44.77%) f 2.42( 25.09%)g 0.45( 4.61%) 494. (0.00000) RY (24) C 8 s( 13.49%)p 0.79( 10.67%)d 3.17( 42.72%) f 1.85( 25.02%)g 0.60( 8.10%) 495. (0.00000) RY (25) C 8 s( 4.96%)p 0.89( 4.41%)d 2.89( 14.32%) f 5.58( 27.69%)g 9.80( 48.62%) 496. (0.00000) RY (26) C 8 s( 3.47%)p 3.06( 10.64%)d 9.45( 32.82%) f 9.99( 34.69%)g 5.30( 18.39%) 497. (0.00000) RY (27) C 8 s( 4.34%)p 1.87( 8.13%)d 3.89( 16.89%) f 8.50( 36.87%)g 7.78( 33.77%) 498. (0.00000) RY (28) C 8 s( 7.30%)p 2.02( 14.73%)d 2.90( 21.16%) f 5.56( 40.58%)g 2.22( 16.23%) 499. (0.00000) RY (29) C 8 s( 2.13%)p10.51( 22.36%)d15.62( 33.22%) f14.13( 30.06%)g 5.75( 12.23%) 500. (0.00000) RY (30) C 8 s( 8.18%)p 2.62( 21.47%)d 4.48( 36.66%) f 2.49( 20.39%)g 1.63( 13.30%) 501. (0.00000) RY (31) C 8 s( 1.66%)p14.60( 24.27%)d24.33( 40.45%) f15.12( 25.13%)g 5.10( 8.48%) 502. (0.00000) RY (32) C 8 s( 4.60%)p 6.99( 32.13%)d 8.08( 37.17%) f 4.42( 20.32%)g 1.26( 5.78%) 503. (0.00000) RY (33) C 8 s( 12.65%)p 1.03( 12.98%)d 3.23( 40.85%) f 1.81( 22.84%)g 0.84( 10.68%) 504. (0.00000) RY (34) C 8 s( 8.31%)p 4.50( 37.39%)d 2.75( 22.82%) f 3.11( 25.83%)g 0.68( 5.65%) 505. (0.00000) RY (35) C 8 s( 56.78%)p 0.00( 0.03%)d 0.07( 4.06%) f 0.19( 10.85%)g 0.50( 28.28%) 506. (0.00000) RY (36) C 8 s( 9.20%)p 0.02( 0.22%)d 1.22( 11.23%) f 3.11( 28.62%)g 5.52( 50.73%) 507. (0.00000) RY (37) C 8 s( 14.07%)p 0.07( 1.01%)d 0.96( 13.51%) f 3.01( 42.30%)g 2.07( 29.11%) 508. (0.00000) RY (38) C 8 s( 4.14%)p 0.21( 0.87%)d 2.57( 10.64%) f12.91( 53.50%)g 7.44( 30.84%) 509. (0.00000) RY (39) C 8 s( 0.36%)p 1.76( 0.64%)d13.23( 4.80%) f99.99( 69.45%)g68.15( 24.75%) 510. (0.00000) RY (40) C 8 s( 17.05%)p 0.08( 1.40%)d 1.02( 17.31%) f 1.47( 25.00%)g 2.30( 39.24%) 511. (0.00000) RY (41) C 8 s( 3.76%)p 1.75( 6.56%)d 5.82( 21.88%) f 6.29( 23.63%)g11.76( 44.17%) 512. (0.00000) RY (42) C 8 s( 5.46%)p 0.34( 1.84%)d 1.69( 9.21%) f 6.98( 38.12%)g 8.31( 45.37%) 513. (0.00000) RY (43) C 8 s( 6.80%)p 0.21( 1.44%)d 2.59( 17.63%) f 3.51( 23.88%)g 7.39( 50.25%) 514. (0.00000) RY (44) C 8 s( 7.98%)p 0.52( 4.19%)d 2.55( 20.34%) f 4.15( 33.15%)g 4.30( 34.34%) 515. (0.00000) RY (45) C 8 s( 4.85%)p 0.64( 3.09%)d 3.58( 17.34%) f 6.83( 33.14%)g 8.58( 41.58%) 516. (0.00000) RY (46) C 8 s( 6.07%)p 0.53( 3.24%)d 5.79( 35.15%) f 3.41( 20.71%)g 5.74( 34.83%) 517. (0.00000) RY (47) C 8 s( 10.72%)p 0.27( 2.85%)d 2.47( 26.46%) f 2.92( 31.31%)g 2.67( 28.66%) 518. (0.00000) RY (48) C 8 s( 18.84%)p 0.08( 1.50%)d 0.62( 11.65%) f 1.19( 22.41%)g 2.42( 45.61%) 519. (0.00000) RY (49) C 8 s( 1.89%)p 0.72( 1.37%)d18.60( 35.13%) f10.32( 19.50%)g22.30( 42.12%) 520. (0.00000) RY (50) C 8 s( 40.31%)p 0.07( 2.99%)d 0.53( 21.46%) f 0.33( 13.14%)g 0.55( 22.10%) 521. (0.00000) RY (51) C 8 s( 26.82%)p 0.30( 8.09%)d 0.47( 12.71%) f 1.32( 35.32%)g 0.64( 17.06%) 522. (0.00000) RY (52) C 8 s( 10.54%)p 0.24( 2.56%)d 2.66( 28.05%) f 1.11( 11.69%)g 4.48( 47.17%) 523. (0.00382) RY ( 1) C 9 s( 0.95%)p86.91( 82.92%)d16.13( 15.39%) f 0.66( 0.63%)g 0.12( 0.11%) 0.0000 -0.0138 0.0819 -0.0460 -0.0035 0.0226 0.0007 -0.0238 0.4417 -0.0565 -0.0229 -0.0004 -0.4447 0.0197 -0.0011 -0.0129 0.6565 -0.0205 0.0013 0.0182 -0.0262 -0.0001 0.2060 -0.2691 0.0021 -0.0608 0.1591 -0.0018 0.0002 -0.0893 -0.0160 -0.0250 0.0094 0.0021 -0.0054 0.0078 -0.0125 -0.0170 -0.0008 0.0058 -0.0647 -0.0073 0.0122 0.0138 -0.0277 -0.0089 0.0169 0.0062 0.0164 0.0136 0.0033 -0.0118 0.0089 -0.0141 -0.0043 -0.0070 -0.0130 524. (0.00305) RY ( 2) C 9 s( 2.38%)p38.00( 90.61%)d 1.26( 3.01%) f 1.67( 3.97%)g 0.01( 0.03%) 0.0000 0.0016 0.1544 -0.0026 0.0009 0.0016 0.0001 -0.0137 -0.5988 -0.0367 -0.0223 0.0295 0.3229 0.0199 0.0101 0.0316 0.6585 0.0689 0.0222 -0.0568 0.0761 -0.0012 -0.0511 0.0466 0.0082 0.0462 -0.0633 0.0117 0.0830 -0.0186 -0.0045 0.0108 0.0474 0.0169 -0.0520 0.0093 -0.1132 0.0245 0.0957 -0.0277 0.0272 -0.0050 -0.1002 0.0288 0.0187 -0.0048 0.0368 -0.0160 0.0016 -0.0086 0.0075 -0.0060 -0.0078 0.0015 -0.0066 0.0033 0.0008 525. (0.00238) RY ( 3) C 9 s( 22.17%)p 1.80( 39.92%)d 1.58( 34.95%) f 0.13( 2.89%)g 0.00( 0.07%) 0.0000 0.0053 0.4701 0.0194 0.0171 0.0049 -0.0005 0.0194 -0.2398 0.0551 -0.0110 0.0201 -0.5617 0.0506 -0.0237 -0.0127 -0.1333 0.0330 0.0102 -0.1426 0.0933 -0.0172 0.0580 0.1463 0.0221 0.4010 -0.2426 0.0259 0.1920 -0.0882 0.0217 0.1055 -0.1354 -0.0018 -0.0250 0.0036 0.0213 -0.0075 -0.0120 -0.0006 0.0118 0.0075 0.1440 -0.0295 0.0272 -0.0114 0.0690 -0.0115 -0.0159 -0.0009 -0.0015 0.0004 -0.0164 -0.0033 0.0057 -0.0108 0.0041 526. (0.00090) RY ( 4) C 9 s( 8.19%)p 1.78( 14.56%)d 8.94( 73.16%) f 0.48( 3.89%)g 0.02( 0.20%) 0.0000 -0.0026 0.2673 -0.1021 0.0005 -0.0022 0.0010 0.0034 0.1079 0.0179 0.0604 0.0074 0.0379 -0.3063 -0.0517 0.0009 -0.0454 -0.1461 -0.0929 -0.1960 0.2736 -0.0597 -0.1379 -0.3237 -0.0335 -0.3318 -0.3605 -0.0407 0.2352 0.3253 0.0390 0.1106 0.2690 -0.0307 0.0371 0.0369 0.0139 -0.0251 -0.0421 -0.0604 -0.0356 0.0072 -0.0875 -0.0207 0.1395 0.0233 0.0134 0.0181 -0.0051 0.0262 0.0049 -0.0011 -0.0289 -0.0030 -0.0140 0.0022 0.0145 527. (0.00074) RY ( 5) C 9 s( 18.97%)p 1.20( 22.80%)d 2.69( 51.08%) f 0.35( 6.70%)g 0.02( 0.45%) 0.0000 0.0053 0.3839 -0.2047 -0.0048 -0.0192 0.0003 0.0267 0.1816 -0.2481 -0.0533 0.0293 0.2532 -0.1817 0.0227 -0.0025 -0.0328 0.1665 0.0507 -0.4015 -0.0442 -0.0476 0.1130 0.1939 -0.0009 -0.1743 0.0886 -0.0016 -0.2765 -0.2701 -0.0423 0.2037 -0.2462 0.0596 -0.1222 -0.0128 0.1850 -0.0159 -0.0099 0.0067 -0.0503 0.0185 -0.0489 -0.0112 0.0528 -0.0681 -0.0670 -0.0023 -0.0375 0.0030 0.0034 0.0037 -0.0381 -0.0301 -0.0175 -0.0038 -0.0191 528. (0.00058) RY ( 6) C 9 s( 11.70%)p 2.06( 24.06%)d 4.19( 48.99%) f 1.26( 14.80%)g 0.04( 0.45%) 0.0000 -0.0198 0.3393 -0.0184 -0.0006 -0.0336 -0.0001 -0.0194 0.2598 0.0281 -0.0150 -0.0230 0.3651 0.0561 0.0741 -0.0129 -0.1340 0.0153 0.1046 0.2709 -0.0203 0.0160 0.4183 -0.0862 -0.0169 0.2768 -0.0240 0.0171 0.2729 -0.0689 -0.0213 -0.1892 0.1979 0.0322 -0.2628 0.0605 -0.1427 0.0318 0.1453 -0.0454 0.0719 -0.0170 -0.1197 0.0691 0.0075 -0.0118 0.0770 0.0062 0.0118 -0.0268 0.0249 -0.0338 0.0272 -0.0016 -0.0292 -0.0012 -0.0158 529. (0.00042) RY ( 7) C 9 s( 1.32%)p10.97( 14.46%)d17.75( 23.40%) f44.76( 59.00%)g 1.38( 1.82%) 0.0000 -0.0075 0.1108 -0.0027 -0.0123 -0.0261 0.0006 -0.0166 -0.0583 0.0559 0.1767 -0.0013 0.2397 -0.0003 -0.1132 0.0081 0.0845 -0.0033 -0.1707 0.2101 -0.1606 -0.0478 0.2072 -0.1184 -0.0258 0.0041 0.0111 0.0028 0.2039 0.0739 0.0147 0.0126 -0.2230 -0.0828 0.2325 -0.0734 0.5094 -0.1686 -0.3297 0.1016 0.0237 0.0009 0.2946 -0.0899 -0.0439 0.0216 0.1587 -0.0243 0.0020 0.1028 -0.0538 0.0493 0.0133 -0.0008 0.0449 0.0005 0.0090 530. (0.00013) RY ( 8) C 9 s( 7.79%)p 2.32( 18.11%)d 7.49( 58.33%) f 1.95( 15.18%)g 0.08( 0.59%) 0.0000 0.0047 0.2437 0.1290 -0.0413 0.0108 0.0043 0.0035 0.1359 -0.3576 0.0366 -0.0094 -0.0216 0.1270 -0.0120 0.0100 0.0125 -0.1255 -0.0241 0.3465 -0.2006 0.0597 -0.4909 0.2273 -0.0475 -0.2128 -0.0455 -0.0159 0.2008 -0.1741 0.0105 0.0776 0.0098 -0.0002 -0.0159 0.0001 -0.0517 0.0097 0.0015 -0.0016 -0.1402 0.0261 -0.1013 -0.0059 -0.1367 0.0036 0.3062 -0.0755 -0.0271 -0.0142 -0.0390 0.0331 -0.0411 -0.0046 -0.0188 -0.0132 0.0104 531. (0.00011) RY ( 9) C 9 s( 4.67%)p 5.03( 23.51%)d 8.98( 41.95%) f 5.89( 27.53%)g 0.50( 2.34%) 0.0000 0.0161 0.2010 0.0267 -0.0672 -0.0284 0.0028 0.0131 -0.3425 -0.0309 -0.0007 0.0295 -0.1844 0.0336 -0.0638 0.0028 -0.1819 -0.1878 0.0907 0.0445 -0.1069 0.0172 0.1482 -0.1878 -0.0500 -0.3647 0.4244 0.0508 0.1276 -0.1014 0.0015 -0.0463 -0.0079 0.0408 -0.0764 0.0253 -0.1082 0.0542 -0.3084 0.1189 0.2109 -0.0564 -0.2378 0.0588 0.0574 -0.0045 -0.1831 0.0199 0.0922 -0.0242 -0.0224 0.0323 0.0812 0.0182 -0.0601 0.0415 -0.0222 532. (0.00007) RY (10) C 9 s( 6.66%)p 0.71( 4.72%)d 9.24( 61.49%) f 3.93( 26.19%)g 0.14( 0.95%) 533. (0.00007) RY (11) C 9 s( 8.52%)p 4.47( 38.08%)d 2.65( 22.58%) f 3.42( 29.16%)g 0.19( 1.65%) 534. (0.00006) RY (12) C 9 s( 3.80%)p 1.54( 5.87%)d14.18( 53.96%) f 8.75( 33.30%)g 0.81( 3.07%) 535. (0.00004) RY (13) C 9 s( 5.76%)p 6.46( 37.18%)d 7.01( 40.36%) f 2.45( 14.13%)g 0.45( 2.58%) 536. (0.00002) RY (14) C 9 s( 6.51%)p 5.56( 36.16%)d 3.72( 24.22%) f 4.65( 30.29%)g 0.43( 2.82%) 537. (0.00002) RY (15) C 9 s( 5.36%)p 3.08( 16.53%)d 9.64( 51.73%) f 4.01( 21.49%)g 0.91( 4.88%) 538. (0.00002) RY (16) C 9 s( 8.06%)p 4.82( 38.85%)d 5.46( 44.06%) f 1.03( 8.31%)g 0.09( 0.71%) 539. (0.00001) RY (17) C 9 s( 7.91%)p 3.97( 31.43%)d 4.60( 36.37%) f 2.84( 22.46%)g 0.23( 1.83%) 540. (0.00001) RY (18) C 9 s( 9.38%)p 1.21( 11.34%)d 3.04( 28.48%) f 4.23( 39.70%)g 1.18( 11.10%) 541. (0.00001) RY (19) C 9 s( 15.44%)p 0.98( 15.14%)d 3.34( 51.54%) f 1.02( 15.77%)g 0.14( 2.11%) 542. (0.00001) RY (20) C 9 s( 13.49%)p 0.75( 10.11%)d 2.19( 29.55%) f 2.69( 36.31%)g 0.78( 10.53%) 543. (0.00000) RY (21) C 9 s( 12.87%)p 0.90( 11.54%)d 1.90( 24.48%) f 1.86( 23.92%)g 2.11( 27.20%) 544. (0.00000) RY (22) C 9 s( 10.92%)p 1.92( 20.96%)d 1.24( 13.50%) f 2.40( 26.18%)g 2.60( 28.44%) 545. (0.00000) RY (23) C 9 s( 6.79%)p 1.45( 9.85%)d 1.81( 12.32%) f 4.32( 29.31%)g 6.15( 41.74%) 546. (0.00000) RY (24) C 9 s( 5.72%)p 4.10( 23.44%)d 3.82( 21.82%) f 6.01( 34.36%)g 2.56( 14.66%) 547. (0.00000) RY (25) C 9 s( 17.72%)p 0.59( 10.42%)d 1.30( 22.99%) f 1.51( 26.79%)g 1.25( 22.09%) 548. (0.00000) RY (26) C 9 s( 26.57%)p 0.54( 14.29%)d 0.80( 21.21%) f 0.96( 25.47%)g 0.47( 12.46%) 549. (0.00000) RY (27) C 9 s( 23.39%)p 1.37( 31.99%)d 0.57( 13.32%) f 0.97( 22.70%)g 0.37( 8.60%) 550. (0.00000) RY (28) C 9 s( 12.22%)p 1.48( 18.13%)d 4.26( 52.09%) f 1.06( 12.95%)g 0.38( 4.62%) 551. (0.00000) RY (29) C 9 s( 11.06%)p 1.55( 17.16%)d 1.51( 16.74%) f 3.66( 40.52%)g 1.31( 14.52%) 552. (0.00000) RY (30) C 9 s( 7.03%)p 1.84( 12.92%)d 4.43( 31.15%) f 5.17( 36.40%)g 1.78( 12.50%) 553. (0.00000) RY (31) C 9 s( 8.24%)p 2.09( 17.26%)d 2.42( 19.94%) f 5.46( 44.98%)g 1.16( 9.58%) 554. (0.00000) RY (32) C 9 s( 5.01%)p 6.96( 34.84%)d 7.39( 36.99%) f 3.40( 17.04%)g 1.22( 6.12%) 555. (0.00000) RY (33) C 9 s( 2.47%)p 4.38( 10.79%)d18.42( 45.40%) f15.98( 39.40%)g 0.79( 1.95%) 556. (0.00001) RY (34) C 9 s( 4.06%)p 6.08( 24.65%)d 6.23( 25.25%) f10.54( 42.74%)g 0.82( 3.31%) 557. (0.00000) RY (35) C 9 s( 81.73%)p 0.00( 0.08%)d 0.06( 5.28%) f 0.06( 5.21%)g 0.09( 7.70%) 558. (0.00000) RY (36) C 9 s( 2.24%)p 1.35( 3.02%)d 8.04( 17.98%) f13.41( 30.02%)g20.88( 46.74%) 559. (0.00000) RY (37) C 9 s( 9.07%)p 0.15( 1.39%)d 0.47( 4.22%) f 5.20( 47.16%)g 4.21( 38.17%) 560. (0.00000) RY (38) C 9 s( 2.17%)p 1.45( 3.15%)d 7.01( 15.24%) f22.70( 49.36%)g13.83( 30.08%) 561. (0.00000) RY (39) C 9 s( 4.20%)p 0.21( 0.89%)d 8.83( 37.08%) f 6.11( 25.65%)g 7.67( 32.18%) 562. (0.00000) RY (40) C 9 s( 4.20%)p 0.65( 2.73%)d 2.26( 9.47%) f 5.20( 21.81%)g14.73( 61.80%) 563. (0.00000) RY (41) C 9 s( 0.94%)p 3.83( 3.62%)d17.34( 16.36%) f47.45( 44.74%)g36.42( 34.34%) 564. (0.00000) RY (42) C 9 s( 3.49%)p 2.45( 8.57%)d 5.15( 17.96%) f14.50( 50.62%)g 5.55( 19.36%) 565. (0.00000) RY (43) C 9 s( 5.25%)p 0.25( 1.31%)d 1.72( 9.03%) f 4.66( 24.49%)g11.41( 59.92%) 566. (0.00000) RY (44) C 9 s( 5.63%)p 0.21( 1.19%)d 0.93( 5.21%) f 5.93( 33.37%)g 9.70( 54.61%) 567. (0.00000) RY (45) C 9 s( 3.22%)p 0.19( 0.60%)d 8.71( 28.07%) f12.80( 41.23%)g 8.35( 26.89%) 568. (0.00000) RY (46) C 9 s( 1.57%)p 0.88( 1.38%)d 7.69( 12.06%) f37.55( 58.92%)g16.62( 26.07%) 569. (0.00000) RY (47) C 9 s( 3.24%)p 1.44( 4.66%)d10.56( 34.16%) f 8.36( 27.05%)g 9.54( 30.89%) 570. (0.00000) RY (48) C 9 s( 4.89%)p 0.50( 2.43%)d 6.53( 31.89%) f 4.23( 20.65%)g 8.21( 40.13%) 571. (0.00000) RY (49) C 9 s( 9.73%)p 0.43( 4.22%)d 2.66( 25.92%) f 2.25( 21.88%)g 3.93( 38.24%) 572. (0.00000) RY (50) C 9 s( 2.30%)p 2.17( 4.99%)d18.57( 42.61%) f 5.81( 13.32%)g16.03( 36.78%) 573. (0.00000) RY (51) C 9 s( 14.73%)p 0.82( 12.12%)d 0.97( 14.32%) f 2.12( 31.21%)g 1.88( 27.63%) 574. (0.00000) RY (52) C 9 s( 18.50%)p 0.54( 9.91%)d 1.11( 20.61%) f 1.01( 18.62%)g 1.75( 32.35%) 575. (0.00391) RY ( 1) C 10 s( 0.62%)p99.99( 80.86%)d28.50( 17.63%) f 1.22( 0.75%)g 0.22( 0.13%) 0.0000 0.0125 -0.0443 0.0601 0.0107 -0.0186 -0.0008 0.0212 -0.4416 0.0942 0.0292 -0.0091 0.6339 -0.0145 -0.0019 -0.0086 0.4484 -0.0024 0.0057 0.0764 -0.0739 0.0006 0.2029 -0.2488 0.0007 -0.0314 0.1590 -0.0009 0.0752 0.0055 0.0261 0.0858 -0.1481 -0.0056 0.0202 0.0123 0.0124 -0.0034 -0.0475 0.0022 -0.0329 0.0012 0.0140 0.0296 0.0251 -0.0003 -0.0414 -0.0072 -0.0148 0.0186 -0.0080 0.0148 -0.0068 -0.0176 0.0097 0.0050 0.0046 576. (0.00310) RY ( 2) C 10 s( 0.45%)p99.99( 93.69%)d 3.62( 1.63%) f 9.30( 4.19%)g 0.08( 0.03%) 0.0000 0.0030 0.0655 -0.0144 -0.0022 -0.0020 -0.0001 -0.0130 -0.5832 -0.0620 -0.0285 0.0113 0.1039 -0.0294 0.0031 -0.0434 -0.7563 -0.0717 -0.0328 -0.0124 0.0136 -0.0019 0.0668 -0.0722 -0.0038 0.0268 0.0239 0.0078 0.0291 -0.0424 -0.0134 -0.0265 0.0309 0.0218 -0.0314 0.0096 -0.1609 0.0420 0.0431 -0.0042 -0.0966 0.0260 0.0131 -0.0060 -0.0273 0.0030 -0.0189 -0.0039 0.0110 0.0114 -0.0012 -0.0037 0.0061 0.0026 0.0060 0.0004 0.0002 577. (0.00218) RY ( 3) C 10 s( 20.05%)p 2.27( 45.60%)d 1.60( 32.07%) f 0.11( 2.22%)g 0.00( 0.06%) 0.0000 0.0045 0.4471 0.0141 0.0161 0.0124 -0.0004 0.0109 -0.3157 0.0402 -0.0187 0.0213 -0.5474 0.0315 -0.0276 -0.0035 0.2216 -0.0573 0.0070 -0.1406 0.0478 -0.0254 0.0351 -0.1617 -0.0111 -0.0530 0.0288 -0.0032 0.3369 -0.1482 0.0299 0.2911 -0.2134 0.0146 -0.0026 0.0082 0.0614 -0.0142 -0.0007 -0.0052 -0.0690 0.0126 -0.0646 0.0066 0.0812 -0.0164 0.0454 -0.0096 -0.0023 0.0122 -0.0083 0.0125 -0.0036 0.0077 -0.0069 -0.0046 0.0071 578. (0.00109) RY ( 4) C 10 s( 7.09%)p 2.68( 18.96%)d 9.64( 68.34%) f 0.75( 5.33%)g 0.04( 0.28%) 0.0000 0.0027 0.2401 -0.1137 0.0061 -0.0169 -0.0012 0.0195 0.1365 -0.1953 -0.0805 0.0201 0.2605 -0.0817 0.0087 -0.0028 -0.0306 -0.1974 -0.1053 -0.2217 -0.3456 -0.0158 -0.1598 -0.2097 -0.0096 -0.1104 -0.5390 0.0125 -0.1492 -0.2434 -0.0637 0.2272 0.0099 0.0693 0.0476 -0.0316 0.1289 0.0136 0.1384 0.0167 -0.0223 -0.0266 0.0647 -0.0444 -0.0279 -0.0661 -0.0277 -0.0236 0.0050 0.0001 -0.0200 0.0074 0.0273 0.0381 0.0015 -0.0092 -0.0019 579. (0.00082) RY ( 5) C 10 s( 22.53%)p 0.85( 19.25%)d 2.31( 52.02%) f 0.25( 5.71%)g 0.02( 0.49%) 0.0000 0.0052 0.4295 -0.2019 -0.0009 -0.0098 0.0008 0.0252 0.1568 -0.1259 0.0041 0.0273 0.1420 -0.3052 -0.0063 -0.0132 -0.0180 0.1848 0.0517 -0.3394 0.2588 -0.0547 0.2626 0.0143 0.0610 0.3333 0.2306 0.0294 -0.2294 -0.0137 -0.0166 -0.1254 -0.1665 -0.0206 0.0153 0.0386 -0.0122 -0.0294 0.0567 -0.0363 0.0669 0.0153 0.2072 -0.0191 0.0319 -0.0218 0.0114 0.0131 0.0082 0.0125 -0.0265 0.0024 -0.0195 0.0484 0.0152 -0.0153 0.0275 580. (0.00059) RY ( 6) C 10 s( 10.37%)p 1.88( 19.46%)d 5.33( 55.29%) f 1.39( 14.44%)g 0.04( 0.45%) 0.0000 -0.0207 0.3204 -0.0017 0.0034 -0.0243 -0.0001 -0.0198 0.2456 0.0962 0.0051 -0.0127 0.3331 0.0312 0.0153 0.0227 -0.0569 -0.0163 -0.0907 0.0395 0.1549 0.0152 -0.4710 0.1295 0.0142 -0.1250 0.2711 0.0012 0.4364 -0.0545 -0.0006 0.0185 0.0720 0.0155 0.0092 0.0151 -0.1811 0.0572 0.1702 -0.0605 -0.2566 0.0665 -0.0020 -0.0262 -0.0429 0.0421 0.0054 0.0276 0.0498 -0.0046 -0.0063 -0.0206 0.0209 -0.0217 -0.0006 -0.0146 -0.0195 581. (0.00042) RY ( 7) C 10 s( 1.54%)p 9.21( 14.16%)d14.75( 22.69%) f38.77( 59.66%)g 1.26( 1.95%) 0.0000 -0.0071 0.1211 -0.0009 -0.0097 -0.0239 0.0005 -0.0157 -0.0717 0.0470 0.1839 -0.0031 0.1441 0.0135 -0.0261 -0.0072 -0.1746 0.0047 0.2192 0.0810 -0.0409 -0.0378 -0.2582 0.1732 0.0436 0.1123 -0.0771 -0.0527 0.1899 0.1451 0.0311 -0.0303 -0.1844 -0.0662 0.1584 -0.0403 0.5593 -0.1895 -0.3105 0.0816 0.1975 -0.0738 0.1339 -0.0437 0.0337 0.0064 0.2241 -0.0483 -0.0718 -0.0722 0.0271 0.0070 -0.0820 0.0287 -0.0121 0.0196 0.0151 582. (0.00015) RY ( 8) C 10 s( 3.82%)p 4.99( 19.05%)d14.10( 53.81%) f 5.86( 22.37%)g 0.25( 0.95%) 0.0000 0.0012 0.1562 0.1078 -0.0398 0.0239 0.0025 -0.0004 0.2429 -0.3167 0.0204 -0.0220 0.0106 0.1182 0.0457 0.0013 -0.1004 0.0056 0.0639 0.5228 -0.2080 0.0555 0.2969 -0.1667 0.0065 0.0657 0.1387 0.0020 0.0486 -0.2211 -0.0222 -0.0307 -0.1580 -0.0357 -0.0993 0.0356 0.0020 -0.0299 0.0666 -0.0247 -0.0725 0.0414 -0.0830 -0.0007 -0.1702 -0.0008 0.3961 -0.0827 -0.0336 0.0317 -0.0372 0.0225 -0.0166 0.0493 -0.0040 -0.0377 0.0365 583. (0.00012) RY ( 9) C 10 s( 14.45%)p 1.40( 20.18%)d 3.30( 47.72%) f 1.11( 16.11%)g 0.11( 1.53%) 0.0000 0.0171 0.3596 0.0957 -0.0629 -0.0431 0.0040 0.0160 -0.2461 -0.1299 0.0162 0.0195 -0.0558 0.1937 -0.0910 -0.0159 0.2449 0.1028 -0.0614 0.1865 -0.1177 0.0768 -0.0804 0.1611 0.0328 0.2977 -0.2479 0.0101 -0.0426 0.0539 0.0135 -0.3762 0.3004 0.0482 0.2601 -0.0935 -0.1972 0.0596 -0.0331 0.0209 -0.0019 -0.0051 0.0981 0.0087 -0.1601 0.0281 -0.0675 0.0050 -0.0268 -0.0259 0.0282 -0.0775 0.0147 -0.0524 0.0539 -0.0176 -0.0308 584. (0.00008) RY (10) C 10 s( 2.46%)p 7.10( 17.49%)d17.18( 42.33%) f15.04( 37.04%)g 0.28( 0.68%) 585. (0.00006) RY (11) C 10 s( 17.27%)p 0.98( 16.84%)d 2.72( 46.94%) f 0.90( 15.58%)g 0.20( 3.37%) 586. (0.00005) RY (12) C 10 s( 0.64%)p21.52( 13.76%)d86.99( 55.62%) f43.56( 27.85%)g 3.32( 2.12%) 587. (0.00004) RY (13) C 10 s( 1.96%)p18.24( 35.82%)d17.67( 34.70%) f12.23( 24.03%)g 1.77( 3.49%) 588. (0.00003) RY (14) C 10 s( 4.54%)p10.33( 46.87%)d 3.74( 16.99%) f 6.45( 29.26%)g 0.52( 2.34%) 589. (0.00002) RY (15) C 10 s( 1.85%)p10.85( 20.11%)d23.00( 42.61%) f17.24( 31.94%)g 1.88( 3.48%) 590. (0.00002) RY (16) C 10 s( 0.90%)p30.64( 27.56%)d61.61( 55.43%) f15.84( 14.25%)g 2.06( 1.85%) 591. (0.00002) RY (17) C 10 s( 14.45%)p 3.58( 51.79%)d 1.53( 22.18%) f 0.68( 9.82%)g 0.12( 1.76%) 592. (0.00001) RY (18) C 10 s( 20.23%)p 0.42( 8.53%)d 1.15( 23.29%) f 1.76( 35.57%)g 0.61( 12.38%) 593. (0.00001) RY (19) C 10 s( 19.64%)p 0.61( 11.94%)d 2.05( 40.24%) f 1.14( 22.49%)g 0.29( 5.69%) 594. (0.00001) RY (20) C 10 s( 14.79%)p 1.84( 27.22%)d 1.63( 24.05%) f 2.06( 30.41%)g 0.24( 3.53%) 595. (0.00001) RY (21) C 10 s( 1.73%)p16.65( 28.80%)d19.95( 34.50%) f18.82( 32.55%)g 1.40( 2.42%) 596. (0.00001) RY (22) C 10 s( 0.67%)p15.83( 10.63%)d99.99( 67.71%) f28.07( 18.86%)g 3.17( 2.13%) 597. (0.00000) RY (23) C 10 s( 7.39%)p 1.75( 12.95%)d 3.41( 25.20%) f 6.14( 45.37%)g 1.23( 9.09%) 598. (0.00000) RY (24) C 10 s( 3.54%)p 3.83( 13.54%)d12.27( 43.41%) f 9.50( 33.62%)g 1.67( 5.90%) 599. (0.00000) RY (25) C 10 s( 2.13%)p 2.07( 4.41%)d 3.97( 8.44%) f25.68( 54.65%)g14.27( 30.36%) 600. (0.00000) RY (26) C 10 s( 8.01%)p 3.55( 28.42%)d 3.05( 24.43%) f 2.62( 20.97%)g 2.27( 18.18%) 601. (0.00000) RY (27) C 10 s( 41.55%)p 0.31( 12.97%)d 0.27( 11.22%) f 0.36( 15.13%)g 0.46( 19.12%) 602. (0.00000) RY (28) C 10 s( 1.62%)p 1.42( 2.30%)d19.40( 31.42%) f16.34( 26.47%)g23.57( 38.19%) 603. (0.00000) RY (29) C 10 s( 27.08%)p 0.74( 20.15%)d 0.66( 17.97%) f 0.72( 19.54%)g 0.56( 15.26%) 604. (0.00000) RY (30) C 10 s( 11.58%)p 0.80( 9.32%)d 2.61( 30.19%) f 1.77( 20.48%)g 2.45( 28.43%) 605. (0.00000) RY (31) C 10 s( 19.00%)p 1.66( 31.58%)d 0.82( 15.67%) f 1.17( 22.31%)g 0.60( 11.44%) 606. (0.00000) RY (32) C 10 s( 7.96%)p 2.37( 18.84%)d 5.44( 43.31%) f 3.10( 24.67%)g 0.66( 5.23%) 607. (0.00000) RY (33) C 10 s( 4.81%)p 2.68( 12.91%)d 2.84( 13.65%) f11.12( 53.52%)g 3.14( 15.11%) 608. (0.00000) RY (34) C 10 s( 16.80%)p 1.14( 19.17%)d 1.76( 29.56%) f 1.63( 27.38%)g 0.42( 7.10%) 609. (0.00000) RY (35) C 10 s( 77.29%)p 0.00( 0.18%)d 0.06( 4.33%) f 0.05( 4.24%)g 0.18( 13.97%) 610. (0.00000) RY (36) C 10 s( 1.09%)p 1.60( 1.75%)d24.54( 26.82%) f18.87( 20.63%)g45.47( 49.71%) 611. (0.00000) RY (37) C 10 s( 7.91%)p 0.12( 0.96%)d 0.95( 7.50%) f 4.11( 32.49%)g 6.47( 51.13%) 612. (0.00000) RY (38) C 10 s( 0.51%)p 0.90( 0.46%)d13.44( 6.83%) f99.99( 59.76%)g63.81( 32.45%) 613. (0.00000) RY (39) C 10 s( 3.98%)p 0.06( 0.25%)d 1.79( 7.13%) f14.26( 56.73%)g 8.02( 31.91%) 614. (0.00000) RY (40) C 10 s( 2.77%)p 0.56( 1.54%)d 8.32( 23.01%) f13.77( 38.10%)g12.50( 34.58%) 615. (0.00000) RY (41) C 10 s( 1.33%)p 1.45( 1.93%)d 4.84( 6.43%) f43.70( 58.05%)g24.28( 32.25%) 616. (0.00000) RY (42) C 10 s( 5.46%)p 0.16( 0.87%)d 1.76( 9.59%) f 4.60( 25.12%)g10.80( 58.96%) 617. (0.00000) RY (43) C 10 s( 1.01%)p 0.98( 0.99%)d25.82( 26.04%) f21.38( 21.57%)g49.95( 50.39%) 618. (0.00000) RY (44) C 10 s( 1.99%)p 0.62( 1.23%)d11.37( 22.65%) f20.11( 40.05%)g17.10( 34.07%) 619. (0.00000) RY (45) C 10 s( 5.93%)p 0.92( 5.43%)d 2.69( 15.97%) f 3.97( 23.57%)g 8.28( 49.09%) 620. (0.00000) RY (46) C 10 s( 10.07%)p 0.04( 0.45%)d 3.87( 38.95%) f 1.85( 18.63%)g 3.17( 31.90%) 621. (0.00000) RY (47) C 10 s( 5.80%)p 0.35( 2.03%)d 3.18( 18.47%) f 7.37( 42.78%)g 5.33( 30.91%) 622. (0.00000) RY (48) C 10 s( 8.11%)p 1.29( 10.50%)d 4.13( 33.53%) f 3.59( 29.11%)g 2.31( 18.74%) 623. (0.00000) RY (49) C 10 s( 2.92%)p 2.47( 7.23%)d 9.16( 26.77%) f 8.29( 24.23%)g13.29( 38.84%) 624. (0.00000) RY (50) C 10 s( 8.57%)p 2.31( 19.76%)d 1.97( 16.87%) f 3.28( 28.10%)g 3.12( 26.70%) 625. (0.00000) RY (51) C 10 s( 3.53%)p 0.32( 1.11%)d 9.65( 34.08%) f 5.71( 20.18%)g11.63( 41.09%) 626. (0.00000) RY (52) C 10 s( 18.37%)p 0.49( 9.07%)d 1.20( 21.99%) f 1.73( 31.85%)g 1.02( 18.72%) 627. (0.00105) RY ( 1) H 11 s( 76.98%)p 0.29( 21.98%)d 0.01( 1.01%) f 0.00( 0.04%) -0.0031 0.8752 -0.0609 0.0054 0.3814 0.0629 0.0611 -0.1662 -0.0366 0.0015 0.1726 0.0876 -0.0140 0.0468 -0.0124 -0.0310 0.0013 -0.0286 0.0092 0.0112 0.0099 0.0741 -0.0132 -0.0071 -0.0132 -0.0067 0.0059 0.0053 0.0045 0.0017 628. (0.00050) RY ( 2) H 11 s( 14.09%)p 4.80( 67.68%)d 1.17( 16.55%) f 0.12( 1.68%) -0.0008 0.2671 0.2621 -0.0302 -0.3533 -0.2555 0.0314 -0.3204 -0.0468 0.0623 -0.5937 -0.1565 0.0117 0.2405 -0.0400 0.0726 -0.0210 -0.0738 0.0168 0.1569 -0.0082 -0.2616 0.0386 -0.0512 0.1000 0.0111 0.0053 0.0364 -0.0380 -0.0350 629. (0.00041) RY ( 3) H 11 s( 60.47%)p 0.50( 30.47%)d 0.14( 8.46%) f 0.01( 0.61%) 0.0006 0.1309 0.7665 0.0050 -0.1280 -0.2197 0.0110 0.3840 0.0108 -0.0033 0.1812 0.2384 -0.0520 -0.1065 0.0178 -0.0905 0.0108 0.1747 -0.0146 0.1228 -0.0046 0.1359 -0.0182 -0.0286 -0.0445 -0.0294 0.0284 -0.0047 0.0094 0.0385 630. (0.00022) RY ( 4) H 11 s( 17.78%)p 2.62( 46.59%)d 1.97( 35.08%) f 0.03( 0.55%) -0.0007 -0.2251 0.3560 -0.0197 0.1891 -0.0829 -0.1033 -0.5284 0.2746 0.0811 0.2178 -0.0289 -0.0560 0.3272 -0.0469 -0.1705 0.0168 -0.2781 0.0536 -0.2822 0.0499 0.2210 -0.0321 0.0166 -0.0658 0.0176 0.0131 0.0001 -0.0192 0.0028 631. (0.00010) RY ( 5) H 11 s( 13.18%)p 4.81( 63.37%)d 1.52( 19.99%) f 0.26( 3.46%) 632. (0.00006) RY ( 6) H 11 s( 8.74%)p 5.71( 49.89%)d 4.39( 38.33%) f 0.35( 3.04%) 633. (0.00003) RY ( 7) H 11 s( 7.46%)p 9.36( 69.84%)d 2.53( 18.86%) f 0.51( 3.83%) 634. (0.00002) RY ( 8) H 11 s( 2.93%)p12.49( 36.56%)d19.12( 55.98%) f 1.55( 4.53%) 635. (0.00001) RY ( 9) H 11 s( 5.14%)p 8.13( 41.83%)d 9.63( 49.55%) f 0.68( 3.48%) 636. (0.00001) RY (10) H 11 s( 2.98%)p14.48( 43.09%)d 7.26( 21.61%) f10.87( 32.33%) 637. (0.00000) RY (11) H 11 s( 1.35%)p 5.90( 7.97%)d65.27( 88.13%) f 1.89( 2.55%) 638. (0.00001) RY (12) H 11 s( 8.75%)p 3.49( 30.50%)d 4.63( 40.47%) f 2.32( 20.29%) 639. (0.00000) RY (13) H 11 s( 25.37%)p 1.53( 38.91%)d 1.20( 30.36%) f 0.21( 5.36%) 640. (0.00000) RY (14) H 11 s( 1.09%)p15.96( 17.42%)d21.18( 23.11%) f53.50( 58.38%) 641. (0.00000) RY (15) H 11 s( 0.17%)p65.20( 11.30%)d99.99( 23.01%) f99.99( 65.51%) 642. (0.00000) RY (16) H 11 s( 0.39%)p30.08( 11.76%)d55.47( 21.68%) f99.99( 66.17%) 643. (0.00000) RY (17) H 11 s( 0.67%)p58.09( 39.06%)d14.91( 10.03%) f74.73( 50.24%) 644. (0.00000) RY (18) H 11 s( 2.36%)p24.07( 56.92%)d 6.58( 15.55%) f10.64( 25.16%) 645. (0.00000) RY (19) H 11 s( 31.06%)p 0.90( 27.94%)d 1.11( 34.58%) f 0.21( 6.41%) 646. (0.00000) RY (20) H 11 s( 18.24%)p 1.86( 33.97%)d 1.80( 32.77%) f 0.82( 15.02%) 647. (0.00000) RY (21) H 11 s( 0.09%)p29.44( 2.74%)d99.99( 50.07%) f99.99( 47.10%) 648. (0.00000) RY (22) H 11 s( 0.05%)p39.33( 1.79%)d99.99( 75.18%) f99.99( 22.98%) 649. (0.00000) RY (23) H 11 s( 0.09%)p48.09( 4.32%)d99.99( 69.86%) f99.99( 25.73%) 650. (0.00000) RY (24) H 11 s( 0.11%)p99.99( 27.47%)d99.99( 63.05%) f84.90( 9.37%) 651. (0.00000) RY (25) H 11 s( 0.05%)p89.37( 4.08%)d99.99( 22.58%) f99.99( 73.29%) 652. (0.00000) RY (26) H 11 s( 0.01%)p 1.00( 10.28%)d 2.66( 27.31%) f 6.07( 62.40%) 653. (0.00000) RY (27) H 11 s( 0.17%)p99.99( 41.46%)d99.99( 34.65%) f99.99( 23.71%) 654. (0.00000) RY (28) H 11 s( 0.22%)p99.99( 22.24%)d99.99( 33.31%) f99.99( 44.24%) 655. (0.00000) RY (29) H 11 s( 0.12%)p99.99( 38.47%)d99.99( 38.85%) f99.99( 22.55%) 656. (0.00069) RY ( 1) H 12 s( 83.96%)p 0.15( 12.97%)d 0.03( 2.84%) f 0.00( 0.23%) -0.0040 0.9157 -0.0325 -0.0065 0.2853 0.0028 0.0183 0.0676 -0.1459 -0.0262 0.0582 -0.1164 0.0668 -0.0675 0.0117 -0.0011 0.0213 -0.0031 0.0278 0.0430 0.0026 0.1435 -0.0052 -0.0280 -0.0164 -0.0212 0.0138 -0.0240 0.0052 -0.0020 657. (0.00048) RY ( 2) H 12 s( 7.82%)p 9.04( 70.69%)d 2.52( 19.67%) f 0.23( 1.82%) -0.0020 0.2221 0.1696 0.0091 -0.7102 -0.2843 0.0577 0.2665 0.1248 -0.0243 0.1653 -0.0612 0.0074 -0.0186 0.0074 0.3650 -0.0453 -0.1229 0.0227 0.1610 -0.0168 -0.1356 0.0294 0.0421 -0.0970 0.0586 -0.0556 -0.0093 -0.0040 -0.0198 658. (0.00030) RY ( 3) H 12 s( 28.90%)p 1.71( 49.32%)d 0.73( 21.04%) f 0.03( 0.74%) 0.0037 0.0953 0.5288 0.0159 -0.1512 -0.0019 -0.0224 -0.6165 0.0491 0.0629 -0.0687 -0.2791 0.0274 0.0229 -0.0102 -0.0050 0.0023 0.4528 -0.0626 -0.0102 0.0008 -0.0260 0.0015 -0.0330 0.0213 -0.0090 0.0513 -0.0427 0.0351 -0.0113 659. (0.00019) RY ( 4) H 12 s( 49.68%)p 0.57( 28.32%)d 0.44( 21.76%) f 0.00( 0.24%) 0.0036 -0.0985 0.6970 -0.0370 0.1702 -0.0141 -0.0607 0.3916 0.0765 -0.0687 -0.2785 -0.0935 -0.0107 -0.2083 0.0085 -0.1753 0.0086 -0.2753 0.0352 0.0697 0.0004 0.2420 -0.0532 -0.0269 0.0129 0.0296 0.0163 0.0142 -0.0072 0.0096 660. (0.00011) RY ( 5) H 12 s( 1.92%)p41.17( 79.06%)d 9.37( 18.00%) f 0.53( 1.02%) 0.0072 0.1223 -0.0172 0.0625 0.1201 0.4255 0.1107 0.2542 0.6877 0.1521 -0.1213 -0.0714 -0.0501 0.0099 -0.0179 0.1002 -0.0430 0.2018 -0.0677 -0.0987 -0.0157 -0.3344 0.0244 0.0170 0.0518 0.0746 0.0125 0.0368 0.0102 0.0030 661. (0.00004) RY ( 6) H 12 s( 2.38%)p25.87( 61.47%)d13.26( 31.51%) f 1.95( 4.64%) 662. (0.00003) RY ( 7) H 12 s( 20.30%)p 2.69( 54.69%)d 1.06( 21.58%) f 0.17( 3.43%) 663. (0.00002) RY ( 8) H 12 s( 12.70%)p 3.41( 43.28%)d 2.96( 37.64%) f 0.50( 6.38%) 664. (0.00001) RY ( 9) H 12 s( 4.12%)p12.55( 51.65%)d 8.62( 35.47%) f 2.13( 8.76%) 665. (0.00001) RY (10) H 12 s( 2.94%)p14.40( 42.30%)d 5.71( 16.77%) f12.93( 37.99%) 666. (0.00001) RY (11) H 12 s( 2.91%)p 2.76( 8.03%)d29.99( 87.22%) f 0.63( 1.84%) 667. (0.00000) RY (12) H 12 s( 1.21%)p32.02( 38.60%)d45.78( 55.20%) f 4.15( 5.00%) 668. (0.00000) RY (13) H 12 s( 0.14%)p35.75( 5.16%)d99.99( 30.82%) f99.99( 63.88%) 669. (0.00000) RY (14) H 12 s( 0.83%)p29.49( 24.59%)d21.88( 18.25%) f67.53( 56.32%) 670. (0.00000) RY (15) H 12 s( 3.42%)p 6.67( 22.77%)d11.51( 39.33%) f10.10( 34.48%) 671. (0.00000) RY (16) H 12 s( 0.13%)p99.99( 30.81%)d60.50( 8.11%) f99.99( 60.94%) 672. (0.00000) RY (17) H 12 s( 21.00%)p 1.18( 24.82%)d 2.37( 49.82%) f 0.21( 4.36%) 673. (0.00000) RY (18) H 12 s( 10.32%)p 3.98( 41.05%)d 2.71( 27.92%) f 2.01( 20.72%) 674. (0.00000) RY (19) H 12 s( 4.82%)p 7.74( 37.32%)d 7.49( 36.11%) f 4.51( 21.75%) 675. (0.00000) RY (20) H 12 s( 38.73%)p 0.72( 27.76%)d 0.52( 20.14%) f 0.35( 13.37%) 676. (0.00000) RY (21) H 12 s( 0.09%)p21.65( 1.88%)d99.99( 94.75%) f37.69( 3.28%) 677. (0.00000) RY (22) H 12 s( 0.01%)p99.99( 4.08%)d99.99( 80.59%) f99.99( 15.32%) 678. (0.00000) RY (23) H 12 s( 0.06%)p99.99( 21.01%)d99.99( 52.10%) f99.99( 26.83%) 679. (0.00000) RY (24) H 12 s( 0.02%)p99.99( 16.71%)d99.99( 29.26%) f99.99( 54.02%) 680. (0.00000) RY (25) H 12 s( 0.31%)p49.54( 15.32%)d99.99( 36.39%) f99.99( 47.98%) 681. (0.00000) RY (26) H 12 s( 0.10%)p99.99( 14.73%)d99.99( 46.72%) f99.99( 38.46%) 682. (0.00000) RY (27) H 12 s( 0.11%)p99.99( 20.14%)d99.99( 24.81%) f99.99( 54.93%) 683. (0.00000) RY (28) H 12 s( 0.31%)p99.99( 36.99%)d92.39( 28.47%) f99.99( 34.23%) 684. (0.00000) RY (29) H 12 s( 0.89%)p16.15( 14.39%)d 8.63( 7.69%) f86.45( 77.03%) 685. (0.00134) RY ( 1) H 13 s( 78.99%)p 0.26( 20.45%)d 0.01( 0.54%) f 0.00( 0.02%) -0.0042 0.8871 -0.0539 0.0043 0.3903 0.0763 0.0564 -0.1983 0.0000 0.0037 0.0138 -0.0569 0.0178 0.0416 -0.0081 0.0157 0.0071 0.0547 -0.0080 -0.0027 0.0136 0.0089 0.0004 0.0041 -0.0087 -0.0023 -0.0083 -0.0068 -0.0019 0.0001 686. (0.00051) RY ( 2) H 13 s( 13.71%)p 5.04( 69.07%)d 1.14( 15.59%) f 0.12( 1.64%) 0.0008 0.2539 0.2677 -0.0304 -0.4822 -0.2515 0.0407 0.0141 -0.0560 0.0385 0.6029 0.1542 -0.0336 0.1664 -0.0250 -0.0962 0.0215 -0.0705 0.0128 0.2020 -0.0201 -0.2636 0.0448 0.0503 0.0923 0.0547 -0.0241 0.0044 -0.0147 -0.0386 687. (0.00043) RY ( 3) H 13 s( 54.32%)p 0.67( 36.60%)d 0.16( 8.43%) f 0.01( 0.64%) 0.0014 0.1575 0.7200 0.0031 -0.0980 -0.1694 0.0013 0.3161 -0.1133 0.0247 -0.3892 -0.2459 0.0495 -0.0467 0.0105 0.0862 -0.0136 0.0288 -0.0048 0.1342 -0.0042 0.2339 -0.0296 0.0336 -0.0567 -0.0133 -0.0106 -0.0169 0.0236 0.0306 688. (0.00021) RY ( 4) H 13 s( 21.95%)p 2.08( 45.56%)d 1.47( 32.22%) f 0.01( 0.27%) 0.0006 -0.2025 0.4224 -0.0053 0.1568 -0.1138 -0.0863 -0.6010 0.1536 0.1111 0.0619 -0.0968 -0.0174 0.3247 -0.0469 -0.1085 0.0175 0.2641 -0.0455 -0.3539 0.0675 -0.0253 0.0139 -0.0139 -0.0197 -0.0051 0.0019 -0.0454 0.0008 -0.0065 689. (0.00010) RY ( 5) H 13 s( 5.67%)p13.96( 79.21%)d 1.95( 11.08%) f 0.71( 4.03%) 0.0157 0.0012 0.2376 0.0075 -0.0734 0.5264 -0.0268 -0.2113 -0.5285 -0.0688 -0.0865 0.4150 -0.0230 -0.0974 -0.0261 -0.2929 -0.0597 -0.0589 -0.0226 -0.0006 -0.0520 0.0674 -0.0075 -0.0498 0.0729 0.0272 0.1297 0.0817 0.0738 0.0535 690. (0.00006) RY ( 6) H 13 s( 14.83%)p 2.42( 35.86%)d 3.19( 47.34%) f 0.13( 1.97%) 691. (0.00003) RY ( 7) H 13 s( 2.56%)p30.55( 78.24%)d 5.95( 15.25%) f 1.54( 3.95%) 692. (0.00002) RY ( 8) H 13 s( 6.45%)p 6.13( 39.55%)d 8.10( 52.25%) f 0.27( 1.75%) 693. (0.00001) RY ( 9) H 13 s( 8.24%)p 5.26( 43.31%)d 5.59( 46.08%) f 0.29( 2.37%) 694. (0.00001) RY (10) H 13 s( 1.24%)p35.27( 43.67%)d10.22( 12.66%) f34.26( 42.43%) 695. (0.00001) RY (11) H 13 s( 2.62%)p 6.63( 17.39%)d28.60( 75.04%) f 1.88( 4.95%) 696. (0.00001) RY (12) H 13 s( 2.59%)p 4.33( 11.23%)d31.09( 80.53%) f 2.18( 5.66%) 697. (0.00000) RY (13) H 13 s( 0.47%)p15.12( 7.06%)d27.69( 12.92%) f99.99( 79.56%) 698. (0.00000) RY (14) H 13 s( 0.28%)p70.12( 19.43%)d99.99( 28.45%) f99.99( 51.85%) 699. (0.00000) RY (15) H 13 s( 0.30%)p25.72( 7.60%)d86.70( 25.62%) f99.99( 66.49%) 700. (0.00000) RY (16) H 13 s( 1.71%)p27.41( 47.00%)d 5.60( 9.60%) f24.32( 41.69%) 701. (0.00000) RY (17) H 13 s( 13.63%)p 3.44( 46.87%)d 1.27( 17.32%) f 1.63( 22.18%) 702. (0.00000) RY (18) H 13 s( 9.56%)p 4.14( 39.61%)d 3.62( 34.61%) f 1.70( 16.22%) 703. (0.00000) RY (19) H 13 s( 50.08%)p 0.49( 24.57%)d 0.38( 18.79%) f 0.13( 6.57%) 704. (0.00000) RY (20) H 13 s( 10.22%)p 3.81( 38.99%)d 3.83( 39.15%) f 1.14( 11.64%) 705. (0.00000) RY (21) H 13 s( 0.00%)p 1.00( 0.46%)d99.99( 95.84%) f 8.06( 3.69%) 706. (0.00000) RY (22) H 13 s( 0.13%)p39.18( 5.11%)d99.99( 41.13%) f99.99( 53.62%) 707. (0.00000) RY (23) H 13 s( 0.18%)p24.73( 4.48%)d99.99( 63.21%) f99.99( 32.13%) 708. (0.00000) RY (24) H 13 s( 0.02%)p99.99( 12.52%)d99.99( 48.13%) f99.99( 39.34%) 709. (0.00000) RY (25) H 13 s( 0.16%)p75.43( 11.83%)d99.99( 71.76%) f99.99( 16.25%) 710. (0.00000) RY (26) H 13 s( 0.00%)p 1.00( 12.57%)d 3.13( 39.32%) f 3.83( 48.11%) 711. (0.00000) RY (27) H 13 s( 0.08%)p99.99( 44.90%)d99.99( 21.66%) f99.99( 33.36%) 712. (0.00000) RY (28) H 13 s( 0.01%)p99.99( 19.44%)d99.99( 6.51%) f99.99( 74.03%) 713. (0.00000) RY (29) H 13 s( 0.11%)p99.99( 37.33%)d99.99( 28.96%) f99.99( 33.60%) 714. (0.00051) RY ( 1) H 14 s( 86.99%)p 0.10( 8.78%)d 0.04( 3.82%) f 0.00( 0.41%) 0.0018 0.9319 0.0397 -0.0002 0.0126 -0.1109 0.0256 0.0478 0.0973 -0.0044 0.0140 0.2385 -0.0763 -0.0966 0.0017 0.0286 0.0028 -0.0214 0.0093 -0.0763 0.0033 -0.1471 -0.0057 0.0346 -0.0359 -0.0055 -0.0212 -0.0287 0.0125 0.0108 715. (0.00039) RY ( 2) H 14 s( 7.39%)p 8.45( 62.44%)d 3.76( 27.79%) f 0.32( 2.38%) -0.0009 -0.0692 0.2629 -0.0006 0.6104 0.1710 -0.1151 0.2880 0.2055 -0.0364 0.2763 0.0731 -0.0334 0.0086 0.0063 -0.4174 0.0470 -0.1365 0.0155 0.1783 -0.0242 -0.2201 0.0410 0.0749 0.0897 0.0594 -0.0742 -0.0302 0.0127 -0.0055 716. (0.00033) RY ( 3) H 14 s( 40.86%)p 0.99( 40.55%)d 0.44( 17.89%) f 0.02( 0.70%) -0.0077 -0.0707 0.6337 -0.0446 -0.2643 -0.2610 -0.0004 -0.0375 0.4801 0.1150 0.0972 -0.1139 0.0021 -0.1540 0.0320 -0.0374 -0.0062 0.3738 -0.0675 -0.0443 0.0147 0.0711 0.0355 -0.0778 -0.0147 -0.0153 -0.0001 -0.0207 0.0012 0.0102 717. (0.00019) RY ( 4) H 14 s( 25.21%)p 1.13( 28.36%)d 1.83( 46.10%) f 0.01( 0.32%) -0.0008 0.0355 0.4938 0.0836 -0.1940 0.0979 0.0534 0.4156 -0.1610 -0.1314 -0.0503 -0.0836 0.0903 0.1731 -0.0367 0.2318 -0.0501 -0.5618 0.0744 -0.1277 0.0027 0.1899 -0.0034 -0.0418 0.0056 0.0242 0.0284 -0.0050 0.0024 -0.0047 718. (0.00016) RY ( 5) H 14 s( 19.56%)p 3.85( 75.37%)d 0.22( 4.35%) f 0.04( 0.73%) -0.0006 -0.0076 0.4420 0.0119 0.1640 0.1594 0.0388 -0.6043 -0.4906 -0.0894 0.2164 0.1965 0.0242 -0.1515 -0.0112 0.0475 -0.0167 0.0194 0.0211 -0.1215 0.0011 -0.0477 0.0021 0.0070 -0.0158 -0.0763 -0.0051 0.0336 0.0011 -0.0046 719. (0.00004) RY ( 6) H 14 s( 9.84%)p 6.37( 62.72%)d 2.09( 20.56%) f 0.70( 6.87%) 720. (0.00003) RY ( 7) H 14 s( 0.69%)p67.30( 46.65%)d73.69( 51.07%) f 2.29( 1.59%) 721. (0.00001) RY ( 8) H 14 s( 4.42%)p13.10( 57.96%)d 5.75( 25.45%) f 2.75( 12.16%) 722. (0.00001) RY ( 9) H 14 s( 6.90%)p 5.95( 41.02%)d 5.51( 37.96%) f 2.05( 14.12%) 723. (0.00001) RY (10) H 14 s( 1.79%)p 8.42( 15.07%)d36.27( 64.91%) f10.19( 18.23%) 724. (0.00000) RY (11) H 14 s( 1.15%)p21.97( 25.19%)d59.76( 68.52%) f 4.49( 5.15%) 725. (0.00000) RY (12) H 14 s( 32.99%)p 1.29( 42.69%)d 0.65( 21.55%) f 0.08( 2.77%) 726. (0.00000) RY (13) H 14 s( 0.74%)p30.10( 22.39%)d43.65( 32.46%) f59.71( 44.41%) 727. (0.00000) RY (14) H 14 s( 1.58%)p26.29( 41.50%)d12.79( 20.19%) f23.27( 36.73%) 728. (0.00000) RY (15) H 14 s( 0.35%)p57.79( 20.29%)d94.89( 33.32%) f99.99( 46.04%) 729. (0.00000) RY (16) H 14 s( 5.10%)p 3.88( 19.78%)d 1.24( 6.34%) f13.49( 68.79%) 730. (0.00000) RY (17) H 14 s( 11.54%)p 1.63( 18.80%)d 0.66( 7.60%) f 5.38( 62.06%) 731. (0.00000) RY (18) H 14 s( 0.73%)p75.24( 54.68%)d10.82( 7.87%) f50.54( 36.73%) 732. (0.00000) RY (19) H 14 s( 21.39%)p 1.37( 29.38%)d 1.50( 32.14%) f 0.80( 17.09%) 733. (0.00000) RY (20) H 14 s( 4.12%)p 9.52( 39.19%)d12.08( 49.74%) f 1.69( 6.95%) 734. (0.00000) RY (21) H 14 s( 16.35%)p 2.22( 36.31%)d 2.31( 37.83%) f 0.58( 9.52%) 735. (0.00000) RY (22) H 14 s( 0.02%)p38.99( 0.76%)d99.99( 89.00%) f99.99( 10.22%) 736. (0.00000) RY (23) H 14 s( 0.03%)p82.49( 2.12%)d99.99( 93.75%) f99.99( 4.11%) 737. (0.00000) RY (24) H 14 s( 0.04%)p99.99( 8.61%)d99.99( 26.32%) f99.99( 65.02%) 738. (0.00000) RY (25) H 14 s( 0.05%)p99.99( 15.73%)d99.99( 44.41%) f99.99( 39.80%) 739. (0.00000) RY (26) H 14 s( 0.13%)p99.99( 13.97%)d99.99( 52.39%) f99.99( 33.52%) 740. (0.00000) RY (27) H 14 s( 0.08%)p99.99( 10.21%)d99.99( 31.54%) f99.99( 58.17%) 741. (0.00000) RY (28) H 14 s( 0.02%)p99.99( 11.20%)d99.99( 6.98%) f99.99( 81.79%) 742. (0.00000) RY (29) H 14 s( 0.05%)p99.99( 48.21%)d99.99( 38.13%) f99.99( 13.61%) 743. (0.00056) RY ( 1) H 15 s( 88.08%)p 0.10( 9.09%)d 0.03( 2.48%) f 0.00( 0.35%) -0.0003 0.9384 0.0122 0.0023 -0.0268 -0.2605 0.0364 -0.0510 -0.1287 0.0059 0.0362 0.0214 0.0005 -0.1242 -0.0162 0.0337 0.0013 -0.0256 0.0025 -0.0820 -0.0021 -0.0212 0.0113 -0.0045 0.0508 0.0178 -0.0056 0.0153 -0.0040 -0.0175 744. (0.00050) RY ( 2) H 15 s( 0.09%)p99.99( 74.61%)d99.99( 23.61%) f18.62( 1.69%) 0.0002 0.0254 0.0157 0.0041 0.0494 0.0083 -0.0022 -0.1853 -0.0713 0.0146 -0.7830 -0.2934 0.0687 -0.0910 0.0135 -0.4326 0.0688 -0.1765 0.0187 0.0626 -0.0087 0.0179 0.0013 0.0835 0.0073 0.0179 -0.0653 -0.0681 0.0232 -0.0113 745. (0.00035) RY ( 3) H 15 s( 16.81%)p 3.06( 51.46%)d 1.88( 31.54%) f 0.01( 0.19%) -0.0056 -0.0653 0.4004 -0.0589 0.1270 -0.0839 -0.0285 -0.6547 0.1628 0.0858 0.1630 -0.0333 -0.0204 -0.3747 0.0758 0.1204 -0.0215 0.0287 -0.0019 0.3761 -0.0517 -0.0955 0.0150 -0.0071 0.0183 0.0145 -0.0100 0.0131 0.0097 0.0312 746. (0.00018) RY ( 4) H 15 s( 67.90%)p 0.30( 20.36%)d 0.16( 11.15%) f 0.01( 0.59%) -0.0048 0.0295 0.8225 0.0404 -0.3030 0.0257 -0.0388 0.2468 0.2019 -0.0442 -0.0627 -0.0437 0.0083 0.1375 0.0135 -0.0300 0.0045 -0.0966 0.0044 -0.2521 0.0705 -0.1121 -0.0331 0.0081 -0.0186 -0.0253 -0.0074 -0.0011 -0.0167 0.0671 747. (0.00010) RY ( 5) H 15 s( 5.31%)p13.63( 72.37%)d 4.00( 21.22%) f 0.21( 1.10%) 748. (0.00004) RY ( 6) H 15 s( 10.46%)p 6.65( 69.55%)d 1.35( 14.12%) f 0.56( 5.88%) 749. (0.00002) RY ( 7) H 15 s( 0.32%)p99.99( 50.13%)d99.99( 49.13%) f 1.29( 0.42%) 750. (0.00001) RY ( 8) H 15 s( 0.66%)p67.85( 44.75%)d28.15( 18.57%) f54.60( 36.02%) 751. (0.00001) RY ( 9) H 15 s( 5.12%)p13.51( 69.19%)d 4.68( 23.98%) f 0.33( 1.71%) 752. (0.00001) RY (10) H 15 s( 1.56%)p 3.24( 5.05%)d57.26( 89.23%) f 2.67( 4.16%) 753. (0.00000) RY (11) H 15 s( 0.90%)p32.39( 29.07%)d73.85( 66.29%) f 4.17( 3.74%) 754. (0.00001) RY (12) H 15 s( 9.73%)p 4.74( 46.14%)d 3.88( 37.76%) f 0.65( 6.36%) 755. (0.00000) RY (13) H 15 s( 14.74%)p 2.18( 32.16%)d 2.98( 43.89%) f 0.62( 9.21%) 756. (0.00000) RY (14) H 15 s( 1.20%)p27.33( 32.72%)d17.30( 20.71%) f37.89( 45.37%) 757. (0.00000) RY (15) H 15 s( 0.94%)p 4.93( 4.64%)d36.32( 34.14%) f64.11( 60.28%) 758. (0.00000) RY (16) H 15 s( 0.94%)p51.95( 48.69%)d11.27( 10.56%) f42.48( 39.81%) 759. (0.00000) RY (17) H 15 s( 17.08%)p 0.61( 10.42%)d 1.14( 19.45%) f 3.11( 53.05%) 760. (0.00000) RY (18) H 15 s( 45.42%)p 0.24( 10.85%)d 0.66( 30.04%) f 0.30( 13.69%) 761. (0.00000) RY (19) H 15 s( 9.01%)p 4.74( 42.67%)d 3.13( 28.19%) f 2.24( 20.13%) 762. (0.00000) RY (20) H 15 s( 1.45%)p35.42( 51.33%)d 8.17( 11.83%) f24.42( 35.39%) 763. (0.00000) RY (21) H 15 s( 0.09%)p67.25( 5.91%)d99.99( 75.49%) f99.99( 18.52%) 764. (0.00000) RY (22) H 15 s( 0.03%)p99.99( 3.59%)d99.99( 84.08%) f99.99( 12.29%) 765. (0.00000) RY (23) H 15 s( 0.21%)p93.34( 19.64%)d99.99( 55.46%) f99.99( 24.69%) 766. (0.00000) RY (24) H 15 s( 0.01%)p99.99( 38.05%)d99.99( 18.08%) f99.99( 43.86%) 767. (0.00000) RY (25) H 15 s( 0.13%)p97.94( 12.61%)d99.99( 21.23%) f99.99( 66.03%) 768. (0.00000) RY (26) H 15 s( 0.29%)p42.58( 12.23%)d99.99( 35.42%) f99.99( 52.06%) 769. (0.00000) RY (27) H 15 s( 1.01%)p 8.04( 8.10%)d25.64( 25.82%) f64.61( 65.07%) 770. (0.00000) RY (28) H 15 s( 0.22%)p67.53( 14.95%)d99.99( 47.71%) f99.99( 37.13%) 771. (0.00000) RY (29) H 15 s( 0.42%)p23.00( 9.59%)d99.99( 48.79%) f98.88( 41.21%) 772. (0.00050) RY ( 1) H 16 s( 86.86%)p 0.09( 8.23%)d 0.05( 4.47%) f 0.01( 0.44%) 0.0033 0.9320 -0.0027 0.0043 0.0385 -0.0434 0.0241 0.0195 -0.1260 0.0053 0.0110 -0.2357 0.0801 -0.0806 -0.0015 -0.0028 0.0014 -0.0829 -0.0239 -0.0772 0.0112 -0.1569 0.0021 -0.0310 -0.0312 -0.0327 0.0328 0.0071 0.0006 0.0177 773. (0.00040) RY ( 2) H 16 s( 2.27%)p29.16( 66.23%)d12.77( 29.00%) f 1.10( 2.50%) -0.0006 -0.0450 0.1438 0.0015 0.6806 0.2101 -0.1129 0.1752 0.1076 -0.0279 -0.2904 -0.1173 0.0320 0.1857 -0.0158 0.4316 -0.0555 0.0649 -0.0052 0.0723 -0.0145 -0.2344 0.0353 -0.0949 0.0898 0.0072 0.0289 0.0804 -0.0221 0.0102 774. (0.00028) RY ( 3) H 16 s( 32.16%)p 1.52( 48.81%)d 0.57( 18.46%) f 0.02( 0.57%) -0.0081 0.0523 0.5633 -0.0384 -0.1537 -0.2666 -0.0173 -0.0194 0.5598 0.1271 -0.1690 -0.1824 -0.0362 -0.0871 0.0223 0.1162 -0.0165 -0.2850 0.0830 0.0884 -0.0172 0.2577 -0.0117 0.0238 -0.0397 0.0550 -0.0033 0.0141 -0.0110 0.0149 775. (0.00020) RY ( 4) H 16 s( 17.19%)p 2.35( 40.34%)d 2.45( 42.06%) f 0.02( 0.42%) -0.0016 0.0188 0.4068 0.0776 -0.2269 0.0314 0.0422 0.5366 0.0327 -0.1276 -0.1698 0.1199 -0.0256 0.0362 -0.0057 -0.2529 0.0479 0.4531 -0.0461 -0.2929 0.0211 -0.2378 0.0526 -0.0007 -0.0082 0.0364 -0.0463 0.0067 0.0032 -0.0239 776. (0.00015) RY ( 5) H 16 s( 37.27%)p 1.52( 56.57%)d 0.15( 5.57%) f 0.02( 0.59%) -0.0024 -0.0651 0.6070 -0.0085 0.1220 0.1911 0.0529 -0.5333 -0.4600 -0.1020 -0.0449 0.0531 -0.0148 -0.1506 0.0011 -0.0713 0.0329 -0.0378 -0.0101 -0.1535 0.0087 -0.0271 0.0315 0.0632 -0.0028 -0.0173 0.0340 -0.0178 0.0092 0.0061 777. (0.00004) RY ( 6) H 16 s( 11.65%)p 4.95( 57.66%)d 2.05( 23.83%) f 0.59( 6.85%) 778. (0.00002) RY ( 7) H 16 s( 1.28%)p36.57( 46.80%)d39.56( 50.62%) f 1.02( 1.30%) 779. (0.00001) RY ( 8) H 16 s( 6.56%)p 9.82( 64.40%)d 2.45( 16.05%) f 1.98( 12.99%) 780. (0.00001) RY ( 9) H 16 s( 5.85%)p 7.24( 42.41%)d 6.52( 38.19%) f 2.31( 13.55%) 781. (0.00001) RY (10) H 16 s( 1.88%)p 7.41( 13.92%)d38.93( 73.18%) f 5.86( 11.02%) 782. (0.00001) RY (11) H 16 s( 0.76%)p31.00( 23.59%)d87.40( 66.51%) f12.01( 9.14%) 783. (0.00000) RY (12) H 16 s( 35.78%)p 1.09( 39.15%)d 0.42( 15.05%) f 0.28( 10.02%) 784. (0.00000) RY (13) H 16 s( 0.32%)p99.99( 32.71%)d75.71( 23.94%) f99.99( 43.03%) 785. (0.00000) RY (14) H 16 s( 0.11%)p99.99( 39.07%)d99.99( 29.38%) f99.99( 31.44%) 786. (0.00000) RY (15) H 16 s( 1.64%)p 3.18( 5.22%)d 8.01( 13.14%) f48.80( 80.00%) 787. (0.00000) RY (16) H 16 s( 6.96%)p 1.37( 9.53%)d 2.32( 16.16%) f 9.67( 67.35%) 788. (0.00000) RY (17) H 16 s( 7.29%)p 6.14( 44.76%)d 2.37( 17.29%) f 4.21( 30.67%) 789. (0.00000) RY (18) H 16 s( 10.59%)p 3.42( 36.23%)d 3.67( 38.83%) f 1.35( 14.35%) 790. (0.00000) RY (19) H 16 s( 20.31%)p 1.92( 38.99%)d 1.50( 30.45%) f 0.50( 10.25%) 791. (0.00000) RY (20) H 16 s( 11.71%)p 3.88( 45.38%)d 3.23( 37.78%) f 0.44( 5.13%) 792. (0.00000) RY (21) H 16 s( 0.01%)p34.73( 0.52%)d99.99( 94.04%) f99.99( 5.43%) 793. (0.00000) RY (22) H 16 s( 0.09%)p 8.85( 0.81%)d99.99( 76.29%) f99.99( 22.81%) 794. (0.00000) RY (23) H 16 s( 0.03%)p99.99( 10.16%)d99.99( 43.42%) f99.99( 46.38%) 795. (0.00000) RY (24) H 16 s( 0.20%)p68.45( 13.90%)d99.99( 46.79%) f99.99( 39.11%) 796. (0.00000) RY (25) H 16 s( 0.06%)p99.99( 19.84%)d99.99( 37.59%) f99.99( 42.51%) 797. (0.00000) RY (26) H 16 s( 0.31%)p 5.20( 1.63%)d61.10( 19.19%) f99.99( 78.87%) 798. (0.00000) RY (27) H 16 s( 0.03%)p99.99( 18.12%)d99.99( 28.55%) f99.99( 53.29%) 799. (0.00000) RY (28) H 16 s( 0.08%)p99.99( 37.30%)d99.99( 40.04%) f99.99( 22.58%) 800. (0.00000) RY (29) H 16 s( 0.85%)p44.18( 37.65%)d28.30( 24.12%) f43.87( 37.38%) 801. (0.00207) RY ( 1) H 17 s( 86.65%)p 0.15( 13.11%)d 0.00( 0.24%) f 0.00( 0.01%) 0.0028 0.9307 0.0174 0.0019 -0.3079 -0.0680 -0.0549 -0.1584 -0.0345 0.0127 -0.0148 -0.0442 -0.0060 0.0412 -0.0085 -0.0038 0.0019 -0.0052 -0.0026 0.0176 -0.0107 0.0100 0.0025 0.0040 -0.0009 -0.0003 -0.0017 0.0059 0.0022 0.0041 802. (0.00054) RY ( 2) H 17 s( 1.68%)p44.66( 74.95%)d12.80( 21.48%) f 1.13( 1.89%) 0.0011 0.0355 0.1242 0.0097 -0.0490 -0.0223 0.0049 0.1287 0.0966 -0.0193 0.8003 0.2753 -0.0636 -0.0780 0.0099 -0.4172 0.0541 0.1670 -0.0254 -0.0158 0.0019 -0.0522 0.0090 -0.0852 0.0248 -0.0233 0.0800 -0.0581 0.0196 0.0182 803. (0.00049) RY ( 3) H 17 s( 83.21%)p 0.15( 12.43%)d 0.05( 4.03%) f 0.00( 0.33%) 0.0007 -0.1095 0.9056 0.0015 -0.1576 -0.2432 0.0392 -0.1420 0.0658 -0.0542 -0.0720 -0.0749 0.0233 -0.0772 0.0114 0.0856 -0.0108 0.0388 0.0009 0.1531 0.0031 0.0421 -0.0045 0.0218 0.0413 -0.0089 -0.0058 0.0269 -0.0161 -0.0033 804. (0.00032) RY ( 4) H 17 s( 6.53%)p 8.08( 52.78%)d 6.20( 40.50%) f 0.03( 0.19%) -0.0009 0.1723 0.1609 -0.0986 0.1606 -0.0788 -0.0870 0.6465 -0.2246 -0.0704 -0.1152 0.0385 0.0078 -0.4874 0.0786 0.0710 -0.0128 -0.1026 0.0191 -0.3739 0.0576 -0.0396 0.0220 -0.0035 -0.0290 -0.0069 0.0025 -0.0144 0.0086 0.0260 805. (0.00008) RY ( 5) H 17 s( 8.34%)p 8.89( 74.16%)d 1.50( 12.54%) f 0.59( 4.96%) 806. (0.00005) RY ( 6) H 17 s( 0.06%)p99.99( 47.81%)d99.99( 49.21%) f49.12( 2.92%) 807. (0.00004) RY ( 7) H 17 s( 3.18%)p26.27( 83.53%)d 2.92( 9.29%) f 1.26( 4.00%) 808. (0.00002) RY ( 8) H 17 s( 25.10%)p 1.31( 32.96%)d 1.59( 39.95%) f 0.08( 1.98%) 809. (0.00002) RY ( 9) H 17 s( 19.34%)p 2.34( 45.17%)d 1.75( 33.80%) f 0.09( 1.69%) 810. (0.00002) RY (10) H 17 s( 0.25%)p99.99( 60.59%)d83.38( 20.92%) f72.68( 18.24%) 811. (0.00001) RY (11) H 17 s( 32.29%)p 0.47( 15.21%)d 1.56( 50.50%) f 0.06( 2.00%) 812. (0.00000) RY (12) H 17 s( 1.77%)p25.99( 45.98%)d21.35( 37.78%) f 8.18( 14.47%) 813. (0.00000) RY (13) H 17 s( 21.32%)p 1.41( 30.05%)d 2.05( 43.66%) f 0.23( 4.96%) 814. (0.00001) RY (14) H 17 s( 4.48%)p 2.78( 12.43%)d13.90( 62.23%) f 4.66( 20.86%) 815. (0.00000) RY (15) H 17 s( 0.16%)p19.30( 3.11%)d94.82( 15.26%) f99.99( 81.47%) 816. (0.00000) RY (16) H 17 s( 0.03%)p99.99( 31.01%)d99.99( 21.57%) f99.99( 47.39%) 817. (0.00000) RY (17) H 17 s( 3.47%)p 0.87( 3.02%)d 5.40( 18.73%) f21.56( 74.78%) 818. (0.00000) RY (18) H 17 s( 0.59%)p76.13( 44.58%)d62.37( 36.53%) f31.25( 18.30%) 819. (0.00000) RY (19) H 17 s( 0.95%)p39.37( 37.38%)d41.31( 39.23%) f23.63( 22.44%) 820. (0.00000) RY (20) H 17 s( 0.01%)p 1.00( 1.61%)d52.33( 84.09%) f 8.89( 14.29%) 821. (0.00000) RY (21) H 17 s( 0.00%)p 1.00( 2.07%)d29.64( 61.42%) f17.62( 36.51%) 822. (0.00000) RY (22) H 17 s( 0.07%)p33.97( 2.28%)d99.99( 17.76%) f99.99( 79.89%) 823. (0.00000) RY (23) H 17 s( 0.11%)p29.03( 3.31%)d52.37( 5.98%) f99.99( 90.59%) 824. (0.00000) RY (24) H 17 s( 0.14%)p99.99( 17.92%)d99.99( 65.37%) f99.99( 16.57%) 825. (0.00000) RY (25) H 17 s( 0.20%)p99.85( 20.34%)d99.99( 44.03%) f99.99( 35.43%) 826. (0.00000) RY (26) H 17 s( 0.03%)p99.99( 43.77%)d99.99( 22.05%) f99.99( 34.14%) 827. (0.00000) RY (27) H 17 s( 0.06%)p99.99( 59.36%)d99.99( 25.94%) f99.99( 14.64%) 828. (0.00000) RY (28) H 17 s( 0.02%)p99.99( 14.56%)d99.99( 65.12%) f99.99( 20.31%) 829. (0.00000) RY (29) H 17 s( 0.06%)p99.99( 14.41%)d99.99( 50.78%) f99.99( 34.75%) 830. (0.00063) RY ( 1) H 18 s( 84.67%)p 0.13( 11.33%)d 0.04( 3.69%) f 0.00( 0.30%) -0.0039 0.9199 -0.0198 -0.0059 0.2453 0.0053 0.0068 -0.0119 -0.0578 -0.0615 -0.0584 0.2006 -0.0465 -0.0571 0.0010 0.0477 -0.0262 0.1307 -0.0193 0.0225 0.0143 0.1114 0.0115 0.0393 -0.0267 0.0183 -0.0129 0.0104 -0.0049 -0.0119 831. (0.00047) RY ( 2) H 18 s( 7.42%)p 9.49( 70.43%)d 2.72( 20.18%) f 0.26( 1.96%) -0.0026 0.2054 0.1779 0.0185 -0.6991 -0.3018 0.0534 0.1913 0.1401 -0.0221 -0.2542 0.0149 0.0039 -0.1933 0.0266 -0.3264 0.0388 0.0495 -0.0014 0.1003 -0.0106 -0.2040 0.0387 -0.0846 -0.0856 0.0059 0.0274 -0.0644 0.0139 0.0045 832. (0.00028) RY ( 3) H 18 s( 30.14%)p 1.52( 45.74%)d 0.78( 23.48%) f 0.02( 0.64%) 0.0040 0.0415 0.5469 0.0227 -0.1436 -0.0071 -0.0146 -0.4604 0.2183 0.0674 0.3502 0.2168 -0.0525 0.0197 -0.0127 -0.0167 0.0070 -0.3239 0.0433 0.1907 -0.0304 0.2960 -0.0472 0.0328 -0.0182 -0.0054 -0.0297 0.0555 0.0041 -0.0306 833. (0.00020) RY ( 4) H 18 s( 48.39%)p 0.66( 31.97%)d 0.40( 19.47%) f 0.00( 0.18%) 0.0043 -0.0907 0.6884 -0.0411 0.2155 -0.0349 -0.0621 0.5031 0.0952 -0.0378 0.0467 0.0292 0.0388 -0.0666 -0.0028 0.2549 -0.0167 0.3270 -0.0528 -0.1106 0.0228 -0.0489 -0.0094 -0.0019 0.0206 0.0113 -0.0353 -0.0042 -0.0029 -0.0023 834. (0.00012) RY ( 5) H 18 s( 2.66%)p31.71( 84.29%)d 4.33( 11.51%) f 0.58( 1.54%) 0.0089 0.1499 -0.0544 -0.0329 0.0608 0.5278 0.0956 0.2401 0.6236 0.1208 -0.0224 -0.2994 -0.0143 -0.0877 0.0189 -0.0566 0.0449 -0.2950 0.0315 0.0411 -0.0319 -0.1000 -0.0327 -0.0798 0.0758 0.0052 -0.0427 0.0228 0.0144 -0.0272 835. (0.00005) RY ( 6) H 18 s( 3.78%)p16.60( 62.80%)d 7.70( 29.13%) f 1.14( 4.30%) 836. (0.00003) RY ( 7) H 18 s( 20.67%)p 2.42( 49.97%)d 1.26( 26.12%) f 0.16( 3.24%) 837. (0.00001) RY ( 8) H 18 s( 9.78%)p 4.38( 42.82%)d 4.12( 40.32%) f 0.72( 7.08%) 838. (0.00001) RY ( 9) H 18 s( 7.18%)p 6.11( 43.87%)d 4.98( 35.77%) f 1.84( 13.18%) 839. (0.00001) RY (10) H 18 s( 1.08%)p38.51( 41.45%)d25.05( 26.97%) f28.33( 30.50%) 840. (0.00001) RY (11) H 18 s( 2.48%)p 3.80( 9.43%)d32.21( 79.95%) f 3.28( 8.14%) 841. (0.00000) RY (12) H 18 s( 0.74%)p54.57( 40.64%)d72.82( 54.24%) f 5.88( 4.38%) 842. (0.00000) RY (13) H 18 s( 0.22%)p66.83( 15.00%)d99.99( 24.39%) f99.99( 60.39%) 843. (0.00000) RY (14) H 18 s( 0.84%)p22.78( 19.09%)d15.67( 13.14%) f79.86( 66.93%) 844. (0.00000) RY (15) H 18 s( 2.02%)p 9.90( 20.01%)d20.13( 40.69%) f18.44( 37.28%) 845. (0.00000) RY (16) H 18 s( 0.67%)p30.36( 20.48%)d 7.11( 4.80%) f99.99( 74.05%) 846. (0.00000) RY (17) H 18 s( 15.39%)p 1.63( 25.00%)d 3.45( 53.01%) f 0.43( 6.60%) 847. (0.00000) RY (18) H 18 s( 3.13%)p12.01( 37.63%)d15.35( 48.09%) f 3.56( 11.15%) 848. (0.00000) RY (19) H 18 s( 2.69%)p20.39( 54.75%)d 4.08( 10.94%) f11.78( 31.62%) 849. (0.00000) RY (20) H 18 s( 55.15%)p 0.30( 16.63%)d 0.38( 20.95%) f 0.13( 7.27%) 850. (0.00000) RY (21) H 18 s( 0.00%)p 1.00( 0.80%)d99.99( 97.08%) f 2.64( 2.11%) 851. (0.00000) RY (22) H 18 s( 0.01%)p 1.00( 3.94%)d19.98( 78.76%) f 4.39( 17.29%) 852. (0.00000) RY (23) H 18 s( 0.04%)p99.99( 7.60%)d99.99( 51.92%) f99.99( 40.43%) 853. (0.00000) RY (24) H 18 s( 0.20%)p99.99( 33.68%)d99.99( 30.31%) f99.99( 35.81%) 854. (0.00000) RY (25) H 18 s( 0.12%)p89.05( 10.98%)d99.99( 29.14%) f99.99( 59.75%) 855. (0.00000) RY (26) H 18 s( 0.04%)p99.99( 28.59%)d99.99( 47.98%) f99.99( 23.39%) 856. (0.00000) RY (27) H 18 s( 0.24%)p47.96( 11.67%)d68.80( 16.74%) f99.99( 71.35%) 857. (0.00000) RY (28) H 18 s( 0.21%)p99.99( 42.38%)d99.99( 27.87%) f99.99( 29.55%) 858. (0.00000) RY (29) H 18 s( 0.16%)p99.99( 16.92%)d99.99( 33.36%) f99.99( 49.57%) 859. (0.00051) RY ( 1) H 19 s( 86.72%)p 0.11( 9.53%)d 0.04( 3.33%) f 0.00( 0.42%) 0.0013 0.9312 0.0029 0.0006 0.0075 -0.2153 0.0518 0.0462 0.0582 -0.0137 -0.0068 -0.1972 0.0394 0.1384 0.0015 -0.0604 -0.0078 0.0098 0.0088 -0.0629 0.0022 -0.0793 -0.0005 0.0374 -0.0280 0.0262 -0.0262 0.0204 -0.0081 -0.0134 860. (0.00042) RY ( 2) H 19 s( 0.03%)p99.99( 72.02%)d99.99( 25.64%) f67.80( 2.31%) 0.0021 0.0128 0.0059 0.0118 0.3957 0.1617 -0.0472 -0.3928 -0.1100 0.0543 -0.5591 -0.2178 0.0765 -0.2489 0.0367 -0.1135 0.0180 -0.0821 0.0182 0.0973 -0.0191 -0.3993 0.0596 -0.0739 -0.1087 0.0317 0.0017 -0.0459 0.0084 -0.0516 861. (0.00025) RY ( 3) H 19 s( 28.22%)p 1.40( 39.62%)d 1.12( 31.60%) f 0.02( 0.56%) -0.0098 -0.0599 0.5229 -0.0716 0.0893 -0.1399 -0.0804 0.4903 -0.1841 -0.0749 -0.2833 0.0321 0.0312 0.2479 -0.0531 0.2085 0.0122 0.2533 -0.0558 0.3142 -0.0361 -0.1976 0.0420 0.0097 0.0175 0.0057 0.0519 -0.0222 0.0184 -0.0408 862. (0.00016) RY ( 4) H 19 s( 55.67%)p 0.32( 17.83%)d 0.47( 26.04%) f 0.01( 0.45%) -0.0059 0.0468 0.7401 0.0824 -0.2608 0.1515 0.0158 -0.1679 0.1601 0.1368 -0.0637 0.0590 -0.0837 -0.0684 0.0261 -0.0298 0.0676 -0.3746 0.0256 -0.3215 0.0623 0.0362 -0.0092 0.0011 0.0536 -0.0155 0.0263 -0.0263 0.0038 -0.0034 863. (0.00014) RY ( 5) H 19 s( 2.44%)p37.21( 90.92%)d 2.35( 5.75%) f 0.36( 0.89%) -0.0035 0.0978 0.0804 -0.0916 -0.3450 -0.2257 -0.0991 -0.4679 -0.6734 -0.1516 0.0518 0.1765 0.0093 -0.1024 -0.0370 0.1028 0.0135 0.0899 -0.0384 0.1333 -0.0130 0.0853 0.0097 -0.0198 0.0410 -0.0305 -0.0040 -0.0683 -0.0216 -0.0271 864. (0.00003) RY ( 6) H 19 s( 10.37%)p 5.91( 61.29%)d 2.39( 24.81%) f 0.34( 3.54%) 865. (0.00002) RY ( 7) H 19 s( 4.42%)p13.14( 58.03%)d 8.25( 36.45%) f 0.25( 1.11%) 866. (0.00001) RY ( 8) H 19 s( 0.76%)p44.49( 34.01%)d43.35( 33.15%) f41.95( 32.08%) 867. (0.00001) RY ( 9) H 19 s( 2.31%)p19.65( 45.41%)d22.29( 51.53%) f 0.32( 0.75%) 868. (0.00001) RY (10) H 19 s( 4.35%)p 4.97( 21.64%)d14.11( 61.42%) f 2.89( 12.59%) 869. (0.00001) RY (11) H 19 s( 2.77%)p13.17( 36.48%)d19.83( 54.92%) f 2.11( 5.83%) 870. (0.00000) RY (12) H 19 s( 0.61%)p12.17( 7.38%)d62.33( 37.79%) f89.43( 54.23%) 871. (0.00000) RY (13) H 19 s( 0.12%)p20.66( 2.40%)d97.91( 11.36%) f99.99( 86.13%) 872. (0.00000) RY (14) H 19 s( 1.99%)p22.46( 44.69%)d10.33( 20.56%) f16.46( 32.76%) 873. (0.00000) RY (15) H 19 s( 3.24%)p 7.29( 23.64%)d 2.66( 8.61%) f19.91( 64.51%) 874. (0.00000) RY (16) H 19 s( 20.33%)p 1.19( 24.13%)d 1.21( 24.54%) f 1.52( 30.99%) 875. (0.00000) RY (17) H 19 s( 9.23%)p 2.78( 25.67%)d 2.13( 19.62%) f 4.93( 45.48%) 876. (0.00000) RY (18) H 19 s( 2.06%)p19.18( 39.50%)d12.47( 25.67%) f15.91( 32.77%) 877. (0.00000) RY (19) H 19 s( 4.71%)p 6.24( 29.37%)d12.74( 59.98%) f 1.26( 5.95%) 878. (0.00000) RY (20) H 19 s( 16.30%)p 3.10( 50.54%)d 1.85( 30.21%) f 0.18( 2.95%) 879. (0.00000) RY (21) H 19 s( 42.55%)p 0.73( 30.85%)d 0.47( 20.15%) f 0.15( 6.45%) 880. (0.00000) RY (22) H 19 s( 0.02%)p62.90( 1.11%)d99.99( 91.28%) f99.99( 7.59%) 881. (0.00000) RY (23) H 19 s( 0.03%)p99.99( 8.67%)d99.99( 65.17%) f99.99( 26.13%) 882. (0.00000) RY (24) H 19 s( 0.03%)p99.99( 19.14%)d99.99( 64.90%) f99.99( 15.93%) 883. (0.00000) RY (25) H 19 s( 0.12%)p70.06( 8.73%)d99.99( 68.39%) f99.99( 22.76%) 884. (0.00000) RY (26) H 19 s( 0.37%)p41.41( 15.42%)d72.25( 26.90%) f99.99( 57.31%) 885. (0.00000) RY (27) H 19 s( 0.16%)p90.22( 14.83%)d48.49( 7.97%) f99.99( 77.04%) 886. (0.00000) RY (28) H 19 s( 0.12%)p99.99( 32.12%)d99.99( 24.46%) f99.99( 43.30%) 887. (0.00000) RY (29) H 19 s( 0.06%)p99.99( 34.95%)d99.99( 37.79%) f99.99( 27.20%) 888. (0.00052) RY ( 1) H 20 s( 87.30%)p 0.11( 9.19%)d 0.04( 3.12%) f 0.00( 0.39%) 0.0011 0.9343 -0.0021 0.0001 -0.0092 -0.2149 0.0473 0.0251 0.1256 -0.0325 0.0081 0.1576 -0.0326 0.1425 0.0048 -0.0070 0.0039 -0.0900 -0.0040 -0.0304 0.0064 -0.0406 0.0068 -0.0459 -0.0090 -0.0103 0.0211 -0.0328 0.0097 -0.0020 889. (0.00042) RY ( 2) H 20 s( 0.02%)p99.99( 70.99%)d99.99( 26.64%) f99.99( 2.35%) 0.0020 -0.0042 -0.0072 0.0124 0.4199 0.1770 -0.0513 -0.0703 0.0207 0.0156 0.6574 0.2299 -0.0946 -0.1768 0.0256 0.1985 -0.0296 -0.2033 0.0236 0.1330 -0.0204 -0.3618 0.0573 0.0067 -0.1084 0.0791 -0.0253 -0.0370 0.0069 -0.0579 890. (0.00027) RY ( 3) H 20 s( 25.97%)p 1.59( 41.22%)d 1.25( 32.37%) f 0.02( 0.44%) -0.0091 -0.0492 0.5016 -0.0748 0.1271 -0.1272 -0.0757 0.5798 -0.1663 -0.0800 -0.0027 0.0610 0.0083 0.1237 -0.0476 -0.3087 0.0217 -0.1524 0.0449 0.4251 -0.0657 0.0062 -0.0052 0.0018 -0.0073 -0.0255 -0.0067 0.0258 0.0002 -0.0550 891. (0.00017) RY ( 4) H 20 s( 58.73%)p 0.36( 21.31%)d 0.33( 19.29%) f 0.01( 0.67%) -0.0067 0.0651 0.7609 0.0633 -0.3199 0.1167 -0.0183 -0.1901 -0.0509 0.1173 0.1802 -0.1064 0.0219 -0.0770 -0.0226 0.0553 -0.0704 0.0869 0.0158 -0.3777 0.0530 -0.1588 -0.0004 0.0329 0.0148 -0.0073 0.0004 0.0616 -0.0332 -0.0212 892. (0.00015) RY ( 5) H 20 s( 1.89%)p45.87( 86.67%)d 5.70( 10.78%) f 0.35( 0.67%) 0.0010 -0.0472 0.0599 0.1144 0.2531 0.2828 0.1028 0.4049 0.6838 0.1645 -0.1499 -0.1693 -0.0474 0.1453 0.0329 0.0449 -0.0242 -0.0281 -0.0220 -0.2587 0.0515 -0.1095 0.0129 -0.0231 0.0189 -0.0231 -0.0258 -0.0363 0.0556 0.0130 893. (0.00003) RY ( 6) H 20 s( 13.56%)p 4.42( 59.92%)d 1.65( 22.36%) f 0.31( 4.16%) 894. (0.00002) RY ( 7) H 20 s( 1.92%)p28.09( 53.89%)d22.60( 43.36%) f 0.43( 0.83%) 895. (0.00001) RY ( 8) H 20 s( 1.43%)p25.95( 37.06%)d19.10( 27.27%) f23.99( 34.25%) 896. (0.00001) RY ( 9) H 20 s( 1.55%)p32.33( 50.20%)d30.78( 47.79%) f 0.29( 0.46%) 897. (0.00001) RY (10) H 20 s( 5.59%)p 4.87( 27.24%)d 9.93( 55.52%) f 2.08( 11.64%) 898. (0.00001) RY (11) H 20 s( 5.88%)p 4.26( 25.06%)d10.75( 63.19%) f 1.00( 5.87%) 899. (0.00000) RY (12) H 20 s( 53.45%)p 0.44( 23.72%)d 0.36( 19.43%) f 0.06( 3.39%) 900. (0.00000) RY (13) H 20 s( 5.70%)p 9.82( 56.02%)d 5.89( 33.57%) f 0.83( 4.71%) 901. (0.00000) RY (14) H 20 s( 0.14%)p99.07( 13.45%)d99.99( 26.97%) f99.99( 59.45%) 902. (0.00000) RY (15) H 20 s( 1.25%)p16.45( 20.49%)d12.71( 15.82%) f50.14( 62.45%) 903. (0.00000) RY (16) H 20 s( 0.48%)p50.61( 24.35%)d49.02( 23.58%) f99.99( 51.58%) 904. (0.00000) RY (17) H 20 s( 0.99%)p31.38( 31.04%)d16.32( 16.14%) f52.40( 51.83%) 905. (0.00000) RY (18) H 20 s( 17.63%)p 0.72( 12.66%)d 0.71( 12.53%) f 3.24( 57.18%) 906. (0.00000) RY (19) H 20 s( 7.74%)p 5.99( 46.32%)d 2.24( 17.32%) f 3.70( 28.61%) 907. (0.00000) RY (20) H 20 s( 5.81%)p 4.30( 24.97%)d 5.29( 30.73%) f 6.63( 38.50%) 908. (0.00000) RY (21) H 20 s( 2.27%)p12.61( 28.61%)d26.28( 59.59%) f 4.20( 9.53%) 909. (0.00000) RY (22) H 20 s( 0.04%)p70.49( 2.72%)d99.99( 81.86%) f99.99( 15.38%) 910. (0.00000) RY (23) H 20 s( 0.01%)p99.99( 5.38%)d99.99( 74.31%) f99.99( 20.30%) 911. (0.00000) RY (24) H 20 s( 0.03%)p99.99( 12.68%)d99.99( 59.63%) f99.99( 27.65%) 912. (0.00000) RY (25) H 20 s( 0.03%)p99.99( 10.91%)d99.99( 71.97%) f99.99( 17.10%) 913. (0.00000) RY (26) H 20 s( 0.57%)p 7.69( 4.41%)d46.40( 26.59%) f99.99( 68.43%) 914. (0.00000) RY (27) H 20 s( 0.04%)p99.99( 13.17%)d99.99( 13.09%) f99.99( 73.70%) 915. (0.00000) RY (28) H 20 s( 0.01%)p99.99( 51.37%)d99.99( 15.97%) f99.99( 32.65%) 916. (0.00000) RY (29) H 20 s( 0.09%)p99.99( 34.92%)d99.99( 49.18%) f99.99( 15.81%) 917. (0.01364) RY ( 1)Mo 21 s( 18.71%)p 0.97( 18.09%)d 3.19( 59.61%) f 0.15( 2.89%)g 0.04( 0.71%) 0.0000 -0.0677 0.4228 0.0278 0.0522 0.0148 0.0023 0.0000 -0.3665 -0.0523 -0.0347 -0.0451 0.0000 -0.0853 0.0561 -0.0154 0.0084 0.0000 -0.1421 -0.0880 0.0325 -0.0294 0.0082 -0.3416 -0.0126 0.0008 0.0083 0.0719 -0.1135 -0.0295 0.0304 -0.0372 -0.0312 0.0146 0.0772 -0.6273 0.1404 -0.0264 0.0277 0.0886 -0.1680 -0.0001 0.0686 0.0506 -0.0074 0.0277 -0.0554 0.0082 -0.0608 0.0508 -0.0072 0.0044 0.0409 0.0056 0.0242 0.0044 0.0054 -0.0062 -0.0035 0.0093 -0.0916 -0.0210 -0.0013 0.0319 -0.0002 -0.0319 0.0055 0.0255 -0.0172 -0.0375 -0.0218 -0.0041 -0.0155 -0.0256 -0.0070 0.0026 -0.0149 -0.0151 -0.0231 0.0086 -0.0119 918. (0.01044) RY ( 2)Mo 21 s( 8.39%)p 0.82( 6.88%)d 9.68( 81.20%) f 0.39( 3.29%)g 0.03( 0.25%) 0.0000 0.0203 0.2857 0.0422 0.0006 -0.0066 0.0027 0.0000 -0.2019 0.0559 -0.0412 -0.0095 0.0000 0.1329 -0.0200 0.0402 -0.0194 0.0000 0.0474 -0.0010 -0.0245 0.0143 -0.0048 0.6127 0.0153 0.0263 -0.0025 -0.5844 0.0646 0.0087 -0.0124 0.1443 -0.0167 0.0155 -0.0095 -0.1046 0.1081 0.0083 0.0187 0.1970 -0.0805 -0.0008 -0.0027 -0.0298 0.0008 0.0361 -0.0214 0.0024 0.0621 0.0061 -0.0055 -0.0429 -0.0614 -0.0061 0.0370 0.0196 -0.0015 0.0030 -0.0057 -0.0038 0.1287 0.0476 -0.0033 -0.0251 0.0051 0.0222 -0.0114 0.0019 0.0018 -0.0057 -0.0035 -0.0115 0.0130 0.0157 -0.0123 0.0078 0.0029 -0.0039 0.0050 -0.0146 0.0119 919. (0.00833) RY ( 3)Mo 21 s( 23.26%)p 0.78( 18.15%)d 2.19( 50.85%) f 0.17( 3.95%)g 0.16( 3.79%) 0.0000 0.0235 0.4722 0.0404 -0.0857 -0.0126 -0.0026 0.0000 0.0655 0.3732 -0.0855 0.0378 0.0000 -0.0511 -0.0429 -0.0067 0.0005 0.0000 0.1485 0.0434 -0.0237 0.0138 0.0014 -0.3725 0.0285 -0.0224 0.0070 -0.0335 0.1207 0.0192 -0.0068 0.4132 0.0295 0.0196 -0.1027 0.3163 0.0885 0.0333 -0.0237 0.1177 0.2070 -0.0594 0.0251 -0.0325 0.0058 0.0977 -0.0282 0.0014 0.0014 -0.0430 0.0039 0.0398 -0.0040 -0.0074 0.1213 0.0318 -0.0081 -0.0483 -0.0619 -0.0100 -0.0421 -0.0094 -0.0009 -0.1335 0.0050 0.0355 0.0000 -0.0405 0.0213 0.0719 0.0155 -0.0126 0.0045 0.0358 0.0065 0.0874 0.0224 0.0221 0.0324 0.0064 -0.0017 920. (0.00760) RY ( 4)Mo 21 s( 6.55%)p 0.94( 6.12%)d13.10( 85.73%) f 0.18( 1.18%)g 0.07( 0.43%) 0.0000 0.0178 0.2535 0.0284 -0.0098 -0.0002 0.0011 0.0000 -0.1442 0.0968 -0.0189 0.0047 0.0000 0.0733 -0.0099 0.0271 -0.0125 0.0000 0.0986 0.1110 0.0459 0.0136 -0.0019 0.4816 -0.0043 -0.0160 -0.0276 0.7765 0.0132 -0.0020 -0.0053 -0.0079 0.0000 0.0075 -0.0189 0.0445 0.0758 0.0110 -0.0045 0.1095 -0.0243 -0.0142 -0.0751 -0.0104 0.0056 0.0196 -0.0219 0.0027 -0.0201 0.0169 0.0092 0.0203 0.0197 0.0109 0.0223 -0.0025 -0.0032 -0.0076 -0.0121 -0.0024 0.0503 0.0135 0.0008 -0.0066 0.0005 0.0147 0.0127 -0.0322 0.0032 0.0085 0.0025 -0.0028 0.0193 0.0428 0.0040 0.0154 0.0023 0.0039 0.0104 -0.0073 0.0081 921. (0.00716) RY ( 5)Mo 21 s( 26.36%)p 0.47( 12.31%)d 2.09( 55.00%) f 0.17( 4.51%)g 0.07( 1.82%) 0.0000 -0.0908 0.4476 -0.2319 0.0356 0.0017 -0.0066 0.0000 0.3097 0.0245 -0.0426 0.0066 0.0000 -0.0172 -0.0230 0.0057 -0.0125 0.0000 -0.1378 -0.0648 0.0148 -0.0165 -0.0136 0.1710 -0.0224 -0.0236 0.0087 -0.0575 -0.1166 -0.0180 -0.0096 -0.2289 -0.0265 -0.0021 0.0165 -0.0422 -0.1529 0.0336 -0.0337 -0.6335 0.1411 -0.0126 0.0234 0.0393 -0.0081 0.1209 -0.0271 -0.0006 -0.0305 0.0491 -0.0047 0.0004 0.0143 0.0064 0.0856 -0.0294 0.0038 0.1228 0.0049 0.0067 -0.0227 -0.0097 -0.0025 -0.0759 0.0058 -0.0151 -0.0004 -0.0271 -0.0016 0.0803 -0.0091 -0.0414 -0.0037 0.0067 -0.0121 0.0450 -0.0042 0.0173 -0.0001 -0.0248 -0.0030 922. (0.00419) RY ( 6)Mo 21 s( 0.73%)p66.86( 48.85%)d55.44( 40.51%) f10.96( 8.00%)g 2.61( 1.91%) 0.0000 -0.0207 0.0730 -0.0367 -0.0141 0.0013 0.0017 0.0000 -0.3248 0.1268 0.0717 0.0510 0.0000 -0.1786 -0.1530 0.0173 -0.0222 0.0000 -0.5231 -0.1518 0.0611 -0.0517 -0.0229 0.0174 -0.0893 -0.0529 0.0229 -0.0387 -0.3093 -0.0446 -0.0166 -0.0830 0.0362 -0.0274 -0.0247 0.5003 0.0837 0.0096 -0.0236 0.0437 -0.1532 -0.0255 0.0253 0.1293 -0.0307 -0.1479 0.0056 0.0035 0.0144 0.0813 -0.0051 -0.0846 0.0481 0.0076 -0.1468 -0.0328 0.0048 0.0153 0.0072 -0.0043 -0.0220 -0.0054 0.0008 0.0189 -0.0024 -0.0532 -0.0030 -0.0289 0.0017 -0.0343 0.0096 -0.0898 -0.0104 -0.0259 -0.0322 -0.0177 0.0152 0.0292 0.0159 -0.0474 -0.0016 923. (0.00366) RY ( 7)Mo 21 s( 5.72%)p 4.37( 25.03%)d10.44( 59.74%) f 1.46( 8.36%)g 0.20( 1.15%) 0.0000 0.0070 0.1230 0.2028 0.0286 -0.0090 -0.0038 0.0000 -0.2070 0.1913 0.0122 0.0109 0.0000 0.1186 0.0381 -0.0281 0.0126 0.0000 0.3654 0.1180 -0.0706 0.0412 0.0127 -0.1451 -0.0231 0.0233 -0.0110 -0.0895 0.2101 0.0512 -0.0128 -0.4298 -0.0488 -0.0213 0.0074 0.2007 0.1678 0.0210 -0.0396 -0.3158 -0.4009 -0.0398 -0.0428 -0.0940 0.0189 -0.1812 -0.0270 0.0049 -0.0170 -0.0825 0.0095 0.0554 -0.0408 -0.0078 -0.1450 0.0058 0.0029 -0.0007 0.0720 -0.0116 0.0082 -0.0234 0.0004 0.0445 -0.0138 0.0321 -0.0040 -0.0134 -0.0034 -0.0190 0.0087 0.0509 0.0065 0.0124 0.0263 -0.0504 -0.0017 0.0366 0.0081 0.0136 0.0040 924. (0.00284) RY ( 8)Mo 21 s( 11.55%)p 0.32( 3.69%)d 5.93( 68.51%) f 1.18( 13.62%)g 0.23( 2.62%) 0.0000 -0.0075 -0.1729 0.2905 0.0343 -0.0056 -0.0027 0.0000 -0.0086 0.0725 -0.1180 -0.0138 0.0000 -0.0110 -0.0051 -0.0056 -0.0166 0.0000 -0.1279 -0.0137 0.0207 -0.0090 -0.0044 0.0832 0.0227 -0.0146 0.0065 0.0672 -0.0310 -0.0108 -0.0014 0.5757 -0.0545 0.0107 0.0105 -0.1099 0.1091 -0.0221 -0.0145 -0.5118 -0.2246 -0.0113 0.0062 0.0205 -0.0044 -0.2874 0.0486 -0.0029 0.0015 0.0294 -0.0057 0.0011 0.0441 -0.0033 0.1548 0.0808 -0.0218 -0.1132 0.0269 -0.0054 0.0553 -0.0188 -0.0017 -0.0118 -0.0025 -0.0069 0.0090 0.0477 -0.0019 -0.1289 0.0062 -0.0001 -0.0007 0.0247 -0.0071 0.0713 0.0153 -0.0316 -0.0059 0.0014 -0.0017 925. (0.00174) RY ( 9)Mo 21 s( 40.89%)p 0.74( 30.16%)d 0.38( 15.54%) f 0.25( 10.28%)g 0.08( 3.12%) 0.0000 0.0075 -0.0485 0.6345 -0.0622 -0.0091 -0.0055 0.0000 0.3322 0.2287 -0.1028 -0.0684 0.0000 -0.0743 -0.2621 -0.0075 -0.0365 0.0000 -0.2125 0.0505 0.0149 0.0110 -0.0140 0.0408 -0.0746 -0.0591 0.0021 -0.0172 -0.0727 0.0193 0.0021 -0.2765 0.0019 0.0626 0.0038 -0.1575 0.1269 0.0288 0.0019 0.1073 0.0637 -0.0278 -0.0303 0.0241 -0.0110 0.2222 -0.0767 0.0009 0.0752 -0.0252 -0.0014 0.0263 0.0035 -0.0027 -0.0548 0.0753 -0.0001 -0.1598 0.0523 -0.0288 0.0062 -0.0335 0.0057 -0.0323 0.0033 0.0162 -0.0020 -0.0138 0.0067 0.0636 0.0022 -0.1074 0.0164 0.0863 -0.0200 0.0142 0.0058 -0.0463 0.0180 -0.0529 0.0225 926. (0.00155) RY (10)Mo 21 s( 0.57%)p66.89( 38.38%)d54.71( 31.39%) f45.36( 26.02%)g 6.34( 3.64%) 0.0000 -0.0013 0.0082 0.0690 -0.0227 -0.0194 -0.0034 0.0000 0.0968 0.1377 -0.0126 -0.0005 0.0000 -0.2114 0.4456 0.1085 0.0137 0.0000 -0.2938 -0.0761 -0.0818 0.0354 0.0143 0.0391 0.4456 0.1262 -0.0004 0.0508 0.2690 -0.0546 0.0071 -0.1159 0.0257 0.0172 -0.0009 0.0181 0.0543 0.0208 -0.0038 0.0330 -0.0122 -0.0165 0.2071 -0.2236 0.0332 -0.0162 0.0025 -0.0019 -0.1256 0.0065 -0.0078 -0.3319 0.0019 -0.0209 -0.0193 0.0480 0.0005 -0.0199 0.0430 -0.0117 0.1471 0.1130 -0.0040 -0.0271 -0.0017 0.0630 -0.0338 0.0050 0.0077 0.0291 0.0028 0.0736 0.0072 -0.1261 0.0408 0.0325 0.0006 -0.0060 0.0027 0.0724 -0.0148 927. (0.00120) RY (11)Mo 21 s( 0.87%)p70.50( 61.38%)d17.73( 15.44%) f19.82( 17.25%)g 5.81( 5.06%) 0.0000 -0.0133 -0.0280 0.0672 -0.0566 -0.0034 -0.0033 0.0000 0.1174 0.2127 0.0098 0.0078 0.0000 0.4831 0.5374 -0.0068 0.0218 0.0000 -0.0784 -0.1184 0.1075 -0.0141 0.0209 -0.0324 -0.1990 0.1017 -0.0088 -0.0131 -0.3051 -0.0155 0.0092 -0.0009 0.0194 -0.0100 -0.0060 0.0288 0.0561 0.0129 -0.0040 0.0643 0.0137 -0.0160 0.0593 0.0602 -0.0121 0.0260 0.0057 0.0004 -0.1301 0.1398 -0.0253 0.2966 -0.0923 0.0264 -0.0588 0.0070 -0.0057 -0.0401 0.0085 -0.0110 0.1487 -0.0528 0.0036 0.0095 -0.0022 -0.1412 0.0529 -0.0208 -0.0014 0.0428 0.0034 0.0750 -0.0278 -0.0540 0.0241 0.0054 0.0004 0.0237 -0.0086 0.0934 -0.0789 928. (0.00100) RY (12)Mo 21 s( 0.65%)p61.81( 40.46%)d17.42( 11.40%) f69.64( 45.58%)g 2.91( 1.91%) 0.0000 -0.0138 -0.0372 0.0586 0.0242 -0.0306 -0.0033 0.0000 0.0957 0.0759 -0.0605 -0.0084 0.0000 0.0317 -0.0608 0.1799 -0.0245 0.0000 0.4338 -0.3001 0.2338 -0.1238 -0.0008 -0.0241 0.0869 0.0602 0.0225 0.0166 -0.1633 -0.2113 -0.0004 -0.0336 -0.0843 0.0758 -0.0019 0.0264 -0.0123 0.0128 0.0011 0.0432 -0.1144 -0.0132 0.1313 0.3382 -0.0225 0.0187 0.0142 -0.0018 0.0880 0.3106 0.0005 -0.4046 0.0597 0.0461 0.0474 0.0868 -0.0049 0.0260 0.0600 -0.0076 -0.0483 0.1792 0.0308 -0.0163 0.0069 0.0004 -0.0097 -0.0006 0.0125 0.0466 -0.0004 -0.0236 -0.0240 -0.0734 -0.0864 0.0254 0.0145 -0.0064 -0.0010 -0.0304 -0.0231 929. (0.00072) RY (13)Mo 21 s( 6.51%)p 2.63( 17.16%)d 3.86( 25.15%) f 7.32( 47.68%)g 0.54( 3.49%) 0.0000 0.0187 0.1260 0.1602 -0.1390 0.0627 0.0043 0.0000 0.0583 -0.2588 -0.0155 -0.0360 0.0000 0.0593 0.0120 -0.1818 -0.0223 0.0000 0.1525 -0.1379 -0.1320 -0.0525 0.0010 0.0592 0.0096 -0.2069 0.0125 -0.0411 -0.0127 -0.0115 0.0037 -0.0469 0.1799 -0.0052 0.0053 0.0496 0.2126 -0.1215 0.0000 -0.0209 0.3244 -0.0149 0.0548 0.0259 0.0168 -0.2725 -0.0429 0.0050 -0.3512 0.1117 0.0144 -0.1888 0.2745 0.0148 -0.1510 -0.0826 0.0198 -0.1585 -0.2046 0.0120 0.0145 -0.2230 -0.0493 0.0715 -0.0207 -0.0557 -0.0146 -0.0127 -0.0263 -0.1328 -0.0221 -0.0029 -0.0429 0.0003 0.0019 -0.0588 -0.0231 0.0306 -0.0150 0.0078 -0.0074 930. (0.00068) RY (14)Mo 21 s( 0.57%)p99.99( 57.56%)d15.33( 8.69%) f48.93( 27.75%)g 9.58( 5.43%) 0.0000 0.0006 0.0548 0.0497 0.0026 -0.0137 -0.0007 0.0000 0.1116 -0.1019 -0.0181 -0.0177 0.0000 -0.6639 0.0990 0.1784 0.0892 0.0000 0.2428 0.0527 -0.0005 0.0011 0.0000 0.0379 -0.1512 0.0483 -0.0077 -0.0345 -0.1999 0.0265 -0.0021 0.0230 -0.0256 -0.0306 -0.0021 0.0284 0.0693 -0.0492 0.0010 0.0314 -0.0826 0.0198 -0.0741 0.0166 -0.0145 0.0193 0.0311 0.0008 -0.1090 0.0800 -0.0038 0.2107 -0.0861 0.0112 -0.0143 -0.0348 -0.0004 0.0693 -0.0251 0.0012 0.4309 -0.0858 -0.0074 0.0361 0.0110 -0.1249 0.0231 -0.0256 -0.0027 -0.0135 -0.0023 0.0525 0.0275 -0.0537 -0.0141 -0.0179 -0.0066 0.0481 -0.0097 0.1625 0.0125 931. (0.00061) RY (15)Mo 21 s( 5.27%)p 6.33( 33.40%)d 3.14( 16.57%) f 8.10( 42.71%)g 0.39( 2.04%) 0.0000 0.0141 0.2129 -0.0263 -0.0807 -0.0008 0.0002 0.0000 0.2987 -0.3473 -0.1625 -0.0412 0.0000 0.0970 -0.0110 0.1202 0.0141 0.0000 -0.1327 0.0688 0.2199 0.0341 0.0009 -0.0666 0.0225 0.1249 -0.0074 0.0398 0.0810 0.0023 0.0034 -0.0065 -0.1441 0.0336 -0.0006 0.0595 0.3066 -0.1078 0.0083 0.0709 0.0009 0.0269 0.0473 0.0664 -0.0190 -0.3280 0.0491 0.0032 0.3470 -0.0996 -0.0187 0.0689 -0.2505 0.0093 -0.2078 0.0502 0.0069 0.0407 -0.1919 0.0242 -0.0054 0.1631 0.0197 0.0713 0.0027 0.0606 0.0145 0.0115 -0.0136 -0.0566 -0.0110 0.0334 0.0240 -0.0290 -0.0184 -0.0124 -0.0078 0.0534 -0.0193 -0.0388 0.0011 932. (0.00047) RY (16)Mo 21 s( 3.95%)p 1.04( 4.12%)d 7.20( 28.40%) f14.18( 55.97%)g 1.92( 7.56%) 0.0000 0.0056 0.0437 0.1800 -0.0698 -0.0156 -0.0009 0.0000 -0.0431 -0.0372 0.0911 -0.0243 0.0000 0.0115 0.0158 0.0545 -0.0242 0.0000 0.0340 -0.1076 -0.0894 -0.0664 0.0012 -0.0160 0.0372 0.1477 0.0042 0.0139 -0.0757 -0.0181 -0.0132 0.1167 -0.1824 -0.3344 0.0039 -0.0219 0.0964 0.1532 0.0017 -0.0844 0.1808 0.1494 -0.2711 -0.0710 0.0115 0.0599 0.1182 0.0162 -0.0213 -0.0008 0.0046 -0.0561 -0.0987 -0.0153 -0.1322 -0.5706 -0.0061 -0.0444 0.2075 0.0038 -0.0836 0.2306 0.0369 0.0249 0.0159 0.0529 -0.0242 -0.0124 -0.0370 0.0604 -0.0087 -0.0308 0.0128 -0.1609 0.0065 -0.1669 0.0227 0.0423 -0.0068 -0.0940 0.0057 933. (0.00039) RY (17)Mo 21 s( 0.38%)p25.36( 9.56%)d96.50( 36.37%) f99.99( 46.57%)g18.91( 7.13%) 0.0000 0.0106 0.0461 -0.0008 -0.0308 0.0238 -0.0037 0.0000 -0.0211 -0.0607 0.0134 0.0082 0.0000 -0.0563 0.0826 0.0060 -0.0190 0.0000 0.0847 0.0893 -0.2562 0.0072 -0.0025 -0.0118 0.0792 0.2501 -0.0027 -0.0261 -0.3108 -0.0230 0.0012 -0.0442 0.4191 0.1049 0.0024 0.0018 -0.0226 0.0295 -0.0025 -0.0372 0.0675 -0.0305 -0.2013 -0.1251 0.0224 -0.1310 -0.1447 0.0077 0.1788 0.0317 -0.0005 0.0539 0.1299 -0.0441 0.0300 0.1473 0.0143 -0.1986 0.0327 0.0093 -0.1087 0.4878 0.0555 0.0524 -0.0288 -0.1188 -0.0154 -0.0451 -0.0059 -0.0398 0.0002 0.0133 0.0456 0.1889 0.0095 0.0873 -0.0250 -0.0529 0.0160 0.0187 -0.0031 934. (0.00034) RY (18)Mo 21 s( 7.09%)p 2.49( 17.65%)d 4.91( 34.82%) f 4.64( 32.90%)g 1.06( 7.54%) 0.0000 0.0129 0.0345 0.2221 -0.1401 0.0187 -0.0157 0.0000 -0.2671 -0.1074 -0.1067 0.0571 0.0000 -0.0829 0.0685 0.1380 0.0456 0.0000 -0.0051 0.0016 0.2101 0.0460 -0.0021 0.0188 -0.0338 0.0153 -0.0009 -0.0062 0.1821 -0.0236 -0.0003 -0.0316 0.1027 0.0437 0.0041 0.0316 -0.4696 0.1670 -0.0124 -0.0996 0.1919 -0.0540 0.0975 0.1228 -0.0383 -0.0724 -0.3078 0.0131 0.0635 0.1067 -0.0020 0.0807 -0.3051 0.0233 -0.0443 -0.0765 -0.0135 -0.2463 -0.1185 -0.0102 -0.0448 -0.0423 0.0244 -0.1181 -0.0307 -0.0365 0.0136 0.0005 -0.0342 -0.0930 -0.0071 0.1174 -0.0071 -0.0746 -0.0228 -0.1330 0.0103 -0.0925 0.0529 -0.0062 -0.0069 935. (0.00029) RY (19)Mo 21 s( 5.17%)p 3.30( 17.06%)d10.46( 54.05%) f 3.64( 18.81%)g 0.95( 4.91%) 0.0000 0.0008 -0.0663 0.1740 0.1080 -0.0730 0.0024 0.0000 -0.3046 -0.0039 -0.2249 -0.0333 0.0000 -0.0392 0.0990 -0.0629 0.0092 0.0000 0.0528 0.0200 -0.0863 0.0073 -0.0046 0.0116 0.1413 -0.0128 -0.0015 -0.0212 -0.1790 0.0208 -0.0006 -0.0510 -0.5004 0.1695 0.0028 0.0637 -0.0339 -0.0500 -0.0027 -0.0759 0.4332 -0.0667 -0.0179 -0.1330 0.0155 0.0151 0.0995 -0.0517 0.1345 0.0488 -0.0015 0.0552 0.0728 -0.0096 -0.0723 0.2175 0.0079 0.2663 -0.0187 0.0035 -0.0657 -0.0018 0.0022 0.1106 -0.0112 -0.0911 0.0140 -0.1167 -0.0026 -0.0029 0.0061 0.1051 -0.0074 0.0381 0.0195 0.0299 -0.0037 -0.0223 -0.0074 -0.0134 -0.0007 936. (0.00028) RY (20)Mo 21 s( 3.62%)p 2.76( 9.98%)d11.16( 40.40%) f10.02( 36.27%)g 2.69( 9.73%) 0.0000 0.0021 -0.0871 -0.0922 0.1407 0.0030 0.0171 0.0000 -0.1124 0.1317 0.1874 0.0140 0.0000 -0.0962 -0.0222 0.0475 0.0027 0.0000 -0.0009 -0.0639 0.1276 0.0458 -0.0048 0.0452 0.0066 0.0545 0.0030 -0.0089 0.1636 -0.0455 0.0049 -0.0587 0.2395 0.0214 0.0065 -0.0470 0.3806 -0.1329 -0.0002 -0.1100 0.3605 -0.0431 -0.1744 0.1431 -0.0482 0.0196 0.0914 -0.0011 -0.0363 0.0996 -0.0251 0.0498 -0.3222 0.0218 0.0443 0.2450 -0.0057 -0.0258 0.3041 0.0262 -0.1276 -0.0950 0.0305 -0.0187 -0.0181 -0.0510 0.0114 0.2111 -0.0257 -0.1020 -0.0151 0.0976 -0.0044 -0.0457 -0.0211 -0.0407 -0.0211 0.1326 -0.0550 -0.0545 0.0167 937. (0.00025) RY (21)Mo 21 s( 0.43%)p28.39( 12.12%)d23.88( 10.19%) f99.99( 64.94%)g28.88( 12.33%) 0.0000 0.0023 0.0221 0.0463 0.0365 -0.0136 0.0110 0.0000 -0.0129 -0.0223 0.1222 0.0066 0.0000 -0.0124 0.0094 0.0135 0.0242 0.0000 0.0360 0.2988 0.1160 -0.0215 -0.0069 0.0127 -0.0045 -0.0764 -0.0093 -0.0105 -0.0774 0.0185 -0.0048 0.0240 0.1720 -0.2052 -0.0021 0.0261 0.0778 -0.0549 -0.0028 -0.0491 0.0481 0.0504 0.5291 -0.1648 0.0665 0.1283 0.0388 0.0117 0.3909 0.2065 0.0502 0.0279 0.2083 0.0089 0.0502 -0.1589 -0.0102 -0.0344 0.1887 0.0122 -0.0136 -0.1057 -0.0361 0.1439 -0.0081 -0.0590 0.0079 -0.0485 -0.0311 -0.0813 -0.0004 0.2386 -0.0307 -0.0258 -0.0209 -0.0465 -0.0250 0.0988 -0.0365 -0.1219 0.0363 938. (0.00021) RY (22)Mo 21 s( 0.31%)p15.08( 4.66%)d41.07( 12.70%) f99.99( 63.11%)g62.13( 19.21%) 0.0000 0.0103 0.0410 -0.0349 -0.0073 0.0040 0.0047 0.0000 -0.0485 0.0893 0.0242 0.0134 0.0000 0.1210 -0.0980 0.0086 0.0336 0.0000 -0.0008 0.0746 0.0669 0.0052 0.0023 -0.0567 0.2306 -0.0793 -0.0033 -0.0001 -0.1121 0.0263 0.0019 -0.0094 0.0512 -0.0623 0.0064 -0.0720 -0.0817 0.0025 0.0048 -0.0043 0.1600 -0.0831 -0.1029 0.2933 0.0140 -0.1993 -0.1423 0.0325 0.1926 -0.3960 -0.0057 -0.0761 0.1857 0.0131 -0.0719 -0.0408 0.0047 -0.0041 0.2668 -0.0024 0.3848 -0.1112 -0.0198 0.0823 -0.0259 -0.0551 -0.0269 0.1499 -0.0502 0.2064 -0.0211 0.1232 0.0594 -0.1614 -0.0099 0.0498 -0.0182 -0.1339 -0.0214 0.2115 -0.0456 939. (0.00013) RY (23)Mo 21 s( 1.29%)p16.51( 21.32%)d14.79( 19.09%) f31.16( 40.24%)g13.99( 18.06%) 0.0000 0.0054 0.0930 0.0273 0.0587 -0.0026 0.0064 0.0000 0.0916 -0.0934 -0.0335 0.0217 0.0000 0.0779 -0.1232 -0.0247 0.0112 0.0000 0.0746 -0.4014 -0.0313 -0.0697 0.0014 -0.0366 0.1449 -0.0562 0.0133 0.0624 -0.2528 0.1568 -0.0037 0.0613 0.0545 -0.0221 -0.0080 0.0594 -0.1402 -0.1288 -0.0014 0.0525 -0.1485 -0.0316 -0.0926 -0.4137 -0.0920 0.0697 -0.1532 0.0276 0.0544 -0.0797 -0.0716 -0.0930 -0.2672 -0.0098 -0.0569 0.0966 0.0184 -0.0349 0.1328 -0.0039 0.0963 -0.2132 -0.0637 0.0149 -0.0077 0.0585 0.0459 0.0867 -0.0293 -0.0990 -0.0101 0.2714 0.0135 0.0172 0.0804 0.0196 -0.0294 0.0028 -0.0601 -0.2646 0.0318 940. (0.00010) RY (24)Mo 21 s( 9.30%)p 0.82( 7.59%)d 3.64( 33.88%) f 3.76( 34.94%)g 1.54( 14.29%) 941. (0.00008) RY (25)Mo 21 s( 8.50%)p 1.01( 8.60%)d 1.66( 14.08%) f 5.78( 49.09%)g 2.32( 19.72%) 942. (0.00008) RY (26)Mo 21 s( 0.72%)p20.22( 14.66%)d22.98( 16.66%) f60.03( 43.51%)g33.72( 24.44%) 943. (0.00006) RY (27)Mo 21 s( 0.86%)p16.24( 14.00%)d 7.49( 6.46%) f46.99( 40.49%)g44.31( 38.19%) 944. (0.00004) RY (28)Mo 21 s( 1.58%)p 5.56( 8.82%)d 9.71( 15.39%) f17.78( 28.18%)g29.04( 46.02%) 945. (0.00004) RY (29)Mo 21 s( 6.86%)p 2.79( 19.13%)d 2.51( 17.24%) f 2.91( 19.93%)g 5.37( 36.84%) 946. (0.00003) RY (30)Mo 21 s( 4.30%)p 1.71( 7.34%)d 3.63( 15.62%) f 6.37( 27.38%)g10.55( 45.35%) 947. (0.00003) RY (31)Mo 21 s( 1.74%)p 3.22( 5.60%)d10.58( 18.36%) f19.76( 34.29%)g23.06( 40.02%) 948. (0.00002) RY (32)Mo 21 s( 2.92%)p 5.75( 16.79%)d 6.90( 20.12%) f10.83( 31.61%)g 9.79( 28.56%) 949. (0.00002) RY (33)Mo 21 s( 1.91%)p 9.40( 17.99%)d 5.62( 10.76%) f23.57( 45.11%)g12.66( 24.23%) 950. (0.00002) RY (34)Mo 21 s( 1.68%)p10.01( 16.80%)d 3.43( 5.75%) f13.12( 22.02%)g32.03( 53.75%) 951. (0.00002) RY (35)Mo 21 s( 0.49%)p24.22( 11.80%)d29.73( 14.48%) f90.35( 44.01%)g59.99( 29.22%) 952. (0.00001) RY (36)Mo 21 s( 4.18%)p 3.04( 12.72%)d 6.48( 27.10%) f 1.85( 7.72%)g11.55( 48.28%) 953. (0.00001) RY (37)Mo 21 s( 0.78%)p41.42( 32.51%)d21.90( 17.19%) f28.78( 22.59%)g34.30( 26.92%) 954. (0.00000) RY (38)Mo 21 s( 4.89%)p 1.03( 5.06%)d10.26( 50.21%) f 1.34( 6.54%)g 6.81( 33.30%) 955. (0.00000) RY (39)Mo 21 s( 45.68%)p 0.07( 3.36%)d 0.05( 2.51%) f 0.52( 23.79%)g 0.54( 24.67%) 956. (0.00000) RY (40)Mo 21 s( 10.35%)p 0.19( 2.00%)d 0.15( 1.53%) f 2.59( 26.78%)g 5.73( 59.33%) 957. (0.00000) RY (41)Mo 21 s( 3.58%)p 1.15( 4.11%)d 1.67( 5.99%) f14.51( 51.97%)g 9.59( 34.35%) 958. (0.00000) RY (42)Mo 21 s( 32.19%)p 0.19( 6.20%)d 0.09( 2.93%) f 1.24( 39.82%)g 0.59( 18.86%) 959. (0.00000) RY (43)Mo 21 s( 3.88%)p 1.67( 6.48%)d 1.61( 6.24%) f 9.20( 35.73%)g12.27( 47.67%) 960. (0.00000) RY (44)Mo 21 s( 5.79%)p 2.47( 14.27%)d 1.44( 8.32%) f 6.29( 36.38%)g 6.09( 35.24%) 961. (0.00000) RY (45)Mo 21 s( 2.38%)p 1.78( 4.25%)d 2.57( 6.11%) f19.57( 46.62%)g17.05( 40.63%) 962. (0.00000) RY (46)Mo 21 s( 4.58%)p 1.59( 7.29%)d 2.15( 9.87%) f 3.82( 17.50%)g13.26( 60.76%) 963. (0.00000) RY (47)Mo 21 s( 0.64%)p12.19( 7.81%)d23.49( 15.04%) f72.68( 46.55%)g46.79( 29.96%) 964. (0.00000) RY (48)Mo 21 s( 3.55%)p 2.67( 9.47%)d 1.99( 7.04%) f 5.48( 19.43%)g17.07( 60.51%) 965. (0.00000) RY (49)Mo 21 s( 7.32%)p 0.62( 4.57%)d 1.13( 8.28%) f 3.89( 28.49%)g 7.01( 51.34%) 966. (0.00000) RY (50)Mo 21 s( 13.64%)p 0.27( 3.71%)d 0.19( 2.64%) f 2.02( 27.57%)g 3.84( 52.44%) 967. (0.00000) RY (51)Mo 21 s( 2.81%)p 2.55( 7.18%)d 4.40( 12.38%) f16.10( 45.31%)g11.49( 32.32%) 968. (0.00000) RY (52)Mo 21 s( 5.29%)p 4.45( 23.57%)d 0.85( 4.52%) f 3.64( 19.28%)g 8.95( 47.34%) 969. (0.00000) RY (53)Mo 21 s( 10.76%)p 3.25( 34.92%)d 1.11( 11.91%) f 1.45( 15.61%)g 2.49( 26.80%) 970. (0.00000) RY (54)Mo 21 s( 4.25%)p 5.78( 24.58%)d 4.14( 17.61%) f 4.95( 21.04%)g 7.65( 32.52%) 971. (0.00000) RY (55)Mo 21 s( 6.06%)p 4.00( 24.23%)d 1.29( 7.82%) f 4.71( 28.55%)g 5.50( 33.33%) 972. (0.00000) RY (56)Mo 21 s( 7.83%)p 1.59( 12.42%)d 1.81( 14.18%) f 4.28( 33.55%)g 4.09( 32.03%) 973. (0.00000) RY (57)Mo 21 s( 1.58%)p10.89( 17.19%)d 7.11( 11.22%) f16.67( 26.31%)g27.69( 43.70%) 974. (0.00000) RY (58)Mo 21 s( 29.34%)p 0.59( 17.39%)d 0.47( 13.93%) f 0.75( 22.12%)g 0.59( 17.22%) 975. (0.00000) RY (59)Mo 21 s( 5.78%)p 8.11( 46.90%)d 3.14( 18.16%) f 1.28( 7.42%)g 3.76( 21.74%) 976. (0.00000) RY (60)Mo 21 s( 2.19%)p10.11( 22.14%)d 3.73( 8.16%) f10.56( 23.12%)g20.27( 44.38%) 977. (0.00000) RY (61)Mo 21 s( 1.55%)p 9.78( 15.17%)d 2.25( 3.49%) f24.79( 38.47%)g26.62( 41.31%) 978. (0.00000) RY (62)Mo 21 s( 0.24%)p99.99( 34.71%)d33.57( 7.96%) f99.99( 37.04%)g84.61( 20.05%) 979. (0.00000) RY (63)Mo 21 s( 7.22%)p 0.55( 3.98%)d 0.71( 5.16%) f 6.33( 45.69%)g 5.26( 37.95%) 980. (0.00000) RY (64)Mo 21 s( 0.57%)p45.67( 25.86%)d46.87( 26.53%) f42.18( 23.88%)g40.92( 23.16%) 981. (0.00000) RY (65)Mo 21 s( 5.29%)p 3.32( 17.57%)d 2.11( 11.17%) f 8.00( 42.31%)g 4.47( 23.66%) 982. (0.00000) RY (66)Mo 21 s( 31.53%)p 0.32( 10.00%)d 0.16( 4.97%) f 0.60( 18.91%)g 1.10( 34.59%) 983. (0.00000) RY (67)Mo 21 s( 3.06%)p10.42( 31.91%)d 1.87( 5.73%) f10.98( 33.61%)g 8.39( 25.69%) 984. (0.00000) RY (68)Mo 21 s( 0.08%)p86.95( 6.57%)d99.99( 18.28%) f99.99( 41.04%)g99.99( 34.03%) 985. (0.00000) RY (69)Mo 21 s( 0.49%)p59.60( 29.22%)d48.42( 23.74%) f41.40( 20.30%)g53.53( 26.25%) 986. (0.00000) RY (70)Mo 21 s( 10.33%)p 0.59( 6.07%)d 2.13( 21.95%) f 4.03( 41.63%)g 1.94( 20.01%) 987. (0.00000) RY (71)Mo 21 s( 1.94%)p 0.40( 0.77%)d15.51( 30.08%) f17.64( 34.21%)g17.02( 33.01%) 988. (0.00696) RY ( 1) S 22 s( 4.48%)p 1.50( 6.73%)d19.49( 87.26%) f 0.31( 1.37%)g 0.04( 0.17%) 0.0000 0.0000 -0.0107 0.2058 0.0479 -0.0021 0.0006 -0.0001 0.0000 0.0000 -0.0209 -0.0117 -0.0335 -0.0054 -0.0003 0.0000 -0.0040 -0.0313 -0.0195 0.0146 0.0002 0.0000 -0.0190 -0.2517 -0.0015 0.0163 0.0003 0.0942 0.0071 -0.0098 -0.0002 -0.1908 -0.0003 -0.0075 0.0010 0.1606 -0.0494 0.0036 -0.0007 0.6744 0.1682 0.0087 -0.0023 -0.5168 -0.2204 0.0051 0.0006 -0.0033 -0.0436 -0.0735 -0.0160 0.0203 -0.0044 0.0194 0.0328 -0.0022 0.0260 0.0554 0.0119 -0.0037 0.0193 0.0091 -0.0124 -0.0008 -0.0196 0.0125 0.0080 0.0112 0.0253 -0.0064 989. (0.00390) RY ( 2) S 22 s( 0.40%)p43.52( 17.58%)d99.99( 79.70%) f 5.36( 2.16%)g 0.37( 0.15%) 0.0000 0.0000 -0.0053 0.0255 0.0579 0.0020 0.0019 -0.0001 0.0000 0.0000 -0.0934 0.1145 0.0021 -0.0026 0.0000 0.0000 0.0125 -0.3674 0.0001 0.0055 0.0000 0.0000 -0.0198 -0.1143 -0.0676 0.0281 -0.0002 -0.2728 -0.2408 0.0210 -0.0018 0.6865 0.0024 0.0245 -0.0053 -0.3342 -0.1508 0.0036 0.0006 0.1560 0.0444 0.0155 -0.0021 -0.0175 -0.1758 -0.0012 0.0013 -0.0009 -0.0410 0.0551 0.0907 0.0177 -0.0364 0.0265 0.0229 -0.0036 -0.0509 -0.0062 -0.0427 -0.0092 -0.0356 -0.0065 0.0088 0.0024 0.0054 -0.0080 -0.0004 -0.0277 -0.0082 -0.0214 990. (0.00247) RY ( 3) S 22 s( 4.64%)p 9.57( 44.42%)d10.50( 48.76%) f 0.46( 2.14%)g 0.01( 0.04%) 0.0000 0.0000 -0.0070 0.2129 0.0323 0.0030 0.0002 0.0001 -0.0001 0.0000 -0.0685 0.5336 0.0939 -0.0296 0.0000 0.0000 0.0050 0.2853 -0.1089 -0.0037 -0.0004 0.0000 -0.0160 0.2265 -0.0053 -0.0155 -0.0001 0.3596 0.2082 -0.0187 0.0007 0.4117 0.2232 0.0078 -0.0024 0.2775 0.0247 -0.0020 -0.0008 0.0446 0.1175 -0.0048 -0.0006 0.0411 0.0068 -0.0034 0.0007 0.0303 -0.0305 0.0475 0.0856 0.0000 0.0034 -0.0045 0.0510 0.0209 0.0557 -0.0281 0.0147 0.0154 0.0510 -0.0001 0.0030 0.0015 0.0059 0.0021 0.0112 0.0043 0.0063 0.0118 991. (0.00156) RY ( 4) S 22 s( 1.30%)p26.67( 34.55%)d47.24( 61.20%) f 2.24( 2.91%)g 0.03( 0.04%) 0.0000 0.0000 -0.0038 0.1137 -0.0030 -0.0020 0.0006 0.0001 0.0000 0.0000 0.0020 0.1173 -0.0475 -0.0011 -0.0004 0.0000 0.0183 0.5544 0.1010 0.0099 -0.0014 0.0000 -0.0005 -0.0954 -0.0487 -0.0041 0.0000 -0.6482 -0.1838 -0.0204 0.0022 0.0015 0.2388 -0.0030 0.0022 0.0633 0.1991 0.0068 -0.0008 -0.1152 -0.0268 -0.0014 0.0047 -0.1930 -0.0743 -0.0121 0.0023 0.0404 -0.0341 -0.0614 0.0585 -0.0264 0.0079 0.0085 -0.0106 0.0417 -0.0820 -0.0580 0.0339 -0.0622 0.0358 -0.0026 -0.0014 0.0013 0.0138 0.0027 0.0040 -0.0091 0.0086 -0.0083 992. (0.00095) RY ( 5) S 22 s( 11.53%)p 1.25( 14.39%)d 5.94( 68.45%) f 0.47( 5.42%)g 0.02( 0.21%) 0.0000 0.0000 -0.0067 0.3394 -0.0059 -0.0068 0.0009 0.0001 -0.0001 0.0000 0.0029 0.0235 -0.0893 -0.0232 -0.0009 0.0000 0.0141 -0.1735 0.0834 -0.0508 0.0016 0.0000 -0.0169 0.3052 -0.0392 -0.0055 -0.0005 -0.2129 0.3336 -0.0181 0.0014 -0.2673 0.4248 -0.0386 0.0138 -0.4027 -0.0368 -0.0223 0.0023 0.1994 0.1283 0.0127 0.0042 0.2100 0.0961 -0.0129 0.0004 0.0722 -0.0256 -0.0141 0.0741 0.0037 -0.0236 -0.1370 0.1086 -0.0881 0.0286 0.0347 -0.0404 -0.0052 0.0057 -0.0161 0.0102 -0.0034 0.0230 -0.0102 0.0295 -0.0073 0.0121 -0.0052 993. (0.00068) RY ( 6) S 22 s( 23.86%)p 1.16( 27.78%)d 1.82( 43.41%) f 0.20( 4.69%)g 0.01( 0.27%) 0.0000 0.0000 -0.0030 0.4553 0.1764 -0.0111 -0.0044 -0.0002 -0.0003 0.0000 -0.0148 -0.3755 -0.1001 0.0062 -0.0014 0.0000 -0.0076 0.0887 -0.0080 0.0215 0.0001 0.0000 -0.0206 0.3369 0.0416 0.0492 -0.0002 -0.0779 -0.3071 0.0186 -0.0041 0.0842 -0.2407 0.0100 -0.0108 0.3071 -0.0068 0.0143 0.0014 0.1777 0.0917 0.0125 -0.0039 0.3641 -0.0240 0.0125 0.0012 -0.0192 -0.0281 0.0380 -0.0333 0.0545 0.0154 0.1689 0.0275 -0.0271 -0.0639 -0.0395 -0.0409 0.0497 0.0146 -0.0084 0.0186 0.0053 0.0155 -0.0130 -0.0365 0.0104 -0.0030 -0.0193 994. (0.00038) RY ( 7) S 22 s( 7.42%)p 3.02( 22.39%)d 8.64( 64.09%) f 0.71( 5.28%)g 0.11( 0.82%) 0.0000 0.0000 0.0143 0.2703 -0.0269 -0.0156 -0.0040 0.0002 0.0001 0.0000 -0.0093 -0.2537 -0.1401 0.0074 0.0001 0.0000 0.0149 0.0935 0.0355 -0.0318 -0.0001 0.0000 0.0418 0.1225 0.3343 0.0013 0.0017 0.1233 0.1315 -0.0024 -0.0062 0.2078 -0.1615 0.0210 -0.0107 -0.2895 0.0905 -0.0196 0.0028 -0.2876 0.2051 -0.0346 0.0130 -0.5126 0.2393 -0.0012 -0.0019 -0.1348 -0.0412 -0.0317 0.0364 -0.0079 -0.0352 0.0497 0.0533 -0.0740 0.0403 -0.1143 0.0169 0.0539 0.0252 -0.0489 0.0084 -0.0049 0.0640 -0.0289 -0.0072 0.0256 0.0039 0.0061 995. (0.00033) RY ( 8) S 22 s( 12.00%)p 2.49( 29.88%)d 3.46( 41.50%) f 1.35( 16.18%)g 0.04( 0.43%) 0.0000 0.0000 0.0041 -0.1635 0.3041 0.0289 0.0007 0.0009 0.0005 0.0000 0.0256 0.0740 0.1469 0.0893 -0.0024 0.0000 -0.0066 -0.2042 -0.1816 0.0262 -0.0016 0.0000 0.0199 0.3772 -0.2059 0.0506 -0.0046 -0.0325 -0.3571 0.0131 -0.0052 -0.1654 0.1906 0.0551 -0.0006 0.1143 -0.1378 0.0140 -0.0017 -0.1364 0.2232 0.0289 0.0017 -0.3153 0.1354 0.0137 -0.0032 0.0310 -0.0493 0.0361 -0.0669 -0.0863 0.0342 -0.1599 0.0658 -0.0214 -0.0276 -0.2715 0.0730 0.1409 -0.1184 0.0215 -0.0079 -0.0013 -0.0344 -0.0036 -0.0219 -0.0286 -0.0117 -0.0344 996. (0.00024) RY ( 9) S 22 s( 3.07%)p 8.80( 27.06%)d18.94( 58.22%) f 3.72( 11.43%)g 0.07( 0.22%) 0.0000 0.0000 0.0109 0.1597 0.0709 0.0080 0.0035 0.0005 -0.0003 0.0000 0.0125 -0.3068 -0.1104 -0.0180 0.0015 0.0000 0.0027 0.0821 0.0761 -0.0050 -0.0018 0.0000 0.0112 -0.2268 -0.3155 -0.0073 -0.0016 0.3910 -0.1255 -0.0126 -0.0024 0.0004 0.2836 0.0027 -0.0001 -0.1295 0.0296 -0.0159 0.0050 -0.2914 0.1588 0.0129 0.0052 0.0751 -0.4462 -0.0019 -0.0014 0.1513 -0.1000 -0.0829 0.1368 0.0176 -0.0355 -0.1044 0.0207 0.1165 0.0149 -0.1424 0.0300 -0.0857 0.0239 0.0110 0.0231 -0.0131 -0.0275 0.0094 -0.0156 -0.0118 -0.0094 0.0026 997. (0.00018) RY (10) S 22 s( 0.13%)p99.99( 26.14%)d99.99( 63.05%) f83.39( 10.62%)g 0.46( 0.06%) 0.0000 0.0000 0.0004 0.0317 -0.0134 -0.0093 -0.0001 0.0000 -0.0002 0.0000 0.0091 -0.1414 -0.1070 -0.0572 0.0005 0.0000 -0.0127 -0.0322 -0.4048 -0.0221 -0.0016 0.0000 -0.0011 -0.2465 0.0134 -0.0112 0.0002 -0.2768 0.3226 0.0057 0.0030 0.0484 0.0205 -0.0297 -0.0049 0.3315 -0.4613 0.0105 -0.0081 -0.2485 0.2397 0.0037 0.0034 0.0290 -0.0522 -0.0202 0.0033 0.0076 -0.0154 0.0268 0.0511 0.1182 -0.0679 -0.1107 0.0707 -0.2048 0.0974 0.0687 -0.0782 0.0657 -0.0134 0.0025 0.0183 -0.0066 -0.0005 0.0030 0.0033 0.0082 -0.0072 -0.0082 998. (0.00010) RY (11) S 22 s( 2.51%)p 6.58( 16.51%)d25.68( 64.45%) f 6.23( 15.64%)g 0.35( 0.89%) 999. (0.00006) RY (12) S 22 s( 8.78%)p 4.86( 42.69%)d 3.46( 30.36%) f 1.96( 17.23%)g 0.11( 0.93%) 1000. (0.00005) RY (13) S 22 s( 33.58%)p 0.85( 28.69%)d 0.79( 26.59%) f 0.32( 10.66%)g 0.01( 0.48%) 1001. (0.00003) RY (14) S 22 s( 6.07%)p 9.89( 60.09%)d 1.81( 11.01%) f 3.51( 21.29%)g 0.25( 1.54%) 1002. (0.00003) RY (15) S 22 s( 1.31%)p23.41( 30.70%)d23.71( 31.09%) f25.28( 33.16%)g 2.86( 3.75%) 1003. (0.00002) RY (16) S 22 s( 0.95%)p32.18( 30.44%)d24.93( 23.58%) f46.70( 44.16%)g 0.92( 0.87%) 1004. (0.00002) RY (17) S 22 s( 3.91%)p 3.56( 13.92%)d 8.11( 31.72%) f12.75( 49.88%)g 0.15( 0.57%) 1005. (0.00002) RY (18) S 22 s( 9.32%)p 3.50( 32.64%)d 3.32( 30.91%) f 2.84( 26.50%)g 0.07( 0.63%) 1006. (0.00001) RY (19) S 22 s( 6.09%)p 2.22( 13.55%)d 2.64( 16.10%) f10.32( 62.89%)g 0.22( 1.36%) 1007. (0.00001) RY (20) S 22 s( 8.34%)p 3.00( 25.03%)d 2.08( 17.33%) f 5.74( 47.88%)g 0.17( 1.42%) 1008. (0.00001) RY (21) S 22 s( 5.12%)p 4.99( 25.55%)d 5.16( 26.40%) f 7.60( 38.91%)g 0.78( 4.01%) 1009. (0.00000) RY (22) S 22 s( 3.43%)p 3.65( 12.50%)d 7.93( 27.17%) f16.13( 55.28%)g 0.47( 1.61%) 1010. (0.00001) RY (23) S 22 s( 1.21%)p22.81( 27.56%)d11.80( 14.25%) f45.24( 54.66%)g 1.92( 2.32%) 1011. (0.00001) RY (24) S 22 s( 11.86%)p 2.30( 27.25%)d 2.46( 29.16%) f 2.55( 30.27%)g 0.12( 1.46%) 1012. (0.00000) RY (25) S 22 s( 2.52%)p 3.89( 9.79%)d12.68( 31.95%) f10.24( 25.80%)g11.89( 29.94%) 1013. (0.00000) RY (26) S 22 s( 11.97%)p 1.15( 13.77%)d 1.61( 19.30%) f 1.32( 15.80%)g 3.27( 39.14%) 1014. (0.00000) RY (27) S 22 s( 0.64%)p 3.64( 2.35%)d17.37( 11.19%) f60.96( 39.28%)g72.21( 46.53%) 1015. (0.00000) RY (28) S 22 s( 7.99%)p 1.97( 15.70%)d 3.15( 25.16%) f 2.70( 21.59%)g 3.70( 29.57%) 1016. (0.00000) RY (29) S 22 s( 0.97%)p12.61( 12.25%)d46.30( 44.96%) f22.14( 21.50%)g20.93( 20.32%) 1017. (0.00000) RY (30) S 22 s( 7.13%)p 0.20( 1.44%)d 1.66( 11.83%) f 2.91( 20.79%)g 8.24( 58.81%) 1018. (0.00000) RY (31) S 22 s( 6.20%)p 1.39( 8.64%)d 2.72( 16.83%) f 5.66( 35.08%)g 5.36( 33.25%) 1019. (0.00000) RY (32) S 22 s( 2.15%)p11.54( 24.83%)d10.77( 23.17%) f10.18( 21.89%)g12.99( 27.96%) 1020. (0.00000) RY (33) S 22 s( 3.03%)p 5.52( 16.73%)d11.43( 34.64%) f10.49( 31.80%)g 4.55( 13.80%) 1021. (0.00000) RY (34) S 22 s( 6.84%)p 1.82( 12.47%)d 2.14( 14.63%) f 5.92( 40.50%)g 3.74( 25.57%) 1022. (0.00000) RY (35) S 22 s( 2.60%)p 2.72( 7.05%)d13.93( 36.15%) f12.94( 33.59%)g 7.94( 20.61%) 1023. (0.00000) RY (36) S 22 s( 1.49%)p 6.48( 9.63%)d14.96( 22.24%) f31.57( 46.91%)g13.28( 19.73%) 1024. (0.00000) RY (37) S 22 s( 2.66%)p 3.46( 9.21%)d18.41( 49.00%) f11.77( 31.33%)g 2.93( 7.79%) 1025. (0.00000) RY (38) S 22 s( 4.39%)p 3.52( 15.44%)d 3.74( 16.41%) f11.54( 50.62%)g 3.00( 13.14%) 1026. (0.00000) RY (39) S 22 s( 0.85%)p17.54( 14.83%)d47.93( 40.50%) f48.82( 41.25%)g 3.05( 2.58%) 1027. (0.00000) RY (40) S 22 s( 0.83%)p15.43( 12.73%)d91.27( 75.31%) f12.47( 10.29%)g 1.03( 0.85%) 1028. (0.00000) RY (41) S 22 s( 1.99%)p 2.96( 5.88%)d37.63( 74.75%) f 7.41( 14.72%)g 1.34( 2.67%) 1029. (0.00000) RY (42) S 22 s( 11.85%)p 1.78( 21.05%)d 1.85( 21.95%) f 3.11( 36.91%)g 0.70( 8.24%) 1030. (0.00000) RY (43) S 22 s( 99.06%)p 0.01( 0.79%)d 0.00( 0.07%) f 0.00( 0.05%)g 0.00( 0.03%) 1031. (0.00000) RY (44) S 22 s( 96.37%)p 0.02( 2.12%)d 0.01( 0.66%) f 0.00( 0.14%)g 0.01( 0.71%) 1032. (0.00000) RY (45) S 22 s( 1.91%)p46.69( 89.06%)d 3.68( 7.02%) f 0.32( 0.60%)g 0.74( 1.41%) 1033. (0.00000) RY (46) S 22 s( 2.79%)p29.87( 83.37%)d 2.71( 7.55%) f 0.43( 1.21%)g 1.82( 5.07%) 1034. (0.00000) RY (47) S 22 s( 36.82%)p 0.06( 2.08%)d 1.23( 45.18%) f 0.14( 5.33%)g 0.29( 10.60%) 1035. (0.00000) RY (48) S 22 s( 16.56%)p 0.59( 9.82%)d 3.36( 55.73%) f 0.70( 11.53%)g 0.38( 6.37%) 1036. (0.00000) RY (49) S 22 s( 27.29%)p 0.31( 8.43%)d 0.82( 22.25%) f 0.35( 9.62%)g 1.19( 32.42%) 1037. (0.00000) RY (50) S 22 s( 2.26%)p32.17( 72.85%)d 6.57( 14.88%) f 1.48( 3.36%)g 2.93( 6.63%) 1038. (0.00000) RY (51) S 22 s( 1.21%)p 5.55( 6.70%)d16.13( 19.46%) f17.35( 20.93%)g42.86( 51.70%) 1039. (0.00000) RY (52) S 22 s( 7.86%)p 1.22( 9.61%)d 4.23( 33.21%) f 2.70( 21.19%)g 3.58( 28.12%) 1040. (0.00000) RY (53) S 22 s( 10.57%)p 0.61( 6.45%)d 1.52( 16.06%) f 2.78( 29.34%)g 3.56( 37.60%) 1041. (0.00000) RY (54) S 22 s( 2.25%)p 4.52( 10.16%)d16.20( 36.42%) f 3.59( 8.08%)g19.16( 43.09%) 1042. (0.00000) RY (55) S 22 s( 20.30%)p 0.21( 4.31%)d 1.68( 34.19%) f 0.79( 16.05%)g 1.24( 25.16%) 1043. (0.00000) RY (56) S 22 s( 3.58%)p 3.12( 11.18%)d 7.13( 25.54%) f 8.44( 30.20%)g 8.24( 29.50%) 1044. (0.00000) RY (57) S 22 s( 2.44%)p 1.82( 4.44%)d 2.43( 5.93%) f13.80( 33.66%)g21.95( 53.54%) 1045. (0.00000) RY (58) S 22 s( 9.63%)p 0.99( 9.55%)d 2.49( 23.96%) f 2.49( 23.93%)g 3.42( 32.92%) 1046. (0.00000) RY (59) S 22 s( 10.81%)p 0.29( 3.14%)d 2.87( 31.06%) f 2.74( 29.62%)g 2.35( 25.37%) 1047. (0.00000) RY (60) S 22 s( 0.60%)p20.28( 12.13%)d48.62( 29.08%) f42.72( 25.55%)g54.57( 32.64%) 1048. (0.00000) RY (61) S 22 s( 0.20%)p19.79( 3.92%)d99.99( 24.37%) f96.65( 19.15%)g99.99( 52.36%) 1049. (0.01487) RY ( 1) S 23 s( 7.19%)p 0.79( 5.68%)d11.77( 84.64%) f 0.32( 2.31%)g 0.02( 0.17%) 0.0000 0.0000 -0.0156 0.2675 0.0104 -0.0013 -0.0001 0.0002 0.0000 0.0000 0.0360 0.0994 -0.0259 -0.0018 0.0006 0.0000 -0.0099 0.2067 0.0258 0.0042 -0.0003 0.0000 0.0303 -0.0140 -0.0189 0.0034 -0.0003 0.4980 -0.0064 0.0129 -0.0016 0.4825 0.0100 0.0097 -0.0003 0.3499 -0.0100 0.0085 -0.0006 0.4244 -0.0208 0.0186 -0.0021 0.2475 0.0205 -0.0004 -0.0012 0.0294 0.0175 -0.0091 0.0066 0.0698 0.0168 -0.0702 -0.0100 0.0189 0.0068 -0.1023 -0.0176 -0.0221 0.0019 -0.0197 -0.0065 0.0179 -0.0066 0.0142 0.0018 0.0201 0.0157 -0.0024 1050. (0.00936) RY ( 2) S 23 s( 0.20%)p97.89( 19.85%)d99.99( 75.75%) f18.99( 3.85%)g 1.68( 0.34%) 0.0000 0.0000 0.0006 0.0377 0.0246 -0.0012 -0.0005 0.0000 0.0000 0.0000 -0.0744 -0.1072 0.0338 -0.0082 0.0006 0.0000 -0.0524 -0.0115 0.0606 0.0071 0.0001 0.0000 -0.0901 -0.4069 0.0055 -0.0005 0.0001 0.4155 -0.0128 0.0090 -0.0015 -0.4054 -0.0028 -0.0129 0.0012 0.5136 0.0219 0.0175 -0.0020 -0.2826 -0.0173 -0.0076 -0.0001 -0.2741 -0.0144 -0.0035 0.0019 -0.0670 -0.0187 -0.0137 0.0043 -0.0235 -0.0186 -0.0226 -0.0109 -0.1216 -0.0369 -0.0026 0.0035 -0.1204 -0.0357 0.0030 0.0024 -0.0334 -0.0148 0.0071 0.0080 0.0217 0.0243 0.0297 1051. (0.00543) RY ( 3) S 23 s( 0.03%)p99.99( 31.78%)d99.99( 65.26%) f92.13( 2.68%)g 8.43( 0.25%) 0.0000 0.0000 0.0049 -0.0035 0.0157 0.0021 -0.0019 0.0001 0.0000 0.0000 0.0354 0.4199 -0.0622 0.0060 0.0005 0.0000 0.0326 0.2379 0.0287 -0.0123 0.0006 0.0000 0.0509 -0.2672 -0.0610 -0.0045 0.0000 -0.0858 -0.0389 0.0093 0.0011 -0.3333 -0.0275 -0.0062 -0.0002 -0.1473 -0.0326 0.0012 -0.0008 0.6006 0.0004 0.0224 -0.0035 -0.3842 -0.0129 -0.0029 0.0026 -0.0163 0.0275 0.0976 0.0348 -0.0264 0.0018 0.0757 0.0099 -0.0058 -0.0043 -0.0402 -0.0175 0.0786 0.0200 0.0301 -0.0177 0.0085 -0.0249 0.0049 0.0054 0.0153 0.0029 -0.0157 1052. (0.00401) RY ( 4) S 23 s( 2.03%)p10.71( 21.70%)d36.43( 73.84%) f 1.09( 2.22%)g 0.10( 0.21%) 0.0000 0.0000 0.0015 0.1418 0.0128 0.0020 -0.0017 0.0002 0.0001 0.0000 -0.0268 -0.0076 0.0709 -0.0044 0.0004 0.0000 -0.0163 0.0508 0.1092 -0.0013 -0.0004 0.0000 -0.0405 -0.4354 0.0723 0.0031 -0.0012 -0.2810 -0.0187 -0.0072 0.0024 -0.3121 -0.0329 -0.0192 0.0040 0.0454 0.0313 0.0167 -0.0059 0.0938 -0.0029 -0.0025 0.0027 0.7379 0.0566 0.0158 -0.0059 0.0068 0.0132 -0.0814 -0.0310 0.0780 0.0450 0.0039 0.0136 -0.0273 -0.0309 0.0460 0.0312 0.0336 0.0121 -0.0080 0.0197 0.0319 -0.0036 -0.0139 0.0075 0.0033 -0.0187 0.0044 1053. (0.00054) RY ( 5) S 23 s( 17.68%)p 1.69( 29.96%)d 2.66( 46.97%) f 0.29( 5.05%)g 0.02( 0.34%) 0.0000 0.0000 -0.0222 0.4156 0.0582 -0.0135 0.0021 0.0003 0.0000 0.0000 0.0423 0.3481 -0.0247 -0.0177 -0.0010 0.0000 -0.0622 -0.3608 -0.1414 -0.0020 0.0011 0.0000 -0.0252 0.0017 0.1452 -0.0048 0.0017 -0.4450 -0.0700 -0.0149 0.0053 0.1939 -0.0800 0.0361 0.0021 0.4043 -0.0365 0.0187 0.0024 -0.0549 -0.0854 0.0266 0.0026 -0.1729 0.1186 -0.0336 -0.0015 -0.1012 -0.0103 0.0564 -0.0747 -0.0058 0.0067 0.0087 -0.0560 -0.0987 -0.0509 0.1093 0.0351 0.0465 -0.0198 -0.0246 0.0302 -0.0140 -0.0014 -0.0156 0.0216 -0.0053 -0.0132 0.0280 1054. (0.00040) RY ( 6) S 23 s( 6.54%)p 5.22( 34.09%)d 8.41( 54.96%) f 0.51( 3.33%)g 0.17( 1.09%) 0.0000 0.0000 0.0088 0.2253 -0.1160 -0.0326 -0.0010 0.0006 0.0003 0.0000 -0.0262 0.0755 -0.2686 0.0234 -0.0022 0.0000 -0.0037 0.1597 -0.1413 -0.0059 0.0042 0.0000 0.0303 -0.4202 0.1933 -0.0376 0.0037 0.1423 -0.2314 0.0429 0.0066 0.2647 -0.2305 0.0335 0.0134 -0.4244 0.2448 -0.0719 0.0046 -0.2903 0.0237 -0.0144 -0.0086 -0.0858 0.1062 -0.0211 -0.0087 0.0211 0.0095 -0.0393 -0.0083 -0.0479 0.0729 0.0365 -0.0253 0.0297 -0.1041 0.0551 0.0555 -0.0594 0.0137 -0.0199 -0.0103 0.0164 -0.0424 -0.0339 0.0713 -0.0368 -0.0006 0.0265 1055. (0.00034) RY ( 7) S 23 s( 5.44%)p12.16( 66.13%)d 4.09( 22.24%) f 1.04( 5.68%)g 0.10( 0.52%) 0.0000 0.0000 0.0045 -0.0941 0.2112 -0.0008 0.0296 -0.0005 0.0001 0.0000 -0.0251 0.3545 0.4736 -0.0596 -0.0009 0.0000 0.0183 -0.4319 -0.2715 0.0423 0.0023 0.0000 0.0075 -0.1238 -0.1688 -0.0298 0.0001 0.2800 -0.1070 -0.0173 -0.0053 0.0106 0.1633 0.0122 0.0094 -0.2021 0.2043 0.0120 0.0004 -0.0051 0.0539 -0.0097 0.0085 0.1257 -0.0601 0.0004 0.0005 -0.0242 -0.0071 -0.0239 -0.0287 -0.0690 0.0373 0.1322 -0.1237 0.0611 0.0454 -0.0055 -0.0638 -0.0767 0.0054 -0.0109 0.0234 -0.0218 0.0284 0.0354 -0.0417 -0.0119 0.0050 -0.0079 1056. (0.00022) RY ( 8) S 23 s( 20.67%)p 1.81( 37.40%)d 1.71( 35.40%) f 0.27( 5.66%)g 0.04( 0.86%) 0.0000 0.0000 0.0028 0.4491 0.0663 0.0241 -0.0083 0.0001 0.0000 0.0000 0.0023 0.0471 -0.0612 0.0410 0.0055 0.0000 0.0046 0.1260 -0.0380 0.0105 0.0010 0.0000 0.0000 0.3698 -0.4596 0.0300 0.0037 0.1186 0.0292 -0.0082 0.0084 -0.3262 -0.0837 -0.0116 -0.0211 -0.1288 0.1936 0.0017 0.0073 -0.0837 -0.2635 0.0140 -0.0170 0.0645 0.2969 -0.0399 -0.0068 0.0210 -0.0674 -0.0178 -0.1244 -0.0736 0.0650 -0.0218 0.0017 -0.0612 -0.0547 -0.0533 0.1010 -0.0490 -0.0591 -0.0318 0.0568 -0.0232 0.0119 -0.0213 -0.0184 0.0058 -0.0147 0.0514 1057. (0.00012) RY ( 9) S 23 s( 3.20%)p15.61( 50.02%)d10.66( 34.17%) f 3.54( 11.34%)g 0.39( 1.25%) 0.0000 0.0000 0.0069 0.1673 0.0631 0.0031 -0.0058 0.0000 -0.0001 0.0000 -0.0072 0.0528 0.3039 -0.0361 0.0015 0.0000 0.0124 0.0433 0.4818 -0.0262 -0.0007 0.0000 0.0093 0.1817 0.3518 -0.1096 0.0005 0.1582 -0.2060 0.0072 0.0055 -0.0712 0.1443 0.0689 0.0136 -0.1711 -0.2153 -0.0418 -0.0126 -0.0292 0.2115 0.0730 0.0092 -0.0653 0.3186 -0.0947 -0.0110 -0.1333 0.0768 -0.0132 -0.1595 0.1307 -0.0490 0.0834 -0.0150 -0.0277 -0.0982 0.1568 0.0199 -0.0306 0.0339 -0.0080 0.0400 0.0100 0.0551 -0.0466 0.0180 0.0244 -0.0570 0.0374 1058. (0.00004) RY (10) S 23 s( 5.25%)p 5.78( 30.32%)d10.55( 55.38%) f 1.61( 8.43%)g 0.12( 0.61%) 1059. (0.00002) RY (11) S 23 s( 0.30%)p99.99( 60.36%)d99.99( 32.80%) f20.39( 6.15%)g 1.27( 0.38%) 1060. (0.00002) RY (12) S 23 s( 7.36%)p 2.73( 20.10%)d 3.35( 24.69%) f 6.19( 45.60%)g 0.30( 2.24%) 1061. (0.00001) RY (13) S 23 s( 3.44%)p14.02( 48.21%)d 7.27( 25.02%) f 5.93( 20.40%)g 0.85( 2.94%) 1062. (0.00001) RY (14) S 23 s( 9.09%)p 2.06( 18.68%)d 5.07( 46.12%) f 2.18( 19.82%)g 0.69( 6.29%) 1063. (0.00001) RY (15) S 23 s( 4.24%)p 4.03( 17.07%)d10.42( 44.15%) f 8.00( 33.91%)g 0.15( 0.63%) 1064. (0.00000) RY (16) S 23 s( 7.53%)p 2.10( 15.79%)d 6.99( 52.68%) f 3.02( 22.75%)g 0.17( 1.24%) 1065. (0.00001) RY (17) S 23 s( 5.59%)p 2.39( 13.33%)d12.32( 68.85%) f 1.98( 11.05%)g 0.21( 1.18%) 1066. (0.00001) RY (18) S 23 s( 1.91%)p 7.92( 15.14%)d38.42( 73.42%) f 4.75( 9.07%)g 0.24( 0.46%) 1067. (0.00000) RY (19) S 23 s( 1.80%)p 1.16( 2.09%)d25.02( 44.95%) f16.86( 30.28%)g11.63( 20.89%) 1068. (0.00000) RY (20) S 23 s( 1.00%)p 4.38( 4.37%)d29.75( 29.71%) f36.37( 36.32%)g28.65( 28.61%) 1069. (0.00000) RY (21) S 23 s( 3.02%)p 2.61( 7.88%)d 8.15( 24.57%) f12.22( 36.85%)g 9.18( 27.69%) 1070. (0.00000) RY (22) S 23 s( 0.74%)p 5.49( 4.04%)d14.72( 10.82%) f16.89( 12.41%)g97.94( 71.99%) 1071. (0.00000) RY (23) S 23 s( 0.50%)p10.82( 5.38%)d57.07( 28.37%) f99.99( 55.33%)g20.97( 10.43%) 1072. (0.00000) RY (24) S 23 s( 5.62%)p 2.75( 15.43%)d 3.26( 18.29%) f 8.88( 49.90%)g 1.92( 10.77%) 1073. (0.00000) RY (25) S 23 s( 0.45%)p16.93( 7.56%)d44.11( 19.69%) f45.47( 20.30%)g99.99( 52.01%) 1074. (0.00000) RY (26) S 23 s( 0.87%)p11.93( 10.33%)d30.23( 26.17%) f30.47( 26.37%)g41.90( 36.27%) 1075. (0.00000) RY (27) S 23 s( 0.67%)p15.20( 10.24%)d39.43( 26.56%) f38.55( 25.97%)g54.27( 36.56%) 1076. (0.00000) RY (28) S 23 s( 0.75%)p11.90( 8.88%)d29.57( 22.07%) f38.29( 28.57%)g53.25( 39.73%) 1077. (0.00000) RY (29) S 23 s( 5.93%)p 2.94( 17.44%)d 4.26( 25.25%) f 5.87( 34.77%)g 2.80( 16.60%) 1078. (0.00000) RY (30) S 23 s( 4.15%)p 1.49( 6.16%)d 5.58( 23.12%) f 9.01( 37.36%)g 7.05( 29.21%) 1079. (0.00000) RY (31) S 23 s( 5.18%)p 6.06( 31.41%)d 5.25( 27.20%) f 3.55( 18.37%)g 3.44( 17.84%) 1080. (0.00000) RY (32) S 23 s( 4.57%)p 1.72( 7.86%)d 5.49( 25.07%) f 8.35( 38.14%)g 5.34( 24.37%) 1081. (0.00000) RY (33) S 23 s( 5.22%)p 1.63( 8.53%)d 6.72( 35.07%) f 5.38( 28.07%)g 4.43( 23.11%) 1082. (0.00000) RY (34) S 23 s( 7.97%)p 3.23( 25.76%)d 3.77( 30.01%) f 3.84( 30.55%)g 0.72( 5.72%) 1083. (0.00000) RY (35) S 23 s( 7.81%)p 4.84( 37.78%)d 1.74( 13.60%) f 4.11( 32.12%)g 1.11( 8.69%) 1084. (0.00000) RY (36) S 23 s( 15.22%)p 0.51( 7.79%)d 1.40( 21.37%) f 2.56( 38.90%)g 1.10( 16.72%) 1085. (0.00000) RY (37) S 23 s( 16.02%)p 1.18( 18.89%)d 1.41( 22.61%) f 1.71( 27.44%)g 0.94( 15.04%) 1086. (0.00000) RY (38) S 23 s( 18.52%)p 0.80( 14.89%)d 1.26( 23.27%) f 1.23( 22.79%)g 1.11( 20.54%) 1087. (0.00000) RY (39) S 23 s( 6.99%)p 2.09( 14.61%)d 2.42( 16.93%) f 6.81( 47.57%)g 1.99( 13.91%) 1088. (0.00000) RY (40) S 23 s( 3.33%)p 2.70( 9.01%)d 6.77( 22.56%) f17.32( 57.68%)g 2.23( 7.43%) 1089. (0.00000) RY (41) S 23 s( 2.91%)p 2.07( 6.04%)d 4.88( 14.22%) f19.54( 56.95%)g 6.82( 19.87%) 1090. (0.00000) RY (42) S 23 s( 2.42%)p 4.64( 11.21%)d18.73( 45.25%) f12.61( 30.47%)g 4.41( 10.65%) 1091. (0.00000) RY (43) S 23 s( 7.92%)p 1.20( 9.47%)d 2.24( 17.74%) f 6.39( 50.57%)g 1.81( 14.31%) 1092. (0.00000) RY (44) S 23 s( 1.75%)p 8.74( 15.29%)d29.53( 51.67%) f15.36( 26.88%)g 2.52( 4.41%) 1093. (0.00000) RY (45) S 23 s( 5.45%)p 3.32( 18.10%)d 9.37( 51.03%) f 4.23( 23.05%)g 0.44( 2.37%) 1094. (0.00000) RY (46) S 23 s( 41.15%)p 0.29( 11.89%)d 0.57( 23.42%) f 0.51( 20.79%)g 0.07( 2.75%) 1095. (0.00000) RY (47) S 23 s( 9.25%)p 2.13( 19.65%)d 6.10( 56.44%) f 1.43( 13.25%)g 0.15( 1.41%) 1096. (0.00000) RY (48) S 23 s( 99.32%)p 0.00( 0.36%)d 0.00( 0.12%) f 0.00( 0.05%)g 0.00( 0.14%) 1097. (0.00000) RY (49) S 23 s( 93.95%)p 0.01( 0.70%)d 0.02( 2.28%) f 0.02( 2.15%)g 0.01( 0.92%) 1098. (0.00000) RY (50) S 23 s( 29.29%)p 1.32( 38.67%)d 0.43( 12.55%) f 0.32( 9.48%)g 0.34( 10.01%) 1099. (0.00000) RY (51) S 23 s( 14.65%)p 3.39( 49.60%)d 1.99( 29.16%) f 0.28( 4.16%)g 0.17( 2.43%) 1100. (0.00000) RY (52) S 23 s( 3.81%)p22.10( 84.16%)d 2.02( 7.70%) f 0.70( 2.67%)g 0.44( 1.68%) 1101. (0.00000) RY (53) S 23 s( 38.80%)p 0.67( 26.03%)d 0.14( 5.38%) f 0.18( 6.84%)g 0.59( 22.94%) 1102. (0.00000) RY (54) S 23 s( 4.44%)p 4.85( 21.55%)d12.44( 55.27%) f 1.28( 5.69%)g 2.94( 13.05%) 1103. (0.00000) RY (55) S 23 s( 0.61%)p 5.68( 3.47%)d58.87( 35.92%) f11.69( 7.13%)g86.65( 52.87%) 1104. (0.00000) RY (56) S 23 s( 0.53%)p17.40( 9.31%)d21.20( 11.33%) f32.05( 17.14%)g99.99( 61.69%) 1105. (0.00000) RY (57) S 23 s( 3.25%)p 7.51( 24.44%)d 4.30( 13.97%) f11.81( 38.42%)g 6.13( 19.93%) 1106. (0.00000) RY (58) S 23 s( 1.28%)p 3.02( 3.88%)d27.75( 35.63%) f43.49( 55.85%)g 2.61( 3.35%) 1107. (0.00000) RY (59) S 23 s( 1.23%)p12.54( 15.43%)d21.01( 25.85%) f18.61( 22.89%)g28.12( 34.60%) 1108. (0.00000) RY (60) S 23 s( 4.25%)p 3.81( 16.19%)d 6.86( 29.10%) f 5.56( 23.60%)g 6.33( 26.86%) 1109. (0.00000) RY (61) S 23 s( 9.64%)p 0.64( 6.13%)d 2.00( 19.31%) f 2.73( 26.32%)g 4.00( 38.60%) 1110. (0.01680) RY ( 1) S 24 s( 6.92%)p 0.69( 4.77%)d12.40( 85.85%) f 0.33( 2.31%)g 0.02( 0.16%) 0.0000 0.0000 -0.0153 0.2625 0.0087 -0.0009 -0.0001 0.0001 0.0000 0.0000 0.0339 -0.0923 -0.0267 -0.0012 0.0004 0.0000 0.0153 0.1859 -0.0332 -0.0036 0.0004 0.0000 -0.0285 0.0216 0.0079 -0.0029 0.0002 -0.3974 0.0048 -0.0092 0.0011 -0.5317 -0.0048 -0.0116 0.0002 0.2970 -0.0073 0.0055 -0.0003 0.4695 -0.0310 0.0184 -0.0020 0.3276 0.0121 0.0027 -0.0013 -0.0284 -0.0149 -0.0150 0.0035 -0.0742 -0.0158 0.0664 0.0089 0.0356 0.0067 -0.1001 -0.0136 -0.0017 -0.0070 -0.0224 0.0003 0.0189 0.0002 -0.0135 -0.0073 0.0164 0.0134 0.0069 1111. (0.00955) RY ( 2) S 24 s( 0.40%)p50.89( 20.47%)d99.99( 74.51%) f10.65( 4.28%)g 0.84( 0.34%) 0.0000 0.0000 -0.0006 0.0576 0.0264 -0.0010 -0.0005 0.0000 0.0000 0.0000 -0.0806 0.1432 0.0396 -0.0079 0.0007 0.0000 0.0475 0.0089 -0.0637 -0.0104 0.0005 0.0000 0.0998 -0.3994 -0.0079 0.0027 -0.0001 -0.4554 -0.0096 -0.0050 0.0013 0.3005 -0.0049 0.0088 -0.0005 0.5839 0.0242 0.0198 -0.0024 -0.2614 -0.0113 -0.0109 0.0001 -0.1908 -0.0146 -0.0028 0.0016 0.0701 0.0219 -0.0350 -0.0015 0.0183 0.0176 0.0540 0.0215 -0.1171 -0.0326 -0.0363 -0.0067 0.1213 0.0370 -0.0024 -0.0042 -0.0342 -0.0087 -0.0099 -0.0132 0.0175 0.0340 -0.0192 1112. (0.00566) RY ( 3) S 24 s( 0.05%)p99.99( 35.14%)d99.99( 62.50%) f39.56( 2.05%)g 4.88( 0.25%) 0.0000 0.0000 0.0060 0.0033 0.0215 0.0022 -0.0016 0.0000 0.0000 0.0000 0.0266 -0.4242 -0.0502 0.0018 0.0009 0.0000 -0.0263 0.2343 -0.0389 0.0110 -0.0007 0.0000 -0.0409 -0.3244 0.0641 0.0018 0.0001 0.1010 0.0449 -0.0063 -0.0015 0.3624 0.0194 0.0112 0.0000 -0.0448 -0.0075 0.0017 -0.0012 0.5994 -0.0160 0.0266 -0.0042 -0.3440 -0.0193 -0.0012 0.0026 0.0188 -0.0269 0.0851 0.0357 0.0269 0.0018 -0.0593 -0.0060 -0.0252 -0.0127 -0.0274 -0.0159 -0.0658 -0.0222 0.0281 0.0179 0.0093 -0.0245 -0.0125 -0.0119 0.0168 -0.0008 0.0125 1113. (0.00395) RY ( 4) S 24 s( 2.02%)p 8.31( 16.79%)d38.82( 78.45%) f 1.24( 2.50%)g 0.12( 0.24%) 0.0000 0.0000 0.0009 0.1416 0.0125 0.0006 -0.0020 0.0002 0.0000 0.0000 -0.0252 0.0282 0.0794 -0.0035 0.0005 0.0000 0.0167 0.0282 -0.0825 0.0030 -0.0001 0.0000 0.0420 -0.3825 -0.0648 -0.0033 0.0006 0.3477 0.0088 0.0086 -0.0029 0.3093 0.0154 0.0198 -0.0031 0.0582 0.0289 0.0171 -0.0047 0.0184 -0.0076 -0.0023 0.0019 0.7472 0.0602 0.0147 -0.0060 -0.0054 -0.0143 -0.0790 -0.0298 -0.0899 -0.0469 -0.0028 -0.0066 -0.0256 -0.0363 0.0585 0.0378 -0.0223 -0.0026 -0.0096 -0.0233 0.0308 -0.0059 0.0165 -0.0105 -0.0009 -0.0161 -0.0110 1114. (0.00054) RY ( 5) S 24 s( 16.29%)p 1.70( 27.73%)d 3.10( 50.56%) f 0.32( 5.15%)g 0.02( 0.26%) 0.0000 0.0000 -0.0231 0.4011 0.0381 -0.0093 0.0004 0.0002 -0.0001 0.0000 0.0441 -0.2855 -0.0238 -0.0072 -0.0019 0.0000 0.0637 -0.4019 0.0884 0.0055 -0.0002 0.0000 0.0249 0.0958 -0.1000 0.0032 -0.0009 0.4438 -0.0066 0.0289 -0.0046 -0.1601 0.1072 -0.0400 0.0009 0.4345 -0.1053 0.0316 -0.0005 -0.0456 -0.1443 0.0241 0.0048 -0.1873 0.0952 -0.0223 -0.0003 0.1148 0.0144 0.0537 -0.0664 0.0374 -0.0063 0.0222 0.0386 -0.1068 -0.0263 0.0976 0.0306 -0.0599 0.0355 -0.0210 -0.0274 -0.0191 0.0015 0.0116 -0.0147 -0.0065 0.0000 -0.0258 1115. (0.00039) RY ( 6) S 24 s( 7.90%)p 4.02( 31.76%)d 6.90( 54.53%) f 0.65( 5.11%)g 0.09( 0.70%) 0.0000 0.0000 0.0061 0.2786 -0.0239 -0.0261 0.0090 0.0006 0.0003 0.0000 -0.0273 -0.2587 -0.0867 0.0062 -0.0018 0.0000 0.0053 -0.0623 0.2392 -0.0095 -0.0047 0.0000 -0.0252 -0.4057 -0.1170 0.0472 -0.0035 -0.2071 0.2688 -0.0186 -0.0044 -0.2155 0.1558 -0.0363 -0.0135 -0.4067 0.3186 -0.0474 0.0018 -0.2542 -0.0230 -0.0086 -0.0045 -0.0390 0.1436 -0.0311 -0.0071 0.0155 -0.0065 -0.0400 -0.0343 0.0606 -0.0903 -0.0972 0.1016 0.0000 -0.0807 0.0436 0.0415 0.0785 0.0117 -0.0264 -0.0098 0.0042 -0.0297 0.0224 -0.0441 -0.0435 0.0068 -0.0300 1116. (0.00035) RY ( 7) S 24 s( 13.39%)p 5.07( 67.90%)d 1.02( 13.71%) f 0.31( 4.19%)g 0.06( 0.81%) 0.0000 0.0000 0.0002 0.2664 -0.2494 -0.0059 -0.0277 0.0006 0.0000 0.0000 0.0121 0.2245 -0.5248 0.0658 -0.0013 0.0000 0.0199 0.5123 -0.2375 0.0480 0.0009 0.0000 -0.0048 0.0421 -0.1590 -0.0082 -0.0014 0.1762 -0.0493 -0.0341 -0.0083 -0.0204 0.2264 0.0191 0.0024 0.0051 -0.0446 -0.0411 0.0019 -0.1483 -0.0292 0.0031 -0.0084 -0.1309 0.0810 0.0005 -0.0011 -0.0184 -0.0099 0.0187 0.0237 -0.0418 0.0233 0.1027 -0.0899 -0.0078 -0.1053 0.0238 0.0728 -0.0426 0.0281 0.0011 0.0259 0.0236 -0.0366 0.0357 -0.0614 -0.0159 0.0062 -0.0151 1117. (0.00022) RY ( 8) S 24 s( 14.68%)p 2.43( 35.62%)d 2.88( 42.30%) f 0.45( 6.57%)g 0.06( 0.83%) 0.0000 0.0000 0.0029 0.3716 0.0909 0.0202 -0.0079 0.0001 -0.0002 0.0000 0.0024 0.0092 0.0183 0.0209 0.0056 0.0000 -0.0141 -0.0451 -0.0671 0.0092 -0.0008 0.0000 -0.0001 0.3807 0.4505 -0.0237 -0.0025 -0.2115 -0.0436 -0.0113 -0.0115 0.3731 0.0697 0.0128 0.0179 -0.1412 0.1506 0.0172 0.0083 0.0437 -0.2639 -0.0009 -0.0054 0.0633 0.3340 -0.0376 -0.0080 -0.0381 0.0808 -0.0482 -0.1218 0.0698 -0.0774 0.0555 -0.0211 -0.0654 -0.0319 -0.0708 0.0929 0.0274 0.0805 -0.0292 -0.0582 -0.0262 0.0161 0.0246 0.0200 0.0118 0.0050 -0.0446 1118. (0.00013) RY ( 9) S 24 s( 1.31%)p43.27( 56.58%)d23.61( 30.88%) f 7.88( 10.30%)g 0.71( 0.93%) 0.0000 0.0000 0.0064 0.1071 0.0385 0.0069 -0.0063 0.0000 0.0001 0.0000 -0.0070 -0.0621 0.2953 -0.0312 0.0008 0.0000 -0.0161 -0.0308 -0.4780 0.0255 0.0013 0.0000 -0.0061 0.1519 -0.4612 0.0871 0.0010 -0.1786 0.2506 -0.0013 -0.0003 0.0887 -0.0835 -0.0714 -0.0097 -0.1478 -0.2593 -0.0694 -0.0117 0.0298 0.1481 0.0800 0.0101 -0.0490 0.2522 -0.0680 -0.0068 0.1235 -0.0682 0.0300 -0.1430 -0.1375 0.0475 -0.0333 -0.0072 -0.0663 -0.0578 0.1670 0.0152 0.0517 -0.0302 0.0026 -0.0363 0.0013 0.0392 0.0493 -0.0102 0.0246 -0.0421 -0.0384 1119. (0.00006) RY (10) S 24 s( 10.79%)p 2.30( 24.75%)d 5.11( 55.10%) f 0.82( 8.82%)g 0.05( 0.54%) 1120. (0.00003) RY (11) S 24 s( 1.66%)p23.06( 38.38%)d24.43( 40.66%) f10.78( 17.94%)g 0.82( 1.36%) 1121. (0.00002) RY (12) S 24 s( 1.97%)p12.36( 24.30%)d 8.88( 17.45%) f27.67( 54.38%)g 0.97( 1.91%) 1122. (0.00002) RY (13) S 24 s( 10.70%)p 4.68( 50.11%)d 2.14( 22.89%) f 1.47( 15.72%)g 0.05( 0.58%) 1123. (0.00001) RY (14) S 24 s( 2.15%)p 7.72( 16.58%)d30.94( 66.49%) f 6.55( 14.08%)g 0.33( 0.70%) 1124. (0.00001) RY (15) S 24 s( 8.66%)p 3.38( 29.31%)d 4.92( 42.60%) f 1.90( 16.47%)g 0.34( 2.96%) 1125. (0.00000) RY (16) S 24 s( 9.19%)p 0.93( 8.56%)d 2.81( 25.81%) f 5.31( 48.85%)g 0.83( 7.59%) 1126. (0.00000) RY (17) S 24 s( 13.09%)p 1.17( 15.26%)d 2.64( 34.50%) f 2.24( 29.31%)g 0.60( 7.85%) 1127. (0.00001) RY (18) S 24 s( 4.16%)p 3.19( 13.25%)d15.95( 66.34%) f 3.59( 14.93%)g 0.32( 1.32%) 1128. (0.00001) RY (19) S 24 s( 7.54%)p 2.30( 17.33%)d 8.68( 65.44%) f 1.16( 8.73%)g 0.13( 0.96%) 1129. (0.00000) RY (20) S 24 s( 2.73%)p 2.27( 6.19%)d18.01( 49.20%) f10.10( 27.60%)g 5.23( 14.28%) 1130. (0.00000) RY (21) S 24 s( 3.41%)p 3.04( 10.36%)d 8.54( 29.10%) f 8.60( 29.30%)g 8.17( 27.83%) 1131. (0.00000) RY (22) S 24 s( 2.52%)p 0.57( 1.44%)d15.93( 40.13%) f10.21( 25.73%)g11.98( 30.18%) 1132. (0.00000) RY (23) S 24 s( 0.28%)p26.32( 7.24%)d99.99( 43.51%) f99.99( 28.14%)g75.76( 20.83%) 1133. (0.00000) RY (24) S 24 s( 0.56%)p12.44( 6.93%)d40.39( 22.51%) f25.10( 13.98%)g99.99( 56.03%) 1134. (0.00000) RY (25) S 24 s( 1.23%)p 3.52( 4.32%)d13.78( 16.92%) f21.33( 26.20%)g41.80( 51.34%) 1135. (0.00000) RY (26) S 24 s( 0.61%)p 1.57( 0.96%)d28.77( 17.53%) f41.39( 25.22%)g91.38( 55.68%) 1136. (0.00000) RY (27) S 24 s( 0.10%)p42.89( 4.31%)d99.99( 26.52%) f99.99( 47.68%)g99.99( 21.39%) 1137. (0.00000) RY (28) S 24 s( 0.71%)p44.46( 31.46%)d18.08( 12.79%) f29.55( 20.91%)g48.24( 34.13%) 1138. (0.00000) RY (29) S 24 s( 5.60%)p 5.87( 32.87%)d 3.29( 18.42%) f 5.96( 33.36%)g 1.74( 9.75%) 1139. (0.00000) RY (30) S 24 s( 3.22%)p 1.41( 4.55%)d 4.21( 13.52%) f10.93( 35.16%)g13.55( 43.56%) 1140. (0.00000) RY (31) S 24 s( 6.57%)p 2.41( 15.81%)d 2.62( 17.19%) f 7.95( 52.22%)g 1.25( 8.21%) 1141. (0.00000) RY (32) S 24 s( 20.51%)p 0.99( 20.40%)d 0.40( 8.26%) f 0.94( 19.31%)g 1.54( 31.52%) 1142. (0.00000) RY (33) S 24 s( 4.05%)p 1.86( 7.54%)d 8.21( 33.25%) f 8.67( 35.14%)g 4.94( 20.02%) 1143. (0.00000) RY (34) S 24 s( 2.60%)p 4.82( 12.54%)d 8.53( 22.19%) f16.28( 42.36%)g 7.81( 20.31%) 1144. (0.00000) RY (35) S 24 s( 37.00%)p 0.35( 12.89%)d 0.23( 8.42%) f 0.98( 36.22%)g 0.15( 5.47%) 1145. (0.00000) RY (36) S 24 s( 0.44%)p17.95( 7.91%)d82.32( 36.27%) f56.23( 24.78%)g69.43( 30.60%) 1146. (0.00000) RY (37) S 24 s( 0.87%)p28.67( 24.89%)d32.96( 28.61%) f48.80( 42.36%)g 3.77( 3.28%) 1147. (0.00000) RY (38) S 24 s( 3.16%)p 5.73( 18.14%)d 7.87( 24.91%) f10.33( 32.69%)g 6.67( 21.11%) 1148. (0.00000) RY (39) S 24 s( 10.64%)p 1.31( 13.97%)d 1.52( 16.21%) f 4.73( 50.32%)g 0.83( 8.87%) 1149. (0.00000) RY (40) S 24 s( 3.66%)p 4.04( 14.80%)d 3.92( 14.36%) f12.82( 46.93%)g 5.53( 20.26%) 1150. (0.00000) RY (41) S 24 s( 6.91%)p 0.62( 4.25%)d 3.17( 21.92%) f 7.60( 52.49%)g 2.09( 14.44%) 1151. (0.00000) RY (42) S 24 s( 4.02%)p 1.47( 5.91%)d 5.42( 21.80%) f15.31( 61.51%)g 1.68( 6.76%) 1152. (0.00000) RY (43) S 24 s( 4.88%)p 4.51( 21.98%)d 6.94( 33.84%) f 6.38( 31.12%)g 1.68( 8.18%) 1153. (0.00000) RY (44) S 24 s( 1.27%)p12.55( 15.90%)d37.02( 46.89%) f23.67( 29.98%)g 4.71( 5.96%) 1154. (0.00000) RY (45) S 24 s( 23.12%)p 0.57( 13.25%)d 1.94( 44.78%) f 0.59( 13.70%)g 0.22( 5.14%) 1155. (0.00000) RY (46) S 24 s( 5.86%)p 2.82( 16.53%)d10.69( 62.69%) f 1.99( 11.69%)g 0.55( 3.22%) 1156. (0.00000) RY (47) S 24 s( 8.80%)p 2.54( 22.32%)d 5.90( 51.93%) f 1.85( 16.32%)g 0.07( 0.63%) 1157. (0.00000) RY (48) S 24 s( 97.18%)p 0.02( 2.04%)d 0.00( 0.23%) f 0.00( 0.33%)g 0.00( 0.23%) 1158. (0.00000) RY (49) S 24 s( 87.37%)p 0.10( 8.42%)d 0.01( 1.14%) f 0.02( 1.77%)g 0.01( 1.30%) 1159. (0.00000) RY (50) S 24 s( 23.01%)p 2.73( 62.73%)d 0.17( 3.99%) f 0.22( 5.16%)g 0.22( 5.11%) 1160. (0.00000) RY (51) S 24 s( 32.16%)p 0.80( 25.65%)d 0.96( 30.94%) f 0.26( 8.46%)g 0.09( 2.80%) 1161. (0.00000) RY (52) S 24 s( 8.61%)p 7.72( 66.51%)d 2.41( 20.73%) f 0.32( 2.76%)g 0.16( 1.39%) 1162. (0.00000) RY (53) S 24 s( 4.19%)p 1.35( 5.65%)d 4.44( 18.62%) f10.46( 43.86%)g 6.60( 27.68%) 1163. (0.00000) RY (54) S 24 s( 22.87%)p 0.89( 20.29%)d 1.52( 34.85%) f 0.21( 4.80%)g 0.75( 17.19%) 1164. (0.00000) RY (55) S 24 s( 1.36%)p37.20( 50.43%)d14.85( 20.13%) f 4.95( 6.70%)g15.77( 21.38%) 1165. (0.00000) RY (56) S 24 s( 3.01%)p 9.46( 28.51%)d 4.37( 13.18%) f 6.30( 18.99%)g12.05( 36.32%) 1166. (0.00000) RY (57) S 24 s( 8.34%)p 1.47( 12.30%)d 4.87( 40.62%) f 1.46( 12.17%)g 3.19( 26.57%) 1167. (0.00000) RY (58) S 24 s( 1.46%)p 3.75( 5.49%)d13.40( 19.62%) f25.78( 37.74%)g24.38( 35.68%) 1168. (0.00000) RY (59) S 24 s( 0.87%)p 6.08( 5.30%)d38.26( 33.33%) f41.96( 36.55%)g27.49( 23.95%) 1169. (0.00000) RY (60) S 24 s( 7.65%)p 1.38( 10.58%)d 3.67( 28.09%) f 3.23( 24.72%)g 3.79( 28.96%) 1170. (0.00000) RY (61) S 24 s( 3.57%)p 1.52( 5.44%)d 4.83( 17.22%) f 3.25( 11.59%)g17.42( 62.19%) 1171. (0.00738) RY ( 1) S 25 s( 3.59%)p 2.09( 7.52%)d24.24( 87.11%) f 0.45( 1.61%)g 0.05( 0.17%) 0.0000 0.0000 -0.0092 0.1867 0.0316 -0.0009 -0.0002 -0.0001 0.0000 0.0000 -0.0013 -0.0105 -0.0419 -0.0076 -0.0004 0.0000 0.0022 -0.1118 0.0315 -0.0026 0.0000 0.0000 0.0145 0.2436 -0.0014 -0.0133 -0.0002 -0.0761 -0.0200 0.0076 0.0009 0.2654 -0.0069 0.0129 -0.0022 0.1994 0.0224 -0.0005 0.0001 0.6732 0.1581 0.0060 -0.0023 -0.4832 -0.2054 0.0055 0.0008 0.0085 0.0389 -0.0819 -0.0225 -0.0233 -0.0097 -0.0274 -0.0345 0.0104 0.0294 0.0572 0.0182 0.0102 -0.0043 0.0077 0.0119 0.0051 -0.0141 -0.0177 -0.0109 0.0068 0.0269 0.0102 1172. (0.00404) RY ( 2) S 25 s( 0.42%)p70.11( 29.65%)d99.99( 68.24%) f 3.69( 1.56%)g 0.29( 0.12%) 0.0000 0.0000 -0.0046 0.0010 0.0648 -0.0005 0.0015 -0.0001 0.0001 0.0000 -0.0837 -0.0417 -0.0061 0.0076 0.0002 0.0000 -0.0095 0.4819 -0.0117 -0.0052 -0.0004 0.0000 0.0153 0.2265 0.0508 -0.0335 0.0001 0.1900 0.2481 -0.0193 0.0028 -0.5701 0.0695 -0.0276 0.0050 -0.3508 -0.1698 0.0019 0.0014 0.1768 0.0379 0.0160 -0.0016 -0.1621 -0.2065 -0.0017 0.0013 0.0125 0.0436 0.0398 0.0608 -0.0101 0.0329 -0.0299 -0.0037 -0.0241 -0.0357 -0.0010 -0.0539 0.0066 0.0371 -0.0071 -0.0048 0.0041 -0.0040 0.0080 0.0126 -0.0250 -0.0090 0.0136 1173. (0.00275) RY ( 3) S 25 s( 4.41%)p 9.58( 42.24%)d11.60( 51.15%) f 0.49( 2.17%)g 0.01( 0.03%) 0.0000 0.0000 -0.0075 0.2042 0.0481 0.0030 0.0006 0.0001 -0.0001 0.0000 -0.0811 0.5452 0.0831 -0.0327 0.0000 0.0000 -0.0119 -0.2244 0.0922 -0.0017 0.0005 0.0000 0.0176 -0.2255 0.0204 0.0042 0.0002 -0.3099 -0.1009 0.0160 -0.0003 -0.5329 -0.2196 -0.0145 0.0033 0.1687 0.0000 0.0022 -0.0004 0.1427 0.1298 0.0009 -0.0023 0.0817 -0.0165 -0.0010 0.0007 -0.0281 0.0333 0.0636 0.0950 -0.0024 0.0097 -0.0051 -0.0586 0.0179 0.0310 -0.0196 0.0136 -0.0003 -0.0366 0.0007 -0.0073 0.0011 0.0049 0.0043 -0.0100 -0.0069 0.0065 -0.0062 1174. (0.00169) RY ( 4) S 25 s( 1.95%)p12.77( 24.85%)d36.36( 70.75%) f 1.21( 2.36%)g 0.05( 0.09%) 0.0000 0.0000 -0.0073 0.1372 -0.0243 -0.0010 0.0004 0.0001 0.0000 0.0000 -0.0269 0.1072 -0.0551 -0.0068 0.0001 0.0000 -0.0238 -0.4663 -0.1132 0.0037 0.0011 0.0000 0.0143 0.0395 0.0243 -0.0047 -0.0002 0.7701 0.1960 0.0140 -0.0030 -0.0875 -0.1626 0.0126 -0.0055 0.0088 0.1799 0.0043 -0.0017 -0.0040 -0.0174 0.0016 0.0022 0.0290 -0.0891 -0.0047 -0.0012 -0.0430 0.0139 -0.0038 0.0418 0.0312 -0.0150 0.0188 -0.0020 0.0259 -0.1029 -0.0182 -0.0038 0.0745 -0.0323 -0.0039 0.0047 -0.0013 0.0087 0.0042 -0.0080 -0.0238 -0.0077 0.0085 1175. (0.00096) RY ( 5) S 25 s( 15.07%)p 0.68( 10.20%)d 4.61( 69.54%) f 0.32( 4.83%)g 0.02( 0.35%) 0.0000 0.0000 -0.0072 0.3855 -0.0443 -0.0103 -0.0008 0.0003 0.0000 0.0000 -0.0030 0.0023 -0.1029 -0.0296 0.0002 0.0000 -0.0182 0.1889 -0.0717 0.0499 -0.0017 0.0000 0.0184 -0.2107 -0.0450 0.0114 -0.0005 0.1307 -0.4294 0.0216 0.0011 0.2188 -0.3625 0.0366 -0.0084 -0.5096 -0.0808 -0.0230 0.0020 0.1436 0.0792 0.0041 0.0054 0.1027 0.0910 -0.0156 0.0005 -0.0587 0.0306 -0.0364 0.0949 -0.0304 0.0519 0.0819 -0.0938 -0.1001 0.0449 0.0135 -0.0278 -0.0355 0.0158 -0.0305 -0.0120 -0.0019 0.0311 0.0252 -0.0186 -0.0137 0.0177 0.0043 1176. (0.00064) RY ( 6) S 25 s( 16.10%)p 1.46( 23.43%)d 3.32( 53.45%) f 0.42( 6.74%)g 0.02( 0.27%) 0.0000 0.0000 -0.0040 0.3870 0.1048 -0.0160 -0.0057 -0.0004 -0.0004 0.0000 -0.0172 -0.3803 -0.1201 0.0025 -0.0010 0.0000 0.0082 -0.0169 0.0468 -0.0321 -0.0001 0.0000 0.0275 -0.2369 -0.1161 -0.0323 -0.0005 0.0006 0.0911 -0.0058 -0.0028 -0.1103 0.3737 -0.0114 0.0122 0.1336 0.0716 0.0072 0.0029 0.3038 0.0208 0.0093 -0.0050 0.5070 -0.0323 0.0103 0.0022 0.0165 -0.0058 0.0233 -0.0598 -0.0089 -0.0065 -0.2366 -0.0083 -0.0161 -0.0255 0.0225 -0.0697 0.0211 -0.0100 -0.0089 -0.0135 0.0018 0.0247 0.0081 0.0402 0.0113 0.0011 -0.0029 1177. (0.00046) RY ( 7) S 25 s( 12.42%)p 2.13( 26.50%)d 4.16( 51.69%) f 0.73( 9.12%)g 0.02( 0.28%) 0.0000 0.0000 0.0080 0.2388 0.2587 0.0105 -0.0016 0.0007 0.0002 0.0000 0.0107 -0.1683 0.0082 0.0642 -0.0026 0.0000 -0.0016 0.1011 -0.0384 -0.0124 0.0000 0.0000 -0.0284 -0.4612 0.0727 -0.0416 0.0027 -0.0214 0.4338 0.0075 0.0074 0.0766 -0.1548 -0.0572 0.0052 0.1032 -0.0626 0.0022 -0.0009 -0.2024 0.2795 0.0084 0.0083 -0.3645 0.1684 0.0018 0.0004 0.0195 0.0751 -0.0185 -0.0097 0.0606 -0.0209 0.0444 -0.0790 0.0340 -0.0647 -0.2290 0.0356 -0.0990 0.0593 -0.0080 -0.0025 0.0008 0.0036 0.0158 0.0371 -0.0194 -0.0096 0.0242 1178. (0.00037) RY ( 8) S 25 s( 5.47%)p 5.65( 30.92%)d10.61( 58.06%) f 0.87( 4.76%)g 0.15( 0.80%) 0.0000 0.0000 -0.0103 -0.1236 0.1979 0.0141 0.0039 0.0001 -0.0001 0.0000 0.0158 0.1047 0.1129 0.0077 -0.0010 0.0000 0.0156 0.3035 0.1539 0.0230 0.0007 0.0000 0.0312 -0.0025 0.4072 -0.0421 0.0030 0.1404 0.1204 -0.0162 -0.0011 0.2395 -0.3117 0.0059 -0.0129 0.3263 -0.2214 -0.0210 0.0033 0.1466 -0.0213 0.0497 -0.0069 0.4053 -0.2158 0.0108 -0.0011 -0.1426 0.0047 0.0376 -0.0093 0.0020 -0.0222 0.1271 -0.0088 -0.0043 -0.0172 0.0343 -0.0405 0.0448 0.0620 0.0441 -0.0069 0.0015 -0.0692 -0.0176 0.0014 -0.0257 -0.0125 0.0070 1179. (0.00028) RY ( 9) S 25 s( 5.77%)p 5.96( 34.36%)d 9.42( 54.31%) f 0.93( 5.34%)g 0.04( 0.22%) 0.0000 0.0000 0.0115 0.2388 -0.0233 -0.0023 -0.0001 0.0003 -0.0004 0.0000 0.0019 -0.3649 -0.1974 -0.0539 0.0017 0.0000 0.0073 -0.0970 0.1847 0.0158 0.0010 0.0000 -0.0194 0.3216 0.1443 0.0126 0.0009 -0.0412 -0.2932 0.0259 -0.0008 -0.1679 -0.0947 0.0189 0.0032 0.2197 -0.0771 -0.0075 0.0001 -0.4136 0.3230 -0.0072 0.0060 -0.0170 -0.2948 -0.0159 0.0028 -0.0597 0.0886 -0.0367 0.1458 -0.0488 0.0286 0.0868 -0.0467 -0.0125 0.0402 -0.0339 -0.0320 -0.0407 -0.0291 -0.0014 -0.0338 -0.0030 -0.0080 -0.0114 0.0230 0.0060 0.0020 -0.0170 1180. (0.00019) RY (10) S 25 s( 0.13%)p99.99( 22.96%)d99.99( 63.65%) f99.99( 13.22%)g 0.35( 0.04%) 0.0000 0.0000 0.0019 0.0014 0.0356 -0.0024 0.0031 0.0003 0.0001 0.0000 0.0140 -0.0663 -0.0968 0.0038 -0.0007 0.0000 -0.0075 -0.0905 -0.3943 0.0014 -0.0007 0.0000 0.0092 0.0966 0.2063 -0.0010 0.0004 -0.3976 0.2511 0.0298 0.0058 0.0709 -0.1663 -0.0096 -0.0030 -0.2968 0.4008 -0.0274 0.0095 -0.0053 -0.0177 0.0203 0.0014 0.1760 -0.3165 -0.0104 -0.0011 -0.1360 0.0909 -0.0942 0.0751 0.0557 -0.0393 0.0222 -0.0089 0.2403 -0.0997 -0.0775 0.0144 0.0902 -0.0604 -0.0031 -0.0060 0.0105 -0.0010 -0.0054 0.0005 -0.0002 0.0121 -0.0107 1181. (0.00010) RY (11) S 25 s( 7.08%)p 1.85( 13.12%)d 8.59( 60.80%) f 2.49( 17.66%)g 0.19( 1.35%) 0.0000 0.0000 0.0038 0.2532 -0.0714 0.0392 0.0023 0.0009 -0.0004 0.0000 -0.0106 -0.1183 0.0561 0.0403 0.0039 0.0000 0.0056 -0.0612 -0.1234 -0.0064 -0.0026 0.0000 -0.0135 -0.2913 0.0902 0.0080 0.0023 -0.0498 -0.0427 -0.0041 -0.0029 -0.0546 0.0448 0.0399 -0.0227 0.0587 -0.1799 0.0237 -0.0018 -0.1086 -0.5955 0.0361 -0.0156 -0.2435 -0.3627 0.0363 -0.0049 -0.1209 0.0263 0.1708 -0.0383 -0.0403 0.0140 0.1478 0.1092 -0.0263 0.0503 0.2842 0.1027 -0.0163 0.0159 0.0449 0.0202 0.0174 -0.0567 -0.0443 -0.0698 0.0102 -0.0244 0.0066 1182. (0.00006) RY (12) S 25 s( 18.74%)p 2.36( 44.22%)d 1.31( 24.46%) f 0.63( 11.75%)g 0.04( 0.82%) 1183. (0.00005) RY (13) S 25 s( 9.09%)p 2.79( 25.33%)d 4.25( 38.59%) f 2.89( 26.26%)g 0.08( 0.73%) 1184. (0.00003) RY (14) S 25 s( 7.49%)p 7.91( 59.21%)d 2.39( 17.87%) f 1.85( 13.87%)g 0.21( 1.56%) 1185. (0.00002) RY (15) S 25 s( 7.16%)p 5.01( 35.87%)d 4.94( 35.32%) f 2.61( 18.66%)g 0.42( 2.99%) 1186. (0.00002) RY (16) S 25 s( 8.75%)p 3.32( 29.04%)d 2.97( 25.99%) f 4.06( 35.58%)g 0.07( 0.64%) 1187. (0.00002) RY (17) S 25 s( 20.85%)p 1.50( 31.24%)d 1.33( 27.66%) f 0.95( 19.72%)g 0.03( 0.54%) 1188. (0.00001) RY (18) S 25 s( 4.95%)p 1.66( 8.24%)d 1.39( 6.86%) f15.56( 77.00%)g 0.59( 2.94%) 1189. (0.00001) RY (19) S 25 s( 1.10%)p14.44( 15.90%)d12.49( 13.75%) f60.06( 66.15%)g 2.82( 3.10%) 1190. (0.00001) RY (20) S 25 s( 1.39%)p16.53( 22.97%)d10.60( 14.73%) f42.42( 58.96%)g 1.41( 1.95%) 1191. (0.00001) RY (21) S 25 s( 8.93%)p 3.39( 30.31%)d 2.87( 25.60%) f 3.44( 30.72%)g 0.50( 4.45%) 1192. (0.00001) RY (22) S 25 s( 8.51%)p 1.89( 16.11%)d 2.59( 22.09%) f 6.09( 51.86%)g 0.17( 1.43%) 1193. (0.00000) RY (23) S 25 s( 18.28%)p 0.52( 9.60%)d 1.00( 18.22%) f 1.51( 27.66%)g 1.44( 26.25%) 1194. (0.00000) RY (24) S 25 s( 9.37%)p 1.32( 12.35%)d 2.39( 22.43%) f 2.08( 19.53%)g 3.88( 36.32%) 1195. (0.00000) RY (25) S 25 s( 1.21%)p 1.75( 2.12%)d 9.09( 11.02%) f19.07( 23.12%)g51.56( 62.52%) 1196. (0.00000) RY (26) S 25 s( 1.97%)p 3.86( 7.62%)d16.09( 31.75%) f11.41( 22.50%)g18.33( 36.16%) 1197. (0.00000) RY (27) S 25 s( 0.63%)p23.19( 14.71%)d41.29( 26.19%) f31.51( 19.99%)g60.66( 38.48%) 1198. (0.00000) RY (28) S 25 s( 3.11%)p 1.67( 5.19%)d 7.07( 21.96%) f14.04( 43.62%)g 8.41( 26.12%) 1199. (0.00000) RY (29) S 25 s( 6.58%)p 2.83( 18.60%)d 3.44( 22.64%) f 3.28( 21.56%)g 4.66( 30.62%) 1200. (0.00000) RY (30) S 25 s( 4.01%)p 2.25( 9.03%)d 3.10( 12.44%) f 5.49( 22.03%)g13.09( 52.50%) 1201. (0.00000) RY (31) S 25 s( 4.84%)p 4.34( 21.04%)d 6.95( 33.68%) f 4.85( 23.47%)g 3.51( 16.98%) 1202. (0.00000) RY (32) S 25 s( 7.13%)p 0.93( 6.63%)d 5.46( 38.91%) f 4.29( 30.61%)g 2.34( 16.71%) 1203. (0.00000) RY (33) S 25 s( 7.87%)p 0.94( 7.43%)d 2.57( 20.28%) f 3.75( 29.51%)g 4.43( 34.90%) 1204. (0.00000) RY (34) S 25 s( 2.53%)p 4.31( 10.92%)d19.32( 48.91%) f12.16( 30.78%)g 2.71( 6.85%) 1205. (0.00000) RY (35) S 25 s( 1.15%)p10.28( 11.78%)d13.98( 16.01%) f57.26( 65.56%)g 4.81( 5.51%) 1206. (0.00000) RY (36) S 25 s( 0.62%)p45.43( 28.17%)d40.65( 25.21%) f61.12( 37.90%)g13.05( 8.10%) 1207. (0.00000) RY (37) S 25 s( 1.78%)p 9.87( 17.55%)d19.26( 34.25%) f21.91( 38.96%)g 4.20( 7.46%) 1208. (0.00000) RY (38) S 25 s( 1.02%)p 7.78( 7.97%)d65.16( 66.72%) f21.51( 22.02%)g 2.22( 2.27%) 1209. (0.00000) RY (39) S 25 s( 3.74%)p 3.13( 11.71%)d12.60( 47.12%) f 8.29( 30.99%)g 1.72( 6.44%) 1210. (0.00000) RY (40) S 25 s( 2.07%)p 3.51( 7.26%)d23.88( 49.45%) f18.29( 37.86%)g 1.62( 3.35%) 1211. (0.00000) RY (41) S 25 s( 3.10%)p 5.93( 18.42%)d14.42( 44.75%) f10.26( 31.85%)g 0.60( 1.87%) 1212. (0.00000) RY (42) S 25 s( 2.18%)p 9.59( 20.92%)d 9.86( 21.52%) f24.02( 52.40%)g 1.37( 2.98%) 1213. (0.00000) RY (43) S 25 s( 98.98%)p 0.01( 0.72%)d 0.00( 0.18%) f 0.00( 0.06%)g 0.00( 0.06%) 1214. (0.00000) RY (44) S 25 s( 97.24%)p 0.01( 0.76%)d 0.01( 0.86%) f 0.00( 0.48%)g 0.01( 0.65%) 1215. (0.00000) RY (45) S 25 s( 1.22%)p68.44( 83.55%)d 7.27( 8.87%) f 3.07( 3.75%)g 2.14( 2.61%) 1216. (0.00000) RY (46) S 25 s( 35.04%)p 0.32( 11.10%)d 0.93( 32.57%) f 0.21( 7.43%)g 0.40( 13.86%) 1217. (0.00000) RY (47) S 25 s( 8.19%)p 6.72( 55.00%)d 2.39( 19.59%) f 0.37( 3.01%)g 1.74( 14.21%) 1218. (0.00000) RY (48) S 25 s( 5.79%)p 8.86( 51.30%)d 4.87( 28.24%) f 0.48( 2.78%)g 2.05( 11.89%) 1219. (0.00000) RY (49) S 25 s( 16.98%)p 0.41( 6.96%)d 2.99( 50.68%) f 0.46( 7.75%)g 1.04( 17.64%) 1220. (0.00000) RY (50) S 25 s( 0.74%)p63.51( 47.03%)d36.35( 26.91%) f25.11( 18.59%)g 9.08( 6.72%) 1221. (0.00000) RY (51) S 25 s( 10.42%)p 1.14( 11.92%)d 3.13( 32.61%) f 1.64( 17.10%)g 2.68( 27.95%) 1222. (0.00000) RY (52) S 25 s( 32.24%)p 0.46( 14.96%)d 0.59( 18.89%) f 0.75( 24.27%)g 0.30( 9.65%) 1223. (0.00000) RY (53) S 25 s( 2.49%)p 5.96( 14.83%)d12.28( 30.54%) f 7.38( 18.34%)g13.59( 33.80%) 1224. (0.00000) RY (54) S 25 s( 2.46%)p 2.84( 7.00%)d13.93( 34.32%) f 3.33( 8.21%)g19.48( 48.01%) 1225. (0.00000) RY (55) S 25 s( 6.10%)p 1.65( 10.07%)d 3.54( 21.60%) f 3.42( 20.88%)g 6.78( 41.35%) 1226. (0.00000) RY (56) S 25 s( 6.30%)p 1.05( 6.62%)d 2.86( 18.04%) f 3.76( 23.70%)g 7.19( 45.34%) 1227. (0.00000) RY (57) S 25 s( 10.86%)p 0.49( 5.30%)d 3.31( 35.97%) f 2.53( 27.48%)g 1.88( 20.39%) 1228. (0.00000) RY (58) S 25 s( 0.57%)p27.22( 15.43%)d77.76( 44.09%) f20.87( 11.83%)g49.53( 28.08%) 1229. (0.00000) RY (59) S 25 s( 2.46%)p 2.71( 6.67%)d 3.02( 7.42%) f 5.81( 14.29%)g28.10( 69.15%) 1230. (0.00000) RY (60) S 25 s( 5.69%)p 1.68( 9.58%)d 2.05( 11.69%) f 6.86( 39.04%)g 5.98( 34.01%) 1231. (0.00000) RY (61) S 25 s( 3.58%)p 2.79( 10.00%)d 5.61( 20.08%) f10.90( 39.00%)g 7.64( 27.34%) 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 =============================================================================== 35. LP ( 1) C 3 -- -- 83.5 285.2 -- -- -- -- 36. LP ( 1)Mo 21 -- -- 12.2 91.6 -- -- -- -- 37. LP ( 1) S 22 -- -- 176.8 93.8 -- -- -- -- 38. LP ( 2) S 22 -- -- 86.8 260.8 -- -- -- -- 39. LP ( 1) S 23 -- -- 74.9 290.9 -- -- -- -- 40. LP ( 2) S 23 -- -- 132.9 42.5 -- -- -- -- 41. LP ( 1) S 24 -- -- 103.6 74.0 -- -- -- -- 42. LP ( 2) S 24 -- -- 48.1 323.1 -- -- -- -- 43. LP ( 1) S 25 -- -- 9.1 268.0 -- -- -- -- 44. LP ( 2) S 25 -- -- 100.0 282.4 -- -- -- -- 45. BD ( 1) C 1- C 3 12.7 106.6 26.9 96.0 14.6 175.2 28.6 14.4 46. BD ( 1) C 1- C 6 107.0 207.0 116.7 195.0 14.8 83.6 37.5 14.7 47. BD ( 1) C 1- H 11 124.5 9.6 125.5 12.6 2.6 -- -- -- 48. BD ( 1) C 2- C 7 137.7 322.0 125.2 307.3 16.6 32.5 165.4 17.1 49. BD ( 1) C 2- C 10 113.1 159.2 102.1 172.3 16.6 56.6 323.2 17.4 50. BD ( 1) C 2- H 12 18.1 20.4 16.4 13.7 2.6 -- -- -- 51. BD ( 1) C 3- C 4 70.1 199.0 66.5 183.9 14.5 104.5 33.6 14.9 52. BD ( 1) C 3- H 13 56.5 28.1 56.9 31.0 2.4 -- -- -- 53. BD ( 1) C 4- C 5 141.8 216.2 136.7 192.7 16.1 39.7 63.3 17.0 54. BD ( 1) C 4- H 14 20.6 165.4 22.2 161.3 2.1 -- -- -- 55. BD ( 1) C 5- C 6 143.3 2.9 153.5 31.2 17.7 50.3 168.8 16.6 56. BD ( 1) C 5- H 15 89.1 199.9 89.6 198.0 1.9 -- -- -- 57. BD ( 1) C 6- H 16 158.1 232.0 159.1 226.5 2.2 -- -- -- 58. BD ( 1) C 7- C 8 146.4 176.9 143.6 204.9 16.2 37.1 330.6 15.6 59. BD ( 1) C 7- H 17 85.6 338.7 84.8 335.0 3.8 -- -- -- 60. BD ( 1) C 8- C 9 77.1 151.3 81.0 167.3 16.1 105.7 313.9 17.1 61. BD ( 1) C 8- H 18 154.0 307.8 152.6 302.8 2.7 -- -- -- 62. BD ( 1) C 9- C 10 14.3 86.0 13.0 150.6 14.5 154.2 238.0 14.7 63. BD ( 1) C 9- H 19 130.5 162.3 129.9 164.5 1.8 -- -- -- 64. BD ( 1) C 10- H 20 61.0 143.8 60.6 146.0 2.0 -- -- -- 65. BD ( 1)Mo 21- S 22 131.0 342.8 123.5 344.8 7.7 41.0 165.1 8.2 66. BD ( 1)Mo 21- S 25 46.7 8.1 53.8 7.8 7.1 138.8 180.6 7.6 67. BD ( 1) S 22- S 23 60.5 350.9 -- -- -- 118.7 168.9 1.9 68. BD ( 1) S 23- S 24 51.3 92.5 52.0 90.3 1.8 128.7 274.5 1.6 69. BD ( 1) S 24- S 25 59.9 195.8 60.0 197.1 1.2 118.9 15.5 1.2 SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.50 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 35. LP ( 1) C 3 75. BD*( 1) C 1- C 3 7.01 0.60 0.058 35. LP ( 1) C 3 77. BD*( 1) C 1- H 11 0.90 0.54 0.020 35. LP ( 1) C 3 81. BD*( 1) C 3- C 4 6.71 0.58 0.055 35. LP ( 1) C 3 84. BD*( 1) C 4- H 14 1.88 0.52 0.028 35. LP ( 1) C 3 95. BD*( 1)Mo 21- S 22 1.87 0.21 0.018 35. LP ( 1) C 3 100. 3Cn( 1)C1-C6-Mo21 98.42 0.12 0.099 35. LP ( 1) C 3 101. 3Cn( 1)C4-C5-Mo21 33.78 0.16 0.065 35. LP ( 1) C 3 102. 3Cn( 1)C8-C9-Mo21 43.36 0.35 0.111 35. LP ( 1) C 3 103. 3C*( 1)C1-C6-Mo21 0.84 0.76 0.023 35. LP ( 1) C 3 104. 3C*( 1)C2-C7-C10 0.55 0.18 0.009 35. LP ( 1) C 3 105. 3C*( 1)C4-C5-Mo21 29.62 0.15 0.059 35. LP ( 1) C 3 106. 3C*( 1)C8-C9-Mo21 16.09 0.18 0.048 35. LP ( 1) C 3 109. RY ( 3) C 1 1.98 2.52 0.063 35. LP ( 1) C 3 110. RY ( 4) C 1 0.64 2.91 0.038 35. LP ( 1) C 3 111. RY ( 5) C 1 1.34 1.68 0.042 35. LP ( 1) C 3 112. RY ( 6) C 1 1.10 3.32 0.054 35. LP ( 1) C 3 124. RY (18) C 1 0.51 4.49 0.043 35. LP ( 1) C 3 211. RY ( 1) C 3 0.59 1.81 0.029 35. LP ( 1) C 3 215. RY ( 5) C 3 1.42 2.31 0.051 35. LP ( 1) C 3 216. RY ( 6) C 3 3.02 2.77 0.082 35. LP ( 1) C 3 220. RY (10) C 3 1.58 2.83 0.060 35. LP ( 1) C 3 222. RY (12) C 3 2.44 3.07 0.077 35. LP ( 1) C 3 223. RY (13) C 3 0.78 4.75 0.054 35. LP ( 1) C 3 265. RY ( 3) C 4 1.26 2.24 0.047 35. LP ( 1) C 3 267. RY ( 5) C 4 1.73 2.58 0.060 35. LP ( 1) C 3 270. RY ( 8) C 4 1.21 2.72 0.051 35. LP ( 1) C 3 421. RY ( 3) C 7 1.23 3.06 0.055 35. LP ( 1) C 3 685. RY ( 1) H 13 0.54 1.32 0.024 35. LP ( 1) C 3 687. RY ( 3) H 13 0.69 3.25 0.042 35. LP ( 1) C 3 688. RY ( 4) H 13 0.54 3.02 0.036 35. LP ( 1) C 3 691. RY ( 7) H 13 0.62 5.40 0.052 35. LP ( 1) C 3 917. RY ( 1)Mo 21 2.64 3.00 0.079 35. LP ( 1) C 3 920. RY ( 4)Mo 21 0.53 1.50 0.025 35. LP ( 1) C 3 921. RY ( 5)Mo 21 2.74 3.47 0.087 35. LP ( 1) C 3 924. RY ( 8)Mo 21 0.74 2.73 0.040 35. LP ( 1) C 3 925. RY ( 9)Mo 21 2.77 9.30 0.143 35. LP ( 1) C 3 928. RY (12)Mo 21 0.58 2.92 0.037 35. LP ( 1) C 3 932. RY (16)Mo 21 0.72 3.01 0.042 35. LP ( 1) C 3 934. RY (18)Mo 21 1.30 4.10 0.065 35. LP ( 1) C 3 936. RY (20)Mo 21 0.81 3.19 0.045 35. LP ( 1) C 3 993. RY ( 6) S 22 0.61 2.44 0.034 35. LP ( 1) C 3 1176. RY ( 6) S 25 0.79 2.31 0.038 35. LP ( 1) C 3 1181. RY (11) S 25 0.58 2.14 0.031 36. LP ( 1)Mo 21 95. BD*( 1)Mo 21- S 22 0.93 0.25 0.014 36. LP ( 1)Mo 21 96. BD*( 1)Mo 21- S 25 0.93 0.24 0.013 36. LP ( 1)Mo 21 97. BD*( 1) S 22- S 23 3.44 0.25 0.026 36. LP ( 1)Mo 21 99. BD*( 1) S 24- S 25 2.59 0.25 0.023 36. LP ( 1)Mo 21 100. 3Cn( 1)C1-C6-Mo21 7.30 0.17 0.031 36. LP ( 1)Mo 21 101. 3Cn( 1)C4-C5-Mo21 8.76 0.20 0.037 36. LP ( 1)Mo 21 103. 3C*( 1)C1-C6-Mo21 1.44 0.80 0.030 36. LP ( 1)Mo 21 104. 3C*( 1)C2-C7-C10 16.01 0.23 0.054 36. LP ( 1)Mo 21 105. 3C*( 1)C4-C5-Mo21 13.27 0.19 0.045 36. LP ( 1)Mo 21 106. 3C*( 1)C8-C9-Mo21 9.41 0.22 0.041 36. LP ( 1)Mo 21 317. RY ( 3) C 5 0.82 2.33 0.039 36. LP ( 1)Mo 21 577. RY ( 3) C 10 0.53 2.05 0.029 36. LP ( 1)Mo 21 917. RY ( 1)Mo 21 0.73 3.04 0.042 36. LP ( 1)Mo 21 918. RY ( 2)Mo 21 0.52 1.48 0.025 36. LP ( 1)Mo 21 924. RY ( 8)Mo 21 0.81 2.77 0.042 36. LP ( 1)Mo 21 954. RY (38)Mo 21 0.60 4.89 0.048 36. LP ( 1)Mo 21 988. RY ( 1) S 22 1.65 1.14 0.039 36. LP ( 1)Mo 21 1171. RY ( 1) S 25 1.48 1.12 0.036 37. LP ( 1) S 22 101. 3Cn( 1)C4-C5-Mo21 1.72 0.48 0.026 37. LP ( 1) S 22 102. 3Cn( 1)C8-C9-Mo21 3.13 0.68 0.041 37. LP ( 1) S 22 103. 3C*( 1)C1-C6-Mo21 4.44 1.08 0.062 37. LP ( 1) S 22 918. RY ( 2)Mo 21 1.14 1.76 0.040 37. LP ( 1) S 22 920. RY ( 4)Mo 21 0.84 1.82 0.035 37. LP ( 1) S 22 924. RY ( 8)Mo 21 0.65 3.05 0.040 37. LP ( 1) S 22 936. RY (20)Mo 21 0.61 3.52 0.041 38. LP ( 2) S 22 98. BD*( 1) S 23- S 24 3.22 0.28 0.027 38. LP ( 2) S 22 100. 3Cn( 1)C1-C6-Mo21 0.94 0.19 0.012 38. LP ( 2) S 22 101. 3Cn( 1)C4-C5-Mo21 5.42 0.22 0.031 38. LP ( 2) S 22 105. 3C*( 1)C4-C5-Mo21 2.66 0.22 0.022 38. LP ( 2) S 22 1049. RY ( 1) S 23 2.25 0.90 0.040 38. LP ( 2) S 22 1050. RY ( 2) S 23 1.76 0.84 0.034 40. LP ( 2) S 23 95. BD*( 1)Mo 21- S 22 1.99 0.31 0.022 40. LP ( 2) S 23 99. BD*( 1) S 24- S 25 4.46 0.31 0.033 40. LP ( 2) S 23 988. RY ( 1) S 22 1.59 1.19 0.039 40. LP ( 2) S 23 1054. RY ( 6) S 23 0.84 2.27 0.039 40. LP ( 2) S 23 1110. RY ( 1) S 24 3.30 0.93 0.049 42. LP ( 2) S 24 96. BD*( 1)Mo 21- S 25 2.41 0.30 0.024 42. LP ( 2) S 24 97. BD*( 1) S 22- S 23 4.62 0.31 0.034 42. LP ( 2) S 24 1049. RY ( 1) S 23 3.28 0.94 0.049 42. LP ( 2) S 24 1115. RY ( 6) S 24 0.90 2.29 0.041 42. LP ( 2) S 24 1171. RY ( 1) S 25 2.01 1.18 0.043 43. LP ( 1) S 25 100. 3Cn( 1)C1-C6-Mo21 0.52 0.46 0.014 43. LP ( 1) S 25 101. 3Cn( 1)C4-C5-Mo21 0.90 0.49 0.019 43. LP ( 1) S 25 102. 3Cn( 1)C8-C9-Mo21 2.77 0.69 0.039 43. LP ( 1) S 25 103. 3C*( 1)C1-C6-Mo21 5.72 1.09 0.070 43. LP ( 1) S 25 105. 3C*( 1)C4-C5-Mo21 2.29 0.48 0.030 43. LP ( 1) S 25 920. RY ( 4)Mo 21 1.71 1.83 0.050 43. LP ( 1) S 25 924. RY ( 8)Mo 21 0.60 3.06 0.038 43. LP ( 1) S 25 936. RY (20)Mo 21 0.75 3.53 0.046 44. LP ( 2) S 25 96. BD*( 1)Mo 21- S 25 0.63 0.27 0.012 44. LP ( 2) S 25 98. BD*( 1) S 23- S 24 4.12 0.28 0.031 44. LP ( 2) S 25 101. 3Cn( 1)C4-C5-Mo21 0.59 0.23 0.010 44. LP ( 2) S 25 102. 3Cn( 1)C8-C9-Mo21 1.41 0.43 0.022 44. LP ( 2) S 25 103. 3C*( 1)C1-C6-Mo21 1.12 0.83 0.027 44. LP ( 2) S 25 105. 3C*( 1)C4-C5-Mo21 3.09 0.22 0.023 44. LP ( 2) S 25 106. 3C*( 1)C8-C9-Mo21 0.80 0.25 0.013 44. LP ( 2) S 25 918. RY ( 2)Mo 21 0.60 1.51 0.027 44. LP ( 2) S 25 1110. RY ( 1) S 24 2.57 0.90 0.043 44. LP ( 2) S 25 1111. RY ( 2) S 24 1.62 0.86 0.033 45. BD ( 1) C 1- C 3 84. BD*( 1) C 4- H 14 2.42 0.96 0.043 45. BD ( 1) C 1- C 3 87. BD*( 1) C 6- H 16 2.28 0.97 0.042 45. BD ( 1) C 1- C 3 95. BD*( 1)Mo 21- S 22 1.41 0.65 0.027 45. BD ( 1) C 1- C 3 96. BD*( 1)Mo 21- S 25 1.32 0.65 0.026 45. BD ( 1) C 1- C 3 100. 3Cn( 1)C1-C6-Mo21 3.61 0.57 0.040 45. BD ( 1) C 1- C 3 102. 3Cn( 1)C8-C9-Mo21 2.80 0.80 0.042 45. BD ( 1) C 1- C 3 103. 3C*( 1)C1-C6-Mo21 0.77 1.20 0.027 45. BD ( 1) C 1- C 3 106. 3C*( 1)C8-C9-Mo21 0.78 0.62 0.020 45. BD ( 1) C 1- C 3 264. RY ( 2) C 4 3.02 2.09 0.071 45. BD ( 1) C 1- C 3 368. RY ( 2) C 6 2.77 2.21 0.070 45. BD ( 1) C 1- C 3 628. RY ( 2) H 11 0.98 3.38 0.051 45. BD ( 1) C 1- C 3 686. RY ( 2) H 13 1.04 3.36 0.053 46. BD ( 1) C 1- C 6 82. BD*( 1) C 3- H 13 2.39 0.97 0.043 46. BD ( 1) C 1- C 6 86. BD*( 1) C 5- H 15 2.53 0.94 0.044 46. BD ( 1) C 1- C 6 95. BD*( 1)Mo 21- S 22 1.41 0.64 0.027 46. BD ( 1) C 1- C 6 96. BD*( 1)Mo 21- S 25 0.59 0.63 0.017 46. BD ( 1) C 1- C 6 103. 3C*( 1)C1-C6-Mo21 2.08 1.19 0.044 46. BD ( 1) C 1- C 6 211. RY ( 1) C 3 0.90 2.24 0.040 46. BD ( 1) C 1- C 6 212. RY ( 2) C 3 1.53 2.06 0.050 46. BD ( 1) C 1- C 6 315. RY ( 1) C 5 0.61 2.34 0.034 46. BD ( 1) C 1- C 6 316. RY ( 2) C 5 2.18 2.14 0.061 46. BD ( 1) C 1- C 6 629. RY ( 3) H 11 0.87 3.35 0.048 46. BD ( 1) C 1- C 6 772. RY ( 1) H 16 0.69 3.45 0.044 47. BD ( 1) C 1- H 11 81. BD*( 1) C 3- C 4 2.14 0.93 0.040 47. BD ( 1) C 1- H 11 85. BD*( 1) C 5- C 6 1.67 0.91 0.035 47. BD ( 1) C 1- H 11 100. 3Cn( 1)C1-C6-Mo21 0.80 0.48 0.018 47. BD ( 1) C 1- H 11 103. 3C*( 1)C1-C6-Mo21 0.58 1.11 0.023 47. BD ( 1) C 1- H 11 211. RY ( 1) C 3 1.41 2.17 0.049 47. BD ( 1) C 1- H 11 367. RY ( 1) C 6 1.36 2.17 0.049 47. BD ( 1) C 1- H 11 372. RY ( 6) C 6 0.57 4.19 0.044 48. BD ( 1) C 2- C 7 91. BD*( 1) C 8- H 18 2.13 0.96 0.040 48. BD ( 1) C 2- C 7 92. BD*( 1) C 9- C 10 0.51 0.98 0.020 48. BD ( 1) C 2- C 7 94. BD*( 1) C 10- H 20 2.84 0.93 0.046 48. BD ( 1) C 2- C 7 95. BD*( 1)Mo 21- S 22 1.75 0.63 0.030 48. BD ( 1) C 2- C 7 96. BD*( 1)Mo 21- S 25 1.65 0.62 0.029 48. BD ( 1) C 2- C 7 103. 3C*( 1)C1-C6-Mo21 7.45 1.18 0.084 48. BD ( 1) C 2- C 7 472. RY ( 2) C 8 2.24 2.29 0.064 48. BD ( 1) C 2- C 7 575. RY ( 1) C 10 0.82 2.21 0.038 48. BD ( 1) C 2- C 7 576. RY ( 2) C 10 1.82 2.12 0.055 48. BD ( 1) C 2- C 7 595. RY (21) C 10 0.52 5.81 0.049 48. BD ( 1) C 2- C 7 657. RY ( 2) H 12 0.80 3.42 0.047 48. BD ( 1) C 2- C 7 803. RY ( 3) H 17 0.79 3.49 0.047 49. BD ( 1) C 2- C 10 89. BD*( 1) C 7- H 17 2.21 0.98 0.042 49. BD ( 1) C 2- C 10 93. BD*( 1) C 9- H 19 2.43 0.95 0.043 49. BD ( 1) C 2- C 10 96. BD*( 1)Mo 21- S 25 0.92 0.64 0.022 49. BD ( 1) C 2- C 10 101. 3Cn( 1)C4-C5-Mo21 1.76 0.60 0.029 49. BD ( 1) C 2- C 10 102. 3Cn( 1)C8-C9-Mo21 0.66 0.80 0.020 49. BD ( 1) C 2- C 10 103. 3C*( 1)C1-C6-Mo21 4.88 1.20 0.068 49. BD ( 1) C 2- C 10 105. 3C*( 1)C4-C5-Mo21 1.40 0.59 0.026 49. BD ( 1) C 2- C 10 419. RY ( 1) C 7 1.14 2.21 0.045 49. BD ( 1) C 2- C 10 420. RY ( 2) C 7 1.19 2.04 0.044 49. BD ( 1) C 2- C 10 523. RY ( 1) C 9 0.61 2.17 0.032 49. BD ( 1) C 2- C 10 524. RY ( 2) C 9 2.33 2.18 0.064 49. BD ( 1) C 2- C 10 656. RY ( 1) H 12 0.64 2.58 0.036 49. BD ( 1) C 2- C 10 888. RY ( 1) H 20 0.63 3.48 0.042 49. BD ( 1) C 2- C 10 919. RY ( 3)Mo 21 0.54 2.36 0.032 50. BD ( 1) C 2- H 12 88. BD*( 1) C 7- C 8 1.66 0.92 0.035 50. BD ( 1) C 2- H 12 92. BD*( 1) C 9- C 10 1.99 0.92 0.038 50. BD ( 1) C 2- H 12 103. 3C*( 1)C1-C6-Mo21 1.89 1.12 0.041 50. BD ( 1) C 2- H 12 104. 3C*( 1)C2-C7-C10 0.90 0.55 0.020 50. BD ( 1) C 2- H 12 419. RY ( 1) C 7 0.74 2.13 0.036 50. BD ( 1) C 2- H 12 425. RY ( 7) C 7 0.57 5.42 0.049 50. BD ( 1) C 2- H 12 575. RY ( 1) C 10 1.21 2.16 0.046 50. BD ( 1) C 2- H 12 581. RY ( 7) C 10 0.72 5.16 0.054 51. BD ( 1) C 3- C 4 77. BD*( 1) C 1- H 11 2.40 0.98 0.043 51. BD ( 1) C 3- C 4 86. BD*( 1) C 5- H 15 2.46 0.94 0.043 51. BD ( 1) C 3- C 4 96. BD*( 1)Mo 21- S 25 1.19 0.64 0.025 51. BD ( 1) C 3- C 4 102. 3Cn( 1)C8-C9-Mo21 4.34 0.79 0.052 51. BD ( 1) C 3- C 4 105. 3C*( 1)C4-C5-Mo21 5.43 0.59 0.050 51. BD ( 1) C 3- C 4 106. 3C*( 1)C8-C9-Mo21 1.82 0.61 0.030 51. BD ( 1) C 3- C 4 107. RY ( 1) C 1 0.57 2.40 0.033 51. BD ( 1) C 3- C 4 108. RY ( 2) C 1 2.37 2.03 0.062 51. BD ( 1) C 3- C 4 315. RY ( 1) C 5 0.94 2.34 0.042 51. BD ( 1) C 3- C 4 316. RY ( 2) C 5 1.77 2.14 0.055 51. BD ( 1) C 3- C 4 687. RY ( 3) H 13 0.92 3.68 0.052 51. BD ( 1) C 3- C 4 714. RY ( 1) H 14 0.64 3.43 0.042 52. BD ( 1) C 3- H 13 76. BD*( 1) C 1- C 6 2.13 0.93 0.040 52. BD ( 1) C 3- H 13 83. BD*( 1) C 4- C 5 1.71 0.92 0.035 52. BD ( 1) C 3- H 13 102. 3Cn( 1)C8-C9-Mo21 1.84 0.71 0.032 52. BD ( 1) C 3- H 13 107. RY ( 1) C 1 1.40 2.33 0.051 52. BD ( 1) C 3- H 13 112. RY ( 6) C 1 0.73 3.68 0.046 52. BD ( 1) C 3- H 13 263. RY ( 1) C 4 1.35 2.15 0.048 53. BD ( 1) C 4- C 5 76. BD*( 1) C 1- C 6 0.52 1.00 0.020 53. BD ( 1) C 4- C 5 82. BD*( 1) C 3- H 13 2.54 0.97 0.044 53. BD ( 1) C 4- C 5 87. BD*( 1) C 6- H 16 2.13 0.95 0.040 53. BD ( 1) C 4- C 5 95. BD*( 1)Mo 21- S 22 2.49 0.64 0.035 53. BD ( 1) C 4- C 5 101. 3Cn( 1)C4-C5-Mo21 1.08 0.58 0.022 53. BD ( 1) C 4- C 5 103. 3C*( 1)C1-C6-Mo21 0.53 1.19 0.022 53. BD ( 1) C 4- C 5 105. 3C*( 1)C4-C5-Mo21 0.58 0.58 0.016 53. BD ( 1) C 4- C 5 212. RY ( 2) C 3 2.48 2.05 0.064 53. BD ( 1) C 4- C 5 367. RY ( 1) C 6 2.19 2.25 0.063 53. BD ( 1) C 4- C 5 368. RY ( 2) C 6 0.55 2.19 0.031 53. BD ( 1) C 4- C 5 714. RY ( 1) H 14 0.57 3.42 0.039 53. BD ( 1) C 4- C 5 743. RY ( 1) H 15 0.74 3.55 0.046 53. BD ( 1) C 4- C 5 918. RY ( 2)Mo 21 1.47 1.87 0.047 54. BD ( 1) C 4- H 14 75. BD*( 1) C 1- C 3 1.62 0.96 0.035 54. BD ( 1) C 4- H 14 85. BD*( 1) C 5- C 6 1.74 0.92 0.036 54. BD ( 1) C 4- H 14 95. BD*( 1)Mo 21- S 22 2.23 0.58 0.032 54. BD ( 1) C 4- H 14 102. 3Cn( 1)C8-C9-Mo21 0.76 0.72 0.021 54. BD ( 1) C 4- H 14 105. 3C*( 1)C4-C5-Mo21 1.22 0.52 0.022 54. BD ( 1) C 4- H 14 211. RY ( 1) C 3 1.35 2.18 0.048 54. BD ( 1) C 4- H 14 217. RY ( 7) C 3 0.73 5.06 0.054 54. BD ( 1) C 4- H 14 315. RY ( 1) C 5 1.22 2.28 0.047 54. BD ( 1) C 4- H 14 320. RY ( 6) C 5 0.66 5.33 0.053 55. BD ( 1) C 5- C 6 77. BD*( 1) C 1- H 11 2.49 0.97 0.044 55. BD ( 1) C 5- C 6 84. BD*( 1) C 4- H 14 2.12 0.95 0.040 55. BD ( 1) C 5- C 6 96. BD*( 1)Mo 21- S 25 1.29 0.63 0.025 55. BD ( 1) C 5- C 6 100. 3Cn( 1)C1-C6-Mo21 4.60 0.55 0.045 55. BD ( 1) C 5- C 6 101. 3Cn( 1)C4-C5-Mo21 7.16 0.58 0.058 55. BD ( 1) C 5- C 6 102. 3Cn( 1)C8-C9-Mo21 0.83 0.78 0.023 55. BD ( 1) C 5- C 6 103. 3C*( 1)C1-C6-Mo21 1.43 1.19 0.037 55. BD ( 1) C 5- C 6 107. RY ( 1) C 1 0.81 2.40 0.039 55. BD ( 1) C 5- C 6 108. RY ( 2) C 1 1.91 2.02 0.055 55. BD ( 1) C 5- C 6 263. RY ( 1) C 4 1.49 2.22 0.051 55. BD ( 1) C 5- C 6 264. RY ( 2) C 4 1.30 2.07 0.046 55. BD ( 1) C 5- C 6 743. RY ( 1) H 15 0.64 3.55 0.042 55. BD ( 1) C 5- C 6 744. RY ( 2) H 15 0.54 3.58 0.039 55. BD ( 1) C 5- C 6 772. RY ( 1) H 16 0.58 3.44 0.040 55. BD ( 1) C 5- C 6 918. RY ( 2)Mo 21 1.36 1.87 0.045 56. BD ( 1) C 5- H 15 76. BD*( 1) C 1- C 6 1.53 0.95 0.034 56. BD ( 1) C 5- H 15 81. BD*( 1) C 3- C 4 1.56 0.95 0.034 56. BD ( 1) C 5- H 15 95. BD*( 1)Mo 21- S 22 1.64 0.59 0.028 56. BD ( 1) C 5- H 15 96. BD*( 1)Mo 21- S 25 1.91 0.58 0.030 56. BD ( 1) C 5- H 15 101. 3Cn( 1)C4-C5-Mo21 1.03 0.53 0.021 56. BD ( 1) C 5- H 15 263. RY ( 1) C 4 1.05 2.17 0.043 56. BD ( 1) C 5- H 15 269. RY ( 7) C 4 0.60 5.16 0.050 56. BD ( 1) C 5- H 15 367. RY ( 1) C 6 0.82 2.20 0.038 56. BD ( 1) C 5- H 15 368. RY ( 2) C 6 0.66 2.14 0.034 56. BD ( 1) C 5- H 15 373. RY ( 7) C 6 0.61 5.08 0.050 57. BD ( 1) C 6- H 16 75. BD*( 1) C 1- C 3 1.60 0.96 0.035 57. BD ( 1) C 6- H 16 83. BD*( 1) C 4- C 5 1.75 0.92 0.036 57. BD ( 1) C 6- H 16 96. BD*( 1)Mo 21- S 25 1.49 0.57 0.026 57. BD ( 1) C 6- H 16 100. 3Cn( 1)C1-C6-Mo21 1.21 0.49 0.022 57. BD ( 1) C 6- H 16 103. 3C*( 1)C1-C6-Mo21 0.77 1.12 0.026 57. BD ( 1) C 6- H 16 107. RY ( 1) C 1 1.37 2.34 0.050 57. BD ( 1) C 6- H 16 113. RY ( 7) C 1 0.82 4.78 0.056 57. BD ( 1) C 6- H 16 315. RY ( 1) C 5 1.29 2.28 0.048 57. BD ( 1) C 6- H 16 320. RY ( 6) C 5 0.60 5.33 0.050 58. BD ( 1) C 7- C 8 80. BD*( 1) C 2- H 12 2.26 0.95 0.041 58. BD ( 1) C 7- C 8 92. BD*( 1) C 9- C 10 0.52 0.98 0.020 58. BD ( 1) C 7- C 8 93. BD*( 1) C 9- H 19 2.96 0.93 0.047 58. BD ( 1) C 7- C 8 95. BD*( 1)Mo 21- S 22 1.48 0.63 0.027 58. BD ( 1) C 7- C 8 96. BD*( 1)Mo 21- S 25 1.43 0.62 0.027 58. BD ( 1) C 7- C 8 101. 3Cn( 1)C4-C5-Mo21 2.18 0.58 0.032 58. BD ( 1) C 7- C 8 102. 3Cn( 1)C8-C9-Mo21 5.31 0.78 0.057 58. BD ( 1) C 7- C 8 103. 3C*( 1)C1-C6-Mo21 0.96 1.18 0.030 58. BD ( 1) C 7- C 8 104. 3C*( 1)C2-C7-C10 2.49 0.61 0.035 58. BD ( 1) C 7- C 8 105. 3C*( 1)C4-C5-Mo21 0.99 0.57 0.021 58. BD ( 1) C 7- C 8 106. 3C*( 1)C8-C9-Mo21 0.75 0.60 0.019 58. BD ( 1) C 7- C 8 160. RY ( 2) C 2 2.31 2.19 0.063 58. BD ( 1) C 7- C 8 523. RY ( 1) C 9 0.67 2.15 0.034 58. BD ( 1) C 7- C 8 524. RY ( 2) C 9 1.70 2.16 0.054 58. BD ( 1) C 7- C 8 802. RY ( 2) H 17 0.59 3.41 0.040 58. BD ( 1) C 7- C 8 803. RY ( 3) H 17 0.52 3.49 0.038 58. BD ( 1) C 7- C 8 831. RY ( 2) H 18 0.81 3.44 0.047 59. BD ( 1) C 7- H 17 79. BD*( 1) C 2- C 10 1.69 0.93 0.035 59. BD ( 1) C 7- H 17 90. BD*( 1) C 8- C 9 1.66 0.94 0.035 59. BD ( 1) C 7- H 17 101. 3Cn( 1)C4-C5-Mo21 2.02 0.51 0.029 59. BD ( 1) C 7- H 17 103. 3C*( 1)C1-C6-Mo21 0.76 1.11 0.026 59. BD ( 1) C 7- H 17 104. 3C*( 1)C2-C7-C10 0.61 0.54 0.016 59. BD ( 1) C 7- H 17 105. 3C*( 1)C4-C5-Mo21 2.25 0.50 0.030 59. BD ( 1) C 7- H 17 159. RY ( 1) C 2 1.24 2.20 0.047 59. BD ( 1) C 7- H 17 165. RY ( 7) C 2 0.62 5.25 0.051 59. BD ( 1) C 7- H 17 471. RY ( 1) C 8 1.22 2.18 0.046 59. BD ( 1) C 7- H 17 477. RY ( 7) C 8 0.54 4.42 0.043 60. BD ( 1) C 8- C 9 89. BD*( 1) C 7- H 17 2.17 0.98 0.041 60. BD ( 1) C 8- C 9 94. BD*( 1) C 10- H 20 2.43 0.95 0.043 60. BD ( 1) C 8- C 9 95. BD*( 1)Mo 21- S 22 0.76 0.66 0.020 60. BD ( 1) C 8- C 9 96. BD*( 1)Mo 21- S 25 0.62 0.65 0.018 60. BD ( 1) C 8- C 9 102. 3Cn( 1)C8-C9-Mo21 1.62 0.80 0.032 60. BD ( 1) C 8- C 9 420. RY ( 2) C 7 2.70 2.05 0.066 60. BD ( 1) C 8- C 9 576. RY ( 2) C 10 2.46 2.14 0.065 60. BD ( 1) C 8- C 9 830. RY ( 1) H 18 0.75 2.86 0.041 60. BD ( 1) C 8- C 9 859. RY ( 1) H 19 0.62 3.51 0.042 61. BD ( 1) C 8- H 18 78. BD*( 1) C 2- C 7 1.61 0.92 0.034 61. BD ( 1) C 8- H 18 92. BD*( 1) C 9- C 10 2.09 0.92 0.039 61. BD ( 1) C 8- H 18 101. 3Cn( 1)C4-C5-Mo21 0.88 0.52 0.019 61. BD ( 1) C 8- H 18 102. 3Cn( 1)C8-C9-Mo21 1.23 0.72 0.027 61. BD ( 1) C 8- H 18 419. RY ( 1) C 7 0.92 2.13 0.040 61. BD ( 1) C 8- H 18 425. RY ( 7) C 7 0.63 5.41 0.052 61. BD ( 1) C 8- H 18 523. RY ( 1) C 9 1.15 2.09 0.044 61. BD ( 1) C 8- H 18 529. RY ( 7) C 9 0.76 5.16 0.056 62. BD ( 1) C 9- C 10 80. BD*( 1) C 2- H 12 2.38 0.98 0.043 62. BD ( 1) C 9- C 10 88. BD*( 1) C 7- C 8 0.51 1.00 0.020 62. BD ( 1) C 9- C 10 91. BD*( 1) C 8- H 18 2.44 0.98 0.044 62. BD ( 1) C 9- C 10 95. BD*( 1)Mo 21- S 22 0.57 0.65 0.017 62. BD ( 1) C 9- C 10 96. BD*( 1)Mo 21- S 25 0.77 0.64 0.020 62. BD ( 1) C 9- C 10 101. 3Cn( 1)C4-C5-Mo21 1.37 0.60 0.026 62. BD ( 1) C 9- C 10 102. 3Cn( 1)C8-C9-Mo21 0.53 0.80 0.018 62. BD ( 1) C 9- C 10 103. 3C*( 1)C1-C6-Mo21 1.34 1.20 0.036 62. BD ( 1) C 9- C 10 104. 3C*( 1)C2-C7-C10 1.74 0.63 0.030 62. BD ( 1) C 9- C 10 105. 3C*( 1)C4-C5-Mo21 1.99 0.59 0.031 62. BD ( 1) C 9- C 10 106. 3C*( 1)C8-C9-Mo21 4.11 0.62 0.045 62. BD ( 1) C 9- C 10 159. RY ( 1) C 2 2.35 2.30 0.066 62. BD ( 1) C 9- C 10 160. RY ( 2) C 2 0.76 2.21 0.036 62. BD ( 1) C 9- C 10 471. RY ( 1) C 8 2.41 2.27 0.066 62. BD ( 1) C 9- C 10 472. RY ( 2) C 8 0.81 2.31 0.039 62. BD ( 1) C 9- C 10 859. RY ( 1) H 19 0.79 3.51 0.047 62. BD ( 1) C 9- C 10 888. RY ( 1) H 20 0.75 3.48 0.045 63. BD ( 1) C 9- H 19 79. BD*( 1) C 2- C 10 1.71 0.96 0.036 63. BD ( 1) C 9- H 19 88. BD*( 1) C 7- C 8 1.86 0.94 0.037 63. BD ( 1) C 9- H 19 96. BD*( 1)Mo 21- S 25 2.92 0.58 0.037 63. BD ( 1) C 9- H 19 106. 3C*( 1)C8-C9-Mo21 0.75 0.56 0.018 63. BD ( 1) C 9- H 19 471. RY ( 1) C 8 0.85 2.21 0.039 63. BD ( 1) C 9- H 19 472. RY ( 2) C 8 0.91 2.25 0.040 63. BD ( 1) C 9- H 19 476. RY ( 6) C 8 0.56 4.57 0.045 63. BD ( 1) C 9- H 19 575. RY ( 1) C 10 1.43 2.17 0.050 64. BD ( 1) C 10- H 20 78. BD*( 1) C 2- C 7 1.76 0.94 0.036 64. BD ( 1) C 10- H 20 90. BD*( 1) C 8- C 9 1.72 0.97 0.037 64. BD ( 1) C 10- H 20 95. BD*( 1)Mo 21- S 22 3.12 0.59 0.038 64. BD ( 1) C 10- H 20 103. 3C*( 1)C1-C6-Mo21 0.66 1.14 0.024 64. BD ( 1) C 10- H 20 159. RY ( 1) C 2 0.87 2.23 0.039 64. BD ( 1) C 10- H 20 160. RY ( 2) C 2 0.84 2.14 0.038 64. BD ( 1) C 10- H 20 165. RY ( 7) C 2 0.62 5.28 0.051 64. BD ( 1) C 10- H 20 523. RY ( 1) C 9 1.38 2.11 0.048 65. BD ( 1)Mo 21- S 22 95. BD*( 1)Mo 21- S 22 2.15 0.42 0.027 65. BD ( 1)Mo 21- S 22 96. BD*( 1)Mo 21- S 25 6.93 0.42 0.048 65. BD ( 1)Mo 21- S 22 101. 3Cn( 1)C4-C5-Mo21 2.22 0.37 0.026 65. BD ( 1)Mo 21- S 22 102. 3Cn( 1)C8-C9-Mo21 3.65 0.57 0.041 65. BD ( 1)Mo 21- S 22 103. 3C*( 1)C1-C6-Mo21 4.88 0.97 0.061 65. BD ( 1)Mo 21- S 22 104. 3C*( 1)C2-C7-C10 1.00 0.40 0.018 65. BD ( 1)Mo 21- S 22 105. 3C*( 1)C4-C5-Mo21 3.00 0.37 0.030 65. BD ( 1)Mo 21- S 22 106. 3C*( 1)C8-C9-Mo21 1.51 0.39 0.022 65. BD ( 1)Mo 21- S 22 107. RY ( 1) C 1 0.67 2.18 0.034 65. BD ( 1)Mo 21- S 22 109. RY ( 3) C 1 2.16 2.73 0.069 65. BD ( 1)Mo 21- S 22 115. RY ( 9) C 1 0.53 2.05 0.029 65. BD ( 1)Mo 21- S 22 161. RY ( 3) C 2 1.65 2.51 0.057 65. BD ( 1)Mo 21- S 22 213. RY ( 3) C 3 3.64 2.56 0.086 65. BD ( 1)Mo 21- S 22 270. RY ( 8) C 4 0.67 2.94 0.040 65. BD ( 1)Mo 21- S 22 369. RY ( 3) C 6 2.48 2.40 0.069 65. BD ( 1)Mo 21- S 22 421. RY ( 3) C 7 2.89 3.27 0.087 65. BD ( 1)Mo 21- S 22 422. RY ( 4) C 7 0.77 2.85 0.042 65. BD ( 1)Mo 21- S 22 427. RY ( 9) C 7 1.00 2.97 0.049 65. BD ( 1)Mo 21- S 22 473. RY ( 3) C 8 1.54 2.30 0.053 65. BD ( 1)Mo 21- S 22 525. RY ( 3) C 9 0.68 2.34 0.036 65. BD ( 1)Mo 21- S 22 917. RY ( 1)Mo 21 2.52 3.21 0.080 65. BD ( 1)Mo 21- S 22 920. RY ( 4)Mo 21 2.09 1.72 0.054 65. BD ( 1)Mo 21- S 22 921. RY ( 5)Mo 21 5.78 3.69 0.130 65. BD ( 1)Mo 21- S 22 924. RY ( 8)Mo 21 3.07 2.94 0.085 65. BD ( 1)Mo 21- S 22 925. RY ( 9)Mo 21 4.16 9.51 0.177 65. BD ( 1)Mo 21- S 22 929. RY (13)Mo 21 0.90 3.37 0.049 65. BD ( 1)Mo 21- S 22 932. RY (16)Mo 21 1.28 3.23 0.057 65. BD ( 1)Mo 21- S 22 934. RY (18)Mo 21 2.73 4.32 0.097 65. BD ( 1)Mo 21- S 22 936. RY (20)Mo 21 2.12 3.41 0.076 65. BD ( 1)Mo 21- S 22 952. RY (36)Mo 21 1.34 4.56 0.070 65. BD ( 1)Mo 21- S 22 954. RY (38)Mo 21 0.78 5.06 0.056 65. BD ( 1)Mo 21- S 22 966. RY (50)Mo 21 0.90 10.49 0.087 65. BD ( 1)Mo 21- S 22 968. RY (52)Mo 21 0.68 5.43 0.054 65. BD ( 1)Mo 21- S 22 993. RY ( 6) S 22 1.38 2.65 0.054 65. BD ( 1)Mo 21- S 22 994. RY ( 7) S 22 0.60 2.87 0.037 65. BD ( 1)Mo 21- S 22 1051. RY ( 3) S 23 0.74 0.93 0.023 65. BD ( 1)Mo 21- S 22 1172. RY ( 2) S 25 0.82 1.59 0.032 65. BD ( 1)Mo 21- S 22 1176. RY ( 6) S 25 2.05 2.53 0.064 65. BD ( 1)Mo 21- S 22 1177. RY ( 7) S 25 1.28 2.35 0.049 65. BD ( 1)Mo 21- S 22 1178. RY ( 8) S 25 1.66 2.55 0.058 65. BD ( 1)Mo 21- S 22 1179. RY ( 9) S 25 0.92 2.19 0.040 65. BD ( 1)Mo 21- S 22 1181. RY (11) S 25 1.18 2.35 0.047 66. BD ( 1)Mo 21- S 25 95. BD*( 1)Mo 21- S 22 6.53 0.42 0.047 66. BD ( 1)Mo 21- S 25 96. BD*( 1)Mo 21- S 25 2.52 0.41 0.029 66. BD ( 1)Mo 21- S 25 100. 3Cn( 1)C1-C6-Mo21 0.99 0.34 0.016 66. BD ( 1)Mo 21- S 25 102. 3Cn( 1)C8-C9-Mo21 6.33 0.57 0.054 66. BD ( 1)Mo 21- S 25 103. 3C*( 1)C1-C6-Mo21 4.55 0.97 0.059 66. BD ( 1)Mo 21- S 25 105. 3C*( 1)C4-C5-Mo21 3.80 0.36 0.033 66. BD ( 1)Mo 21- S 25 109. RY ( 3) C 1 3.88 2.73 0.092 66. BD ( 1)Mo 21- S 25 161. RY ( 3) C 2 1.68 2.51 0.058 66. BD ( 1)Mo 21- S 25 211. RY ( 1) C 3 0.54 2.03 0.030 66. BD ( 1)Mo 21- S 25 213. RY ( 3) C 3 1.52 2.56 0.056 66. BD ( 1)Mo 21- S 25 220. RY (10) C 3 0.75 3.04 0.043 66. BD ( 1)Mo 21- S 25 265. RY ( 3) C 4 2.31 2.45 0.067 66. BD ( 1)Mo 21- S 25 270. RY ( 8) C 4 0.65 2.94 0.039 66. BD ( 1)Mo 21- S 25 421. RY ( 3) C 7 3.60 3.27 0.097 66. BD ( 1)Mo 21- S 25 427. RY ( 9) C 7 0.82 2.97 0.044 66. BD ( 1)Mo 21- S 25 473. RY ( 3) C 8 1.24 2.29 0.048 66. BD ( 1)Mo 21- S 25 577. RY ( 3) C 10 0.94 2.22 0.041 66. BD ( 1)Mo 21- S 25 917. RY ( 1)Mo 21 2.56 3.21 0.081 66. BD ( 1)Mo 21- S 25 918. RY ( 2)Mo 21 1.57 1.66 0.046 66. BD ( 1)Mo 21- S 25 921. RY ( 5)Mo 21 5.96 3.69 0.132 66. BD ( 1)Mo 21- S 25 924. RY ( 8)Mo 21 3.00 2.94 0.084 66. BD ( 1)Mo 21- S 25 925. RY ( 9)Mo 21 4.25 9.51 0.179 66. BD ( 1)Mo 21- S 25 926. RY (10)Mo 21 0.54 2.97 0.036 66. BD ( 1)Mo 21- S 25 929. RY (13)Mo 21 0.84 3.37 0.048 66. BD ( 1)Mo 21- S 25 932. RY (16)Mo 21 1.19 3.23 0.055 66. BD ( 1)Mo 21- S 25 934. RY (18)Mo 21 3.18 4.32 0.105 66. BD ( 1)Mo 21- S 25 936. RY (20)Mo 21 1.65 3.41 0.067 66. BD ( 1)Mo 21- S 25 952. RY (36)Mo 21 0.97 4.56 0.059 66. BD ( 1)Mo 21- S 25 954. RY (38)Mo 21 0.93 5.06 0.061 66. BD ( 1)Mo 21- S 25 966. RY (50)Mo 21 0.90 10.49 0.087 66. BD ( 1)Mo 21- S 25 968. RY (52)Mo 21 0.72 5.43 0.056 66. BD ( 1)Mo 21- S 25 989. RY ( 2) S 22 0.74 1.57 0.030 66. BD ( 1)Mo 21- S 25 993. RY ( 6) S 22 2.45 2.65 0.072 66. BD ( 1)Mo 21- S 25 994. RY ( 7) S 22 2.82 2.87 0.080 66. BD ( 1)Mo 21- S 25 998. RY (11) S 22 0.82 2.03 0.036 66. BD ( 1)Mo 21- S 25 1112. RY ( 3) S 24 0.91 0.89 0.025 66. BD ( 1)Mo 21- S 25 1176. RY ( 6) S 25 1.32 2.53 0.052 66. BD ( 1)Mo 21- S 25 1177. RY ( 7) S 25 0.71 2.35 0.036 66. BD ( 1)Mo 21- S 25 1181. RY (11) S 25 0.72 2.35 0.037 67. BD ( 1) S 22- S 23 920. RY ( 4)Mo 21 0.81 1.83 0.034 67. BD ( 1) S 22- S 23 923. RY ( 7)Mo 21 0.93 2.27 0.041 67. BD ( 1) S 22- S 23 926. RY (10)Mo 21 0.55 3.09 0.037 67. BD ( 1) S 22- S 23 1112. RY ( 3) S 24 0.55 1.01 0.021 67. BD ( 1) S 22- S 23 1113. RY ( 4) S 24 0.51 1.14 0.021 68. BD ( 1) S 23- S 24 97. BD*( 1) S 22- S 23 0.68 0.57 0.018 68. BD ( 1) S 23- S 24 99. BD*( 1) S 24- S 25 0.59 0.57 0.017 68. BD ( 1) S 23- S 24 989. RY ( 2) S 22 0.97 1.71 0.036 68. BD ( 1) S 23- S 24 990. RY ( 3) S 22 1.03 1.68 0.037 68. BD ( 1) S 23- S 24 992. RY ( 5) S 22 0.87 2.15 0.039 68. BD ( 1) S 23- S 24 1172. RY ( 2) S 25 1.42 1.74 0.044 68. BD ( 1) S 23- S 24 1173. RY ( 3) S 25 0.80 1.58 0.032 68. BD ( 1) S 23- S 24 1175. RY ( 5) S 25 0.72 2.21 0.036 69. BD ( 1) S 24- S 25 102. 3Cn( 1)C8-C9-Mo21 0.55 0.70 0.017 69. BD ( 1) S 24- S 25 917. RY ( 1)Mo 21 0.77 3.34 0.045 69. BD ( 1) S 24- S 25 922. RY ( 6)Mo 21 0.54 3.13 0.037 69. BD ( 1) S 24- S 25 1052. RY ( 4) S 23 0.52 1.15 0.022 70. 3C ( 1)C1-C6-Mo21 75. BD*( 1) C 1- C 3 2.75 0.74 0.040 70. 3C ( 1)C1-C6-Mo21 77. BD*( 1) C 1- H 11 1.16 0.68 0.025 70. 3C ( 1)C1-C6-Mo21 82. BD*( 1) C 3- H 13 0.62 0.68 0.018 70. 3C ( 1)C1-C6-Mo21 85. BD*( 1) C 5- C 6 3.96 0.69 0.047 70. 3C ( 1)C1-C6-Mo21 86. BD*( 1) C 5- H 15 1.19 0.64 0.025 70. 3C ( 1)C1-C6-Mo21 87. BD*( 1) C 6- H 16 1.17 0.66 0.025 70. 3C ( 1)C1-C6-Mo21 95. BD*( 1)Mo 21- S 22 96.70 0.35 0.164 70. 3C ( 1)C1-C6-Mo21 96. BD*( 1)Mo 21- S 25 44.79 0.34 0.110 70. 3C ( 1)C1-C6-Mo21 97. BD*( 1) S 22- S 23 0.92 0.35 0.016 70. 3C ( 1)C1-C6-Mo21 101. 3Cn( 1)C4-C5-Mo21 8.86 0.30 0.046 70. 3C ( 1)C1-C6-Mo21 102. 3Cn( 1)C8-C9-Mo21 78.36 0.49 0.176 70. 3C ( 1)C1-C6-Mo21 103. 3C*( 1)C1-C6-Mo21 50.98 0.90 0.191 70. 3C ( 1)C1-C6-Mo21 104. 3C*( 1)C2-C7-C10 0.72 0.32 0.014 70. 3C ( 1)C1-C6-Mo21 105. 3C*( 1)C4-C5-Mo21 95.07 0.29 0.148 70. 3C ( 1)C1-C6-Mo21 106. 3C*( 1)C8-C9-Mo21 14.15 0.32 0.060 70. 3C ( 1)C1-C6-Mo21 107. RY ( 1) C 1 2.02 2.11 0.058 70. 3C ( 1)C1-C6-Mo21 108. RY ( 2) C 1 1.20 1.73 0.041 70. 3C ( 1)C1-C6-Mo21 109. RY ( 3) C 1 13.99 2.66 0.172 70. 3C ( 1)C1-C6-Mo21 115. RY ( 9) C 1 2.97 1.97 0.068 70. 3C ( 1)C1-C6-Mo21 117. RY (11) C 1 0.64 3.44 0.042 70. 3C ( 1)C1-C6-Mo21 120. RY (14) C 1 0.79 3.00 0.043 70. 3C ( 1)C1-C6-Mo21 159. RY ( 1) C 2 0.61 1.99 0.031 70. 3C ( 1)C1-C6-Mo21 160. RY ( 2) C 2 0.59 1.90 0.030 70. 3C ( 1)C1-C6-Mo21 161. RY ( 3) C 2 7.02 2.43 0.117 70. 3C ( 1)C1-C6-Mo21 163. RY ( 5) C 2 0.70 2.46 0.037 70. 3C ( 1)C1-C6-Mo21 166. RY ( 8) C 2 1.34 2.84 0.055 70. 3C ( 1)C1-C6-Mo21 169. RY (11) C 2 1.67 2.73 0.060 70. 3C ( 1)C1-C6-Mo21 174. RY (16) C 2 0.72 3.40 0.044 70. 3C ( 1)C1-C6-Mo21 175. RY (17) C 2 0.66 4.97 0.051 70. 3C ( 1)C1-C6-Mo21 180. RY (22) C 2 0.57 4.40 0.045 70. 3C ( 1)C1-C6-Mo21 211. RY ( 1) C 3 0.64 1.95 0.031 70. 3C ( 1)C1-C6-Mo21 212. RY ( 2) C 3 1.82 1.76 0.051 70. 3C ( 1)C1-C6-Mo21 213. RY ( 3) C 3 10.98 2.48 0.147 70. 3C ( 1)C1-C6-Mo21 215. RY ( 5) C 3 1.00 2.45 0.044 70. 3C ( 1)C1-C6-Mo21 216. RY ( 6) C 3 2.08 2.91 0.069 70. 3C ( 1)C1-C6-Mo21 220. RY (10) C 3 5.13 2.97 0.110 70. 3C ( 1)C1-C6-Mo21 222. RY (12) C 3 1.60 3.21 0.064 70. 3C ( 1)C1-C6-Mo21 226. RY (16) C 3 0.52 5.49 0.048 70. 3C ( 1)C1-C6-Mo21 263. RY ( 1) C 4 0.56 1.93 0.029 70. 3C ( 1)C1-C6-Mo21 265. RY ( 3) C 4 8.60 2.38 0.128 70. 3C ( 1)C1-C6-Mo21 266. RY ( 4) C 4 0.90 2.74 0.044 70. 3C ( 1)C1-C6-Mo21 267. RY ( 5) C 4 1.30 2.72 0.053 70. 3C ( 1)C1-C6-Mo21 270. RY ( 8) C 4 6.22 2.86 0.119 70. 3C ( 1)C1-C6-Mo21 272. RY (10) C 4 0.54 4.13 0.042 70. 3C ( 1)C1-C6-Mo21 274. RY (12) C 4 0.84 3.54 0.049 70. 3C ( 1)C1-C6-Mo21 278. RY (16) C 4 0.58 4.54 0.046 70. 3C ( 1)C1-C6-Mo21 315. RY ( 1) C 5 0.72 2.05 0.034 70. 3C ( 1)C1-C6-Mo21 317. RY ( 3) C 5 1.79 2.43 0.059 70. 3C ( 1)C1-C6-Mo21 319. RY ( 5) C 5 4.56 2.24 0.090 70. 3C ( 1)C1-C6-Mo21 322. RY ( 8) C 5 1.70 3.26 0.066 70. 3C ( 1)C1-C6-Mo21 324. RY (10) C 5 0.52 3.26 0.037 70. 3C ( 1)C1-C6-Mo21 328. RY (14) C 5 2.88 5.68 0.114 70. 3C ( 1)C1-C6-Mo21 344. RY (30) C 5 1.18 6.58 0.078 70. 3C ( 1)C1-C6-Mo21 345. RY (31) C 5 0.53 5.57 0.049 70. 3C ( 1)C1-C6-Mo21 368. RY ( 2) C 6 0.61 1.90 0.030 70. 3C ( 1)C1-C6-Mo21 369. RY ( 3) C 6 10.29 2.32 0.138 70. 3C ( 1)C1-C6-Mo21 370. RY ( 4) C 6 1.51 2.75 0.058 70. 3C ( 1)C1-C6-Mo21 374. RY ( 8) C 6 2.30 3.13 0.076 70. 3C ( 1)C1-C6-Mo21 376. RY (10) C 6 1.16 3.26 0.055 70. 3C ( 1)C1-C6-Mo21 378. RY (12) C 6 0.57 3.41 0.039 70. 3C ( 1)C1-C6-Mo21 381. RY (15) C 6 0.86 3.32 0.048 70. 3C ( 1)C1-C6-Mo21 419. RY ( 1) C 7 1.78 1.91 0.052 70. 3C ( 1)C1-C6-Mo21 420. RY ( 2) C 7 0.69 1.74 0.031 70. 3C ( 1)C1-C6-Mo21 421. RY ( 3) C 7 16.47 3.20 0.205 70. 3C ( 1)C1-C6-Mo21 422. RY ( 4) C 7 2.31 2.77 0.071 70. 3C ( 1)C1-C6-Mo21 427. RY ( 9) C 7 6.60 2.90 0.123 70. 3C ( 1)C1-C6-Mo21 430. RY (12) C 7 1.29 3.32 0.058 70. 3C ( 1)C1-C6-Mo21 433. RY (15) C 7 1.43 4.06 0.068 70. 3C ( 1)C1-C6-Mo21 436. RY (18) C 7 0.61 5.00 0.049 70. 3C ( 1)C1-C6-Mo21 438. RY (20) C 7 0.54 4.69 0.045 70. 3C ( 1)C1-C6-Mo21 473. RY ( 3) C 8 12.60 2.22 0.149 70. 3C ( 1)C1-C6-Mo21 475. RY ( 5) C 8 2.11 2.41 0.064 70. 3C ( 1)C1-C6-Mo21 478. RY ( 8) C 8 2.66 2.58 0.074 70. 3C ( 1)C1-C6-Mo21 479. RY ( 9) C 8 0.56 2.59 0.034 70. 3C ( 1)C1-C6-Mo21 480. RY (10) C 8 1.05 2.89 0.049 70. 3C ( 1)C1-C6-Mo21 481. RY (11) C 8 1.31 3.03 0.056 70. 3C ( 1)C1-C6-Mo21 482. RY (12) C 8 0.77 3.98 0.049 70. 3C ( 1)C1-C6-Mo21 524. RY ( 2) C 9 0.58 1.88 0.030 70. 3C ( 1)C1-C6-Mo21 525. RY ( 3) C 9 4.17 2.27 0.087 70. 3C ( 1)C1-C6-Mo21 527. RY ( 5) C 9 0.66 2.36 0.035 70. 3C ( 1)C1-C6-Mo21 530. RY ( 8) C 9 0.82 2.55 0.041 70. 3C ( 1)C1-C6-Mo21 533. RY (11) C 9 1.42 3.30 0.061 70. 3C ( 1)C1-C6-Mo21 535. RY (13) C 9 0.98 3.62 0.053 70. 3C ( 1)C1-C6-Mo21 538. RY (16) C 9 0.50 3.21 0.036 70. 3C ( 1)C1-C6-Mo21 539. RY (17) C 9 0.58 4.49 0.046 70. 3C ( 1)C1-C6-Mo21 577. RY ( 3) C 10 4.58 2.15 0.089 70. 3C ( 1)C1-C6-Mo21 579. RY ( 5) C 10 1.27 2.28 0.048 70. 3C ( 1)C1-C6-Mo21 582. RY ( 8) C 10 1.37 3.05 0.058 70. 3C ( 1)C1-C6-Mo21 584. RY (10) C 10 0.75 3.28 0.044 70. 3C ( 1)C1-C6-Mo21 585. RY (11) C 10 0.64 3.90 0.045 70. 3C ( 1)C1-C6-Mo21 587. RY (13) C 10 0.54 3.52 0.039 70. 3C ( 1)C1-C6-Mo21 591. RY (17) C 10 0.73 3.77 0.047 70. 3C ( 1)C1-C6-Mo21 630. RY ( 4) H 11 1.03 3.22 0.051 70. 3C ( 1)C1-C6-Mo21 775. RY ( 4) H 16 0.91 3.22 0.048 70. 3C ( 1)C1-C6-Mo21 917. RY ( 1)Mo 21 32.91 3.14 0.287 70. 3C ( 1)C1-C6-Mo21 918. RY ( 2)Mo 21 8.71 1.58 0.105 70. 3C ( 1)C1-C6-Mo21 920. RY ( 4)Mo 21 1.91 1.64 0.050 70. 3C ( 1)C1-C6-Mo21 921. RY ( 5)Mo 21 42.83 3.61 0.351 70. 3C ( 1)C1-C6-Mo21 922. RY ( 6)Mo 21 3.34 2.92 0.088 70. 3C ( 1)C1-C6-Mo21 923. RY ( 7)Mo 21 2.97 2.08 0.070 70. 3C ( 1)C1-C6-Mo21 924. RY ( 8)Mo 21 25.19 2.87 0.240 70. 3C ( 1)C1-C6-Mo21 925. RY ( 9)Mo 21 44.47 9.44 0.578 70. 3C ( 1)C1-C6-Mo21 926. RY (10)Mo 21 3.69 2.90 0.092 70. 3C ( 1)C1-C6-Mo21 927. RY (11)Mo 21 3.68 5.92 0.132 70. 3C ( 1)C1-C6-Mo21 928. RY (12)Mo 21 1.94 3.06 0.069 70. 3C ( 1)C1-C6-Mo21 929. RY (13)Mo 21 9.33 3.29 0.156 70. 3C ( 1)C1-C6-Mo21 932. RY (16)Mo 21 10.42 3.15 0.162 70. 3C ( 1)C1-C6-Mo21 934. RY (18)Mo 21 20.08 4.24 0.261 70. 3C ( 1)C1-C6-Mo21 936. RY (20)Mo 21 19.23 3.33 0.226 70. 3C ( 1)C1-C6-Mo21 937. RY (21)Mo 21 0.76 2.60 0.040 70. 3C ( 1)C1-C6-Mo21 940. RY (24)Mo 21 1.90 3.98 0.078 70. 3C ( 1)C1-C6-Mo21 943. RY (27)Mo 21 0.81 3.23 0.046 70. 3C ( 1)C1-C6-Mo21 945. RY (29)Mo 21 0.65 3.69 0.044 70. 3C ( 1)C1-C6-Mo21 947. RY (31)Mo 21 0.87 3.86 0.052 70. 3C ( 1)C1-C6-Mo21 948. RY (32)Mo 21 1.32 4.35 0.068 70. 3C ( 1)C1-C6-Mo21 949. RY (33)Mo 21 0.52 4.59 0.044 70. 3C ( 1)C1-C6-Mo21 951. RY (35)Mo 21 0.50 4.28 0.041 70. 3C ( 1)C1-C6-Mo21 952. RY (36)Mo 21 8.11 4.48 0.170 70. 3C ( 1)C1-C6-Mo21 954. RY (38)Mo 21 7.29 4.98 0.170 70. 3C ( 1)C1-C6-Mo21 955. RY (39)Mo 21 3.09 32.29 0.282 70. 3C ( 1)C1-C6-Mo21 956. RY (40)Mo 21 4.07 12.22 0.199 70. 3C ( 1)C1-C6-Mo21 957. RY (41)Mo 21 1.07 4.75 0.064 70. 3C ( 1)C1-C6-Mo21 958. RY (42)Mo 21 1.28 24.59 0.158 70. 3C ( 1)C1-C6-Mo21 959. RY (43)Mo 21 1.21 5.94 0.076 70. 3C ( 1)C1-C6-Mo21 960. RY (44)Mo 21 2.54 3.72 0.087 70. 3C ( 1)C1-C6-Mo21 961. RY (45)Mo 21 1.99 4.59 0.085 70. 3C ( 1)C1-C6-Mo21 962. RY (46)Mo 21 0.70 8.30 0.068 70. 3C ( 1)C1-C6-Mo21 964. RY (48)Mo 21 3.19 6.04 0.124 70. 3C ( 1)C1-C6-Mo21 965. RY (49)Mo 21 3.03 6.28 0.123 70. 3C ( 1)C1-C6-Mo21 966. RY (50)Mo 21 7.65 10.42 0.252 70. 3C ( 1)C1-C6-Mo21 967. RY (51)Mo 21 0.61 4.48 0.047 70. 3C ( 1)C1-C6-Mo21 968. RY (52)Mo 21 7.14 5.35 0.175 70. 3C ( 1)C1-C6-Mo21 969. RY (53)Mo 21 1.28 4.03 0.064 70. 3C ( 1)C1-C6-Mo21 972. RY (56)Mo 21 2.19 5.05 0.094 70. 3C ( 1)C1-C6-Mo21 973. RY (57)Mo 21 1.82 5.15 0.086 70. 3C ( 1)C1-C6-Mo21 974. RY (58)Mo 21 1.36 4.16 0.067 70. 3C ( 1)C1-C6-Mo21 976. RY (60)Mo 21 2.08 4.66 0.088 70. 3C ( 1)C1-C6-Mo21 979. RY (63)Mo 21 1.18 4.80 0.067 70. 3C ( 1)C1-C6-Mo21 981. RY (65)Mo 21 1.99 4.60 0.085 70. 3C ( 1)C1-C6-Mo21 982. RY (66)Mo 21 1.78 4.30 0.078 70. 3C ( 1)C1-C6-Mo21 986. RY (70)Mo 21 1.34 5.30 0.075 70. 3C ( 1)C1-C6-Mo21 988. RY ( 1) S 22 1.73 1.23 0.041 70. 3C ( 1)C1-C6-Mo21 989. RY ( 2) S 22 3.16 1.49 0.061 70. 3C ( 1)C1-C6-Mo21 990. RY ( 3) S 22 1.65 1.46 0.044 70. 3C ( 1)C1-C6-Mo21 991. RY ( 4) S 22 0.54 1.36 0.024 70. 3C ( 1)C1-C6-Mo21 993. RY ( 6) S 22 15.38 2.58 0.178 70. 3C ( 1)C1-C6-Mo21 994. RY ( 7) S 22 18.45 2.80 0.203 70. 3C ( 1)C1-C6-Mo21 996. RY ( 9) S 22 1.81 2.45 0.059 70. 3C ( 1)C1-C6-Mo21 998. RY (11) S 22 5.45 1.96 0.092 70. 3C ( 1)C1-C6-Mo21 999. RY (12) S 22 2.12 1.87 0.056 70. 3C ( 1)C1-C6-Mo21 1000. RY (13) S 22 1.10 3.07 0.052 70. 3C ( 1)C1-C6-Mo21 1001. RY (14) S 22 4.18 2.34 0.088 70. 3C ( 1)C1-C6-Mo21 1002. RY (15) S 22 4.17 2.40 0.089 70. 3C ( 1)C1-C6-Mo21 1004. RY (17) S 22 0.63 2.61 0.036 70. 3C ( 1)C1-C6-Mo21 1005. RY (18) S 22 0.55 2.74 0.035 70. 3C ( 1)C1-C6-Mo21 1007. RY (20) S 22 0.94 2.49 0.043 70. 3C ( 1)C1-C6-Mo21 1008. RY (21) S 22 1.12 3.02 0.052 70. 3C ( 1)C1-C6-Mo21 1171. RY ( 1) S 25 1.77 1.21 0.041 70. 3C ( 1)C1-C6-Mo21 1172. RY ( 2) S 25 2.06 1.51 0.050 70. 3C ( 1)C1-C6-Mo21 1173. RY ( 3) S 25 1.17 1.36 0.036 70. 3C ( 1)C1-C6-Mo21 1176. RY ( 6) S 25 10.45 2.45 0.143 70. 3C ( 1)C1-C6-Mo21 1177. RY ( 7) S 25 8.45 2.28 0.124 70. 3C ( 1)C1-C6-Mo21 1178. RY ( 8) S 25 7.38 2.47 0.120 70. 3C ( 1)C1-C6-Mo21 1179. RY ( 9) S 25 2.98 2.12 0.071 70. 3C ( 1)C1-C6-Mo21 1180. RY (10) S 25 0.74 2.75 0.040 70. 3C ( 1)C1-C6-Mo21 1181. RY (11) S 25 6.16 2.28 0.106 70. 3C ( 1)C1-C6-Mo21 1182. RY (12) S 25 0.71 2.49 0.037 70. 3C ( 1)C1-C6-Mo21 1183. RY (13) S 25 2.40 2.16 0.064 70. 3C ( 1)C1-C6-Mo21 1184. RY (14) S 25 0.79 2.21 0.037 70. 3C ( 1)C1-C6-Mo21 1185. RY (15) S 25 1.11 2.34 0.045 70. 3C ( 1)C1-C6-Mo21 1191. RY (21) S 25 0.78 3.51 0.047 70. 3C ( 1)C1-C6-Mo21 1192. RY (22) S 25 0.77 2.79 0.041 71. 3C ( 1)C2-C7-C10 78. BD*( 1) C 2- C 7 0.61 0.76 0.019 71. 3C ( 1)C2-C7-C10 80. BD*( 1) C 2- H 12 1.13 0.73 0.026 71. 3C ( 1)C2-C7-C10 88. BD*( 1) C 7- C 8 2.28 0.75 0.037 71. 3C ( 1)C2-C7-C10 92. BD*( 1) C 9- C 10 1.91 0.75 0.034 71. 3C ( 1)C2-C7-C10 95. BD*( 1)Mo 21- S 22 5.88 0.40 0.044 71. 3C ( 1)C2-C7-C10 96. BD*( 1)Mo 21- S 25 0.81 0.40 0.016 71. 3C ( 1)C2-C7-C10 101. 3Cn( 1)C4-C5-Mo21 1.04 0.35 0.017 71. 3C ( 1)C2-C7-C10 102. 3Cn( 1)C8-C9-Mo21 5.55 0.55 0.049 71. 3C ( 1)C2-C7-C10 103. 3C*( 1)C1-C6-Mo21 69.40 0.95 0.230 71. 3C ( 1)C2-C7-C10 105. 3C*( 1)C4-C5-Mo21 1.05 0.35 0.017 71. 3C ( 1)C2-C7-C10 106. 3C*( 1)C8-C9-Mo21 2.12 0.37 0.025 71. 3C ( 1)C2-C7-C10 107. RY ( 1) C 1 0.54 2.16 0.030 71. 3C ( 1)C2-C7-C10 109. RY ( 3) C 1 5.11 2.71 0.105 71. 3C ( 1)C2-C7-C10 115. RY ( 9) C 1 0.82 2.03 0.036 71. 3C ( 1)C2-C7-C10 161. RY ( 3) C 2 2.15 2.49 0.065 71. 3C ( 1)C2-C7-C10 163. RY ( 5) C 2 0.88 2.52 0.042 71. 3C ( 1)C2-C7-C10 166. RY ( 8) C 2 0.72 2.89 0.041 71. 3C ( 1)C2-C7-C10 169. RY (11) C 2 1.09 2.79 0.049 71. 3C ( 1)C2-C7-C10 213. RY ( 3) C 3 2.81 2.54 0.075 71. 3C ( 1)C2-C7-C10 220. RY (10) C 3 0.81 3.02 0.044 71. 3C ( 1)C2-C7-C10 265. RY ( 3) C 4 1.08 2.44 0.046 71. 3C ( 1)C2-C7-C10 270. RY ( 8) C 4 1.25 2.92 0.054 71. 3C ( 1)C2-C7-C10 369. RY ( 3) C 6 1.49 2.38 0.053 71. 3C ( 1)C2-C7-C10 374. RY ( 8) C 6 0.71 3.19 0.042 71. 3C ( 1)C2-C7-C10 421. RY ( 3) C 7 4.42 3.25 0.107 71. 3C ( 1)C2-C7-C10 422. RY ( 4) C 7 0.55 2.83 0.035 71. 3C ( 1)C2-C7-C10 427. RY ( 9) C 7 2.76 2.95 0.081 71. 3C ( 1)C2-C7-C10 471. RY ( 1) C 8 0.50 2.02 0.028 71. 3C ( 1)C2-C7-C10 473. RY ( 3) C 8 1.96 2.28 0.060 71. 3C ( 1)C2-C7-C10 478. RY ( 8) C 8 0.60 2.64 0.035 71. 3C ( 1)C2-C7-C10 525. RY ( 3) C 9 0.93 2.32 0.041 71. 3C ( 1)C2-C7-C10 577. RY ( 3) C 10 0.74 2.20 0.036 71. 3C ( 1)C2-C7-C10 579. RY ( 5) C 10 1.18 2.34 0.047 71. 3C ( 1)C2-C7-C10 582. RY ( 8) C 10 0.57 3.11 0.037 71. 3C ( 1)C2-C7-C10 917. RY ( 1)Mo 21 7.11 3.20 0.135 71. 3C ( 1)C2-C7-C10 918. RY ( 2)Mo 21 5.74 1.64 0.087 71. 3C ( 1)C2-C7-C10 920. RY ( 4)Mo 21 1.11 1.70 0.039 71. 3C ( 1)C2-C7-C10 921. RY ( 5)Mo 21 10.99 3.67 0.179 71. 3C ( 1)C2-C7-C10 924. RY ( 8)Mo 21 10.32 2.92 0.155 71. 3C ( 1)C2-C7-C10 925. RY ( 9)Mo 21 10.06 9.49 0.276 71. 3C ( 1)C2-C7-C10 926. RY (10)Mo 21 1.59 2.95 0.061 71. 3C ( 1)C2-C7-C10 927. RY (11)Mo 21 3.72 5.98 0.133 71. 3C ( 1)C2-C7-C10 928. RY (12)Mo 21 0.69 3.12 0.041 71. 3C ( 1)C2-C7-C10 929. RY (13)Mo 21 3.67 3.35 0.099 71. 3C ( 1)C2-C7-C10 932. RY (16)Mo 21 3.35 3.21 0.093 71. 3C ( 1)C2-C7-C10 934. RY (18)Mo 21 4.86 4.30 0.129 71. 3C ( 1)C2-C7-C10 936. RY (20)Mo 21 5.32 3.39 0.120 71. 3C ( 1)C2-C7-C10 952. RY (36)Mo 21 1.86 4.54 0.082 71. 3C ( 1)C2-C7-C10 954. RY (38)Mo 21 1.97 5.04 0.089 71. 3C ( 1)C2-C7-C10 955. RY (39)Mo 21 0.91 32.34 0.153 71. 3C ( 1)C2-C7-C10 956. RY (40)Mo 21 1.14 12.28 0.106 71. 3C ( 1)C2-C7-C10 957. RY (41)Mo 21 0.55 4.81 0.046 71. 3C ( 1)C2-C7-C10 960. RY (44)Mo 21 0.81 3.77 0.049 71. 3C ( 1)C2-C7-C10 964. RY (48)Mo 21 0.80 6.10 0.062 71. 3C ( 1)C2-C7-C10 965. RY (49)Mo 21 1.16 6.34 0.076 71. 3C ( 1)C2-C7-C10 966. RY (50)Mo 21 2.10 10.48 0.133 71. 3C ( 1)C2-C7-C10 968. RY (52)Mo 21 1.45 5.41 0.079 71. 3C ( 1)C2-C7-C10 982. RY (66)Mo 21 0.57 4.36 0.044 71. 3C ( 1)C2-C7-C10 993. RY ( 6) S 22 2.93 2.63 0.078 71. 3C ( 1)C2-C7-C10 994. RY ( 7) S 22 2.36 2.85 0.073 71. 3C ( 1)C2-C7-C10 996. RY ( 9) S 22 0.75 2.50 0.039 71. 3C ( 1)C2-C7-C10 998. RY (11) S 22 0.76 2.01 0.035 71. 3C ( 1)C2-C7-C10 1001. RY (14) S 22 0.86 2.39 0.041 71. 3C ( 1)C2-C7-C10 1002. RY (15) S 22 0.63 2.45 0.035 71. 3C ( 1)C2-C7-C10 1176. RY ( 6) S 25 2.47 2.51 0.070 71. 3C ( 1)C2-C7-C10 1177. RY ( 7) S 25 1.89 2.33 0.059 71. 3C ( 1)C2-C7-C10 1178. RY ( 8) S 25 0.97 2.53 0.044 71. 3C ( 1)C2-C7-C10 1179. RY ( 9) S 25 0.61 2.17 0.033 71. 3C ( 1)C2-C7-C10 1181. RY (11) S 25 1.66 2.33 0.056 71. 3C ( 1)C2-C7-C10 1183. RY (13) S 25 0.52 2.21 0.030 72. 3C ( 1)C4-C5-Mo21 81. BD*( 1) C 3- C 4 2.83 0.80 0.042 72. 3C ( 1)C4-C5-Mo21 82. BD*( 1) C 3- H 13 0.77 0.76 0.022 72. 3C ( 1)C4-C5-Mo21 84. BD*( 1) C 4- H 14 1.35 0.74 0.028 72. 3C ( 1)C4-C5-Mo21 85. BD*( 1) C 5- C 6 4.04 0.78 0.050 72. 3C ( 1)C4-C5-Mo21 86. BD*( 1) C 5- H 15 1.16 0.73 0.026 72. 3C ( 1)C4-C5-Mo21 87. BD*( 1) C 6- H 16 1.28 0.74 0.027 72. 3C ( 1)C4-C5-Mo21 96. BD*( 1)Mo 21- S 25 6.10 0.42 0.045 72. 3C ( 1)C4-C5-Mo21 100. 3Cn( 1)C1-C6-Mo21 21.14 0.34 0.076 72. 3C ( 1)C4-C5-Mo21 101. 3Cn( 1)C4-C5-Mo21 0.81 0.38 0.016 72. 3C ( 1)C4-C5-Mo21 102. 3Cn( 1)C8-C9-Mo21 6.01 0.57 0.052 72. 3C ( 1)C4-C5-Mo21 103. 3C*( 1)C1-C6-Mo21 14.34 0.98 0.106 72. 3C ( 1)C4-C5-Mo21 105. 3C*( 1)C4-C5-Mo21 1.88 0.37 0.024 72. 3C ( 1)C4-C5-Mo21 106. 3C*( 1)C8-C9-Mo21 2.00 0.40 0.025 72. 3C ( 1)C4-C5-Mo21 109. RY ( 3) C 1 3.78 2.74 0.091 72. 3C ( 1)C4-C5-Mo21 161. RY ( 3) C 2 2.17 2.51 0.066 72. 3C ( 1)C4-C5-Mo21 213. RY ( 3) C 3 1.29 2.56 0.051 72. 3C ( 1)C4-C5-Mo21 214. RY ( 4) C 3 0.69 2.71 0.039 72. 3C ( 1)C4-C5-Mo21 215. RY ( 5) C 3 0.98 2.53 0.044 72. 3C ( 1)C4-C5-Mo21 220. RY (10) C 3 0.63 3.05 0.039 72. 3C ( 1)C4-C5-Mo21 222. RY (12) C 3 0.75 3.29 0.044 72. 3C ( 1)C4-C5-Mo21 265. RY ( 3) C 4 0.86 2.46 0.041 72. 3C ( 1)C4-C5-Mo21 270. RY ( 8) C 4 0.59 2.95 0.037 72. 3C ( 1)C4-C5-Mo21 371. RY ( 5) C 6 2.16 2.68 0.068 72. 3C ( 1)C4-C5-Mo21 421. RY ( 3) C 7 0.99 3.28 0.051 72. 3C ( 1)C4-C5-Mo21 427. RY ( 9) C 7 0.94 2.98 0.047 72. 3C ( 1)C4-C5-Mo21 473. RY ( 3) C 8 0.82 2.30 0.039 72. 3C ( 1)C4-C5-Mo21 525. RY ( 3) C 9 0.60 2.35 0.034 72. 3C ( 1)C4-C5-Mo21 745. RY ( 3) H 15 0.60 3.41 0.040 72. 3C ( 1)C4-C5-Mo21 917. RY ( 1)Mo 21 5.69 3.22 0.121 72. 3C ( 1)C4-C5-Mo21 918. RY ( 2)Mo 21 1.36 1.66 0.042 72. 3C ( 1)C4-C5-Mo21 920. RY ( 4)Mo 21 1.57 1.72 0.046 72. 3C ( 1)C4-C5-Mo21 921. RY ( 5)Mo 21 4.54 3.69 0.116 72. 3C ( 1)C4-C5-Mo21 924. RY ( 8)Mo 21 4.30 2.95 0.100 72. 3C ( 1)C4-C5-Mo21 925. RY ( 9)Mo 21 6.26 9.52 0.218 72. 3C ( 1)C4-C5-Mo21 929. RY (13)Mo 21 0.93 3.37 0.050 72. 3C ( 1)C4-C5-Mo21 932. RY (16)Mo 21 1.46 3.24 0.061 72. 3C ( 1)C4-C5-Mo21 934. RY (18)Mo 21 1.80 4.32 0.079 72. 3C ( 1)C4-C5-Mo21 936. RY (20)Mo 21 1.52 3.41 0.064 72. 3C ( 1)C4-C5-Mo21 952. RY (36)Mo 21 0.59 4.56 0.046 72. 3C ( 1)C4-C5-Mo21 954. RY (38)Mo 21 1.08 5.07 0.066 72. 3C ( 1)C4-C5-Mo21 956. RY (40)Mo 21 0.57 12.30 0.075 72. 3C ( 1)C4-C5-Mo21 966. RY (50)Mo 21 0.94 10.50 0.089 72. 3C ( 1)C4-C5-Mo21 968. RY (52)Mo 21 0.98 5.43 0.065 72. 3C ( 1)C4-C5-Mo21 993. RY ( 6) S 22 1.50 2.66 0.056 72. 3C ( 1)C4-C5-Mo21 994. RY ( 7) S 22 0.73 2.88 0.041 72. 3C ( 1)C4-C5-Mo21 1171. RY ( 1) S 25 0.58 1.29 0.024 72. 3C ( 1)C4-C5-Mo21 1176. RY ( 6) S 25 1.59 2.53 0.057 72. 3C ( 1)C4-C5-Mo21 1177. RY ( 7) S 25 0.69 2.36 0.036 72. 3C ( 1)C4-C5-Mo21 1178. RY ( 8) S 25 0.63 2.55 0.036 72. 3C ( 1)C4-C5-Mo21 1179. RY ( 9) S 25 0.53 2.20 0.030 72. 3C ( 1)C4-C5-Mo21 1181. RY (11) S 25 0.72 2.36 0.037 73. 3C ( 1)C8-C9-Mo21 88. BD*( 1) C 7- C 8 3.36 0.74 0.045 73. 3C ( 1)C8-C9-Mo21 89. BD*( 1) C 7- H 17 1.12 0.72 0.025 73. 3C ( 1)C8-C9-Mo21 91. BD*( 1) C 8- H 18 1.48 0.72 0.029 73. 3C ( 1)C8-C9-Mo21 92. BD*( 1) C 9- C 10 2.74 0.74 0.040 73. 3C ( 1)C8-C9-Mo21 93. BD*( 1) C 9- H 19 0.78 0.69 0.021 73. 3C ( 1)C8-C9-Mo21 94. BD*( 1) C 10- H 20 0.69 0.69 0.020 73. 3C ( 1)C8-C9-Mo21 95. BD*( 1)Mo 21- S 22 42.66 0.39 0.116 73. 3C ( 1)C8-C9-Mo21 96. BD*( 1)Mo 21- S 25 4.41 0.39 0.037 73. 3C ( 1)C8-C9-Mo21 97. BD*( 1) S 22- S 23 0.66 0.39 0.014 73. 3C ( 1)C8-C9-Mo21 101. 3Cn( 1)C4-C5-Mo21 19.69 0.34 0.073 73. 3C ( 1)C8-C9-Mo21 102. 3Cn( 1)C8-C9-Mo21 19.24 0.54 0.091 73. 3C ( 1)C8-C9-Mo21 103. 3C*( 1)C1-C6-Mo21 42.67 0.94 0.179 73. 3C ( 1)C8-C9-Mo21 104. 3C*( 1)C2-C7-C10 37.04 0.37 0.105 73. 3C ( 1)C8-C9-Mo21 105. 3C*( 1)C4-C5-Mo21 14.74 0.34 0.063 73. 3C ( 1)C8-C9-Mo21 106. 3C*( 1)C8-C9-Mo21 4.01 0.36 0.034 73. 3C ( 1)C8-C9-Mo21 107. RY ( 1) C 1 1.17 2.15 0.045 73. 3C ( 1)C8-C9-Mo21 109. RY ( 3) C 1 7.19 2.70 0.124 73. 3C ( 1)C8-C9-Mo21 115. RY ( 9) C 1 1.87 2.02 0.055 73. 3C ( 1)C8-C9-Mo21 118. RY (12) C 1 0.73 3.30 0.044 73. 3C ( 1)C8-C9-Mo21 120. RY (14) C 1 0.59 3.04 0.038 73. 3C ( 1)C8-C9-Mo21 161. RY ( 3) C 2 6.76 2.48 0.116 73. 3C ( 1)C8-C9-Mo21 166. RY ( 8) C 2 0.89 2.88 0.045 73. 3C ( 1)C8-C9-Mo21 169. RY (11) C 2 0.88 2.78 0.044 73. 3C ( 1)C8-C9-Mo21 211. RY ( 1) C 3 0.68 2.00 0.033 73. 3C ( 1)C8-C9-Mo21 213. RY ( 3) C 3 3.35 2.53 0.082 73. 3C ( 1)C8-C9-Mo21 220. RY (10) C 3 2.04 3.01 0.070 73. 3C ( 1)C8-C9-Mo21 222. RY (12) C 3 0.63 3.26 0.040 73. 3C ( 1)C8-C9-Mo21 265. RY ( 3) C 4 3.80 2.43 0.086 73. 3C ( 1)C8-C9-Mo21 267. RY ( 5) C 4 0.97 2.77 0.046 73. 3C ( 1)C8-C9-Mo21 270. RY ( 8) C 4 2.84 2.91 0.081 73. 3C ( 1)C8-C9-Mo21 317. RY ( 3) C 5 1.51 2.47 0.055 73. 3C ( 1)C8-C9-Mo21 319. RY ( 5) C 5 0.86 2.29 0.040 73. 3C ( 1)C8-C9-Mo21 322. RY ( 8) C 5 1.00 3.31 0.051 73. 3C ( 1)C8-C9-Mo21 328. RY (14) C 5 1.07 5.73 0.070 73. 3C ( 1)C8-C9-Mo21 369. RY ( 3) C 6 7.47 2.37 0.119 73. 3C ( 1)C8-C9-Mo21 370. RY ( 4) C 6 0.73 2.80 0.040 73. 3C ( 1)C8-C9-Mo21 371. RY ( 5) C 6 0.82 2.65 0.042 73. 3C ( 1)C8-C9-Mo21 374. RY ( 8) C 6 1.28 3.18 0.057 73. 3C ( 1)C8-C9-Mo21 376. RY (10) C 6 0.58 3.31 0.039 73. 3C ( 1)C8-C9-Mo21 419. RY ( 1) C 7 1.36 1.95 0.046 73. 3C ( 1)C8-C9-Mo21 421. RY ( 3) C 7 9.17 3.24 0.154 73. 3C ( 1)C8-C9-Mo21 422. RY ( 4) C 7 2.85 2.82 0.080 73. 3C ( 1)C8-C9-Mo21 423. RY ( 5) C 7 1.31 2.13 0.047 73. 3C ( 1)C8-C9-Mo21 427. RY ( 9) C 7 3.93 2.94 0.096 73. 3C ( 1)C8-C9-Mo21 430. RY (12) C 7 1.02 3.37 0.052 73. 3C ( 1)C8-C9-Mo21 433. RY (15) C 7 1.18 4.10 0.062 73. 3C ( 1)C8-C9-Mo21 473. RY ( 3) C 8 5.03 2.27 0.095 73. 3C ( 1)C8-C9-Mo21 478. RY ( 8) C 8 0.97 2.63 0.045 73. 3C ( 1)C8-C9-Mo21 481. RY (11) C 8 0.72 3.07 0.042 73. 3C ( 1)C8-C9-Mo21 525. RY ( 3) C 9 1.85 2.31 0.058 73. 3C ( 1)C8-C9-Mo21 533. RY (11) C 9 0.58 3.35 0.039 73. 3C ( 1)C8-C9-Mo21 538. RY (16) C 9 0.69 3.26 0.042 73. 3C ( 1)C8-C9-Mo21 577. RY ( 3) C 10 1.09 2.19 0.044 73. 3C ( 1)C8-C9-Mo21 579. RY ( 5) C 10 2.61 2.33 0.069 73. 3C ( 1)C8-C9-Mo21 582. RY ( 8) C 10 0.79 3.10 0.044 73. 3C ( 1)C8-C9-Mo21 586. RY (12) C 10 0.59 4.06 0.044 73. 3C ( 1)C8-C9-Mo21 587. RY (13) C 10 0.60 3.56 0.041 73. 3C ( 1)C8-C9-Mo21 588. RY (14) C 10 0.50 3.21 0.036 73. 3C ( 1)C8-C9-Mo21 832. RY ( 3) H 18 0.62 3.17 0.039 73. 3C ( 1)C8-C9-Mo21 861. RY ( 3) H 19 0.69 3.11 0.041 73. 3C ( 1)C8-C9-Mo21 917. RY ( 1)Mo 21 21.66 3.19 0.234 73. 3C ( 1)C8-C9-Mo21 918. RY ( 2)Mo 21 3.26 1.63 0.065 73. 3C ( 1)C8-C9-Mo21 921. RY ( 5)Mo 21 22.10 3.66 0.254 73. 3C ( 1)C8-C9-Mo21 922. RY ( 6)Mo 21 2.51 2.97 0.077 73. 3C ( 1)C8-C9-Mo21 923. RY ( 7)Mo 21 1.33 2.12 0.047 73. 3C ( 1)C8-C9-Mo21 924. RY ( 8)Mo 21 16.38 2.91 0.195 73. 3C ( 1)C8-C9-Mo21 925. RY ( 9)Mo 21 22.93 9.48 0.416 73. 3C ( 1)C8-C9-Mo21 926. RY (10)Mo 21 1.56 2.94 0.060 73. 3C ( 1)C8-C9-Mo21 927. RY (11)Mo 21 1.74 5.97 0.091 73. 3C ( 1)C8-C9-Mo21 928. RY (12)Mo 21 1.03 3.11 0.051 73. 3C ( 1)C8-C9-Mo21 929. RY (13)Mo 21 4.55 3.34 0.110 73. 3C ( 1)C8-C9-Mo21 932. RY (16)Mo 21 6.29 3.20 0.127 73. 3C ( 1)C8-C9-Mo21 934. RY (18)Mo 21 9.61 4.29 0.181 73. 3C ( 1)C8-C9-Mo21 936. RY (20)Mo 21 9.53 3.38 0.160 73. 3C ( 1)C8-C9-Mo21 940. RY (24)Mo 21 0.82 4.03 0.051 73. 3C ( 1)C8-C9-Mo21 945. RY (29)Mo 21 0.51 3.74 0.039 73. 3C ( 1)C8-C9-Mo21 948. RY (32)Mo 21 0.88 4.40 0.056 73. 3C ( 1)C8-C9-Mo21 952. RY (36)Mo 21 3.75 4.53 0.116 73. 3C ( 1)C8-C9-Mo21 954. RY (38)Mo 21 3.57 5.03 0.120 73. 3C ( 1)C8-C9-Mo21 955. RY (39)Mo 21 1.75 32.33 0.212 73. 3C ( 1)C8-C9-Mo21 956. RY (40)Mo 21 2.31 12.27 0.150 73. 3C ( 1)C8-C9-Mo21 957. RY (41)Mo 21 0.58 4.80 0.047 73. 3C ( 1)C8-C9-Mo21 958. RY (42)Mo 21 0.78 24.64 0.124 73. 3C ( 1)C8-C9-Mo21 959. RY (43)Mo 21 0.77 5.99 0.061 73. 3C ( 1)C8-C9-Mo21 960. RY (44)Mo 21 1.73 3.76 0.072 73. 3C ( 1)C8-C9-Mo21 961. RY (45)Mo 21 0.97 4.63 0.060 73. 3C ( 1)C8-C9-Mo21 964. RY (48)Mo 21 1.46 6.09 0.084 73. 3C ( 1)C8-C9-Mo21 965. RY (49)Mo 21 1.97 6.33 0.100 73. 3C ( 1)C8-C9-Mo21 966. RY (50)Mo 21 4.14 10.47 0.186 73. 3C ( 1)C8-C9-Mo21 968. RY (52)Mo 21 4.12 5.40 0.133 73. 3C ( 1)C8-C9-Mo21 969. RY (53)Mo 21 0.50 4.08 0.040 73. 3C ( 1)C8-C9-Mo21 972. RY (56)Mo 21 0.95 5.09 0.062 73. 3C ( 1)C8-C9-Mo21 973. RY (57)Mo 21 0.80 5.20 0.058 73. 3C ( 1)C8-C9-Mo21 974. RY (58)Mo 21 0.76 4.21 0.050 73. 3C ( 1)C8-C9-Mo21 976. RY (60)Mo 21 0.71 4.70 0.051 73. 3C ( 1)C8-C9-Mo21 979. RY (63)Mo 21 0.58 4.84 0.047 73. 3C ( 1)C8-C9-Mo21 981. RY (65)Mo 21 0.75 4.65 0.053 73. 3C ( 1)C8-C9-Mo21 982. RY (66)Mo 21 0.92 4.35 0.057 73. 3C ( 1)C8-C9-Mo21 986. RY (70)Mo 21 0.67 5.35 0.053 73. 3C ( 1)C8-C9-Mo21 988. RY ( 1) S 22 1.23 1.28 0.035 73. 3C ( 1)C8-C9-Mo21 989. RY ( 2) S 22 1.58 1.54 0.044 73. 3C ( 1)C8-C9-Mo21 990. RY ( 3) S 22 0.76 1.51 0.030 73. 3C ( 1)C8-C9-Mo21 993. RY ( 6) S 22 8.66 2.62 0.135 73. 3C ( 1)C8-C9-Mo21 994. RY ( 7) S 22 8.74 2.84 0.141 73. 3C ( 1)C8-C9-Mo21 996. RY ( 9) S 22 1.21 2.49 0.049 73. 3C ( 1)C8-C9-Mo21 998. RY (11) S 22 2.60 2.00 0.064 73. 3C ( 1)C8-C9-Mo21 999. RY (12) S 22 0.90 1.91 0.037 73. 3C ( 1)C8-C9-Mo21 1000. RY (13) S 22 0.55 3.12 0.037 73. 3C ( 1)C8-C9-Mo21 1001. RY (14) S 22 2.18 2.38 0.064 73. 3C ( 1)C8-C9-Mo21 1002. RY (15) S 22 2.17 2.44 0.065 73. 3C ( 1)C8-C9-Mo21 1008. RY (21) S 22 0.55 3.07 0.037 73. 3C ( 1)C8-C9-Mo21 1171. RY ( 1) S 25 0.82 1.26 0.029 73. 3C ( 1)C8-C9-Mo21 1176. RY ( 6) S 25 5.24 2.50 0.102 73. 3C ( 1)C8-C9-Mo21 1177. RY ( 7) S 25 3.39 2.32 0.079 73. 3C ( 1)C8-C9-Mo21 1178. RY ( 8) S 25 3.55 2.52 0.084 73. 3C ( 1)C8-C9-Mo21 1179. RY ( 9) S 25 0.77 2.16 0.036 73. 3C ( 1)C8-C9-Mo21 1181. RY (11) S 25 2.32 2.32 0.066 73. 3C ( 1)C8-C9-Mo21 1183. RY (13) S 25 0.98 2.20 0.041 73. 3C ( 1)C8-C9-Mo21 1184. RY (14) S 25 0.60 2.26 0.033 73. 3C ( 1)C8-C9-Mo21 1185. RY (15) S 25 0.66 2.39 0.035 74. 3Cn( 1)C2-C7-C10 78. BD*( 1) C 2- C 7 5.99 0.56 0.052 74. 3Cn( 1)C2-C7-C10 79. BD*( 1) C 2- C 10 4.79 0.59 0.047 74. 3Cn( 1)C2-C7-C10 88. BD*( 1) C 7- C 8 5.04 0.56 0.048 74. 3Cn( 1)C2-C7-C10 91. BD*( 1) C 8- H 18 1.41 0.54 0.025 74. 3Cn( 1)C2-C7-C10 92. BD*( 1) C 9- C 10 2.85 0.56 0.036 74. 3Cn( 1)C2-C7-C10 93. BD*( 1) C 9- H 19 0.83 0.51 0.018 74. 3Cn( 1)C2-C7-C10 95. BD*( 1)Mo 21- S 22 25.79 0.21 0.066 74. 3Cn( 1)C2-C7-C10 96. BD*( 1)Mo 21- S 25 1.68 0.20 0.017 74. 3Cn( 1)C2-C7-C10 100. 3Cn( 1)C1-C6-Mo21 0.79 0.13 0.009 74. 3Cn( 1)C2-C7-C10 101. 3Cn( 1)C4-C5-Mo21 46.37 0.16 0.077 74. 3Cn( 1)C2-C7-C10 102. 3Cn( 1)C8-C9-Mo21 11.49 0.36 0.057 74. 3Cn( 1)C2-C7-C10 103. 3C*( 1)C1-C6-Mo21 4.63 0.76 0.053 74. 3Cn( 1)C2-C7-C10 104. 3C*( 1)C2-C7-C10 1.12 0.19 0.013 74. 3Cn( 1)C2-C7-C10 105. 3C*( 1)C4-C5-Mo21 54.78 0.15 0.082 74. 3Cn( 1)C2-C7-C10 106. 3C*( 1)C8-C9-Mo21 84.08 0.18 0.110 74. 3Cn( 1)C2-C7-C10 162. RY ( 4) C 2 3.45 2.86 0.089 74. 3Cn( 1)C2-C7-C10 163. RY ( 5) C 2 1.74 2.33 0.057 74. 3Cn( 1)C2-C7-C10 167. RY ( 9) C 2 0.51 3.06 0.035 74. 3Cn( 1)C2-C7-C10 172. RY (14) C 2 0.68 3.68 0.045 74. 3Cn( 1)C2-C7-C10 174. RY (16) C 2 0.91 3.26 0.049 74. 3Cn( 1)C2-C7-C10 192. RY (34) C 2 0.56 5.86 0.051 74. 3Cn( 1)C2-C7-C10 419. RY ( 1) C 7 1.51 1.77 0.046 74. 3Cn( 1)C2-C7-C10 420. RY ( 2) C 7 0.53 1.60 0.026 74. 3Cn( 1)C2-C7-C10 421. RY ( 3) C 7 0.96 3.06 0.048 74. 3Cn( 1)C2-C7-C10 422. RY ( 4) C 7 2.18 2.64 0.068 74. 3Cn( 1)C2-C7-C10 423. RY ( 5) C 7 1.07 1.95 0.041 74. 3Cn( 1)C2-C7-C10 427. RY ( 9) C 7 2.57 2.76 0.075 74. 3Cn( 1)C2-C7-C10 447. RY (29) C 7 0.58 5.99 0.053 74. 3Cn( 1)C2-C7-C10 473. RY ( 3) C 8 1.14 2.08 0.044 74. 3Cn( 1)C2-C7-C10 475. RY ( 5) C 8 0.81 2.27 0.038 74. 3Cn( 1)C2-C7-C10 523. RY ( 1) C 9 0.75 1.73 0.032 74. 3Cn( 1)C2-C7-C10 526. RY ( 4) C 9 0.81 2.94 0.043 74. 3Cn( 1)C2-C7-C10 532. RY (10) C 9 0.52 4.22 0.042 74. 3Cn( 1)C2-C7-C10 578. RY ( 4) C 10 1.38 3.06 0.058 74. 3Cn( 1)C2-C7-C10 804. RY ( 4) H 17 0.75 3.31 0.044 74. 3Cn( 1)C2-C7-C10 807. RY ( 7) H 17 0.60 5.07 0.049 74. 3Cn( 1)C2-C7-C10 917. RY ( 1)Mo 21 1.11 3.00 0.052 74. 3Cn( 1)C2-C7-C10 921. RY ( 5)Mo 21 1.05 3.48 0.054 74. 3Cn( 1)C2-C7-C10 925. RY ( 9)Mo 21 0.60 9.30 0.067 74. 3Cn( 1)C2-C7-C10 929. RY (13)Mo 21 0.66 3.16 0.041 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C10H10S4Mo) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 1.99997 -10.22485 2. CR ( 1) C 2 1.99997 -10.23114 3. CR ( 1) C 3 1.99997 -10.22928 4. CR ( 1) C 4 1.99997 -10.22645 5. CR ( 1) C 5 1.99997 -10.23605 6. CR ( 1) C 6 1.99997 -10.22824 7. CR ( 1) C 7 1.99997 -10.22008 8. CR ( 1) C 8 1.99997 -10.22954 9. CR ( 1) C 9 1.99997 -10.24055 10. CR ( 1) C 10 1.99997 -10.23949 11. CR ( 1)Mo 21 1.99993 -2.60462 12. CR ( 2)Mo 21 1.99982 -1.59030 13. CR ( 3)Mo 21 1.99976 -1.60499 14. CR ( 4)Mo 21 1.99984 -1.57627 15. CR ( 1) S 22 2.00000 -87.62304 16. CR ( 2) S 22 2.00000 -8.87836 17. CR ( 3) S 22 2.00000 -5.84249 18. CR ( 4) S 22 2.00000 -5.83170 19. CR ( 5) S 22 1.99999 -5.83707 20. CR ( 1) S 23 2.00000 -87.95835 21. CR ( 2) S 23 2.00000 -8.61589 22. CR ( 3) S 23 1.99999 -5.87331 23. CR ( 4) S 23 1.99999 -5.87232 24. CR ( 5) S 23 1.99999 -5.87201 25. CR ( 1) S 24 2.00000 -87.92476 26. CR ( 2) S 24 2.00000 -8.65649 27. CR ( 3) S 24 1.99999 -5.87634 28. CR ( 4) S 24 1.99999 -5.87591 29. CR ( 5) S 24 1.99999 -5.87578 30. CR ( 1) S 25 2.00000 -87.56509 31. CR ( 2) S 25 2.00000 -8.94640 32. CR ( 3) S 25 2.00000 -5.84718 33. CR ( 4) S 25 2.00000 -5.83694 34. CR ( 5) S 25 1.99999 -5.84226 35. LP ( 1) C 3 0.90213 -0.13296 100(v),102(r),101(v),105(v) 106(r),75(g),81(g),216(g) 925(r),921(r),917(r),222(g) 109(v),84(v),95(r),267(v) 220(g),215(g),111(v),934(r) 265(v),421(r),270(v),112(v) 77(v),103(v),936(r),1176(r) 223(g),924(r),932(r),687(v) 110(v),691(v),993(r),211(g) 928(r),1181(r),104(r) 688(v),685(v),920(r),124(v) 36. LP ( 1)Mo 21 1.71706 -0.17574 104(r),105(g),106(g),101(g) 100(g),97(v),99(v),988(v) 1171(v),103(g),96(g),95(g) 317(v),924(g),917(g),954(g) 577(r),918(g) 37. LP ( 1) S 22 1.97104 -0.45780 103(v),102(v),101(v),918(v) 920(v),924(v),936(v) 38. LP ( 2) S 22 1.87303 -0.20194 101(v),98(v),105(v),1049(v) 1050(v),100(v) 39. LP ( 1) S 23 1.99300 -0.48556 40. LP ( 2) S 23 1.90347 -0.23405 99(v),1110(v),95(v),988(v) 1054(g) 41. LP ( 1) S 24 1.99336 -0.48911 42. LP ( 2) S 24 1.89837 -0.23523 97(v),1049(v),96(v),1171(v) 1115(g) 43. LP ( 1) S 25 1.97234 -0.46528 103(v),102(v),105(v),920(v) 101(v),936(v),924(v),100(v) 44. LP ( 2) S 25 1.87552 -0.20508 98(v),105(v),1110(v) 1111(v),102(v),103(v) 106(v),96(g),918(v),101(v) 45. BD ( 1) C 1- C 3 1.97507 -0.57828 100(g),264(v),102(v),368(v) 84(v),87(v),95(v),96(v) 686(v),628(v),106(v),103(g) 46. BD ( 1) C 1- C 6 1.96222 -0.56541 86(v),82(v),316(v),103(g) 212(v),95(v),211(v),629(v) 772(v),315(v),96(v) 47. BD ( 1) C 1- H 11 1.98054 -0.48973 81(v),85(v),211(v),367(v) 100(g),103(g),372(v) 48. BD ( 1) C 2- C 7 1.96344 -0.55664 103(r),94(v),472(v),91(v) 576(v),95(r),96(r),575(v) 657(v),803(v),595(v),92(v) 49. BD ( 1) C 2- C 10 1.96958 -0.57730 103(r),93(v),524(v),89(v) 101(r),105(r),420(v),419(v) 96(r),102(v),656(v),888(v) 523(v),919(r) 50. BD ( 1) C 2- H 12 1.97890 -0.49905 92(v),103(r),88(v),575(v) 104(g),419(v),581(v),425(v) 51. BD ( 1) C 3- C 4 1.96468 -0.56858 105(g),102(v),86(v),77(v) 108(v),106(v),316(v),96(v) 315(v),687(v),714(v),107(v) 52. BD ( 1) C 3- H 13 1.98137 -0.49341 76(v),102(r),83(v),107(v) 263(v),112(v) 53. BD ( 1) C 4- C 5 1.96736 -0.56135 82(v),95(v),212(v),367(v) 87(v),918(v),101(g),743(v) 105(g),714(v),368(v),103(v) 76(v) 54. BD ( 1) C 4- H 14 1.97995 -0.50133 95(v),85(v),75(v),211(v) 105(g),315(v),102(v),217(v) 320(v) 55. BD ( 1) C 5- C 6 1.96762 -0.56131 101(g),100(g),77(v),84(v) 108(v),263(v),103(g),918(v) 264(v),96(v),102(v),107(v) 743(v),772(v),744(v) 56. BD ( 1) C 5- H 15 1.98101 -0.51144 96(v),95(v),81(v),76(v) 263(v),101(g),367(v),368(v) 373(v),269(v) 57. BD ( 1) C 6- H 16 1.98027 -0.50117 83(v),75(v),96(v),107(v) 315(v),100(g),113(v),103(g) 320(v) 58. BD ( 1) C 7- C 8 1.96123 -0.55550 102(g),93(v),104(g),160(v) 80(v),101(v),524(v),95(v) 96(v),105(v),103(v),831(v) 106(g),523(v),802(v),92(v) 803(v) 59. BD ( 1) C 7- H 17 1.97761 -0.48451 105(r),101(r),79(v),90(v) 159(v),471(v),103(r),165(v) 104(g),477(v) 60. BD ( 1) C 8- C 9 1.97149 -0.58155 420(v),576(v),94(v),89(v) 102(g),95(v),830(v),96(v) 859(v) 61. BD ( 1) C 8- H 18 1.98069 -0.49656 92(v),78(v),102(g),523(v) 419(v),101(v),529(v),425(v) 62. BD ( 1) C 9- C 10 1.97315 -0.57702 106(g),91(v),471(v),80(v) 159(v),105(v),104(g),101(v) 103(v),472(v),859(v),96(v) 160(v),888(v),95(v),102(g) 88(v) 63. BD ( 1) C 9- H 19 1.98046 -0.51417 96(v),88(v),79(v),575(v) 472(v),471(v),106(g),476(v) 64. BD ( 1) C 10- H 20 1.98017 -0.51343 95(r),78(v),90(v),523(v) 159(v),160(v),103(r),165(v) 65. BD ( 1)Mo 21- S 22 1.95790 -0.34871 96(g),921(g),103(g),925(g) 102(g),213(r),924(g),105(g) 421(r),934(g),917(g),369(v) 101(g),109(v),95(g),936(g) 920(g),1176(v),1178(v) 161(r),473(v),106(g),993(g) 952(g),1177(v),932(g) 1181(v),104(r),427(r) 1179(v),929(g),966(g) 1172(v),954(g),422(r) 1051(v),525(v),968(g) 107(v),270(v),994(g),115(v) 66. BD ( 1)Mo 21- S 25 1.95623 -0.34820 95(g),102(g),921(g),103(g) 925(g),109(v),105(g),421(r) 934(g),924(g),994(v),917(g) 96(g),993(v),265(v),161(r) 936(g),918(g),213(r) 1176(g),473(v),932(g) 100(g),952(g),577(r),954(g) 1112(v),966(g),929(g) 427(r),998(v),220(r),989(v) 1181(g),968(g),1177(g) 270(v),926(g),211(r) 67. BD ( 1) S 22- S 23 1.98182 -0.46593 923(v),920(v),1112(v) 926(v),1113(v) 68. BD ( 1) S 23- S 24 1.98723 -0.49559 1172(v),990(v),989(v) 992(v),1173(v),1175(v) 97(g),99(g) 69. BD ( 1) S 24- S 25 1.98111 -0.47490 917(v),102(v),922(v) 1052(v) 70. 3C ( 1) C 1- C 6-Mo 21 1.71179 -0.27272 95(g),105(g),102(g),103(g) 96(g),925(g),921(g),917(g) 924(g),934(g),936(g),994(v) 421(r),993(v),106(g),109(g) 473(v),213(v),1176(v) 932(g),369(g),929(g),101(g) 918(g),265(v),1177(v) 952(g),966(g),1178(v) 954(g),968(g),161(r),427(r) 270(v),1181(v),998(v) 220(v),577(r),319(v) 1001(v),525(v),1002(v) 956(g),85(g),926(g),927(g) 922(g),964(g),989(v),955(g) 965(g),1179(v),115(g) 923(g),328(v),75(g),478(v) 960(g),1183(v),422(r) 374(g),972(g),999(v),475(v) 976(g),216(v),1172(v) 107(g),961(g),981(g),928(g) 920(g),940(g),973(g),212(v) 996(v),317(v),419(r),982(g) 1171(v),988(v),322(v) 169(r),990(v),222(v),370(g) 433(r),533(v),582(r),974(g) 166(r),986(g),948(g),481(v) 267(v),430(r),969(g),958(g) 579(r),959(g),108(g),86(v) 979(g),344(v),87(g),1173(v) 376(g),77(g),1008(v) 1185(v),1000(v),957(g) 480(v),630(v),215(v),535(v) 1007(v),97(v),775(v),266(v) 947(g),381(g),274(v),530(v) 943(g),120(g),1184(v) 1191(v),1192(v),482(v) 937(g),584(r),1180(v) 591(r),174(r),104(r),315(v) 1182(v),163(r),962(g) 420(r),175(r),527(v),945(g) 585(r),211(v),117(g) 1004(v),82(v),436(r),967(g) 368(g),159(r),160(r),524(v) 278(v),539(v),180(r),378(g) 263(v),479(v),1005(v) 991(v),587(r),438(r),272(v) 345(v),226(v),949(g),324(v) 951(g),538(v) 71. 3C ( 1) C 2- C 7- C 10 1.67115 -0.32926 103(r),921(r),924(r),925(r) 917(r),95(r),918(r),102(v) 936(r),109(r),934(r),421(g) 927(r),929(r),932(r),993(r) 213(r),427(g),1176(r) 994(r),88(g),161(g),106(v) 966(r),954(r),473(v),92(g) 1177(r),952(r),1181(r) 926(r),369(r),968(r),270(r) 579(g),965(r),956(r),80(g) 920(r),169(g),265(r),105(r) 101(r),1178(r),525(v) 955(r),163(g),1001(r) 115(r),220(r),960(r),96(r) 964(r),998(r),996(r),577(g) 166(g),374(r),928(r) 1002(r),1179(r),78(g) 478(v),582(g),982(r),422(g) 957(r),107(r),1183(r) 471(v) 72. 3C ( 1) C 4- C 5-Mo 21 1.79987 -0.35339 100(g),103(g),925(g),96(g) 102(g),917(g),921(g),924(g) 85(g),109(v),81(g),161(r) 371(v),106(g),105(g),934(g) 1176(v),920(g),936(g) 993(v),932(g),918(g),84(g) 213(v),87(v),86(g),954(g) 421(r),968(g),215(v),966(g) 427(r),929(g),265(g),473(v) 101(g),82(v),222(v),994(v) 1181(v),214(v),1177(v) 1178(v),220(v),525(v) 745(v),270(g),952(g) 1171(v),956(g),1179(v) 73. 3C ( 1) C 8- C 9-Mo 21 1.78420 -0.31927 103(g),95(g),104(v),925(g) 921(g),917(g),101(g),102(g) 924(g),105(g),934(g),936(g) 421(v),994(v),993(v),369(v) 109(v),161(r),932(g) 1176(v),473(g),929(g),96(g) 966(g),968(g),106(g),427(v) 265(v),952(g),954(g) 1178(v),1177(v),88(g) 213(r),918(g),422(v),270(v) 92(g),579(v),998(v),922(g) 1181(v),956(g),1001(v) 1002(v),220(r),965(g) 115(v),525(g),955(g),927(g) 960(g),989(v),926(g),317(v) 91(g),964(g),419(v),923(g) 423(v),374(v),988(v),996(v) 433(v),107(v),89(v),577(v) 328(v),928(g),430(v),322(v) 1183(v),267(v),961(g) 478(g),972(g),982(g),999(v) 166(r),948(g),169(r),319(v) 1171(v),371(v),940(g) 973(g),582(v),958(g),93(g) 1179(v),959(g),990(v) 974(g),981(g),370(v),118(v) 481(g),976(g),94(v),538(g) 861(v),211(r),986(g),97(v) 1185(v),222(r),832(v) 587(v),1184(v),120(v) 586(v),533(g),957(g),979(g) 376(v),1000(v),1008(v) 945(g),969(g),588(v) 74. 3Cn( 1) C 2- C 7- C 10 1.03795 -0.13706 106(v),105(r),101(r),95(r) 102(v),78(g),88(g),79(g) 103(r),162(g),92(g),427(g) 422(g),163(g),96(r),419(g) 91(v),578(g),473(v),104(g) 917(r),423(g),921(r),421(g) 174(g),93(v),475(v),526(v) 100(r),523(v),804(v),172(g) 929(r),807(v),925(r),447(g) 192(g),420(g),532(v),167(g) ------ non-Lewis ---------------------------------- 75. BD*( 1) C 1- C 3 0.01883 0.46271 76. BD*( 1) C 1- C 6 0.02188 0.43817 77. BD*( 1) C 1- H 11 0.01504 0.40876 78. BD*( 1) C 2- C 7 0.02437 0.42761 79. BD*( 1) C 2- C 10 0.02202 0.44827 80. BD*( 1) C 2- H 12 0.01567 0.39800 81. BD*( 1) C 3- C 4 0.02142 0.44288 82. BD*( 1) C 3- H 13 0.01545 0.40885 83. BD*( 1) C 4- C 5 0.02418 0.42173 84. BD*( 1) C 4- H 14 0.01479 0.38475 85. BD*( 1) C 5- C 6 0.02481 0.42211 86. BD*( 1) C 5- H 15 0.01523 0.37206 87. BD*( 1) C 6- H 16 0.01493 0.38763 88. BD*( 1) C 7- C 8 0.02298 0.42487 89. BD*( 1) C 7- H 17 0.01734 0.40196 90. BD*( 1) C 8- C 9 0.02135 0.45725 91. BD*( 1) C 8- H 18 0.01490 0.40525 92. BD*( 1) C 9- C 10 0.02321 0.42228 93. BD*( 1) C 9- H 19 0.01498 0.37180 94. BD*( 1) C 10- H 20 0.01481 0.36993 95. BD*( 1)Mo 21- S 22 0.39698 0.07453 96. BD*( 1)Mo 21- S 25 0.37955 0.06674 97. BD*( 1) S 22- S 23 0.09977 0.07306 98. BD*( 1) S 23- S 24 0.08108 0.07862 99. BD*( 1) S 24- S 25 0.08941 0.07909 100. 3Cn( 1) C 1- C 6-Mo 21 0.45110 -0.00867 101. 3Cn( 1) C 4- C 5-Mo 21 0.54131 0.02276 102. 3Cn( 1) C 8- C 9-Mo 21 0.46632 0.22142 103. 3C*( 1) C 1- C 6-Mo 21 0.33881 0.62382 104. 3C*( 1) C 2- C 7- C 10 0.17781 0.05117 105. 3C*( 1) C 4- C 5-Mo 21 0.47430 0.01673 106. 3C*( 1) C 8- C 9-Mo 21 0.35367 0.04461 107. RY ( 1) C 1 0.00389 1.83524 108. RY ( 2) C 1 0.00351 1.45852 109. RY ( 3) C 1 0.00233 2.38264 110. RY ( 4) C 1 0.00110 2.78159 111. RY ( 5) C 1 0.00087 1.54360 112. RY ( 6) C 1 0.00046 3.19027 113. RY ( 7) C 1 0.00044 4.28227 114. RY ( 8) C 1 0.00034 2.92727 115. RY ( 9) C 1 0.00017 1.70048 116. RY (10) C 1 0.00013 1.84120 117. RY (11) C 1 0.00011 3.16733 118. RY (12) C 1 0.00006 2.98406 119. RY (13) C 1 0.00005 4.35461 120. RY (14) C 1 0.00004 2.72298 121. RY (15) C 1 0.00003 3.57537 122. RY (16) C 1 0.00002 3.87235 123. RY (17) C 1 0.00002 4.62546 124. RY (18) C 1 0.00001 4.36024 125. RY (19) C 1 0.00001 5.10579 126. RY (20) C 1 0.00001 4.77142 127. RY (21) C 1 0.00001 5.20756 128. RY (22) C 1 0.00000 6.08642 129. RY (23) C 1 0.00000 8.04265 130. RY (24) C 1 0.00000 6.15864 131. RY (25) C 1 0.00000 4.82076 132. RY (26) C 1 0.00000 4.96679 133. RY (27) C 1 0.00000 5.96388 134. RY (28) C 1 0.00000 6.14409 135. RY (29) C 1 0.00000 5.26781 136. RY (30) C 1 0.00000 4.56750 137. RY (31) C 1 0.00000 5.63816 138. RY (32) C 1 0.00000 4.43959 139. RY (33) C 1 0.00000 5.47864 140. RY (34) C 1 0.00000 4.84186 141. RY (35) C 1 0.00000 108.38638 142. RY (36) C 1 0.00000 9.96707 143. RY (37) C 1 0.00000 6.33680 144. RY (38) C 1 0.00000 12.20666 145. RY (39) C 1 0.00000 7.23806 146. RY (40) C 1 0.00000 8.13063 147. RY (41) C 1 0.00000 7.56945 148. RY (42) C 1 0.00000 8.73838 149. RY (43) C 1 0.00000 9.73751 150. RY (44) C 1 0.00000 12.43118 151. RY (45) C 1 0.00000 11.41629 152. RY (46) C 1 0.00000 6.59180 153. RY (47) C 1 0.00000 6.45427 154. RY (48) C 1 0.00000 7.88394 155. RY (49) C 1 0.00000 7.41628 156. RY (50) C 1 0.00000 6.06241 157. RY (51) C 1 0.00000 6.87582 158. RY (52) C 1 0.00000 6.41034 159. RY ( 1) C 2 0.00375 1.71840 160. RY ( 2) C 2 0.00326 1.63047 161. RY ( 3) C 2 0.00139 2.15916 162. RY ( 4) C 2 0.00080 2.72321 163. RY ( 5) C 2 0.00072 2.18887 164. RY ( 6) C 2 0.00049 3.05365 165. RY ( 7) C 2 0.00047 4.76773 166. RY ( 8) C 2 0.00021 2.56322 167. RY ( 9) C 2 0.00016 2.92187 168. RY (10) C 2 0.00013 2.06462 169. RY (11) C 2 0.00006 2.45897 170. RY (12) C 2 0.00005 3.25958 171. RY (13) C 2 0.00004 4.07241 172. RY (14) C 2 0.00004 3.54489 173. RY (15) C 2 0.00003 4.38562 174. RY (16) C 2 0.00002 3.12250 175. RY (17) C 2 0.00002 4.69839 176. RY (18) C 2 0.00002 3.86161 177. RY (19) C 2 0.00001 5.03957 178. RY (20) C 2 0.00001 5.07659 179. RY (21) C 2 0.00001 5.56410 180. RY (22) C 2 0.00001 4.13010 181. RY (23) C 2 0.00000 6.33909 182. RY (24) C 2 0.00000 6.14478 183. RY (25) C 2 0.00000 6.04365 184. RY (26) C 2 0.00000 5.66669 185. RY (27) C 2 0.00000 5.32185 186. RY (28) C 2 0.00000 4.72836 187. RY (29) C 2 0.00000 5.62559 188. RY (30) C 2 0.00000 5.08003 189. RY (31) C 2 0.00000 5.17300 190. RY (32) C 2 0.00000 5.48594 191. RY (33) C 2 0.00000 5.35107 192. RY (34) C 2 0.00000 5.72016 193. RY (35) C 2 0.00000 56.95062 194. RY (36) C 2 0.00000 38.31403 195. RY (37) C 2 0.00000 21.08884 196. RY (38) C 2 0.00000 7.08198 197. RY (39) C 2 0.00000 8.92046 198. RY (40) C 2 0.00000 12.79209 199. RY (41) C 2 0.00000 9.64187 200. RY (42) C 2 0.00000 14.64608 201. RY (43) C 2 0.00000 10.82856 202. RY (44) C 2 0.00000 7.16614 203. RY (45) C 2 0.00000 7.57788 204. RY (46) C 2 0.00000 8.19935 205. RY (47) C 2 0.00000 7.19391 206. RY (48) C 2 0.00000 6.80773 207. RY (49) C 2 0.00000 7.71910 208. RY (50) C 2 0.00000 7.87310 209. RY (51) C 2 0.00000 8.96212 210. RY (52) C 2 0.00000 8.20683 211. RY ( 1) C 3 0.00394 1.67728 212. RY ( 2) C 3 0.00371 1.49065 213. RY ( 3) C 3 0.00217 2.20933 214. RY ( 4) C 3 0.00095 2.36021 215. RY ( 5) C 3 0.00080 2.17923 216. RY ( 6) C 3 0.00054 2.64150 217. RY ( 7) C 3 0.00046 4.55669 218. RY ( 8) C 3 0.00032 2.87091 219. RY ( 9) C 3 0.00018 2.28723 220. RY (10) C 3 0.00011 2.69415 221. RY (11) C 3 0.00008 3.56990 222. RY (12) C 3 0.00006 2.93985 223. RY (13) C 3 0.00006 4.61837 224. RY (14) C 3 0.00004 2.74413 225. RY (15) C 3 0.00003 3.09237 226. RY (16) C 3 0.00002 5.21369 227. RY (17) C 3 0.00002 3.75748 228. RY (18) C 3 0.00001 4.21162 229. RY (19) C 3 0.00001 4.10080 230. RY (20) C 3 0.00001 4.38791 231. RY (21) C 3 0.00001 5.86635 232. RY (22) C 3 0.00000 4.57580 233. RY (23) C 3 0.00001 4.65613 234. RY (24) C 3 0.00000 6.07435 235. RY (25) C 3 0.00000 6.08151 236. RY (26) C 3 0.00000 5.95318 237. RY (27) C 3 0.00000 5.27654 238. RY (28) C 3 0.00000 5.84419 239. RY (29) C 3 0.00000 5.98008 240. RY (30) C 3 0.00000 5.22201 241. RY (31) C 3 0.00000 5.92007 242. RY (32) C 3 0.00000 4.57407 243. RY (33) C 3 0.00000 4.19935 244. RY (34) C 3 0.00000 78.45515 245. RY (35) C 3 0.00000 32.90016 246. RY (36) C 3 0.00000 23.72124 247. RY (37) C 3 0.00000 7.86467 248. RY (38) C 3 0.00000 8.87606 249. RY (39) C 3 0.00000 9.61595 250. RY (40) C 3 0.00000 6.91532 251. RY (41) C 3 0.00000 7.48678 252. RY (42) C 3 0.00000 7.02183 253. RY (43) C 3 0.00000 6.65380 254. RY (44) C 3 0.00000 9.11396 255. RY (45) C 3 0.00000 6.61300 256. RY (46) C 3 0.00000 7.52738 257. RY (47) C 3 0.00000 6.35802 258. RY (48) C 3 0.00000 8.98429 259. RY (49) C 3 0.00000 6.69164 260. RY (50) C 3 0.00000 7.01459 261. RY (51) C 3 0.00000 6.50127 262. RY (52) C 3 0.00000 8.90315 263. RY ( 1) C 4 0.00373 1.65813 264. RY ( 2) C 4 0.00321 1.51028 265. RY ( 3) C 4 0.00229 2.10644 266. RY ( 4) C 4 0.00097 2.46246 267. RY ( 5) C 4 0.00081 2.45141 268. RY ( 6) C 4 0.00046 3.30469 269. RY ( 7) C 4 0.00040 4.65104 270. RY ( 8) C 4 0.00020 2.59166 271. RY ( 9) C 4 0.00017 2.21531 272. RY (10) C 4 0.00009 3.85351 273. RY (11) C 4 0.00007 2.91202 274. RY (12) C 4 0.00005 3.27054 275. RY (13) C 4 0.00004 2.76752 276. RY (14) C 4 0.00003 3.62902 277. RY (15) C 4 0.00003 3.31924 278. RY (16) C 4 0.00002 4.26455 279. RY (17) C 4 0.00001 4.57035 280. RY (18) C 4 0.00001 4.80488 281. RY (19) C 4 0.00001 3.60948 282. RY (20) C 4 0.00001 3.91739 283. RY (21) C 4 0.00001 5.10204 284. RY (22) C 4 0.00000 7.14653 285. RY (23) C 4 0.00000 6.94422 286. RY (24) C 4 0.00000 8.53931 287. RY (25) C 4 0.00000 6.57292 288. RY (26) C 4 0.00000 5.60495 289. RY (27) C 4 0.00000 6.31454 290. RY (28) C 4 0.00000 5.33545 291. RY (29) C 4 0.00000 6.02677 292. RY (30) C 4 0.00000 6.00336 293. RY (31) C 4 0.00000 4.68390 294. RY (32) C 4 0.00000 3.84376 295. RY (33) C 4 0.00000 4.72049 296. RY (34) C 4 0.00000 6.36576 297. RY (35) C 4 0.00000 5.43332 298. RY (36) C 4 0.00000 63.78352 299. RY (37) C 4 0.00000 43.60917 300. RY (38) C 4 0.00000 23.95926 301. RY (39) C 4 0.00000 10.94761 302. RY (40) C 4 0.00000 9.60494 303. RY (41) C 4 0.00000 6.87794 304. RY (42) C 4 0.00000 8.65789 305. RY (43) C 4 0.00000 8.77935 306. 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RY ( 8) C 7 0.00033 2.88077 427. RY ( 9) C 7 0.00023 2.62412 428. RY (10) C 7 0.00016 2.59853 429. RY (11) C 7 0.00011 3.02354 430. RY (12) C 7 0.00010 3.04655 431. RY (13) C 7 0.00007 4.57232 432. RY (14) C 7 0.00005 3.22655 433. RY (15) C 7 0.00003 3.78402 434. RY (16) C 7 0.00002 3.22488 435. RY (17) C 7 0.00002 3.81238 436. RY (18) C 7 0.00001 4.72643 437. RY (19) C 7 0.00001 4.28805 438. RY (20) C 7 0.00001 4.41623 439. RY (21) C 7 0.00001 5.55848 440. RY (22) C 7 0.00000 6.25056 441. RY (23) C 7 0.00000 4.26274 442. RY (24) C 7 0.00001 4.32610 443. RY (25) C 7 0.00000 6.28555 444. RY (26) C 7 0.00000 6.92485 445. RY (27) C 7 0.00000 8.25028 446. RY (28) C 7 0.00000 5.97423 447. RY (29) C 7 0.00000 5.85784 448. RY (30) C 7 0.00000 6.38356 449. RY (31) C 7 0.00000 4.80892 450. RY (32) C 7 0.00000 4.53705 451. RY (33) C 7 0.00000 5.38453 452. RY (34) C 7 0.00000 36.28921 453. RY (35) C 7 0.00000 30.30409 454. RY (36) C 7 0.00000 31.33077 455. RY (37) C 7 0.00000 22.38663 456. RY (38) C 7 0.00000 27.70194 457. RY (39) C 7 0.00000 6.40636 458. RY (40) C 7 0.00000 7.29183 459. RY (41) C 7 0.00000 7.12601 460. RY (42) C 7 0.00000 12.36152 461. RY (43) C 7 0.00000 6.51238 462. RY (44) C 7 0.00000 7.49034 463. RY (45) C 7 0.00000 7.32826 464. RY (46) C 7 0.00000 6.55966 465. RY (47) C 7 0.00000 10.13212 466. RY (48) C 7 0.00000 8.98493 467. RY (49) C 7 0.00000 6.56261 468. RY (50) C 7 0.00000 7.56302 469. RY (51) C 7 0.00000 6.62478 470. RY (52) C 7 0.00000 5.29200 471. RY ( 1) C 8 0.00374 1.69118 472. RY ( 2) C 8 0.00315 1.73465 473. RY ( 3) C 8 0.00169 1.94673 474. RY ( 4) C 8 0.00088 2.91387 475. RY ( 5) C 8 0.00066 2.13560 476. RY ( 6) C 8 0.00047 4.05755 477. RY ( 7) C 8 0.00045 3.93852 478. RY ( 8) C 8 0.00019 2.30627 479. RY ( 9) C 8 0.00017 2.32034 480. RY (10) C 8 0.00015 2.61856 481. RY (11) C 8 0.00006 2.75329 482. RY (12) C 8 0.00005 3.70286 483. RY (13) C 8 0.00004 3.61009 484. RY (14) C 8 0.00003 4.67691 485. RY (15) C 8 0.00002 3.48385 486. RY (16) C 8 0.00002 3.35889 487. RY (17) C 8 0.00001 3.88599 488. RY (18) C 8 0.00001 4.64447 489. RY (19) C 8 0.00001 3.98580 490. RY (20) C 8 0.00001 4.78982 491. RY (21) C 8 0.00001 5.87632 492. RY (22) C 8 0.00001 4.83384 493. RY (23) C 8 0.00000 4.68521 494. RY (24) C 8 0.00000 5.72216 495. RY (25) C 8 0.00000 6.13319 496. RY (26) C 8 0.00000 6.74326 497. RY (27) C 8 0.00000 6.05411 498. RY (28) C 8 0.00000 6.20111 499. RY (29) C 8 0.00000 5.04498 500. RY (30) C 8 0.00000 5.92021 501. RY (31) C 8 0.00000 5.01907 502. RY (32) C 8 0.00000 4.67509 503. RY (33) C 8 0.00000 6.18858 504. RY (34) C 8 0.00000 4.88698 505. RY (35) C 8 0.00000 80.16944 506. RY (36) C 8 0.00000 17.29237 507. RY (37) C 8 0.00000 8.31894 508. RY (38) C 8 0.00000 10.80293 509. RY (39) C 8 0.00000 7.36292 510. RY (40) C 8 0.00000 27.68671 511. RY (41) C 8 0.00000 7.07640 512. RY (42) C 8 0.00000 9.10441 513. RY (43) C 8 0.00000 6.95905 514. RY (44) C 8 0.00000 9.17954 515. RY (45) C 8 0.00000 10.41809 516. RY (46) C 8 0.00000 10.00853 517. RY (47) C 8 0.00000 6.79438 518. RY (48) C 8 0.00000 7.02236 519. RY (49) C 8 0.00000 7.23221 520. RY (50) C 8 0.00000 9.20315 521. RY (51) C 8 0.00000 7.33261 522. RY (52) C 8 0.00000 7.00759 523. RY ( 1) C 9 0.00382 1.59322 524. RY ( 2) C 9 0.00305 1.60531 525. RY ( 3) C 9 0.00238 1.99521 526. RY ( 4) C 9 0.00090 2.80091 527. RY ( 5) C 9 0.00074 2.08319 528. RY ( 6) C 9 0.00058 2.51035 529. RY ( 7) C 9 0.00042 4.66840 530. RY ( 8) C 9 0.00013 2.27390 531. RY ( 9) C 9 0.00011 3.77849 532. RY (10) C 9 0.00007 4.08518 533. RY (11) C 9 0.00007 3.02637 534. RY (12) C 9 0.00006 3.54739 535. RY (13) C 9 0.00004 3.34939 536. RY (14) C 9 0.00002 2.79485 537. RY (15) C 9 0.00002 3.99118 538. RY (16) C 9 0.00002 2.93760 539. RY (17) C 9 0.00001 4.22152 540. RY (18) C 9 0.00001 5.61810 541. RY (19) C 9 0.00001 2.96885 542. RY (20) C 9 0.00001 5.77879 543. RY (21) C 9 0.00000 6.40907 544. RY (22) C 9 0.00000 5.51839 545. RY (23) C 9 0.00000 5.56410 546. RY (24) C 9 0.00000 6.62178 547. RY (25) C 9 0.00000 6.11305 548. RY (26) C 9 0.00000 7.24642 549. RY (27) C 9 0.00000 6.35197 550. RY (28) C 9 0.00000 5.67713 551. RY (29) C 9 0.00000 5.43264 552. RY (30) C 9 0.00000 5.17683 553. RY (31) C 9 0.00000 4.17593 554. RY (32) C 9 0.00000 4.79803 555. RY (33) C 9 0.00000 4.85817 556. RY (34) C 9 0.00001 4.16379 557. RY (35) C 9 0.00000 113.01893 558. RY (36) C 9 0.00000 6.90827 559. RY (37) C 9 0.00000 12.64812 560. RY (38) C 9 0.00000 7.73897 561. RY (39) C 9 0.00000 6.79208 562. RY (40) C 9 0.00000 6.32816 563. RY (41) C 9 0.00000 6.80084 564. RY (42) C 9 0.00000 6.76379 565. RY (43) C 9 0.00000 7.34490 566. RY (44) C 9 0.00000 8.69866 567. RY (45) C 9 0.00000 8.94463 568. RY (46) C 9 0.00000 7.62695 569. RY (47) C 9 0.00000 6.62307 570. RY (48) C 9 0.00000 10.13036 571. RY (49) C 9 0.00000 7.16507 572. RY (50) C 9 0.00000 6.46859 573. RY (51) C 9 0.00000 6.25787 574. RY (52) C 9 0.00000 10.01723 575. RY ( 1) C 10 0.00391 1.65721 576. RY ( 2) C 10 0.00310 1.56153 577. RY ( 3) C 10 0.00218 1.87518 578. RY ( 4) C 10 0.00109 2.91997 579. RY ( 5) C 10 0.00082 2.00648 580. RY ( 6) C 10 0.00059 2.55911 581. RY ( 7) C 10 0.00042 4.66468 582. RY ( 8) C 10 0.00015 2.77960 583. RY ( 9) C 10 0.00012 3.56451 584. RY (10) C 10 0.00008 3.00550 585. RY (11) C 10 0.00006 3.62358 586. RY (12) C 10 0.00005 3.73925 587. RY (13) C 10 0.00004 3.24567 588. RY (14) C 10 0.00003 2.89079 589. RY (15) C 10 0.00002 3.29688 590. RY (16) C 10 0.00002 3.86263 591. RY (17) C 10 0.00002 3.49794 592. RY (18) C 10 0.00001 4.85494 593. RY (19) C 10 0.00001 4.66636 594. RY (20) C 10 0.00001 5.75195 595. RY (21) C 10 0.00001 5.25496 596. RY (22) C 10 0.00001 4.44834 597. RY (23) C 10 0.00000 4.16896 598. RY (24) C 10 0.00000 4.45082 599. RY (25) C 10 0.00000 6.79468 600. RY (26) C 10 0.00000 5.80270 601. RY (27) C 10 0.00000 7.25568 602. RY (28) C 10 0.00000 6.26047 603. RY (29) C 10 0.00000 7.03651 604. RY (30) C 10 0.00000 6.54332 605. RY (31) C 10 0.00000 6.24946 606. RY (32) C 10 0.00000 5.73950 607. RY (33) C 10 0.00000 4.81091 608. RY (34) C 10 0.00000 5.38933 609. RY (35) C 10 0.00000 104.58004 610. RY (36) C 10 0.00000 6.73763 611. RY (37) C 10 0.00000 15.56483 612. RY (38) C 10 0.00000 6.89453 613. RY (39) C 10 0.00000 8.94761 614. RY (40) C 10 0.00000 6.46942 615. RY (41) C 10 0.00000 6.94856 616. RY (42) C 10 0.00000 7.18507 617. RY (43) C 10 0.00000 7.17586 618. RY (44) C 10 0.00000 7.02045 619. RY (45) C 10 0.00000 7.45570 620. RY (46) C 10 0.00000 18.31513 621. RY (47) C 10 0.00000 6.73615 622. RY (48) C 10 0.00000 6.56593 623. RY (49) C 10 0.00000 6.02556 624. RY (50) C 10 0.00000 8.33348 625. RY (51) C 10 0.00000 6.72737 626. RY (52) C 10 0.00000 6.44056 627. RY ( 1) H 11 0.00105 1.38245 628. RY ( 2) H 11 0.00050 2.80591 629. RY ( 3) H 11 0.00041 2.78236 630. RY ( 4) H 11 0.00022 2.94981 631. RY ( 5) H 11 0.00010 3.54215 632. RY ( 6) H 11 0.00006 4.62857 633. RY ( 7) H 11 0.00003 6.26334 634. 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RY ( 8) H 12 0.00002 5.05155 664. RY ( 9) H 12 0.00001 4.92793 665. RY (10) H 12 0.00001 6.33851 666. RY (11) H 12 0.00001 3.33385 667. RY (12) H 12 0.00000 8.09173 668. RY (13) H 12 0.00000 7.03197 669. RY (14) H 12 0.00000 7.21588 670. RY (15) H 12 0.00000 7.65762 671. RY (16) H 12 0.00000 7.54558 672. RY (17) H 12 0.00000 7.09508 673. RY (18) H 12 0.00000 6.98012 674. RY (19) H 12 0.00000 6.76109 675. RY (20) H 12 0.00000 5.07194 676. RY (21) H 12 0.00000 9.15222 677. RY (22) H 12 0.00000 8.92811 678. RY (23) H 12 0.00000 8.96164 679. RY (24) H 12 0.00000 7.88287 680. RY (25) H 12 0.00000 8.31277 681. RY (26) H 12 0.00000 8.04802 682. RY (27) H 12 0.00000 7.65382 683. RY (28) H 12 0.00000 7.32628 684. RY (29) H 12 0.00000 7.58705 685. RY ( 1) H 13 0.00134 1.18248 686. RY ( 2) H 13 0.00051 2.78520 687. RY ( 3) H 13 0.00043 3.11212 688. RY ( 4) H 13 0.00021 2.88264 689. RY ( 5) H 13 0.00010 3.87271 690. RY ( 6) H 13 0.00006 4.38257 691. RY ( 7) H 13 0.00003 5.27005 692. RY ( 8) H 13 0.00002 4.62324 693. RY ( 9) H 13 0.00001 4.30235 694. RY (10) H 13 0.00001 6.56346 695. RY (11) H 13 0.00001 5.54942 696. RY (12) H 13 0.00001 4.65959 697. RY (13) H 13 0.00000 7.42192 698. RY (14) H 13 0.00000 7.22978 699. RY (15) H 13 0.00000 7.38826 700. RY (16) H 13 0.00000 7.61591 701. RY (17) H 13 0.00000 6.98851 702. RY (18) H 13 0.00000 8.42346 703. RY (19) H 13 0.00000 6.61950 704. RY (20) H 13 0.00000 5.53505 705. RY (21) H 13 0.00000 9.06105 706. RY (22) H 13 0.00000 8.06289 707. RY (23) H 13 0.00000 8.54461 708. RY (24) H 13 0.00000 8.75781 709. RY (25) H 13 0.00000 9.28217 710. RY (26) H 13 0.00000 8.26109 711. RY (27) H 13 0.00000 6.80155 712. RY (28) H 13 0.00000 7.56223 713. RY (29) H 13 0.00000 7.62190 714. RY ( 1) H 14 0.00051 2.86195 715. RY ( 2) H 14 0.00039 3.09058 716. RY ( 3) H 14 0.00033 1.83944 717. RY ( 4) H 14 0.00019 2.93616 718. RY ( 5) H 14 0.00016 1.67491 719. RY ( 6) H 14 0.00004 6.72950 720. RY ( 7) H 14 0.00003 3.49161 721. RY ( 8) H 14 0.00001 5.19809 722. RY ( 9) H 14 0.00001 4.97749 723. RY (10) H 14 0.00001 4.55628 724. RY (11) H 14 0.00000 5.24473 725. RY (12) H 14 0.00000 4.77816 726. RY (13) H 14 0.00000 6.58562 727. RY (14) H 14 0.00000 6.95165 728. RY (15) H 14 0.00000 7.97179 729. RY (16) H 14 0.00000 7.34876 730. RY (17) H 14 0.00000 7.27949 731. RY (18) H 14 0.00000 6.24886 732. RY (19) H 14 0.00000 5.80360 733. RY (20) H 14 0.00000 10.09328 734. RY (21) H 14 0.00000 6.67703 735. RY (22) H 14 0.00000 9.00939 736. RY (23) H 14 0.00000 9.21868 737. RY (24) H 14 0.00000 8.17901 738. RY (25) H 14 0.00000 8.49051 739. RY (26) H 14 0.00000 9.07328 740. RY (27) H 14 0.00000 8.05113 741. RY (28) H 14 0.00000 6.92030 742. RY (29) H 14 0.00000 8.40307 743. RY ( 1) H 15 0.00056 2.98413 744. RY ( 2) H 15 0.00050 3.02108 745. RY ( 3) H 15 0.00035 3.05712 746. RY ( 4) H 15 0.00018 1.35201 747. RY ( 5) H 15 0.00010 2.43105 748. RY ( 6) H 15 0.00004 6.95681 749. RY ( 7) H 15 0.00002 3.01731 750. RY ( 8) H 15 0.00001 6.49514 751. RY ( 9) H 15 0.00001 4.71608 752. RY (10) H 15 0.00001 3.48769 753. RY (11) H 15 0.00000 6.67665 754. RY (12) H 15 0.00001 5.17149 755. RY (13) H 15 0.00000 4.78598 756. RY (14) H 15 0.00000 6.79304 757. RY (15) H 15 0.00000 8.37062 758. RY (16) H 15 0.00000 7.57269 759. RY (17) H 15 0.00000 6.92919 760. RY (18) H 15 0.00000 7.99852 761. RY (19) H 15 0.00000 7.83203 762. RY (20) H 15 0.00000 6.74884 763. RY (21) H 15 0.00000 8.60362 764. RY (22) H 15 0.00000 8.72400 765. RY (23) H 15 0.00000 8.68650 766. RY (24) H 15 0.00000 7.08248 767. RY (25) H 15 0.00000 8.02308 768. RY (26) H 15 0.00000 7.64105 769. RY (27) H 15 0.00000 7.31254 770. RY (28) H 15 0.00000 8.96518 771. RY (29) H 15 0.00000 7.93849 772. RY ( 1) H 16 0.00050 2.88071 773. RY ( 2) H 16 0.00040 3.20814 774. RY ( 3) H 16 0.00028 1.91739 775. RY ( 4) H 16 0.00020 2.94337 776. RY ( 5) H 16 0.00015 1.47996 777. RY ( 6) H 16 0.00004 6.73094 778. RY ( 7) H 16 0.00002 3.47581 779. RY ( 8) H 16 0.00001 5.28427 780. RY ( 9) H 16 0.00001 5.19482 781. RY (10) H 16 0.00001 4.18989 782. RY (11) H 16 0.00001 5.25175 783. RY (12) H 16 0.00000 5.79993 784. RY (13) H 16 0.00000 7.04374 785. RY (14) H 16 0.00000 7.44584 786. RY (15) H 16 0.00000 7.70021 787. RY (16) H 16 0.00000 7.08890 788. RY (17) H 16 0.00000 7.13842 789. RY (18) H 16 0.00000 7.39159 790. RY (19) H 16 0.00000 5.45324 791. RY (20) H 16 0.00000 8.01072 792. RY (21) H 16 0.00000 9.07598 793. RY (22) H 16 0.00000 8.80111 794. RY (23) H 16 0.00000 8.46619 795. RY (24) H 16 0.00000 8.63524 796. RY (25) H 16 0.00000 8.12885 797. RY (26) H 16 0.00000 7.58538 798. RY (27) H 16 0.00000 8.31516 799. RY (28) H 16 0.00000 8.36040 800. RY (29) H 16 0.00000 6.80634 801. RY ( 1) H 17 0.00207 0.95603 802. RY ( 2) H 17 0.00054 2.85165 803. RY ( 3) H 17 0.00049 2.93552 804. RY ( 4) H 17 0.00032 3.17466 805. RY ( 5) H 17 0.00008 4.64306 806. RY ( 6) H 17 0.00005 3.00835 807. RY ( 7) H 17 0.00004 4.93405 808. RY ( 8) H 17 0.00002 4.91341 809. RY ( 9) H 17 0.00002 4.62810 810. RY (10) H 17 0.00002 5.82871 811. RY (11) H 17 0.00001 4.80097 812. RY (12) H 17 0.00000 5.81415 813. RY (13) H 17 0.00000 8.71637 814. RY (14) H 17 0.00001 5.11357 815. RY (15) H 17 0.00000 7.91818 816. RY (16) H 17 0.00000 7.61720 817. RY (17) H 17 0.00000 6.99733 818. RY (18) H 17 0.00000 8.73865 819. RY (19) H 17 0.00000 5.54430 820. RY (20) H 17 0.00000 8.90470 821. RY (21) H 17 0.00000 8.59201 822. RY (22) H 17 0.00000 7.76661 823. RY (23) H 17 0.00000 7.02460 824. RY (24) H 17 0.00000 9.13735 825. RY (25) H 17 0.00000 8.39248 826. RY (26) H 17 0.00000 7.46674 827. RY (27) H 17 0.00000 7.84081 828. RY (28) H 17 0.00000 8.14891 829. RY (29) H 17 0.00000 7.17346 830. RY ( 1) H 18 0.00063 2.28026 831. RY ( 2) H 18 0.00047 2.88381 832. RY ( 3) H 18 0.00028 2.85518 833. RY ( 4) H 18 0.00020 1.91775 834. RY ( 5) H 18 0.00012 2.36266 835. RY ( 6) H 18 0.00005 4.74458 836. RY ( 7) H 18 0.00003 6.12213 837. RY ( 8) H 18 0.00001 4.98007 838. RY ( 9) H 18 0.00001 5.25967 839. RY (10) H 18 0.00001 5.45285 840. RY (11) H 18 0.00001 4.19220 841. RY (12) H 18 0.00000 7.91616 842. RY (13) H 18 0.00000 7.68868 843. RY (14) H 18 0.00000 7.21250 844. RY (15) H 18 0.00000 7.70856 845. RY (16) H 18 0.00000 7.38714 846. RY (17) H 18 0.00000 7.05696 847. RY (18) H 18 0.00000 7.23551 848. RY (19) H 18 0.00000 6.25836 849. RY (20) H 18 0.00000 5.10297 850. RY (21) H 18 0.00000 9.12075 851. RY (22) H 18 0.00000 8.95992 852. RY (23) H 18 0.00000 8.59059 853. RY (24) H 18 0.00000 8.43222 854. RY (25) H 18 0.00000 8.11237 855. RY (26) H 18 0.00000 8.48131 856. RY (27) H 18 0.00000 7.40840 857. RY (28) H 18 0.00000 7.14382 858. RY (29) H 18 0.00000 7.27100 859. RY ( 1) H 19 0.00051 2.93005 860. RY ( 2) H 19 0.00042 3.11265 861. RY ( 3) H 19 0.00025 2.78623 862. RY ( 4) H 19 0.00016 1.90294 863. RY ( 5) H 19 0.00014 1.93701 864. RY ( 6) H 19 0.00003 5.57909 865. RY ( 7) H 19 0.00002 3.91778 866. RY ( 8) H 19 0.00001 6.23556 867. RY ( 9) H 19 0.00001 4.57341 868. RY (10) H 19 0.00001 4.63284 869. RY (11) H 19 0.00001 4.62573 870. RY (12) H 19 0.00000 8.15197 871. RY (13) H 19 0.00000 7.53965 872. RY (14) H 19 0.00000 6.95831 873. RY (15) H 19 0.00000 7.11833 874. RY (16) H 19 0.00000 6.37868 875. RY (17) H 19 0.00000 6.82992 876. RY (18) H 19 0.00000 5.79974 877. RY (19) H 19 0.00000 10.23778 878. RY (20) H 19 0.00000 7.32592 879. RY (21) H 19 0.00000 5.30305 880. RY (22) H 19 0.00000 8.82794 881. RY (23) H 19 0.00000 8.60566 882. RY (24) H 19 0.00000 9.24313 883. RY (25) H 19 0.00000 9.23840 884. RY (26) H 19 0.00000 7.67471 885. RY (27) H 19 0.00000 6.99061 886. RY (28) H 19 0.00000 7.37914 887. RY (29) H 19 0.00000 7.64469 888. RY ( 1) H 20 0.00052 2.90668 889. RY ( 2) H 20 0.00042 3.13349 890. RY ( 3) H 20 0.00027 2.83983 891. RY ( 4) H 20 0.00017 1.76632 892. RY ( 5) H 20 0.00015 2.00255 893. RY ( 6) H 20 0.00003 6.11305 894. RY ( 7) H 20 0.00002 3.30954 895. RY ( 8) H 20 0.00001 6.37116 896. RY ( 9) H 20 0.00001 4.29889 897. RY (10) H 20 0.00001 4.51613 898. RY (11) H 20 0.00001 5.12059 899. RY (12) H 20 0.00000 5.72213 900. RY (13) H 20 0.00000 5.71174 901. RY (14) H 20 0.00000 8.14169 902. RY (15) H 20 0.00000 7.87220 903. RY (16) H 20 0.00000 6.55826 904. RY (17) H 20 0.00000 7.09269 905. RY (18) H 20 0.00000 6.82417 906. RY (19) H 20 0.00000 6.43307 907. RY (20) H 20 0.00000 5.90405 908. RY (21) H 20 0.00000 10.95548 909. RY (22) H 20 0.00000 8.59087 910. RY (23) H 20 0.00000 8.72056 911. RY (24) H 20 0.00000 9.23463 912. RY (25) H 20 0.00000 9.23409 913. RY (26) H 20 0.00000 7.49601 914. RY (27) H 20 0.00000 6.93422 915. RY (28) H 20 0.00000 6.89025 916. RY (29) H 20 0.00000 8.61285 917. RY ( 1)Mo 21 0.01364 2.86624 918. RY ( 2)Mo 21 0.01044 1.30699 919. RY ( 3)Mo 21 0.00833 1.78591 920. RY ( 4)Mo 21 0.00760 1.36700 921. RY ( 5)Mo 21 0.00716 3.34003 922. RY ( 6)Mo 21 0.00419 2.65163 923. RY ( 7)Mo 21 0.00366 1.80233 924. RY ( 8)Mo 21 0.00284 2.59343 925. RY ( 9)Mo 21 0.00174 9.16436 926. RY (10)Mo 21 0.00155 2.62411 927. RY (11)Mo 21 0.00120 5.64813 928. RY (12)Mo 21 0.00100 2.79034 929. RY (13)Mo 21 0.00072 3.02095 930. RY (14)Mo 21 0.00068 5.06372 931. RY (15)Mo 21 0.00061 2.34821 932. RY (16)Mo 21 0.00047 2.88164 933. RY (17)Mo 21 0.00039 2.45039 934. RY (18)Mo 21 0.00034 3.96832 935. RY (19)Mo 21 0.00029 2.59337 936. RY (20)Mo 21 0.00028 3.05996 937. RY (21)Mo 21 0.00025 2.32738 938. RY (22)Mo 21 0.00021 2.96076 939. RY (23)Mo 21 0.00013 2.58423 940. RY (24)Mo 21 0.00010 3.71045 941. RY (25)Mo 21 0.00008 2.80701 942. RY (26)Mo 21 0.00008 2.82787 943. RY (27)Mo 21 0.00006 2.95360 944. RY (28)Mo 21 0.00004 3.82809 945. RY (29)Mo 21 0.00004 3.41881 946. RY (30)Mo 21 0.00003 3.24211 947. RY (31)Mo 21 0.00003 3.58674 948. RY (32)Mo 21 0.00002 4.08130 949. RY (33)Mo 21 0.00002 4.31676 950. RY (34)Mo 21 0.00002 3.39364 951. RY (35)Mo 21 0.00002 4.00410 952. RY (36)Mo 21 0.00001 4.21100 953. RY (37)Mo 21 0.00001 3.11567 954. RY (38)Mo 21 0.00000 4.71178 955. RY (39)Mo 21 0.00000 32.01464 956. RY (40)Mo 21 0.00000 11.94614 957. RY (41)Mo 21 0.00000 4.47691 958. RY (42)Mo 21 0.00000 24.32109 959. RY (43)Mo 21 0.00000 5.67137 960. RY (44)Mo 21 0.00000 3.44556 961. RY (45)Mo 21 0.00000 4.31506 962. RY (46)Mo 21 0.00000 8.02236 963. RY (47)Mo 21 0.00000 4.63582 964. RY (48)Mo 21 0.00000 5.77111 965. RY (49)Mo 21 0.00000 6.00922 966. RY (50)Mo 21 0.00000 10.14613 967. RY (51)Mo 21 0.00000 4.21064 968. RY (52)Mo 21 0.00000 5.07945 969. RY (53)Mo 21 0.00000 3.76164 970. RY (54)Mo 21 0.00000 3.31209 971. RY (55)Mo 21 0.00000 3.30103 972. RY (56)Mo 21 0.00000 4.77261 973. RY (57)Mo 21 0.00000 4.87666 974. RY (58)Mo 21 0.00000 3.88607 975. RY (59)Mo 21 0.00000 4.50188 976. RY (60)Mo 21 0.00000 4.38388 977. RY (61)Mo 21 0.00000 4.03429 978. RY (62)Mo 21 0.00000 2.95970 979. RY (63)Mo 21 0.00000 4.52486 980. RY (64)Mo 21 0.00000 4.50058 981. RY (65)Mo 21 0.00000 4.33028 982. RY (66)Mo 21 0.00000 4.02875 983. RY (67)Mo 21 0.00000 4.02912 984. RY (68)Mo 21 0.00000 5.57073 985. RY (69)Mo 21 0.00000 4.91459 986. RY (70)Mo 21 0.00000 5.02879 987. RY (71)Mo 21 0.00000 4.93986 988. RY ( 1) S 22 0.00696 0.95985 989. RY ( 2) S 22 0.00390 1.21725 990. RY ( 3) S 22 0.00247 1.18717 991. RY ( 4) S 22 0.00156 1.08976 992. RY ( 5) S 22 0.00095 1.65405 993. RY ( 6) S 22 0.00068 2.30485 994. RY ( 7) S 22 0.00038 2.52236 995. RY ( 8) S 22 0.00033 1.95189 996. RY ( 9) S 22 0.00024 2.17251 997. RY (10) S 22 0.00018 2.11884 998. RY (11) S 22 0.00010 1.68465 999. RY (12) S 22 0.00006 1.59399 1000. RY (13) S 22 0.00005 2.80129 1001. RY (14) S 22 0.00003 2.06230 1002. RY (15) S 22 0.00003 2.12483 1003. RY (16) S 22 0.00002 1.79444 1004. RY (17) S 22 0.00002 2.33990 1005. RY (18) S 22 0.00002 2.46527 1006. RY (19) S 22 0.00001 2.92542 1007. RY (20) S 22 0.00001 2.21845 1008. RY (21) S 22 0.00001 2.75204 1009. RY (22) S 22 0.00000 2.83994 1010. RY (23) S 22 0.00001 2.86332 1011. RY (24) S 22 0.00001 3.20469 1012. RY (25) S 22 0.00000 6.49203 1013. RY (26) S 22 0.00000 5.16619 1014. RY (27) S 22 0.00000 4.00889 1015. RY (28) S 22 0.00000 5.93734 1016. RY (29) S 22 0.00000 4.75249 1017. RY (30) S 22 0.00000 4.90835 1018. RY (31) S 22 0.00000 4.39053 1019. RY (32) S 22 0.00000 4.14322 1020. RY (33) S 22 0.00000 3.90439 1021. RY (34) S 22 0.00000 4.01254 1022. RY (35) S 22 0.00000 4.22086 1023. RY (36) S 22 0.00000 3.35482 1024. RY (37) S 22 0.00000 4.67616 1025. RY (38) S 22 0.00000 3.34745 1026. RY (39) S 22 0.00000 5.15600 1027. RY (40) S 22 0.00000 4.44842 1028. RY (41) S 22 0.00000 4.09590 1029. RY (42) S 22 0.00000 3.79980 1030. RY (43) S 22 0.00000 68.17567 1031. RY (44) S 22 0.00000 403.40391 1032. RY (45) S 22 0.00000 30.12988 1033. RY (46) S 22 0.00000 28.69347 1034. RY (47) S 22 0.00000 22.27437 1035. RY (48) S 22 0.00000 15.08766 1036. RY (49) S 22 0.00000 22.86442 1037. RY (50) S 22 0.00000 25.34070 1038. RY (51) S 22 0.00000 7.38043 1039. RY (52) S 22 0.00000 8.71824 1040. RY (53) S 22 0.00000 9.18823 1041. RY (54) S 22 0.00000 5.80556 1042. RY (55) S 22 0.00000 12.83280 1043. RY (56) S 22 0.00000 5.34948 1044. RY (57) S 22 0.00000 4.14114 1045. RY (58) S 22 0.00000 4.86805 1046. RY (59) S 22 0.00000 5.62969 1047. RY (60) S 22 0.00000 4.93850 1048. RY (61) S 22 0.00000 4.21306 1049. RY ( 1) S 23 0.01487 0.70034 1050. RY ( 2) S 23 0.00936 0.63894 1051. RY ( 3) S 23 0.00543 0.58148 1052. RY ( 4) S 23 0.00401 0.67449 1053. RY ( 5) S 23 0.00054 0.95723 1054. RY ( 6) S 23 0.00040 2.03371 1055. RY ( 7) S 23 0.00034 1.01192 1056. RY ( 8) S 23 0.00022 1.46175 1057. RY ( 9) S 23 0.00012 1.64940 1058. RY (10) S 23 0.00004 2.73285 1059. RY (11) S 23 0.00002 1.42505 1060. RY (12) S 23 0.00002 1.51073 1061. RY (13) S 23 0.00001 1.68123 1062. RY (14) S 23 0.00001 2.75250 1063. RY (15) S 23 0.00001 1.85677 1064. RY (16) S 23 0.00000 3.02589 1065. RY (17) S 23 0.00001 2.85728 1066. RY (18) S 23 0.00001 3.21225 1067. RY (19) S 23 0.00000 6.05224 1068. RY (20) S 23 0.00000 4.87026 1069. RY (21) S 23 0.00000 7.30319 1070. RY (22) S 23 0.00000 4.94222 1071. RY (23) S 23 0.00000 4.64697 1072. RY (24) S 23 0.00000 3.45756 1073. RY (25) S 23 0.00000 4.08600 1074. RY (26) S 23 0.00000 4.38127 1075. RY (27) S 23 0.00000 4.77499 1076. RY (28) S 23 0.00000 3.93725 1077. RY (29) S 23 0.00000 4.51314 1078. RY (30) S 23 0.00000 5.50291 1079. RY (31) S 23 0.00000 3.98954 1080. RY (32) S 23 0.00000 4.84177 1081. RY (33) S 23 0.00000 4.37975 1082. RY (34) S 23 0.00000 4.93346 1083. RY (35) S 23 0.00000 5.20014 1084. RY (36) S 23 0.00000 3.59211 1085. RY (37) S 23 0.00000 3.95081 1086. RY (38) S 23 0.00000 4.49001 1087. RY (39) S 23 0.00000 5.05794 1088. RY (40) S 23 0.00000 2.95312 1089. RY (41) S 23 0.00000 3.30119 1090. RY (42) S 23 0.00000 3.13366 1091. RY (43) S 23 0.00000 2.80155 1092. RY (44) S 23 0.00000 5.02579 1093. RY (45) S 23 0.00000 3.37715 1094. RY (46) S 23 0.00000 7.22746 1095. RY (47) S 23 0.00000 3.90450 1096. RY (48) S 23 0.00000 69.01720 1097. RY (49) S 23 0.00000 402.20013 1098. RY (50) S 23 0.00000 21.29567 1099. RY (51) S 23 0.00000 33.11962 1100. RY (52) S 23 0.00000 26.73010 1101. RY (53) S 23 0.00000 24.72249 1102. RY (54) S 23 0.00000 17.25716 1103. RY (55) S 23 0.00000 6.26250 1104. RY (56) S 23 0.00000 6.35498 1105. RY (57) S 23 0.00000 15.89640 1106. RY (58) S 23 0.00000 5.52667 1107. RY (59) S 23 0.00000 5.66950 1108. RY (60) S 23 0.00000 8.55559 1109. RY (61) S 23 0.00000 7.86825 1110. RY ( 1) S 24 0.01680 0.69332 1111. RY ( 2) S 24 0.00955 0.65223 1112. RY ( 3) S 24 0.00566 0.54676 1113. RY ( 4) S 24 0.00395 0.66956 1114. RY ( 5) S 24 0.00054 0.86609 1115. RY ( 6) S 24 0.00039 2.05856 1116. RY ( 7) S 24 0.00035 1.25988 1117. RY ( 8) S 24 0.00022 1.50111 1118. RY ( 9) S 24 0.00013 1.52842 1119. RY (10) S 24 0.00006 2.61503 1120. RY (11) S 24 0.00003 1.73399 1121. RY (12) S 24 0.00002 1.66255 1122. RY (13) S 24 0.00002 1.25816 1123. RY (14) S 24 0.00001 1.76740 1124. RY (15) S 24 0.00001 2.62988 1125. RY (16) S 24 0.00000 4.30856 1126. RY (17) S 24 0.00000 3.07259 1127. RY (18) S 24 0.00001 3.83438 1128. RY (19) S 24 0.00001 2.88540 1129. RY (20) S 24 0.00000 5.93330 1130. RY (21) S 24 0.00000 6.97446 1131. RY (22) S 24 0.00000 5.15614 1132. RY (23) S 24 0.00000 5.43135 1133. RY (24) S 24 0.00000 4.56909 1134. RY (25) S 24 0.00000 4.08540 1135. RY (26) S 24 0.00000 4.07031 1136. RY (27) S 24 0.00000 4.02014 1137. RY (28) S 24 0.00000 4.07365 1138. RY (29) S 24 0.00000 4.10423 1139. RY (30) S 24 0.00000 3.73737 1140. RY (31) S 24 0.00000 4.30718 1141. RY (32) S 24 0.00000 5.64192 1142. RY (33) S 24 0.00000 3.79358 1143. RY (34) S 24 0.00000 3.84942 1144. RY (35) S 24 0.00000 5.27771 1145. RY (36) S 24 0.00000 4.24124 1146. RY (37) S 24 0.00000 5.34289 1147. RY (38) S 24 0.00000 4.96296 1148. RY (39) S 24 0.00000 3.49594 1149. RY (40) S 24 0.00000 2.51561 1150. RY (41) S 24 0.00000 3.85932 1151. RY (42) S 24 0.00000 3.37649 1152. RY (43) S 24 0.00000 4.12986 1153. RY (44) S 24 0.00000 3.18428 1154. RY (45) S 24 0.00000 4.23012 1155. RY (46) S 24 0.00000 4.25673 1156. RY (47) S 24 0.00000 4.96616 1157. RY (48) S 24 0.00000 79.12744 1158. RY (49) S 24 0.00000 364.55470 1159. RY (50) S 24 0.00000 39.63799 1160. RY (51) S 24 0.00000 19.97710 1161. RY (52) S 24 0.00000 52.36001 1162. RY (53) S 24 0.00000 11.20587 1163. RY (54) S 24 0.00000 19.26475 1164. RY (55) S 24 0.00000 20.74857 1165. RY (56) S 24 0.00000 11.52558 1166. RY (57) S 24 0.00000 8.32939 1167. RY (58) S 24 0.00000 4.28404 1168. RY (59) S 24 0.00000 6.79067 1169. RY (60) S 24 0.00000 7.60069 1170. RY (61) S 24 0.00000 6.98434 1171. RY ( 1) S 25 0.00738 0.94128 1172. RY ( 2) S 25 0.00404 1.24160 1173. RY ( 3) S 25 0.00275 1.08654 1174. RY ( 4) S 25 0.00169 1.03621 1175. RY ( 5) S 25 0.00096 1.71534 1176. RY ( 6) S 25 0.00064 2.18038 1177. RY ( 7) S 25 0.00046 2.00425 1178. RY ( 8) S 25 0.00037 2.19734 1179. RY ( 9) S 25 0.00028 1.84343 1180. RY (10) S 25 0.00019 2.47259 1181. RY (11) S 25 0.00010 2.00345 1182. RY (12) S 25 0.00006 2.21927 1183. RY (13) S 25 0.00005 1.88355 1184. RY (14) S 25 0.00003 1.93733 1185. RY (15) S 25 0.00002 2.07171 1186. RY (16) S 25 0.00002 2.06304 1187. RY (17) S 25 0.00002 3.25125 1188. RY (18) S 25 0.00001 2.42460 1189. RY (19) S 25 0.00001 2.24240 1190. RY (20) S 25 0.00001 2.98759 1191. RY (21) S 25 0.00001 3.23233 1192. RY (22) S 25 0.00001 2.51412 1193. RY (23) S 25 0.00000 6.50199 1194. RY (24) S 25 0.00000 5.06869 1195. RY (25) S 25 0.00000 4.23349 1196. RY (26) S 25 0.00000 4.00553 1197. RY (27) S 25 0.00000 5.58432 1198. RY (28) S 25 0.00000 4.34963 1199. RY (29) S 25 0.00000 3.93775 1200. RY (30) S 25 0.00000 4.47821 1201. RY (31) S 25 0.00000 4.72315 1202. RY (32) S 25 0.00000 4.76603 1203. RY (33) S 25 0.00000 4.18982 1204. RY (34) S 25 0.00000 4.95568 1205. RY (35) S 25 0.00000 2.83424 1206. RY (36) S 25 0.00000 2.80748 1207. RY (37) S 25 0.00000 4.75035 1208. RY (38) S 25 0.00000 4.26897 1209. RY (39) S 25 0.00000 3.86703 1210. RY (40) S 25 0.00000 3.88483 1211. RY (41) S 25 0.00000 3.45452 1212. RY (42) S 25 0.00000 2.69824 1213. RY (43) S 25 0.00000 92.49015 1214. RY (44) S 25 0.00000 387.61289 1215. RY (45) S 25 0.00000 27.81607 1216. RY (46) S 25 0.00000 19.68421 1217. RY (47) S 25 0.00000 20.48017 1218. RY (48) S 25 0.00000 17.97243 1219. RY (49) S 25 0.00000 17.81538 1220. RY (50) S 25 0.00000 16.61801 1221. RY (51) S 25 0.00000 9.10551 1222. RY (52) S 25 0.00000 26.87162 1223. RY (53) S 25 0.00000 5.94846 1224. RY (54) S 25 0.00000 6.02856 1225. RY (55) S 25 0.00000 9.36755 1226. RY (56) S 25 0.00000 6.46179 1227. RY (57) S 25 0.00000 6.62719 1228. RY (58) S 25 0.00000 5.00904 1229. RY (59) S 25 0.00000 4.85739 1230. RY (60) S 25 0.00000 3.84782 1231. RY (61) S 25 0.00000 5.46721 ------------------------------- Total Lewis 171.44440 ( 97.4116%) Valence non-Lewis 4.22832 ( 2.4025%) Rydberg non-Lewis 0.32728 ( 0.1860%) ------------------------------- Total unit 1 176.00000 (100.0000%) Charge unit 1 0.00000 $CHOOSE LONE 3 1 21 1 22 2 23 2 24 2 25 2 END BOND S 1 3 S 1 6 S 1 11 S 2 7 S 2 10 S 2 12 S 3 4 S 3 13 S 4 5 S 4 14 S 5 6 S 5 15 S 6 16 S 7 8 S 7 17 S 8 9 S 8 18 S 9 10 S 9 19 S 10 20 S 21 22 S 21 25 S 22 23 S 23 24 S 24 25 END 3C S 1 6 21 D 2 7 10 S 4 5 21 S 8 9 21 END $END Checkpoint NBOs sorted by occupancy: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 2.00000 -87.62304 15. CR ( 1) S 22 2. 2.00000 -87.95835 20. CR ( 1) S 23 3. 2.00000 -87.92476 25. CR ( 1) S 24 4. 2.00000 -87.56509 30. CR ( 1) S 25 5. 2.00000 -8.87836 16. CR ( 2) S 22 6. 2.00000 -8.61589 21. CR ( 2) S 23 7. 2.00000 -8.65649 26. CR ( 2) S 24 8. 2.00000 -8.94640 31. CR ( 2) S 25 9. 2.00000 -5.84249 17. CR ( 3) S 22 10. 2.00000 -5.83170 18. CR ( 4) S 22 11. 1.99999 -5.83707 19. CR ( 5) S 22 12. 2.00000 -5.84718 32. CR ( 3) S 25 13. 1.99999 -5.87331 22. CR ( 3) S 23 14. 1.99999 -5.87201 24. CR ( 5) S 23 15. 1.99999 -5.87232 23. CR ( 4) S 23 16. 1.99999 -5.87634 27. CR ( 3) S 24 17. 1.99999 -5.87578 29. CR ( 5) S 24 18. 2.00000 -5.83694 33. CR ( 4) S 25 19. 1.99999 -5.84226 34. CR ( 5) S 25 20. 1.99999 -5.87591 28. CR ( 4) S 24 21. 1.99997 -10.22485 1. CR ( 1) C 1 22. 1.99997 -10.23114 2. CR ( 1) C 2 23. 1.99997 -10.22928 3. CR ( 1) C 3 24. 1.99997 -10.22645 4. CR ( 1) C 4 25. 1.99997 -10.23605 5. CR ( 1) C 5 26. 1.99997 -10.22824 6. CR ( 1) C 6 27. 1.99997 -10.22008 7. CR ( 1) C 7 28. 1.99997 -10.22954 8. CR ( 1) C 8 29. 1.99997 -10.24055 9. CR ( 1) C 9 30. 1.99997 -10.23949 10. CR ( 1) C 10 31. 1.99993 -2.60462 11. CR ( 1)Mo 21 32. 1.99984 -1.57627 14. CR ( 4)Mo 21 33. 1.99982 -1.59030 12. CR ( 2)Mo 21 34. 1.99976 -1.60499 13. CR ( 3)Mo 21 35. 1.99336 -0.48911 41. LP ( 1) S 24 36. 1.99300 -0.48556 39. LP ( 1) S 23 37. 1.98723 -0.49559 68. BD ( 1) S 23- S 24 38. 1.98182 -0.46593 67. BD ( 1) S 22- S 23 39. 1.98137 -0.49341 52. BD ( 1) C 3- H 13 40. 1.98111 -0.47490 69. BD ( 1) S 24- S 25 41. 1.98101 -0.51144 56. BD ( 1) C 5- H 15 42. 1.98069 -0.49656 61. BD ( 1) C 8- H 18 43. 1.98054 -0.48973 47. BD ( 1) C 1- H 11 44. 1.98046 -0.51417 63. BD ( 1) C 9- H 19 45. 1.98027 -0.50117 57. BD ( 1) C 6- H 16 46. 1.98017 -0.51343 64. BD ( 1) C 10- H 20 47. 1.97995 -0.50133 54. BD ( 1) C 4- H 14 48. 1.97890 -0.49905 50. BD ( 1) C 2- H 12 49. 1.97761 -0.48451 59. BD ( 1) C 7- H 17 50. 1.97507 -0.57828 45. BD ( 1) C 1- C 3 51. 1.97315 -0.57702 62. BD ( 1) C 9- C 10 52. 1.97234 -0.46528 43. LP ( 1) S 25 53. 1.97149 -0.58155 60. BD ( 1) C 8- C 9 54. 1.97104 -0.45780 37. LP ( 1) S 22 55. 1.96958 -0.57730 49. BD ( 1) C 2- C 10 56. 1.96762 -0.56131 55. BD ( 1) C 5- C 6 57. 1.96736 -0.56135 53. BD ( 1) C 4- C 5 58. 1.96468 -0.56858 51. BD ( 1) C 3- C 4 59. 1.96344 -0.55664 48. BD ( 1) C 2- C 7 60. 1.96222 -0.56541 46. BD ( 1) C 1- C 6 61. 1.96123 -0.55550 58. BD ( 1) C 7- C 8 62. 1.95790 -0.34871 65. BD ( 1)Mo 21- S 22 63. 1.95623 -0.34820 66. BD ( 1)Mo 21- S 25 64. 1.90347 -0.23405 40. LP ( 2) S 23 65. 1.89837 -0.23523 42. LP ( 2) S 24 66. 1.87552 -0.20508 44. LP ( 2) S 25 67. 1.87303 -0.20194 38. LP ( 2) S 22 68. 1.79987 -0.35339 72. 3C ( 1) C 4- C 5-Mo 21 69. 1.78420 -0.31927 73. 3C ( 1) C 8- C 9-Mo 21 70. 1.71706 -0.17574 36. LP ( 1)Mo 21 71. 1.71179 -0.27272 70. 3C ( 1) C 1- C 6-Mo 21 72. 1.67115 -0.32926 71. 3C ( 1) C 2- C 7- C 10 73. 1.03795 -0.13706 74. 3Cn( 1) C 2- C 7- C 10 74. 0.90213 -0.13296 35. LP ( 1) C 3 75. 0.54131 0.02276 101. 3Cn( 1) C 4- C 5-Mo 21 76. 0.47430 0.01673 105. 3C*( 1) C 4- C 5-Mo 21 77. 0.46632 0.22142 102. 3Cn( 1) C 8- C 9-Mo 21 78. 0.45110 -0.00867 100. 3Cn( 1) C 1- C 6-Mo 21 79. 0.39698 0.07453 95. BD*( 1)Mo 21- S 22 80. 0.37955 0.06674 96. BD*( 1)Mo 21- S 25 81. 0.35367 0.04461 106. 3C*( 1) C 8- C 9-Mo 21 82. 0.33881 0.62382 103. 3C*( 1) C 1- C 6-Mo 21 83. 0.17781 0.05117 104. 3C*( 1) C 2- C 7- C 10 84. 0.09977 0.07306 97. BD*( 1) S 22- S 23 85. 0.08941 0.07909 99. BD*( 1) S 24- S 25 86. 0.08108 0.07862 98. BD*( 1) S 23- S 24 87. 0.02481 0.42211 85. BD*( 1) C 5- C 6 88. 0.02437 0.42761 78. BD*( 1) C 2- C 7 89. 0.02418 0.42173 83. BD*( 1) C 4- C 5 90. 0.02321 0.42228 92. BD*( 1) C 9- C 10 91. 0.02298 0.42487 88. BD*( 1) C 7- C 8 92. 0.02202 0.44827 79. BD*( 1) C 2- C 10 93. 0.02188 0.43817 76. BD*( 1) C 1- C 6 94. 0.02142 0.44288 81. BD*( 1) C 3- C 4 95. 0.02135 0.45725 90. BD*( 1) C 8- C 9 96. 0.01883 0.46271 75. BD*( 1) C 1- C 3 97. 0.01734 0.40196 89. BD*( 1) C 7- H 17 98. 0.01680 0.69332 1110. RY ( 1) S 24 99. 0.01567 0.39800 80. BD*( 1) C 2- H 12 100. 0.01545 0.40885 82. BD*( 1) C 3- H 13 101. 0.01523 0.37206 86. BD*( 1) C 5- H 15 102. 0.01504 0.40876 77. BD*( 1) C 1- H 11 103. 0.01498 0.37180 93. BD*( 1) C 9- H 19 104. 0.01493 0.38763 87. BD*( 1) C 6- H 16 105. 0.01490 0.40525 91. BD*( 1) C 8- H 18 106. 0.01487 0.70034 1049. RY ( 1) S 23 107. 0.01481 0.36993 94. BD*( 1) C 10- H 20 108. 0.01479 0.38475 84. BD*( 1) C 4- H 14 109. 0.01364 2.86624 917. RY ( 1)Mo 21 110. 0.01044 1.30699 918. RY ( 2)Mo 21 111. 0.00955 0.65223 1111. RY ( 2) S 24 112. 0.00936 0.63894 1050. RY ( 2) S 23 113. 0.00833 1.78591 919. RY ( 3)Mo 21 114. 0.00760 1.36700 920. RY ( 4)Mo 21 115. 0.00738 0.94128 1171. RY ( 1) S 25 116. 0.00716 3.34003 921. RY ( 5)Mo 21 117. 0.00696 0.95985 988. RY ( 1) S 22 118. 0.00566 0.54676 1112. RY ( 3) S 24 119. 0.00543 0.58148 1051. RY ( 3) S 23 120. 0.00435 1.63397 419. RY ( 1) C 7 121. 0.00419 2.65163 922. RY ( 6)Mo 21 122. 0.00404 1.24160 1172. RY ( 2) S 25 123. 0.00401 0.67449 1052. RY ( 4) S 23 124. 0.00395 0.66956 1113. RY ( 4) S 24 125. 0.00394 1.67728 211. RY ( 1) C 3 126. 0.00391 1.65721 575. RY ( 1) C 10 127. 0.00390 1.21725 989. RY ( 2) S 22 128. 0.00389 1.83524 107. RY ( 1) C 1 129. 0.00382 1.59322 523. RY ( 1) C 9 130. 0.00375 1.71840 159. RY ( 1) C 2 131. 0.00374 1.69118 471. RY ( 1) C 8 132. 0.00373 1.65813 263. RY ( 1) C 4 133. 0.00372 1.68442 367. RY ( 1) C 6 134. 0.00371 1.49065 212. RY ( 2) C 3 135. 0.00366 1.80233 923. RY ( 7)Mo 21 136. 0.00364 1.46527 420. RY ( 2) C 7 137. 0.00360 1.77496 315. RY ( 1) C 5 138. 0.00351 1.45852 108. RY ( 2) C 1 139. 0.00326 1.63047 160. RY ( 2) C 2 140. 0.00321 1.51028 264. RY ( 2) C 4 141. 0.00317 2.92515 421. RY ( 3) C 7 142. 0.00315 1.73465 472. RY ( 2) C 8 143. 0.00313 1.63146 368. RY ( 2) C 6 144. 0.00310 1.56153 576. RY ( 2) C 10 145. 0.00305 1.60531 524. RY ( 2) C 9 146. 0.00284 2.59343 924. RY ( 8)Mo 21 147. 0.00275 1.08654 1173. RY ( 3) S 25 148. 0.00271 1.57466 316. RY ( 2) C 5 149. 0.00247 1.18717 990. RY ( 3) S 22 150. 0.00238 1.99521 525. RY ( 3) C 9 151. 0.00233 2.38264 109. RY ( 3) C 1 152. 0.00229 2.10644 265. RY ( 3) C 4 153. 0.00218 1.87518 577. RY ( 3) C 10 154. 0.00217 2.20933 213. RY ( 3) C 3 155. 0.00207 0.95603 801. RY ( 1) H 17 156. 0.00192 2.04872 369. RY ( 3) C 6 157. 0.00174 9.16436 925. RY ( 9)Mo 21 158. 0.00169 2.15250 317. RY ( 3) C 5 159. 0.00169 1.03621 1174. RY ( 4) S 25 160. 0.00169 1.94673 473. RY ( 3) C 8 161. 0.00155 2.62411 926. RY (10)Mo 21 162. 0.00156 1.08976 991. RY ( 4) S 22 163. 0.00139 2.15916 161. RY ( 3) C 2 164. 0.00139 2.50067 422. RY ( 4) C 7 165. 0.00134 1.18248 685. RY ( 1) H 13 166. 0.00120 5.64813 927. RY (11)Mo 21 167. 0.00110 2.78159 110. RY ( 4) C 1 168. 0.00109 2.91997 578. RY ( 4) C 10 169. 0.00109 3.12887 318. RY ( 4) C 5 170. 0.00105 1.38245 627. RY ( 1) H 11 171. 0.00100 2.79034 928. RY (12)Mo 21 172. 0.00097 2.46246 266. RY ( 4) C 4 173. 0.00096 1.71534 1175. RY ( 5) S 25 174. 0.00095 2.36021 214. RY ( 4) C 3 175. 0.00095 1.65405 992. RY ( 5) S 22 176. 0.00090 2.80091 526. RY ( 4) C 9 177. 0.00088 2.47764 370. RY ( 4) C 6 178. 0.00088 2.91387 474. RY ( 4) C 8 179. 0.00087 1.54360 111. RY ( 5) C 1 180. 0.00082 2.00648 579. RY ( 5) C 10 181. 0.00082 1.97087 319. RY ( 5) C 5 182. 0.00081 2.32856 371. RY ( 5) C 6 183. 0.00081 2.45141 267. RY ( 5) C 4 184. 0.00080 2.72321 162. RY ( 4) C 2 185. 0.00080 2.17923 215. RY ( 5) C 3 186. 0.00074 2.08319 527. RY ( 5) C 9 187. 0.00074 1.80828 423. RY ( 5) C 7 188. 0.00072 3.02095 929. RY (13)Mo 21 189. 0.00072 2.18887 163. RY ( 5) C 2 190. 0.00069 2.00196 656. RY ( 1) H 12 191. 0.00068 5.06372 930. RY (14)Mo 21 192. 0.00068 2.30485 993. RY ( 6) S 22 193. 0.00066 2.13560 475. RY ( 5) C 8 194. 0.00064 2.18038 1176. RY ( 6) S 25 195. 0.00063 2.28026 830. RY ( 1) H 18 196. 0.00061 2.34821 931. RY (15)Mo 21 197. 0.00059 2.55911 580. RY ( 6) C 10 198. 0.00058 2.51035 528. RY ( 6) C 9 199. 0.00057 1.96885 424. RY ( 6) C 7 200. 0.00056 2.98413 743. RY ( 1) H 15 201. 0.00054 0.86609 1114. RY ( 5) S 24 202. 0.00054 0.95723 1053. RY ( 5) S 23 203. 0.00054 2.85165 802. RY ( 2) H 17 204. 0.00054 2.64150 216. RY ( 6) C 3 205. 0.00052 2.90668 888. RY ( 1) H 20 206. 0.00051 2.93005 859. RY ( 1) H 19 207. 0.00051 2.78520 686. RY ( 2) H 13 208. 0.00051 2.86195 714. RY ( 1) H 14 209. 0.00050 3.02108 744. RY ( 2) H 15 210. 0.00050 2.88071 772. RY ( 1) H 16 211. 0.00050 2.80591 628. RY ( 2) H 11 212. 0.00049 3.05365 164. RY ( 6) C 2 213. 0.00049 2.93552 803. RY ( 3) H 17 214. 0.00048 2.86000 657. RY ( 2) H 12 215. 0.00047 3.69662 372. RY ( 6) C 6 216. 0.00047 4.05755 476. RY ( 6) C 8 217. 0.00047 2.88164 932. RY (16)Mo 21 218. 0.00047 2.88381 831. RY ( 2) H 18 219. 0.00047 4.76773 165. RY ( 7) C 2 220. 0.00046 3.30469 268. RY ( 6) C 4 221. 0.00046 4.83252 320. RY ( 6) C 5 222. 0.00046 2.00425 1177. RY ( 7) S 25 223. 0.00046 4.55669 217. RY ( 7) C 3 224. 0.00046 3.19027 112. RY ( 6) C 1 225. 0.00045 3.93852 477. RY ( 7) C 8 226. 0.00044 4.28227 113. RY ( 7) C 1 227. 0.00043 3.11212 687. RY ( 3) H 13 228. 0.00043 4.91843 425. RY ( 7) C 7 229. 0.00042 4.66840 529. RY ( 7) C 9 230. 0.00042 3.13349 889. RY ( 2) H 20 231. 0.00042 3.11265 860. RY ( 2) H 19 232. 0.00042 4.66468 581. RY ( 7) C 10 233. 0.00041 2.78236 629. RY ( 3) H 11 234. 0.00041 4.56530 373. RY ( 7) C 6 235. 0.00040 4.65104 269. RY ( 7) C 4 236. 0.00040 2.03371 1054. RY ( 6) S 23 237. 0.00040 3.20814 773. RY ( 2) H 16 238. 0.00039 2.91254 321. RY ( 7) C 5 239. 0.00039 3.09058 715. RY ( 2) H 14 240. 0.00039 2.45039 933. RY (17)Mo 21 241. 0.00039 2.05856 1115. RY ( 6) S 24 242. 0.00038 2.52236 994. RY ( 7) S 22 243. 0.00037 2.19734 1178. RY ( 8) S 25 244. 0.00035 3.05712 745. RY ( 3) H 15 245. 0.00035 1.25988 1116. RY ( 7) S 24 246. 0.00034 3.96832 934. RY (18)Mo 21 247. 0.00034 2.92727 114. RY ( 8) C 1 248. 0.00034 1.01192 1055. RY ( 7) S 23 249. 0.00033 1.95189 995. RY ( 8) S 22 250. 0.00033 1.83944 716. RY ( 3) H 14 251. 0.00033 2.88077 426. RY ( 8) C 7 252. 0.00032 2.87091 218. RY ( 8) C 3 253. 0.00032 3.17466 804. RY ( 4) H 17 254. 0.00030 2.96349 658. RY ( 3) H 12 255. 0.00029 2.59337 935. RY (19)Mo 21 256. 0.00028 1.91739 774. RY ( 3) H 16 257. 0.00028 1.84343 1179. RY ( 9) S 25 258. 0.00028 2.85518 832. RY ( 3) H 18 259. 0.00028 3.05996 936. RY (20)Mo 21 260. 0.00027 2.83983 890. RY ( 3) H 20 261. 0.00025 2.32738 937. RY (21)Mo 21 262. 0.00025 2.78623 861. RY ( 3) H 19 263. 0.00024 2.17251 996. RY ( 9) S 22 264. 0.00023 2.62412 427. RY ( 9) C 7 265. 0.00022 1.46175 1056. RY ( 8) S 23 266. 0.00022 1.50111 1117. RY ( 8) S 24 267. 0.00022 2.94981 630. RY ( 4) H 11 268. 0.00021 2.96076 938. RY (22)Mo 21 269. 0.00021 2.88264 688. RY ( 4) H 13 270. 0.00021 2.56322 166. RY ( 8) C 2 271. 0.00020 2.59166 270. RY ( 8) C 4 272. 0.00020 2.98828 322. RY ( 8) C 5 273. 0.00020 2.85756 374. RY ( 8) C 6 274. 0.00020 2.94337 775. RY ( 4) H 16 275. 0.00020 1.91775 833. RY ( 4) H 18 276. 0.00019 2.30627 478. RY ( 8) C 8 277. 0.00019 2.93616 717. RY ( 4) H 14 278. 0.00019 2.47259 1180. RY (10) S 25 279. 0.00019 2.08093 659. RY ( 4) H 12 280. 0.00018 2.28723 219. RY ( 9) C 3 281. 0.00018 1.35201 746. RY ( 4) H 15 282. 0.00018 2.11884 997. RY (10) S 22 283. 0.00017 1.70048 115. RY ( 9) C 1 284. 0.00017 2.21531 271. RY ( 9) C 4 285. 0.00017 2.14383 375. RY ( 9) C 6 286. 0.00017 1.76632 891. RY ( 4) H 20 287. 0.00016 2.59853 428. RY (10) C 7 288. 0.00017 2.32034 479. RY ( 9) C 8 289. 0.00016 1.67491 718. RY ( 5) H 14 290. 0.00016 1.90294 862. RY ( 4) H 19 291. 0.00016 2.92187 167. RY ( 9) C 2 292. 0.00015 1.47996 776. RY ( 5) H 16 293. 0.00015 2.00255 892. RY ( 5) H 20 294. 0.00015 2.61856 480. RY (10) C 8 295. 0.00015 2.77960 582. RY ( 8) C 10 296. 0.00014 1.93701 863. RY ( 5) H 19 297. 0.00013 1.84120 116. RY (10) C 1 298. 0.00013 2.58423 939. RY (23)Mo 21 299. 0.00013 1.52842 1118. RY ( 9) S 24 300. 0.00013 2.06462 168. RY (10) C 2 301. 0.00013 2.27390 530. RY ( 8) C 9 302. 0.00012 2.36266 834. RY ( 5) H 18 303. 0.00012 3.56451 583. RY ( 9) C 10 304. 0.00012 1.64940 1057. RY ( 9) S 23 305. 0.00011 2.23722 660. RY ( 5) H 12 306. 0.00011 3.16733 117. RY (11) C 1 307. 0.00011 3.31378 323. RY ( 9) C 5 308. 0.00011 3.02354 429. RY (11) C 7 309. 0.00011 2.69415 220. RY (10) C 3 310. 0.00011 3.77849 531. RY ( 9) C 9 311. 0.00010 2.00345 1181. RY (11) S 25 312. 0.00010 3.87271 689. RY ( 5) H 13 313. 0.00010 2.98768 324. RY (10) C 5 314. 0.00010 3.54215 631. RY ( 5) H 11 315. 0.00010 2.43105 747. RY ( 5) H 15 316. 0.00010 3.71045 940. RY (24)Mo 21 317. 0.00010 3.04655 430. RY (12) C 7 318. 0.00010 1.68465 998. RY (11) S 22 319. 0.00009 3.85351 272. RY (10) C 4 320. 0.00009 2.98591 376. RY (10) C 6 321. 0.00008 3.56990 221. RY (11) C 3 322. 0.00008 4.64306 805. RY ( 5) H 17 323. 0.00008 2.80701 941. RY (25)Mo 21 324. 0.00008 3.00550 584. RY (10) C 10 325. 0.00008 2.82787 942. RY (26)Mo 21 326. 0.00007 2.91202 273. RY (11) C 4 327. 0.00007 3.49708 377. RY (11) C 6 328. 0.00007 4.57232 431. RY (13) C 7 329. 0.00007 4.08518 532. RY (10) C 9 330. 0.00007 3.39108 325. RY (11) C 5 331. 0.00007 3.02637 533. RY (11) C 9 332. 0.00006 2.98406 118. RY (12) C 1 333. 0.00006 2.95360 943. RY (27)Mo 21 334. 0.00006 2.61503 1119. RY (10) S 24 335. 0.00006 2.93985 222. RY (12) C 3 336. 0.00006 3.62358 585. RY (11) C 10 337. 0.00006 2.75329 481. RY (11) C 8 338. 0.00006 2.45897 169. RY (11) C 2 339. 0.00006 1.59399 999. RY (12) S 22 340. 0.00006 4.61837 223. RY (13) C 3 341. 0.00006 4.38257 690. RY ( 6) H 13 342. 0.00006 2.21927 1182. RY (12) S 25 343. 0.00005 4.35461 119. RY (13) C 1 344. 0.00005 3.25958 170. RY (12) C 2 345. 0.00006 3.08072 326. RY (12) C 5 346. 0.00006 3.54739 534. RY (12) C 9 347. 0.00006 4.62857 632. RY ( 6) H 11 348. 0.00005 3.41916 327. RY (13) C 5 349. 0.00005 3.13622 378. RY (12) C 6 350. 0.00005 3.70286 482. RY (12) C 8 351. 0.00005 3.73925 586. RY (12) C 10 352. 0.00005 3.00835 806. RY ( 6) H 17 353. 0.00005 3.27054 274. RY (12) C 4 354. 0.00005 4.74458 835. RY ( 6) H 18 355. 0.00005 2.80129 1000. RY (13) S 22 356. 0.00005 1.88355 1183. RY (13) S 25 357. 0.00005 3.22655 432. RY (14) C 7 358. 0.00004 3.34939 535. RY (13) C 9 359. 0.00004 4.93263 661. RY ( 6) H 12 360. 0.00004 2.72298 120. RY (14) C 1 361. 0.00004 4.07241 171. RY (13) C 2 362. 0.00004 2.73285 1058. RY (10) S 23 363. 0.00004 3.82809 944. RY (28)Mo 21 364. 0.00004 3.54489 172. RY (14) C 2 365. 0.00004 2.76752 275. RY (13) C 4 366. 0.00004 4.11013 379. RY (13) C 6 367. 0.00004 3.61009 483. RY (13) C 8 368. 0.00004 6.72950 719. RY ( 6) H 14 369. 0.00004 4.93405 807. RY ( 7) H 17 370. 0.00004 2.74413 224. RY (14) C 3 371. 0.00004 3.24567 587. RY (13) C 10 372. 0.00004 6.95681 748. RY ( 6) H 15 373. 0.00003 3.62902 276. RY (14) C 4 374. 0.00003 5.27005 691. RY ( 7) H 13 375. 0.00004 6.73094 777. RY ( 6) H 16 376. 0.00004 3.41881 945. RY (29)Mo 21 377. 0.00003 6.26334 633. RY ( 7) H 11 378. 0.00003 3.24211 946. RY (30)Mo 21 379. 0.00003 2.06230 1001. RY (14) S 22 380. 0.00003 1.73399 1120. RY (11) S 24 381. 0.00003 1.93733 1184. RY (14) S 25 382. 0.00003 4.38562 173. RY (15) C 2 383. 0.00003 5.40711 328. RY (14) C 5 384. 0.00003 3.78402 433. RY (15) C 7 385. 0.00003 4.67691 484. RY (14) C 8 386. 0.00003 5.94583 662. RY ( 7) H 12 387. 0.00003 6.12213 836. RY ( 7) H 18 388. 0.00003 3.09237 225. RY (15) C 3 389. 0.00003 3.31924 277. RY (15) C 4 390. 0.00003 5.57909 864. RY ( 6) H 19 391. 0.00003 6.11305 893. RY ( 6) H 20 392. 0.00003 3.58674 947. RY (31)Mo 21 393. 0.00003 3.57537 121. RY (15) C 1 394. 0.00003 3.49161 720. RY ( 7) H 14 395. 0.00002 2.41449 329. RY (15) C 5 396. 0.00002 3.22488 434. RY (16) C 7 397. 0.00002 3.48385 485. RY (15) C 8 398. 0.00002 2.79485 536. RY (14) C 9 399. 0.00003 2.89079 588. RY (14) C 10 400. 0.00002 3.41828 380. RY (14) C 6 401. 0.00002 4.09618 634. RY ( 8) H 11 402. 0.00002 4.62324 692. RY ( 8) H 13 403. 0.00003 2.12483 1002. RY (15) S 22 404. 0.00002 3.87235 122. RY (16) C 1 405. 0.00002 3.04319 381. RY (15) C 6 406. 0.00002 3.81238 435. RY (17) C 7 407. 0.00002 3.01731 749. RY ( 7) H 15 408. 0.00002 3.47581 778. RY ( 7) H 16 409. 0.00002 4.91341 808. RY ( 8) H 17 410. 0.00002 3.91778 865. RY ( 7) H 19 411. 0.00002 4.08130 948. RY (32)Mo 21 412. 0.00002 3.30954 894. RY ( 7) H 20 413. 0.00002 1.42505 1059. RY (11) S 23 414. 0.00002 2.07171 1185. RY (15) S 25 415. 0.00002 4.26455 278. RY (16) C 4 416. 0.00002 3.35889 486. RY (16) C 8 417. 0.00002 4.62810 809. RY ( 9) H 17 418. 0.00002 4.31676 949. RY (33)Mo 21 419. 0.00002 1.79444 1003. RY (16) S 22 420. 0.00002 3.39364 950. RY (34)Mo 21 421. 0.00002 4.62546 123. RY (17) C 1 422. 0.00002 3.12250 174. RY (16) C 2 423. 0.00002 5.21369 226. RY (16) C 3 424. 0.00002 3.04572 330. RY (16) C 5 425. 0.00002 4.69839 175. RY (17) C 2 426. 0.00002 3.75748 227. RY (17) C 3 427. 0.00002 4.22849 382. RY (16) C 6 428. 0.00002 3.99118 537. RY (15) C 9 429. 0.00002 3.29688 589. RY (15) C 10 430. 0.00002 1.66255 1121. RY (12) S 24 431. 0.00002 2.06304 1186. RY (16) S 25 432. 0.00002 2.91155 331. RY (17) C 5 433. 0.00002 2.93760 538. RY (16) C 9 434. 0.00002 3.86161 176. RY (18) C 2 435. 0.00001 4.57035 279. RY (17) C 4 436. 0.00002 3.86263 590. RY (16) C 10 437. 0.00002 3.49794 591. RY (17) C 10 438. 0.00002 5.05155 663. RY ( 8) H 12 439. 0.00002 5.82871 810. RY (10) H 17 440. 0.00002 4.00410 951. RY (35)Mo 21 441. 0.00002 2.33990 1004. RY (17) S 22 442. 0.00002 1.51073 1060. RY (12) S 23 443. 0.00002 3.25125 1187. RY (17) S 25 444. 0.00001 4.21162 228. RY (18) C 3 445. 0.00001 5.21392 383. RY (17) C 6 446. 0.00001 4.36024 124. RY (18) C 1 447. 0.00001 3.74354 332. RY (18) C 5 448. 0.00001 4.03084 384. RY (18) C 6 449. 0.00001 4.72643 436. RY (18) C 7 450. 0.00001 3.88599 487. RY (17) C 8 451. 0.00001 4.22152 539. RY (17) C 9 452. 0.00001 4.92793 664. RY ( 9) H 12 453. 0.00001 4.85494 592. RY (18) C 10 454. 0.00001 4.31684 635. RY ( 9) H 11 455. 0.00001 4.30235 693. RY ( 9) H 13 456. 0.00001 6.49514 750. RY ( 8) H 15 457. 0.00001 4.71608 751. RY ( 9) H 15 458. 0.00002 2.46527 1005. RY (18) S 22 459. 0.00001 4.98007 837. RY ( 8) H 18 460. 0.00002 1.25816 1122. RY (13) S 24 461. 0.00001 2.42460 1188. RY (18) S 25 462. 0.00001 5.19809 721. RY ( 8) H 14 463. 0.00001 4.23896 333. RY (19) C 5 464. 0.00001 4.28805 437. RY (19) C 7 465. 0.00001 4.64447 488. RY (18) C 8 466. 0.00001 5.28427 779. RY ( 8) H 16 467. 0.00001 5.25967 838. RY ( 9) H 18 468. 0.00001 5.61810 540. RY (18) C 9 469. 0.00001 5.10579 125. RY (19) C 1 470. 0.00001 5.03957 177. RY (19) C 2 471. 0.00001 4.77142 126. RY (20) C 1 472. 0.00001 4.10080 229. RY (19) C 3 473. 0.00001 4.38791 230. RY (20) C 3 474. 0.00001 4.80488 280. RY (18) C 4 475. 0.00001 3.60948 281. RY (19) C 4 476. 0.00001 3.91739 282. RY (20) C 4 477. 0.00001 4.55530 334. RY (20) C 5 478. 0.00001 3.41069 385. RY (19) C 6 479. 0.00001 3.98580 489. RY (19) C 8 480. 0.00001 2.96885 541. RY (19) C 9 481. 0.00001 5.20756 127. RY (21) C 1 482. 0.00001 5.07659 178. RY (20) C 2 483. 0.00001 5.56410 179. RY (21) C 2 484. 0.00001 4.13010 180. RY (22) C 2 485. 0.00001 5.86635 231. RY (21) C 3 486. 0.00001 5.10204 283. RY (21) C 4 487. 0.00000 6.08642 128. RY (22) C 1 488. 0.00000 8.04265 129. RY (23) C 1 489. 0.00000 6.15864 130. RY (24) C 1 490. 0.00000 4.82076 131. RY (25) C 1 491. 0.00000 4.96679 132. RY (26) C 1 492. 0.00000 5.96388 133. RY (27) C 1 493. 0.00000 6.14409 134. RY (28) C 1 494. 0.00000 5.26781 135. RY (29) C 1 495. 0.00000 4.56750 136. RY (30) C 1 496. 0.00000 5.63816 137. RY (31) C 1 497. 0.00000 4.43959 138. RY (32) C 1 498. 0.00000 5.47864 139. RY (33) C 1 499. 0.00000 4.84186 140. RY (34) C 1 500. 0.00000 4.57580 232. RY (22) C 3 501. 0.00001 4.65613 233. RY (23) C 3 502. 0.00000 108.38638 141. RY (35) C 1 503. 0.00000 9.96707 142. RY (36) C 1 504. 0.00000 6.33680 143. RY (37) C 1 505. 0.00000 12.20666 144. RY (38) C 1 506. 0.00000 7.23806 145. RY (39) C 1 507. 0.00000 8.13063 146. RY (40) C 1 508. 0.00000 7.56945 147. RY (41) C 1 509. 0.00000 8.73838 148. RY (42) C 1 510. 0.00000 9.73751 149. RY (43) C 1 511. 0.00000 12.43118 150. RY (44) C 1 512. 0.00000 11.41629 151. RY (45) C 1 513. 0.00000 6.59180 152. RY (46) C 1 514. 0.00000 6.45427 153. RY (47) C 1 515. 0.00000 7.88394 154. RY (48) C 1 516. 0.00000 7.41628 155. RY (49) C 1 517. 0.00000 6.06241 156. RY (50) C 1 518. 0.00000 6.87582 157. RY (51) C 1 519. 0.00000 6.41034 158. RY (52) C 1 520. 0.00000 6.33909 181. RY (23) C 2 521. 0.00000 6.14478 182. RY (24) C 2 522. 0.00000 6.04365 183. RY (25) C 2 523. 0.00000 5.66669 184. RY (26) C 2 524. 0.00000 5.32185 185. RY (27) C 2 525. 0.00000 4.72836 186. RY (28) C 2 526. 0.00000 5.62559 187. RY (29) C 2 527. 0.00000 5.08003 188. RY (30) C 2 528. 0.00000 5.17300 189. RY (31) C 2 529. 0.00000 5.48594 190. RY (32) C 2 530. 0.00000 5.35107 191. RY (33) C 2 531. 0.00000 5.72016 192. RY (34) C 2 532. 0.00000 56.95062 193. RY (35) C 2 533. 0.00000 38.31403 194. RY (36) C 2 534. 0.00000 21.08884 195. RY (37) C 2 535. 0.00000 7.08198 196. RY (38) C 2 536. 0.00000 8.92046 197. RY (39) C 2 537. 0.00000 12.79209 198. RY (40) C 2 538. 0.00000 9.64187 199. RY (41) C 2 539. 0.00000 14.64608 200. RY (42) C 2 540. 0.00000 10.82856 201. RY (43) C 2 541. 0.00000 7.16614 202. RY (44) C 2 542. 0.00000 7.57788 203. RY (45) C 2 543. 0.00000 8.19935 204. RY (46) C 2 544. 0.00000 7.19391 205. RY (47) C 2 545. 0.00000 6.80773 206. RY (48) C 2 546. 0.00000 7.71910 207. RY (49) C 2 547. 0.00000 7.87310 208. RY (50) C 2 548. 0.00000 8.96212 209. RY (51) C 2 549. 0.00000 8.20683 210. RY (52) C 2 550. 0.00000 6.07435 234. RY (24) C 3 551. 0.00000 6.08151 235. RY (25) C 3 552. 0.00000 5.95318 236. RY (26) C 3 553. 0.00000 5.27654 237. RY (27) C 3 554. 0.00000 5.84419 238. RY (28) C 3 555. 0.00000 5.98008 239. RY (29) C 3 556. 0.00000 5.22201 240. RY (30) C 3 557. 0.00000 5.92007 241. 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RY (21) H 17 965. 0.00000 7.76661 822. RY (22) H 17 966. 0.00000 7.02460 823. RY (23) H 17 967. 0.00000 9.13735 824. RY (24) H 17 968. 0.00000 8.39248 825. RY (25) H 17 969. 0.00000 7.46674 826. RY (26) H 17 970. 0.00000 7.84081 827. RY (27) H 17 971. 0.00000 8.14891 828. RY (28) H 17 972. 0.00000 7.17346 829. RY (29) H 17 973. 0.00000 7.68868 842. RY (13) H 18 974. 0.00000 7.21250 843. RY (14) H 18 975. 0.00000 7.70856 844. RY (15) H 18 976. 0.00000 7.38714 845. RY (16) H 18 977. 0.00000 7.05696 846. RY (17) H 18 978. 0.00000 7.23551 847. RY (18) H 18 979. 0.00000 6.25836 848. RY (19) H 18 980. 0.00000 5.10297 849. RY (20) H 18 981. 0.00000 9.12075 850. RY (21) H 18 982. 0.00000 8.95992 851. RY (22) H 18 983. 0.00000 8.59059 852. RY (23) H 18 984. 0.00000 8.43222 853. RY (24) H 18 985. 0.00000 8.11237 854. RY (25) H 18 986. 0.00000 8.48131 855. RY (26) H 18 987. 0.00000 7.40840 856. RY (27) H 18 988. 0.00000 7.14382 857. RY (28) H 18 989. 0.00000 7.27100 858. RY (29) H 18 990. 0.00000 8.15197 870. RY (12) H 19 991. 0.00000 7.53965 871. RY (13) H 19 992. 0.00000 6.95831 872. RY (14) H 19 993. 0.00000 7.11833 873. RY (15) H 19 994. 0.00000 6.37868 874. RY (16) H 19 995. 0.00000 6.82992 875. RY (17) H 19 996. 0.00000 5.79974 876. RY (18) H 19 997. 0.00000 10.23778 877. RY (19) H 19 998. 0.00000 7.32592 878. RY (20) H 19 999. 0.00000 5.30305 879. RY (21) H 19 1000. 0.00000 5.72213 899. RY (12) H 20 1001. 0.00000 5.71174 900. RY (13) H 20 1002. 0.00000 2.83994 1009. RY (22) S 22 1003. 0.00001 2.86332 1010. RY (23) S 22 1004. 0.00001 3.20469 1011. RY (24) S 22 1005. 0.00000 3.02589 1064. RY (16) S 23 1006. 0.00001 2.85728 1065. RY (17) S 23 1007. 0.00001 3.21225 1066. RY (18) S 23 1008. 0.00000 4.30856 1125. RY (16) S 24 1009. 0.00000 3.07259 1126. RY (17) S 24 1010. 0.00001 3.83438 1127. RY (18) S 24 1011. 0.00001 2.88540 1128. RY (19) S 24 1012. 0.00001 3.23233 1191. RY (21) S 25 1013. 0.00001 2.51412 1192. RY (22) S 25 1014. 0.00000 8.82794 880. RY (22) H 19 1015. 0.00000 8.60566 881. RY (23) H 19 1016. 0.00000 9.24313 882. RY (24) H 19 1017. 0.00000 9.23840 883. RY (25) H 19 1018. 0.00000 7.67471 884. RY (26) H 19 1019. 0.00000 6.99061 885. RY (27) H 19 1020. 0.00000 7.37914 886. RY (28) H 19 1021. 0.00000 7.64469 887. RY (29) H 19 1022. 0.00000 8.14169 901. RY (14) H 20 1023. 0.00000 7.87220 902. RY (15) H 20 1024. 0.00000 6.55826 903. RY (16) H 20 1025. 0.00000 7.09269 904. RY (17) H 20 1026. 0.00000 6.82417 905. RY (18) H 20 1027. 0.00000 6.43307 906. RY (19) H 20 1028. 0.00000 5.90405 907. RY (20) H 20 1029. 0.00000 10.95548 908. RY (21) H 20 1030. 0.00000 8.59087 909. RY (22) H 20 1031. 0.00000 8.72056 910. RY (23) H 20 1032. 0.00000 9.23463 911. RY (24) H 20 1033. 0.00000 9.23409 912. RY (25) H 20 1034. 0.00000 7.49601 913. RY (26) H 20 1035. 0.00000 6.93422 914. RY (27) H 20 1036. 0.00000 6.89025 915. RY (28) H 20 1037. 0.00000 8.61285 916. RY (29) H 20 1038. 0.00000 32.01464 955. RY (39)Mo 21 1039. 0.00000 11.94614 956. RY (40)Mo 21 1040. 0.00000 4.47691 957. RY (41)Mo 21 1041. 0.00000 24.32109 958. RY (42)Mo 21 1042. 0.00000 5.67137 959. RY (43)Mo 21 1043. 0.00000 3.44556 960. RY (44)Mo 21 1044. 0.00000 4.31506 961. RY (45)Mo 21 1045. 0.00000 8.02236 962. RY (46)Mo 21 1046. 0.00000 4.63582 963. RY (47)Mo 21 1047. 0.00000 5.77111 964. RY (48)Mo 21 1048. 0.00000 6.00922 965. RY (49)Mo 21 1049. 0.00000 10.14613 966. RY (50)Mo 21 1050. 0.00000 4.21064 967. RY (51)Mo 21 1051. 0.00000 5.07945 968. RY (52)Mo 21 1052. 0.00000 3.76164 969. RY (53)Mo 21 1053. 0.00000 3.31209 970. RY (54)Mo 21 1054. 0.00000 3.30103 971. RY (55)Mo 21 1055. 0.00000 4.77261 972. RY (56)Mo 21 1056. 0.00000 4.87666 973. RY (57)Mo 21 1057. 0.00000 3.88607 974. RY (58)Mo 21 1058. 0.00000 4.50188 975. RY (59)Mo 21 1059. 0.00000 4.38388 976. RY (60)Mo 21 1060. 0.00000 4.03429 977. RY (61)Mo 21 1061. 0.00000 2.95970 978. RY (62)Mo 21 1062. 0.00000 4.52486 979. RY (63)Mo 21 1063. 0.00000 4.50058 980. RY (64)Mo 21 1064. 0.00000 4.33028 981. RY (65)Mo 21 1065. 0.00000 4.02875 982. RY (66)Mo 21 1066. 0.00000 4.02912 983. RY (67)Mo 21 1067. 0.00000 5.57073 984. RY (68)Mo 21 1068. 0.00000 4.91459 985. RY (69)Mo 21 1069. 0.00000 5.02879 986. RY (70)Mo 21 1070. 0.00000 4.93986 987. RY (71)Mo 21 1071. 0.00000 6.49203 1012. RY (25) S 22 1072. 0.00000 5.16619 1013. RY (26) S 22 1073. 0.00000 4.00889 1014. RY (27) S 22 1074. 0.00000 5.93734 1015. RY (28) S 22 1075. 0.00000 4.75249 1016. RY (29) S 22 1076. 0.00000 4.90835 1017. RY (30) S 22 1077. 0.00000 4.39053 1018. RY (31) S 22 1078. 0.00000 4.14322 1019. RY (32) S 22 1079. 0.00000 3.90439 1020. RY (33) S 22 1080. 0.00000 4.01254 1021. RY (34) S 22 1081. 0.00000 4.22086 1022. RY (35) S 22 1082. 0.00000 3.35482 1023. RY (36) S 22 1083. 0.00000 4.67616 1024. RY (37) S 22 1084. 0.00000 3.34745 1025. RY (38) S 22 1085. 0.00000 5.15600 1026. RY (39) S 22 1086. 0.00000 4.44842 1027. RY (40) S 22 1087. 0.00000 4.09590 1028. RY (41) S 22 1088. 0.00000 3.79980 1029. RY (42) S 22 1089. 0.00000 68.17567 1030. RY (43) S 22 1090. 0.00000 403.40391 1031. RY (44) S 22 1091. 0.00000 30.12988 1032. RY (45) S 22 1092. 0.00000 28.69347 1033. RY (46) S 22 1093. 0.00000 22.27437 1034. RY (47) S 22 1094. 0.00000 15.08766 1035. RY (48) S 22 1095. 0.00000 22.86442 1036. RY (49) S 22 1096. 0.00000 25.34070 1037. RY (50) S 22 1097. 0.00000 7.38043 1038. RY (51) S 22 1098. 0.00000 8.71824 1039. RY (52) S 22 1099. 0.00000 9.18823 1040. RY (53) S 22 1100. 0.00000 5.80556 1041. RY (54) S 22 1101. 0.00000 12.83280 1042. RY (55) S 22 1102. 0.00000 5.34948 1043. RY (56) S 22 1103. 0.00000 4.14114 1044. RY (57) S 22 1104. 0.00000 4.86805 1045. RY (58) S 22 1105. 0.00000 5.62969 1046. RY (59) S 22 1106. 0.00000 4.93850 1047. RY (60) S 22 1107. 0.00000 4.21306 1048. RY (61) S 22 1108. 0.00000 6.05224 1067. RY (19) S 23 1109. 0.00000 4.87026 1068. RY (20) S 23 1110. 0.00000 7.30319 1069. RY (21) S 23 1111. 0.00000 4.94222 1070. RY (22) S 23 1112. 0.00000 4.64697 1071. RY (23) S 23 1113. 0.00000 3.45756 1072. RY (24) S 23 1114. 0.00000 4.08600 1073. RY (25) S 23 1115. 0.00000 4.38127 1074. RY (26) S 23 1116. 0.00000 4.77499 1075. RY (27) S 23 1117. 0.00000 3.93725 1076. RY (28) S 23 1118. 0.00000 4.51314 1077. RY (29) S 23 1119. 0.00000 5.50291 1078. RY (30) S 23 1120. 0.00000 3.98954 1079. RY (31) S 23 1121. 0.00000 4.84177 1080. RY (32) S 23 1122. 0.00000 4.37975 1081. RY (33) S 23 1123. 0.00000 4.93346 1082. RY (34) S 23 1124. 0.00000 5.20014 1083. RY (35) S 23 1125. 0.00000 3.59211 1084. RY (36) S 23 1126. 0.00000 3.95081 1085. RY (37) S 23 1127. 0.00000 4.49001 1086. RY (38) S 23 1128. 0.00000 5.05794 1087. RY (39) S 23 1129. 0.00000 2.95312 1088. RY (40) S 23 1130. 0.00000 3.30119 1089. RY (41) S 23 1131. 0.00000 3.13366 1090. RY (42) S 23 1132. 0.00000 2.80155 1091. RY (43) S 23 1133. 0.00000 5.02579 1092. RY (44) S 23 1134. 0.00000 3.37715 1093. RY (45) S 23 1135. 0.00000 7.22746 1094. RY (46) S 23 1136. 0.00000 3.90450 1095. RY (47) S 23 1137. 0.00000 69.01720 1096. RY (48) S 23 1138. 0.00000 402.20013 1097. RY (49) S 23 1139. 0.00000 21.29567 1098. RY (50) S 23 1140. 0.00000 33.11962 1099. RY (51) S 23 1141. 0.00000 26.73010 1100. RY (52) S 23 1142. 0.00000 24.72249 1101. RY (53) S 23 1143. 0.00000 17.25716 1102. RY (54) S 23 1144. 0.00000 6.26250 1103. RY (55) S 23 1145. 0.00000 6.35498 1104. RY (56) S 23 1146. 0.00000 15.89640 1105. RY (57) S 23 1147. 0.00000 5.52667 1106. RY (58) S 23 1148. 0.00000 5.66950 1107. RY (59) S 23 1149. 0.00000 8.55559 1108. RY (60) S 23 1150. 0.00000 7.86825 1109. RY (61) S 23 1151. 0.00000 5.93330 1129. RY (20) S 24 1152. 0.00000 6.97446 1130. RY (21) S 24 1153. 0.00000 5.15614 1131. RY (22) S 24 1154. 0.00000 5.43135 1132. RY (23) S 24 1155. 0.00000 4.56909 1133. RY (24) S 24 1156. 0.00000 4.08540 1134. RY (25) S 24 1157. 0.00000 4.07031 1135. RY (26) S 24 1158. 0.00000 4.02014 1136. RY (27) S 24 1159. 0.00000 4.07365 1137. RY (28) S 24 1160. 0.00000 4.10423 1138. RY (29) S 24 1161. 0.00000 3.73737 1139. RY (30) S 24 1162. 0.00000 4.30718 1140. RY (31) S 24 1163. 0.00000 5.64192 1141. RY (32) S 24 1164. 0.00000 3.79358 1142. RY (33) S 24 1165. 0.00000 3.84942 1143. RY (34) S 24 1166. 0.00000 5.27771 1144. RY (35) S 24 1167. 0.00000 4.24124 1145. RY (36) S 24 1168. 0.00000 5.34289 1146. RY (37) S 24 1169. 0.00000 4.96296 1147. RY (38) S 24 1170. 0.00000 3.49594 1148. RY (39) S 24 1171. 0.00000 2.51561 1149. RY (40) S 24 1172. 0.00000 3.85932 1150. RY (41) S 24 1173. 0.00000 3.37649 1151. RY (42) S 24 1174. 0.00000 4.12986 1152. RY (43) S 24 1175. 0.00000 3.18428 1153. RY (44) S 24 1176. 0.00000 4.23012 1154. RY (45) S 24 1177. 0.00000 4.25673 1155. RY (46) S 24 1178. 0.00000 4.96616 1156. RY (47) S 24 1179. 0.00000 79.12744 1157. RY (48) S 24 1180. 0.00000 364.55470 1158. RY (49) S 24 1181. 0.00000 39.63799 1159. RY (50) S 24 1182. 0.00000 19.97710 1160. RY (51) S 24 1183. 0.00000 52.36001 1161. RY (52) S 24 1184. 0.00000 11.20587 1162. RY (53) S 24 1185. 0.00000 19.26475 1163. RY (54) S 24 1186. 0.00000 20.74857 1164. RY (55) S 24 1187. 0.00000 11.52558 1165. RY (56) S 24 1188. 0.00000 8.32939 1166. RY (57) S 24 1189. 0.00000 4.28404 1167. RY (58) S 24 1190. 0.00000 6.79067 1168. RY (59) S 24 1191. 0.00000 7.60069 1169. RY (60) S 24 1192. 0.00000 6.98434 1170. RY (61) S 24 1193. 0.00000 6.50199 1193. RY (23) S 25 1194. 0.00000 5.06869 1194. RY (24) S 25 1195. 0.00000 4.23349 1195. RY (25) S 25 1196. 0.00000 4.00553 1196. RY (26) S 25 1197. 0.00000 5.58432 1197. RY (27) S 25 1198. 0.00000 4.34963 1198. RY (28) S 25 1199. 0.00000 3.93775 1199. RY (29) S 25 1200. 0.00000 4.47821 1200. RY (30) S 25 1201. 0.00000 4.72315 1201. RY (31) S 25 1202. 0.00000 4.76603 1202. RY (32) S 25 1203. 0.00000 4.18982 1203. RY (33) S 25 1204. 0.00000 4.95568 1204. RY (34) S 25 1205. 0.00000 2.83424 1205. RY (35) S 25 1206. 0.00000 2.80748 1206. RY (36) S 25 1207. 0.00000 4.75035 1207. RY (37) S 25 1208. 0.00000 4.26897 1208. RY (38) S 25 1209. 0.00000 3.86703 1209. RY (39) S 25 1210. 0.00000 3.88483 1210. RY (40) S 25 1211. 0.00000 3.45452 1211. RY (41) S 25 1212. 0.00000 2.69824 1212. RY (42) S 25 1213. 0.00000 92.49015 1213. RY (43) S 25 1214. 0.00000 387.61289 1214. RY (44) S 25 1215. 0.00000 27.81607 1215. RY (45) S 25 1216. 0.00000 19.68421 1216. RY (46) S 25 1217. 0.00000 20.48017 1217. RY (47) S 25 1218. 0.00000 17.97243 1218. RY (48) S 25 1219. 0.00000 17.81538 1219. RY (49) S 25 1220. 0.00000 16.61801 1220. RY (50) S 25 1221. 0.00000 9.10551 1221. RY (51) S 25 1222. 0.00000 26.87162 1222. RY (52) S 25 1223. 0.00000 5.94846 1223. RY (53) S 25 1224. 0.00000 6.02856 1224. RY (54) S 25 1225. 0.00000 9.36755 1225. RY (55) S 25 1226. 0.00000 6.46179 1226. RY (56) S 25 1227. 0.00000 6.62719 1227. RY (57) S 25 1228. 0.00000 5.00904 1228. RY (58) S 25 1229. 0.00000 4.85739 1229. RY (59) S 25 1230. 0.00000 3.84782 1230. RY (60) S 25 1231. 0.00000 5.46721 1231. RY (61) S 25 Checkpoint orbital transformation(s) sent to host program NBO analysis completed in 224047.09 CPU seconds (33421 wall seconds) Maximum scratch memory used by NBO was 13268960 words (101.23 MB) Maximum scratch memory used by G16NBO was 2289921 words (17.47 MB) Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1664152.pbs-7/Gau-27065.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CPMOTS NAtoms= 25 NBasis= 1231 NBsUse= 1231 ICharg= 0 Multip= 1 NE= 148 Len12L=8 Len4L=8 IOpCl= 0 ICGU=111 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 ALPHA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1231 LenBuf= 4000 NRI=1 N= 1231 ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1515361 LenBuf= 4000 NRI=1 N= 1231 1231 Store file 10524 Len= 1515361. NPA CHARGES NI= 0 NR= 1 NTot= 25 LenBuf= 4000 NRI=1 N= 25 Recovered energy= -2047.94286243 dipole= -3.190521743346 0.230479804355 -0.008000959473 Unable to Open any file for archive entry. 1\1\GINC-CX3-4-13\SP\RMN15L\def2QZVPP\C10H10Mo1S4\RZEPA\06-Feb-2026\0\ \# def2Qzvpp mn15l pop(savenbos,nbo7read)\\CPMOTS\\0,1\C,0,-0.316605,2 .082034,-1.137982\C,0,-1.22664,-1.585874,1.565922\C,0,-0.405181,2.3789 85,0.240283\C,0,-1.674533,1.941641,0.725184\C,0,-2.391474,1.417005,-0. 405559\C,0,-1.535154,1.460248,-1.557526\C,0,-0.46594,-2.180902,0.50380 2\C,0,-1.262661,-2.138449,-0.696315\C,0,-2.469084,-1.478634,-0.382079\ C,0,-2.444433,-1.123878,1.009908\H,0,0.565415,2.23176,-1.753728\H,0,-0 .909778,-1.468018,2.599343\H,0,0.393836,2.805837,0.839754\H,0,-2.04554 8,2.03817,1.742658\H,0,-3.413495,1.047094,-0.387948\H,0,-1.784359,1.14 1325,-2.566699\H,0,0.54473,-2.575492,0.586444\H,0,-0.970971,-2.51474,- 1.671964\H,0,-3.257158,-1.226392,-1.089549\H,0,-3.212653,-0.560791,1.5 37136\Mo,0,-0.672999,0.00857,-0.012038\S,0,1.114175,-0.545698,-1.63841 1\S,0,2.903601,-0.833477,-0.613811\S,0,2.835727,0.747855,0.654743\S,0, 1.115632,0.261835,1.689749\\Version=ES64L-G16RevC.01\State=1-A\HF=-204 7.9428624\RMSD=3.025e-09\Dipole=-3.1905218,0.230479,-0.008001\Quadrupo le=0.0024407,1.848204,-1.8506447,1.1603339,-0.0207499,-0.7208137\PG=C0 1 [X(C10H10Mo1S4)]\\@ The archive entry for this job was punched. SLITHERY-DITHERY FRIEDRICH A. KEKULE DREAMT ON A BUS OF THINGS FREUD WOULD THINK KEEN. MOST OF THE TIME THEY WERE HERPETOLOGICAL BITING THEIR TAILS IN THE SHAPE OF BENZENE. 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 379 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 379 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 379 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 613 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 613 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 613 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1137 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 25 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 70 to matrix element file. Write BOND TYPES from file 0 offset 0 length 70 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 25 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 25 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 25 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 100 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 25 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 25 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 25 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 25 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 25 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 25 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 25 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 75 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 75 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 758296 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 758296 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 758296 length 758296 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 758296 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1515361 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2274888 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 1231 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1515361 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 758296 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 758296 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 758296 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 758296 to matrix element file. No 2e integrals to process. Job cpu time: 47 days 18 hours 47 minutes 20.5 seconds. Elapsed time: 0 days 9 hours 33 minutes 2.1 seconds. File lengths (MBytes): RWF= 896 Int= 0 D2E= 0 Chk= 88 Scr= 16 Normal termination of Gaussian 16 at Fri Feb 6 18:11:24 2026.