Entering Gaussian System, Link 0=g16 Input=CYPTIS5-3227.141839-5,274.62601-3-2.gjf Output=CYPTIS5-3227.141839-5,274.62601-3-2.log Initial command: /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016950.inp" -scrdir="/rds/general/user/rzepa/ephemeral/1700165.pbs-7/" Entering Link 1 = /rds/easybuild/noarch/apps/software/Gaussian/16.C.01-AVX2/g16/l1.exe PID= 1016952. 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 14-Feb-2026 ****************************************** %Chk=checkpoint.chk %NProcShared=128 Will use up to 128 processors via shared memory. %Mem=460800MB ----------------------------------------- # def2qzvpp umn15l 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=-72,116=2/1,2,3; 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; -------- CYPTIS10 -------- Symbolic Z-matrix: Charge = -1 Multiplicity = 1 C -0.81936 2.08983 -1.50985 C -2.1175 2.10103 -0.93696 C -1.97771 2.31995 0.46511 C -0.59271 2.45211 0.74925 C 0.12331 2.3039 -0.46666 C -1.72793 -2.33044 0.40948 C -2.25988 -1.96207 -0.855 C -3.20667 -0.92259 -0.65053 C -3.26653 -0.65276 0.74527 C -2.35459 -1.52502 1.39953 H -0.57913 1.91266 -2.55807 H -3.05569 1.94962 -1.46928 H -2.79017 2.37052 1.18925 H -0.1478 2.59526 1.73359 H 1.20481 2.32448 -0.57543 H -0.93997 -3.06252 0.58432 H -1.97348 -2.38804 -1.81683 H -3.78315 -0.42131 -1.42656 H -3.8941 0.09648 1.22584 H -2.14977 -1.55367 2.47024 S 0.60924 -1.09856 -1.77121 S 2.39863 -0.09305 -1.68379 S 3.26073 -0.59415 0.10848 S 2.35815 0.49568 1.59498 S 0.6019 -0.47268 2.03989 Sc -0.96915 0.05414 -0.00326 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 -0.819358 2.089826 -1.509853 2 6 0 -2.117499 2.101032 -0.936962 3 6 0 -1.977713 2.319946 0.465113 4 6 0 -0.592712 2.452113 0.749252 5 6 0 0.123308 2.303900 -0.466664 6 6 0 -1.727933 -2.330438 0.409484 7 6 0 -2.259877 -1.962072 -0.855004 8 6 0 -3.206668 -0.922591 -0.650527 9 6 0 -3.266528 -0.652756 0.745273 10 6 0 -2.354590 -1.525020 1.399525 11 1 0 -0.579131 1.912664 -2.558070 12 1 0 -3.055690 1.949619 -1.469284 13 1 0 -2.790173 2.370524 1.189254 14 1 0 -0.147798 2.595261 1.733594 15 1 0 1.204806 2.324478 -0.575432 16 1 0 -0.939972 -3.062519 0.584315 17 1 0 -1.973484 -2.388035 -1.816829 18 1 0 -3.783147 -0.421312 -1.426563 19 1 0 -3.894103 0.096478 1.225840 20 1 0 -2.149768 -1.553674 2.470240 21 16 0 0.609235 -1.098557 -1.771214 22 16 0 2.398626 -0.093053 -1.683788 23 16 0 3.260731 -0.594146 0.108482 24 16 0 2.358145 0.495678 1.594979 25 16 0 0.601895 -0.472676 2.039893 26 21 0 -0.969153 0.054140 -0.003263 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.418978 0.000000 3 C 2.301137 1.425930 0.000000 4 C 2.299168 2.300337 1.420011 0.000000 5 C 1.422213 2.298598 2.298424 1.418839 0.000000 6 C 4.903886 4.647860 4.657419 4.927166 5.066736 7 C 4.349919 4.066424 4.489767 4.983784 4.901928 8 C 3.938572 3.226551 3.642668 4.492302 4.640344 9 C 4.312307 3.425424 3.252152 4.097502 4.658497 10 C 4.887589 4.320143 3.974786 4.398256 4.927806 11 H 1.089887 2.242777 3.355823 3.351055 2.240639 12 H 2.241090 1.089263 2.245232 3.352710 3.352132 13 H 3.353816 2.246310 1.089509 2.242564 3.351846 14 H 3.350583 3.354974 2.243531 1.089665 2.235962 15 H 2.241750 3.349379 3.348310 2.236549 1.087148 16 H 5.562980 5.510273 5.482887 5.528016 5.570779 17 H 4.634380 4.576749 5.231860 5.649631 5.313543 18 H 3.885460 3.062076 3.788473 4.813483 4.858866 19 H 4.572910 3.442713 3.032337 4.083544 4.886397 20 H 5.557538 4.996693 4.365211 4.629530 5.354732 21 S 3.503566 4.285840 4.835248 4.517154 3.676233 22 S 3.892382 5.076135 5.439916 4.620136 3.521909 23 S 5.144885 6.105923 6.005032 4.953716 4.309627 24 S 4.719938 5.386954 4.837790 3.640117 3.537589 25 S 4.602942 4.783382 4.114978 3.412804 3.771107 26 Sc 2.536980 2.525918 2.523974 2.541311 2.543547 6 7 8 9 10 6 C 0.000000 7 C 1.420418 0.000000 8 C 2.300503 1.420825 0.000000 9 C 2.301010 2.299683 1.422903 0.000000 10 C 1.421822 2.298453 2.300363 1.421450 0.000000 11 H 5.303776 4.554000 4.310608 4.971474 5.534662 12 H 4.859176 4.038810 2.990443 3.423605 4.560123 13 H 4.882155 4.819916 3.795111 3.092613 3.925457 14 H 5.339720 5.650752 5.236029 4.610083 4.685963 15 H 5.589209 5.518759 5.478157 5.531818 5.602534 16 H 1.089675 2.241600 3.352915 3.353465 2.242680 17 H 2.240554 1.090217 2.242438 3.353733 3.351861 18 H 3.352571 2.240753 1.088963 2.244400 3.353464 19 H 3.353901 3.352348 2.243172 1.089104 2.242660 20 H 2.242325 3.352038 3.354771 2.243728 1.090506 21 S 3.425687 3.133194 3.980957 4.642519 4.361160 22 S 5.139666 5.087412 5.759781 6.189311 5.843835 23 S 5.290754 5.768591 6.520063 6.558510 5.836536 24 S 5.107677 5.776598 6.166111 5.803262 5.131403 25 S 3.396706 4.334567 4.684649 4.083279 3.202859 26 Sc 2.536202 2.540973 2.525753 2.517527 2.526063 11 12 13 14 15 11 H 0.000000 12 H 2.705580 0.000000 13 H 4.375018 2.704715 0.000000 14 H 4.366963 4.373913 2.707205 0.000000 15 H 2.698680 4.369361 4.367619 2.689696 0.000000 16 H 5.895527 5.815072 5.771235 5.827423 5.913106 17 H 4.581449 4.484105 5.687477 6.385286 5.818107 18 H 4.122314 2.480390 3.952574 5.683491 5.757036 19 H 5.348415 3.376501 2.528099 4.531725 5.848712 20 H 6.306053 5.349169 4.177364 4.665211 5.964004 21 S 3.331487 4.776423 5.688134 5.147919 3.674475 22 S 3.695173 5.828214 6.422400 5.038830 2.915153 23 S 5.304633 6.989797 6.824278 4.942811 3.634960 24 S 5.280460 6.388526 5.494073 3.272188 3.063557 25 S 5.312808 5.617808 4.507050 3.173026 3.876532 26 Sc 3.183279 3.177372 3.178655 3.185686 3.194982 16 17 18 19 20 16 H 0.000000 17 H 2.699735 0.000000 18 H 4.370726 2.700960 0.000000 19 H 4.372380 4.372576 2.704748 0.000000 20 H 2.701284 4.371063 4.374385 2.704485 0.000000 21 S 3.435943 2.887087 4.457630 5.539900 5.080272 22 S 5.010814 4.939634 6.195824 6.935438 6.330660 23 S 4.895425 5.858487 7.211273 7.274414 5.980978 24 S 4.955783 6.222479 6.905509 6.275845 5.028638 25 S 3.347140 5.017517 5.589951 4.604413 2.987542 26 Sc 3.171697 3.203423 3.189106 3.172983 3.177599 21 22 23 24 25 21 S 0.000000 22 S 2.054410 0.000000 23 S 3.289091 2.050988 0.000000 24 S 4.114794 3.331450 2.052328 0.000000 25 S 3.862165 4.151886 3.288543 2.054281 0.000000 26 Sc 2.635464 3.766665 4.280734 3.717559 2.630630 26 26 Sc 0.000000 Stoichiometry C10H10S5Sc(1-) Framework group C1[X(C10H10S5Sc)] Deg. of freedom 72 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 -0.819358 2.089826 -1.509853 2 6 0 -2.117499 2.101032 -0.936962 3 6 0 -1.977713 2.319946 0.465113 4 6 0 -0.592712 2.452113 0.749252 5 6 0 0.123308 2.303900 -0.466664 6 6 0 -1.727933 -2.330438 0.409484 7 6 0 -2.259877 -1.962072 -0.855004 8 6 0 -3.206668 -0.922591 -0.650527 9 6 0 -3.266528 -0.652756 0.745273 10 6 0 -2.354590 -1.525020 1.399525 11 1 0 -0.579131 1.912664 -2.558070 12 1 0 -3.055690 1.949619 -1.469284 13 1 0 -2.790173 2.370524 1.189254 14 1 0 -0.147798 2.595261 1.733594 15 1 0 1.204806 2.324478 -0.575432 16 1 0 -0.939972 -3.062519 0.584315 17 1 0 -1.973484 -2.388035 -1.816829 18 1 0 -3.783147 -0.421312 -1.426563 19 1 0 -3.894103 0.096478 1.225840 20 1 0 -2.149768 -1.553674 2.470240 21 16 0 0.609235 -1.098557 -1.771214 22 16 0 2.398626 -0.093053 -1.683788 23 16 0 3.260731 -0.594146 0.108482 24 16 0 2.358145 0.495678 1.594979 25 16 0 0.601895 -0.472676 2.039893 26 21 0 -0.969153 0.054140 -0.003263 --------------------------------------------------------------------- Rotational constants (GHZ): 0.4605208 0.2685879 0.2629098 Standard basis: def2QZVPP (5D, 7F) There are 1619 symmetry adapted cartesian basis functions of A symmetry. There are 1313 symmetry adapted basis functions of A symmetry. 1313 basis functions, 2097 primitive gaussians, 1619 cartesian basis functions 86 alpha electrons 86 beta electrons nuclear repulsion energy 2147.8444303371 Hartrees. NAtoms= 26 NActive= 26 NUniq= 26 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= 83028 NPrTT= 233173 LenC2= 72281 LenP2D= 145400. LDataN: DoStor=T MaxTD1= 8 Len= 415 NBasis= 1313 RedAO= T EigKep= 1.12D-05 NBF= 1313 NBsUse= 1313 1.00D-06 EigRej= -1.00D+00 NBFU= 1313 ExpMin= 2.30D-02 ExpMax= 2.86D+06 ExpMxC= 3.22D+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 FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=T BraDBF=F KetDBF=T FulRan=T wScrn= 0.000000 ICntrl= 500 IOpCl= 0 I1Cent= 200000004 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Initial guess = 0.0000 = 0.0000 = 0.0000 =-0.0000 S=-0.0000 Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. EnCoef did 100 forward-backward iterations SCF Done: E(UMN15L) = -3139.04114620 A.U. after 18 cycles NFock= 18 Conv=0.41D-08 -V/T= 2.0012 = 0.0000 = 0.0000 = 0.0000 =-0.0000 S=-0.0000 = 0.00000000000 Annihilation of the first spin contaminant: S**2 before annihilation -0.0000, after 0.0000 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Alpha Orbitals: Occupied (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) Virtual (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) 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(A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) The electronic state is 1-A. Alpha occ. eigenvalues -- -161.28951 -88.53425 -88.53060 -88.52988 -88.47015 Alpha occ. eigenvalues -- -88.46995 -17.39854 -14.38020 -14.38006 -14.37968 Alpha occ. eigenvalues -- -10.07833 -10.07791 -10.07687 -10.07640 -10.07246 Alpha occ. eigenvalues -- -10.07136 -10.07133 -10.06924 -10.06817 -10.06044 Alpha occ. eigenvalues -- -7.83512 -7.83105 -7.83040 -7.77431 -7.77405 Alpha occ. eigenvalues -- -5.77537 -5.77150 -5.77106 -5.77082 -5.76685 Alpha occ. eigenvalues -- -5.76618 -5.76343 -5.75923 -5.75857 -5.71589 Alpha occ. eigenvalues -- -5.71565 -5.70566 -5.70542 -5.70515 -5.70487 Alpha occ. eigenvalues -- -1.96658 -1.15151 -1.14814 -1.14802 -0.76647 Alpha occ. eigenvalues -- -0.75759 -0.68149 -0.62017 -0.59277 -0.59264 Alpha occ. eigenvalues -- -0.58536 -0.58286 -0.54465 -0.46205 -0.42094 Alpha occ. eigenvalues -- -0.41701 -0.41071 -0.40814 -0.40204 -0.39305 Alpha occ. eigenvalues -- -0.38512 -0.27469 -0.27154 -0.26265 -0.26151 Alpha occ. eigenvalues -- -0.25411 -0.25367 -0.24416 -0.24344 -0.24305 Alpha occ. eigenvalues -- -0.23927 -0.23430 -0.23107 -0.22837 -0.19869 Alpha occ. eigenvalues -- -0.16606 -0.16282 -0.12870 -0.11542 -0.11355 Alpha occ. eigenvalues -- -0.11178 -0.10074 -0.08944 -0.07786 -0.06769 Alpha occ. eigenvalues -- -0.06394 Alpha virt. eigenvalues -- 0.05809 0.07227 0.07457 0.08112 0.08810 Alpha virt. eigenvalues -- 0.08977 0.09267 0.09951 0.10547 0.10777 Alpha virt. eigenvalues -- 0.11317 0.12003 0.12208 0.13213 0.13260 Alpha virt. eigenvalues -- 0.13547 0.14222 0.14768 0.15526 0.15922 Alpha virt. eigenvalues -- 0.16140 0.16516 0.17537 0.17775 0.19339 Alpha virt. eigenvalues -- 0.19829 0.19996 0.20462 0.20883 0.21259 Alpha virt. eigenvalues -- 0.21654 0.21864 0.22313 0.22464 0.23212 Alpha virt. eigenvalues -- 0.23634 0.24043 0.24686 0.24988 0.25136 Alpha virt. eigenvalues -- 0.25542 0.25551 0.26074 0.26523 0.26892 Alpha virt. eigenvalues -- 0.27316 0.28249 0.28820 0.29554 0.29885 Alpha virt. eigenvalues -- 0.30072 0.30453 0.30673 0.30990 0.31103 Alpha virt. eigenvalues -- 0.31282 0.31500 0.32064 0.32304 0.32426 Alpha virt. eigenvalues -- 0.32877 0.33973 0.34137 0.34226 0.34552 Alpha virt. eigenvalues -- 0.34871 0.35638 0.35996 0.36142 0.36973 Alpha virt. eigenvalues -- 0.37372 0.38418 0.38637 0.39159 0.39358 Alpha virt. eigenvalues -- 0.39479 0.39831 0.40062 0.41164 0.41639 Alpha virt. eigenvalues -- 0.42022 0.42242 0.42514 0.43054 0.43536 Alpha virt. eigenvalues -- 0.44131 0.44648 0.44784 0.45250 0.45775 Alpha virt. eigenvalues -- 0.46296 0.47386 0.47662 0.48162 0.48806 Alpha virt. eigenvalues -- 0.49701 0.50055 0.50291 0.51064 0.51609 Alpha virt. eigenvalues -- 0.51865 0.52024 0.52899 0.53486 0.53798 Alpha virt. eigenvalues -- 0.54020 0.54365 0.54889 0.55625 0.56414 Alpha virt. eigenvalues -- 0.56520 0.57234 0.57817 0.58042 0.58379 Alpha virt. eigenvalues -- 0.58660 0.59101 0.59355 0.59693 0.60181 Alpha virt. eigenvalues -- 0.60298 0.60522 0.60766 0.60881 0.61304 Alpha virt. eigenvalues -- 0.61637 0.62244 0.62849 0.63731 0.64280 Alpha virt. eigenvalues -- 0.64424 0.64538 0.64875 0.65554 0.65944 Alpha virt. eigenvalues -- 0.66542 0.67204 0.67419 0.67893 0.68696 Alpha virt. eigenvalues -- 0.69621 0.69946 0.70230 0.71171 0.71268 Alpha virt. eigenvalues -- 0.71951 0.72797 0.72868 0.74374 0.75692 Alpha virt. eigenvalues -- 0.75880 0.76399 0.77075 0.77754 0.79355 Alpha virt. eigenvalues -- 0.79738 0.80823 0.82165 0.83029 0.83209 Alpha virt. eigenvalues -- 0.84452 0.84583 0.84853 0.85547 0.86297 Alpha virt. eigenvalues -- 0.86592 0.87605 0.88631 0.89578 0.90073 Alpha virt. eigenvalues -- 0.90511 0.90748 0.91407 0.92382 0.92573 Alpha virt. eigenvalues -- 0.93523 0.94095 0.94650 0.95120 0.95467 Alpha virt. eigenvalues -- 0.95810 0.96174 0.96871 0.97205 0.97382 Alpha virt. eigenvalues -- 0.98013 0.98773 0.98918 0.99256 0.99810 Alpha virt. eigenvalues -- 1.00585 1.01096 1.01834 1.02334 1.02880 Alpha virt. eigenvalues -- 1.03591 1.03882 1.04975 1.05226 1.05871 Alpha virt. eigenvalues -- 1.06067 1.07049 1.07381 1.08049 1.08922 Alpha virt. eigenvalues -- 1.09431 1.10083 1.10528 1.10803 1.11816 Alpha virt. eigenvalues -- 1.11992 1.12284 1.12948 1.13225 1.13515 Alpha virt. eigenvalues -- 1.14261 1.14524 1.15049 1.15865 1.16516 Alpha virt. eigenvalues -- 1.16937 1.17419 1.18173 1.19203 1.19435 Alpha virt. eigenvalues -- 1.19709 1.19744 1.20199 1.20344 1.21464 Alpha virt. eigenvalues -- 1.21777 1.22354 1.23212 1.23468 1.23976 Alpha virt. eigenvalues -- 1.24530 1.25132 1.25192 1.26080 1.26169 Alpha virt. eigenvalues -- 1.26629 1.26797 1.27023 1.27511 1.27850 Alpha virt. eigenvalues -- 1.28004 1.28905 1.29399 1.29787 1.30057 Alpha virt. eigenvalues -- 1.30598 1.31074 1.31357 1.31690 1.32728 Alpha virt. eigenvalues -- 1.32876 1.33117 1.33223 1.33670 1.34276 Alpha virt. eigenvalues -- 1.34433 1.35148 1.35696 1.35826 1.36136 Alpha virt. eigenvalues -- 1.37573 1.38427 1.38711 1.39039 1.39457 Alpha virt. eigenvalues -- 1.39834 1.40455 1.41583 1.42181 1.42568 Alpha virt. eigenvalues -- 1.43179 1.43916 1.44315 1.45001 1.45638 Alpha virt. eigenvalues -- 1.46042 1.46818 1.47197 1.47377 1.47935 Alpha virt. eigenvalues -- 1.49364 1.50604 1.51365 1.52229 1.52614 Alpha virt. eigenvalues -- 1.53000 1.53792 1.54796 1.55821 1.56076 Alpha virt. eigenvalues -- 1.56212 1.56503 1.57322 1.57891 1.58554 Alpha virt. eigenvalues -- 1.59139 1.59222 1.60130 1.60832 1.61375 Alpha virt. eigenvalues -- 1.61522 1.61880 1.63210 1.63989 1.64802 Alpha virt. eigenvalues -- 1.65361 1.65874 1.66905 1.67699 1.68180 Alpha virt. eigenvalues -- 1.69348 1.69682 1.70475 1.71343 1.72038 Alpha virt. eigenvalues -- 1.72378 1.72949 1.73294 1.73734 1.74524 Alpha virt. eigenvalues -- 1.75291 1.76029 1.76564 1.77160 1.77872 Alpha virt. eigenvalues -- 1.78924 1.79503 1.79830 1.80621 1.81451 Alpha virt. eigenvalues -- 1.82023 1.83479 1.84300 1.85056 1.86150 Alpha virt. eigenvalues -- 1.87164 1.87371 1.88220 1.89343 1.90561 Alpha virt. eigenvalues -- 1.91303 1.91676 1.92561 1.93815 1.94431 Alpha virt. eigenvalues -- 1.95565 1.96836 1.98646 1.99275 1.99974 Alpha virt. eigenvalues -- 2.00590 2.01118 2.01971 2.02396 2.02850 Alpha virt. eigenvalues -- 2.03926 2.04369 2.05179 2.05578 2.05967 Alpha virt. eigenvalues -- 2.06722 2.07049 2.08999 2.09413 2.10550 Alpha virt. eigenvalues -- 2.10784 2.11492 2.11701 2.12671 2.12808 Alpha virt. eigenvalues -- 2.13352 2.13727 2.14462 2.14744 2.15140 Alpha virt. eigenvalues -- 2.16270 2.16507 2.16569 2.17203 2.18685 Alpha virt. eigenvalues -- 2.19646 2.20009 2.20499 2.21718 2.22232 Alpha virt. eigenvalues -- 2.22975 2.23269 2.25607 2.25993 2.26368 Alpha virt. eigenvalues -- 2.26556 2.28188 2.29012 2.30399 2.30801 Alpha virt. eigenvalues -- 2.32179 2.32802 2.34057 2.35747 2.36749 Alpha virt. eigenvalues -- 2.37671 2.38668 2.39118 2.39535 2.40099 Alpha virt. eigenvalues -- 2.40773 2.41848 2.42443 2.43124 2.43584 Alpha virt. eigenvalues -- 2.44681 2.45671 2.46798 2.47072 2.47398 Alpha virt. eigenvalues -- 2.48076 2.49234 2.50030 2.51149 2.51957 Alpha virt. eigenvalues -- 2.52226 2.53642 2.54499 2.54861 2.55756 Alpha virt. eigenvalues -- 2.56374 2.56896 2.59057 2.60398 2.61085 Alpha virt. eigenvalues -- 2.61267 2.62321 2.63622 2.64299 2.65228 Alpha virt. eigenvalues -- 2.65598 2.66303 2.67149 2.67634 2.68640 Alpha virt. eigenvalues -- 2.68836 2.69644 2.70635 2.71040 2.72110 Alpha virt. eigenvalues -- 2.72823 2.73525 2.74762 2.75321 2.76433 Alpha virt. eigenvalues -- 2.76774 2.77919 2.78448 2.78985 2.79721 Alpha virt. eigenvalues -- 2.80274 2.82228 2.83529 2.84380 2.85116 Alpha virt. eigenvalues -- 2.86572 2.87486 2.87769 2.88188 2.88500 Alpha virt. eigenvalues -- 2.88650 2.89720 2.90205 2.91408 2.91748 Alpha virt. eigenvalues -- 2.92105 2.92688 2.92881 2.93582 2.93904 Alpha virt. eigenvalues -- 2.94363 2.95247 2.96049 2.96457 2.96956 Alpha virt. eigenvalues -- 2.97560 2.97891 2.98316 2.98961 2.99797 Alpha virt. eigenvalues -- 3.00305 3.01054 3.01575 3.02638 3.02952 Alpha virt. eigenvalues -- 3.03906 3.04267 3.04380 3.04689 3.04930 Alpha virt. eigenvalues -- 3.05750 3.06279 3.06805 3.07122 3.08097 Alpha virt. eigenvalues -- 3.08202 3.08986 3.09283 3.11260 3.11372 Alpha virt. eigenvalues -- 3.11920 3.12372 3.12700 3.13605 3.14084 Alpha virt. eigenvalues -- 3.15021 3.15608 3.15890 3.16518 3.16739 Alpha virt. eigenvalues -- 3.17304 3.17517 3.17970 3.18486 3.18981 Alpha virt. eigenvalues -- 3.19332 3.19636 3.20076 3.20380 3.21234 Alpha virt. eigenvalues -- 3.21600 3.22094 3.22770 3.23172 3.23953 Alpha virt. eigenvalues -- 3.24027 3.24326 3.24683 3.24954 3.25430 Alpha virt. eigenvalues -- 3.26091 3.26529 3.27161 3.27797 3.28639 Alpha virt. eigenvalues -- 3.29442 3.29995 3.30444 3.30602 3.30760 Alpha virt. eigenvalues -- 3.31660 3.32219 3.32658 3.33386 3.33475 Alpha virt. eigenvalues -- 3.34491 3.34943 3.35486 3.35812 3.36221 Alpha virt. eigenvalues -- 3.36610 3.37216 3.38279 3.38481 3.40493 Alpha virt. eigenvalues -- 3.40641 3.41176 3.42501 3.42666 3.43221 Alpha virt. eigenvalues -- 3.43808 3.44789 3.45129 3.45561 3.46058 Alpha virt. eigenvalues -- 3.46395 3.47410 3.48505 3.49361 3.49894 Alpha virt. eigenvalues -- 3.50827 3.51199 3.51582 3.52647 3.53865 Alpha virt. eigenvalues -- 3.54422 3.55870 3.56174 3.56265 3.57257 Alpha virt. eigenvalues -- 3.57793 3.59036 3.59611 3.60007 3.60835 Alpha virt. eigenvalues -- 3.61655 3.62143 3.63034 3.63393 3.64217 Alpha virt. eigenvalues -- 3.65006 3.65899 3.66214 3.66648 3.67346 Alpha virt. eigenvalues -- 3.68070 3.68613 3.69482 3.71031 3.71944 Alpha virt. eigenvalues -- 3.72268 3.72751 3.73879 3.75157 3.76073 Alpha virt. eigenvalues -- 3.76792 3.77908 3.78641 3.79035 3.79660 Alpha virt. eigenvalues -- 3.80458 3.81120 3.81646 3.83003 3.83832 Alpha virt. eigenvalues -- 3.84127 3.85715 3.86094 3.87396 3.88796 Alpha virt. eigenvalues -- 3.89565 3.90859 3.91039 3.91535 3.91725 Alpha virt. eigenvalues -- 3.92707 3.93249 3.94089 3.94525 3.94970 Alpha virt. eigenvalues -- 3.95612 3.96014 3.96608 3.97236 3.98304 Alpha virt. eigenvalues -- 3.98765 3.99699 4.00018 4.00587 4.01266 Alpha virt. eigenvalues -- 4.02744 4.03118 4.03246 4.04603 4.05247 Alpha virt. eigenvalues -- 4.06526 4.07329 4.07991 4.09294 4.09846 Alpha virt. eigenvalues -- 4.10542 4.11301 4.12225 4.12851 4.13750 Alpha virt. eigenvalues -- 4.14264 4.15266 4.16278 4.16535 4.17596 Alpha virt. eigenvalues -- 4.18287 4.18842 4.19423 4.20029 4.20893 Alpha virt. eigenvalues -- 4.21195 4.22451 4.23104 4.23535 4.24691 Alpha virt. eigenvalues -- 4.25523 4.27298 4.28248 4.28644 4.28762 Alpha virt. eigenvalues -- 4.29090 4.29641 4.31059 4.31542 4.31873 Alpha virt. eigenvalues -- 4.32331 4.32507 4.33831 4.34389 4.34982 Alpha virt. eigenvalues -- 4.36445 4.38223 4.39231 4.40690 4.42056 Alpha virt. eigenvalues -- 4.45430 4.46415 4.48223 4.49564 4.51114 Alpha virt. eigenvalues -- 4.54257 4.55093 4.56482 4.58062 4.59669 Alpha virt. eigenvalues -- 4.61736 4.62504 4.64996 4.66238 4.67655 Alpha virt. eigenvalues -- 4.69679 4.71097 4.73076 4.74581 4.77647 Alpha virt. eigenvalues -- 4.79438 4.80438 4.81180 4.82040 4.83831 Alpha virt. eigenvalues -- 4.85738 4.87178 4.87806 4.88897 4.89068 Alpha virt. eigenvalues -- 4.90268 4.92452 4.92821 4.93485 4.95925 Alpha virt. eigenvalues -- 4.97169 5.01162 5.01774 5.02955 5.03829 Alpha virt. eigenvalues -- 5.05657 5.09550 5.09956 5.14288 5.14839 Alpha virt. eigenvalues -- 5.15176 5.15775 5.16225 5.16865 5.20539 Alpha virt. eigenvalues -- 5.24525 5.27605 5.28509 5.33401 5.35893 Alpha virt. eigenvalues -- 5.36151 5.37737 5.40237 5.41765 5.43013 Alpha virt. eigenvalues -- 5.46108 5.47187 5.49552 5.54426 5.55437 Alpha virt. eigenvalues -- 5.58685 5.59590 5.59796 5.60752 5.62196 Alpha virt. eigenvalues -- 5.62991 5.63618 5.64023 5.65283 5.66139 Alpha virt. eigenvalues -- 5.66733 5.67180 5.67509 5.67838 5.69303 Alpha virt. eigenvalues -- 5.70623 5.71406 5.72650 5.74002 5.74441 Alpha virt. eigenvalues -- 5.77538 5.78069 5.79440 5.80096 5.86454 Alpha virt. eigenvalues -- 5.86793 5.89757 5.90816 5.92364 5.94313 Alpha virt. eigenvalues -- 6.03456 6.04678 6.05315 6.08548 6.11688 Alpha virt. eigenvalues -- 6.11967 6.12962 6.13051 6.14092 6.14633 Alpha virt. eigenvalues -- 6.17980 6.22317 6.23493 6.24218 6.24910 Alpha virt. eigenvalues -- 6.25943 6.27471 6.27965 6.28381 6.29030 Alpha virt. eigenvalues -- 6.29295 6.29833 6.32289 6.32734 6.35465 Alpha virt. eigenvalues -- 6.37228 6.38643 6.39021 6.40405 6.41950 Alpha virt. eigenvalues -- 6.43463 6.44799 6.45092 6.45503 6.45888 Alpha virt. eigenvalues -- 6.46492 6.47281 6.48316 6.49171 6.49825 Alpha virt. eigenvalues -- 6.63929 6.64693 6.65134 6.66051 6.67335 Alpha virt. eigenvalues -- 6.68051 6.68556 6.69168 6.71482 6.72204 Alpha virt. eigenvalues -- 6.72756 6.73175 6.73540 6.73983 6.74494 Alpha virt. eigenvalues -- 6.74794 6.75692 6.75983 6.77079 6.77338 Alpha virt. eigenvalues -- 6.77785 6.79467 6.79736 6.80514 6.80998 Alpha virt. eigenvalues -- 6.82351 6.83388 6.84049 6.84165 6.84598 Alpha virt. eigenvalues -- 6.84706 6.85239 6.86655 6.86954 6.87691 Alpha virt. eigenvalues -- 6.88001 6.88828 6.90124 6.91508 6.92315 Alpha virt. eigenvalues -- 6.92931 6.93677 6.94012 6.95171 6.95849 Alpha virt. eigenvalues -- 6.96733 6.99277 6.99286 7.00055 7.01210 Alpha virt. eigenvalues -- 7.01471 7.01909 7.03357 7.03370 7.04415 Alpha virt. eigenvalues -- 7.05189 7.05605 7.07171 7.10427 7.12193 Alpha virt. eigenvalues -- 7.13700 7.14417 7.15565 7.16524 7.17906 Alpha virt. eigenvalues -- 7.19483 7.20384 7.21388 7.22257 7.22760 Alpha virt. eigenvalues -- 7.23092 7.23587 7.24062 7.24205 7.24317 Alpha virt. eigenvalues -- 7.24605 7.24887 7.25136 7.25616 7.26353 Alpha virt. eigenvalues -- 7.27996 7.28481 7.30444 7.30914 7.31416 Alpha virt. eigenvalues -- 7.32553 7.39048 7.40993 7.42677 7.43585 Alpha virt. eigenvalues -- 7.45286 7.46497 7.47613 7.48154 7.49456 Alpha virt. eigenvalues -- 7.50871 7.51038 7.51490 7.51792 7.53792 Alpha virt. eigenvalues -- 7.58181 7.58735 7.59907 7.60637 7.61263 Alpha virt. eigenvalues -- 7.63376 7.63866 7.64803 7.65471 7.67298 Alpha virt. eigenvalues -- 7.67906 7.68195 7.69070 7.69772 7.70817 Alpha virt. eigenvalues -- 7.71063 7.72140 7.73438 7.79867 7.80398 Alpha virt. eigenvalues -- 7.91833 8.00092 8.00379 8.01510 8.02280 Alpha virt. eigenvalues -- 8.02963 8.03037 8.06528 8.06884 8.08022 Alpha virt. eigenvalues -- 8.12430 8.14745 8.15220 8.15978 8.16883 Alpha virt. eigenvalues -- 8.24797 8.25192 8.32790 8.34554 8.34965 Alpha virt. eigenvalues -- 8.35771 8.36132 8.37163 8.39663 8.44788 Alpha virt. eigenvalues -- 8.45389 8.46136 8.46398 8.46696 8.47467 Alpha virt. eigenvalues -- 8.50787 8.51254 8.52098 8.52443 8.53569 Alpha virt. eigenvalues -- 8.54450 8.54965 8.55760 8.55952 8.57385 Alpha virt. eigenvalues -- 8.58206 8.63752 8.64147 8.67037 8.67982 Alpha virt. eigenvalues -- 8.69558 8.70342 8.71913 8.77506 8.77563 Alpha virt. eigenvalues -- 8.78385 8.79054 8.79954 8.80213 8.81581 Alpha virt. eigenvalues -- 8.82111 8.83768 8.84521 8.85835 8.89434 Alpha virt. eigenvalues -- 8.99916 9.00492 9.00600 9.01342 9.01656 Alpha virt. eigenvalues -- 9.02099 9.02691 9.03109 9.03243 9.03822 Alpha virt. eigenvalues -- 9.05285 9.05362 9.05647 9.05777 9.06232 Alpha virt. eigenvalues -- 9.06430 9.06916 9.07401 9.08020 9.08742 Alpha virt. eigenvalues -- 9.10757 9.11020 9.18659 9.19915 9.19967 Alpha virt. eigenvalues -- 9.20717 9.21703 9.21767 9.22575 9.23277 Alpha virt. eigenvalues -- 9.23624 9.24293 9.26221 9.26564 9.26623 Alpha virt. eigenvalues -- 9.26802 9.27545 9.28040 9.28261 9.28832 Alpha virt. eigenvalues -- 9.29128 9.29596 9.30122 9.30604 9.32010 Alpha virt. eigenvalues -- 9.32801 9.33782 9.34466 9.35477 9.36784 Alpha virt. eigenvalues -- 9.36931 9.37628 9.38177 9.39180 9.40059 Alpha virt. eigenvalues -- 9.41338 9.42138 9.43596 9.44540 9.45420 Alpha virt. eigenvalues -- 9.46350 9.48332 9.48574 9.50732 9.51779 Alpha virt. eigenvalues -- 9.54139 9.55454 9.55746 9.56884 9.57618 Alpha virt. eigenvalues -- 9.58223 9.61926 9.62825 9.63387 9.64214 Alpha virt. eigenvalues -- 9.65058 9.65475 9.68031 9.71622 9.74329 Alpha virt. eigenvalues -- 9.74834 9.75154 9.78794 9.82427 9.83580 Alpha virt. eigenvalues -- 9.83855 9.90136 9.92327 9.93982 9.95489 Alpha virt. eigenvalues -- 9.96137 9.96606 9.98014 10.02162 10.02720 Alpha virt. eigenvalues -- 10.04188 10.04737 10.08787 10.17930 10.38122 Alpha virt. eigenvalues -- 10.38754 10.39126 10.39354 10.40729 10.41048 Alpha virt. eigenvalues -- 10.41277 10.41611 10.42797 10.43306 10.46827 Alpha virt. eigenvalues -- 10.48459 10.49599 10.49724 10.50468 10.52074 Alpha virt. eigenvalues -- 10.78372 10.81308 10.82153 10.82400 10.83582 Alpha virt. eigenvalues -- 10.83604 10.84393 10.85265 10.86660 10.87722 Alpha virt. eigenvalues -- 10.88247 10.88396 10.89135 10.89478 10.91817 Alpha virt. eigenvalues -- 10.93136 11.04395 11.05123 11.06431 11.07006 Alpha virt. eigenvalues -- 11.39744 11.39913 11.41572 11.41847 11.67806 Alpha virt. eigenvalues -- 11.68276 11.68760 11.69763 11.89035 11.89094 Alpha virt. eigenvalues -- 11.90232 11.90541 12.97480 12.98957 13.60727 Alpha virt. eigenvalues -- 13.64343 13.75860 13.81751 13.82180 13.83692 Alpha virt. eigenvalues -- 14.12362 14.13995 14.15814 14.16429 24.41295 Alpha virt. eigenvalues -- 25.28132 25.43698 25.56767 25.66312 25.76311 Alpha virt. eigenvalues -- 29.15728 29.20347 29.22846 29.28178 29.29449 Alpha virt. eigenvalues -- 29.37472 29.39383 29.42571 29.43359 29.52638 Alpha virt. eigenvalues -- 29.56906 29.57829 29.61790 29.67984 29.69811 Alpha virt. eigenvalues -- 29.77689 29.82055 30.19788 30.20461 30.22998 Alpha virt. eigenvalues -- 30.26408 30.53369 30.54473 30.55708 30.56766 Alpha virt. eigenvalues -- 77.75544 85.92964 86.08313 86.21153 86.30799 Alpha virt. eigenvalues -- 86.40102 142.02373 142.07949 142.37569 142.38178 Alpha virt. eigenvalues -- 142.41093 142.44964 142.65072 142.66524 142.67472 Alpha virt. eigenvalues -- 142.68986 441.71021 441.94003 442.14344 442.30696 Alpha virt. eigenvalues -- 442.46212 471.08495 Beta occ. eigenvalues -- -161.28951 -88.53425 -88.53060 -88.52988 -88.47015 Beta occ. eigenvalues -- -88.46995 -17.39854 -14.38020 -14.38006 -14.37968 Beta occ. eigenvalues -- -10.07833 -10.07791 -10.07687 -10.07640 -10.07246 Beta occ. eigenvalues -- -10.07136 -10.07133 -10.06924 -10.06817 -10.06044 Beta occ. eigenvalues -- -7.83512 -7.83105 -7.83040 -7.77431 -7.77405 Beta occ. eigenvalues -- -5.77537 -5.77150 -5.77106 -5.77082 -5.76685 Beta occ. eigenvalues -- -5.76618 -5.76343 -5.75923 -5.75857 -5.71589 Beta occ. eigenvalues -- -5.71565 -5.70566 -5.70542 -5.70515 -5.70487 Beta occ. eigenvalues -- -1.96658 -1.15151 -1.14814 -1.14802 -0.76647 Beta occ. eigenvalues -- -0.75759 -0.68149 -0.62017 -0.59277 -0.59264 Beta occ. eigenvalues -- -0.58536 -0.58286 -0.54465 -0.46205 -0.42094 Beta occ. eigenvalues -- -0.41701 -0.41071 -0.40814 -0.40204 -0.39305 Beta occ. eigenvalues -- -0.38512 -0.27469 -0.27154 -0.26265 -0.26151 Beta occ. eigenvalues -- -0.25411 -0.25367 -0.24416 -0.24344 -0.24305 Beta occ. eigenvalues -- -0.23927 -0.23430 -0.23107 -0.22837 -0.19869 Beta occ. eigenvalues -- -0.16606 -0.16282 -0.12870 -0.11542 -0.11355 Beta occ. eigenvalues -- -0.11178 -0.10074 -0.08944 -0.07786 -0.06769 Beta occ. eigenvalues -- -0.06394 Beta virt. eigenvalues -- 0.05809 0.07227 0.07457 0.08112 0.08810 Beta virt. eigenvalues -- 0.08977 0.09267 0.09951 0.10547 0.10777 Beta virt. eigenvalues -- 0.11317 0.12003 0.12208 0.13213 0.13260 Beta virt. eigenvalues -- 0.13547 0.14222 0.14768 0.15526 0.15922 Beta virt. eigenvalues -- 0.16140 0.16516 0.17537 0.17775 0.19339 Beta virt. eigenvalues -- 0.19829 0.19996 0.20462 0.20883 0.21259 Beta virt. eigenvalues -- 0.21654 0.21864 0.22313 0.22464 0.23212 Beta virt. eigenvalues -- 0.23634 0.24043 0.24686 0.24988 0.25136 Beta virt. eigenvalues -- 0.25542 0.25551 0.26074 0.26523 0.26892 Beta virt. eigenvalues -- 0.27316 0.28249 0.28820 0.29554 0.29885 Beta virt. eigenvalues -- 0.30072 0.30453 0.30673 0.30990 0.31103 Beta virt. eigenvalues -- 0.31282 0.31500 0.32064 0.32304 0.32426 Beta virt. eigenvalues -- 0.32877 0.33973 0.34137 0.34226 0.34552 Beta virt. eigenvalues -- 0.34871 0.35638 0.35996 0.36142 0.36973 Beta virt. eigenvalues -- 0.37372 0.38418 0.38637 0.39159 0.39358 Beta virt. eigenvalues -- 0.39479 0.39831 0.40062 0.41164 0.41639 Beta virt. eigenvalues -- 0.42022 0.42242 0.42514 0.43054 0.43536 Beta virt. eigenvalues -- 0.44131 0.44648 0.44784 0.45250 0.45775 Beta virt. eigenvalues -- 0.46296 0.47386 0.47662 0.48162 0.48806 Beta virt. eigenvalues -- 0.49701 0.50055 0.50291 0.51064 0.51609 Beta virt. eigenvalues -- 0.51865 0.52024 0.52899 0.53486 0.53798 Beta virt. eigenvalues -- 0.54020 0.54365 0.54889 0.55625 0.56414 Beta virt. eigenvalues -- 0.56520 0.57234 0.57817 0.58042 0.58379 Beta virt. eigenvalues -- 0.58660 0.59101 0.59355 0.59693 0.60181 Beta virt. eigenvalues -- 0.60298 0.60522 0.60766 0.60881 0.61304 Beta virt. eigenvalues -- 0.61637 0.62244 0.62849 0.63731 0.64280 Beta virt. eigenvalues -- 0.64424 0.64538 0.64875 0.65554 0.65944 Beta virt. eigenvalues -- 0.66542 0.67204 0.67419 0.67893 0.68696 Beta virt. eigenvalues -- 0.69621 0.69946 0.70230 0.71171 0.71268 Beta virt. eigenvalues -- 0.71951 0.72797 0.72868 0.74374 0.75692 Beta virt. eigenvalues -- 0.75880 0.76399 0.77075 0.77754 0.79355 Beta virt. eigenvalues -- 0.79738 0.80823 0.82165 0.83029 0.83209 Beta virt. eigenvalues -- 0.84452 0.84583 0.84853 0.85547 0.86297 Beta virt. eigenvalues -- 0.86592 0.87605 0.88631 0.89578 0.90073 Beta virt. eigenvalues -- 0.90511 0.90748 0.91407 0.92382 0.92573 Beta virt. eigenvalues -- 0.93523 0.94095 0.94650 0.95120 0.95467 Beta virt. eigenvalues -- 0.95810 0.96174 0.96871 0.97205 0.97382 Beta virt. eigenvalues -- 0.98013 0.98773 0.98918 0.99256 0.99810 Beta virt. eigenvalues -- 1.00585 1.01096 1.01834 1.02334 1.02880 Beta virt. eigenvalues -- 1.03591 1.03882 1.04975 1.05226 1.05871 Beta virt. eigenvalues -- 1.06067 1.07049 1.07381 1.08049 1.08922 Beta virt. eigenvalues -- 1.09431 1.10083 1.10528 1.10803 1.11816 Beta virt. eigenvalues -- 1.11992 1.12284 1.12948 1.13225 1.13515 Beta virt. eigenvalues -- 1.14261 1.14524 1.15049 1.15865 1.16516 Beta virt. eigenvalues -- 1.16937 1.17419 1.18173 1.19203 1.19435 Beta virt. eigenvalues -- 1.19709 1.19744 1.20199 1.20344 1.21464 Beta virt. eigenvalues -- 1.21777 1.22354 1.23212 1.23468 1.23976 Beta virt. eigenvalues -- 1.24530 1.25132 1.25192 1.26080 1.26169 Beta virt. eigenvalues -- 1.26629 1.26797 1.27023 1.27511 1.27850 Beta virt. eigenvalues -- 1.28004 1.28905 1.29399 1.29787 1.30057 Beta virt. eigenvalues -- 1.30598 1.31074 1.31357 1.31690 1.32728 Beta virt. eigenvalues -- 1.32876 1.33117 1.33223 1.33670 1.34276 Beta virt. eigenvalues -- 1.34433 1.35148 1.35696 1.35826 1.36136 Beta virt. eigenvalues -- 1.37573 1.38427 1.38711 1.39039 1.39457 Beta virt. eigenvalues -- 1.39834 1.40455 1.41583 1.42181 1.42568 Beta virt. eigenvalues -- 1.43179 1.43916 1.44315 1.45001 1.45638 Beta virt. eigenvalues -- 1.46042 1.46818 1.47197 1.47377 1.47935 Beta virt. eigenvalues -- 1.49364 1.50604 1.51365 1.52229 1.52614 Beta virt. eigenvalues -- 1.53000 1.53792 1.54796 1.55821 1.56076 Beta virt. eigenvalues -- 1.56212 1.56503 1.57322 1.57891 1.58554 Beta virt. eigenvalues -- 1.59139 1.59222 1.60130 1.60832 1.61375 Beta virt. eigenvalues -- 1.61522 1.61880 1.63210 1.63989 1.64802 Beta virt. eigenvalues -- 1.65361 1.65874 1.66905 1.67699 1.68180 Beta virt. eigenvalues -- 1.69348 1.69682 1.70475 1.71343 1.72038 Beta virt. eigenvalues -- 1.72378 1.72949 1.73294 1.73734 1.74524 Beta virt. eigenvalues -- 1.75291 1.76029 1.76564 1.77160 1.77872 Beta virt. eigenvalues -- 1.78924 1.79503 1.79830 1.80621 1.81451 Beta virt. eigenvalues -- 1.82023 1.83479 1.84300 1.85056 1.86150 Beta virt. eigenvalues -- 1.87164 1.87371 1.88220 1.89343 1.90561 Beta virt. eigenvalues -- 1.91303 1.91676 1.92561 1.93815 1.94431 Beta virt. eigenvalues -- 1.95565 1.96836 1.98646 1.99275 1.99974 Beta virt. eigenvalues -- 2.00590 2.01118 2.01971 2.02396 2.02850 Beta virt. eigenvalues -- 2.03926 2.04369 2.05179 2.05578 2.05967 Beta virt. eigenvalues -- 2.06722 2.07049 2.08999 2.09413 2.10550 Beta virt. eigenvalues -- 2.10784 2.11492 2.11701 2.12671 2.12808 Beta virt. eigenvalues -- 2.13352 2.13727 2.14462 2.14744 2.15140 Beta virt. eigenvalues -- 2.16270 2.16507 2.16569 2.17203 2.18685 Beta virt. eigenvalues -- 2.19646 2.20009 2.20499 2.21718 2.22232 Beta virt. eigenvalues -- 2.22975 2.23269 2.25607 2.25993 2.26368 Beta virt. eigenvalues -- 2.26556 2.28188 2.29012 2.30399 2.30801 Beta virt. eigenvalues -- 2.32179 2.32802 2.34057 2.35747 2.36749 Beta virt. eigenvalues -- 2.37671 2.38668 2.39118 2.39535 2.40099 Beta virt. eigenvalues -- 2.40773 2.41848 2.42443 2.43124 2.43584 Beta virt. eigenvalues -- 2.44681 2.45671 2.46798 2.47072 2.47398 Beta virt. eigenvalues -- 2.48076 2.49234 2.50030 2.51149 2.51957 Beta virt. eigenvalues -- 2.52226 2.53642 2.54499 2.54861 2.55756 Beta virt. eigenvalues -- 2.56374 2.56896 2.59057 2.60398 2.61085 Beta virt. eigenvalues -- 2.61267 2.62321 2.63622 2.64299 2.65228 Beta virt. eigenvalues -- 2.65598 2.66303 2.67149 2.67634 2.68640 Beta virt. eigenvalues -- 2.68836 2.69644 2.70635 2.71040 2.72110 Beta virt. eigenvalues -- 2.72823 2.73525 2.74762 2.75321 2.76433 Beta virt. eigenvalues -- 2.76774 2.77919 2.78448 2.78985 2.79721 Beta virt. eigenvalues -- 2.80274 2.82228 2.83529 2.84380 2.85116 Beta virt. eigenvalues -- 2.86572 2.87486 2.87769 2.88188 2.88500 Beta virt. eigenvalues -- 2.88650 2.89720 2.90205 2.91408 2.91748 Beta virt. eigenvalues -- 2.92105 2.92688 2.92881 2.93582 2.93904 Beta virt. eigenvalues -- 2.94363 2.95247 2.96049 2.96457 2.96956 Beta virt. eigenvalues -- 2.97560 2.97891 2.98316 2.98961 2.99797 Beta virt. eigenvalues -- 3.00305 3.01054 3.01575 3.02638 3.02952 Beta virt. eigenvalues -- 3.03906 3.04267 3.04380 3.04689 3.04930 Beta virt. eigenvalues -- 3.05750 3.06279 3.06805 3.07122 3.08097 Beta virt. eigenvalues -- 3.08202 3.08986 3.09283 3.11260 3.11372 Beta virt. eigenvalues -- 3.11920 3.12372 3.12700 3.13605 3.14084 Beta virt. eigenvalues -- 3.15021 3.15608 3.15890 3.16518 3.16739 Beta virt. eigenvalues -- 3.17304 3.17517 3.17970 3.18486 3.18981 Beta virt. eigenvalues -- 3.19332 3.19636 3.20076 3.20380 3.21234 Beta virt. eigenvalues -- 3.21600 3.22094 3.22770 3.23172 3.23953 Beta virt. eigenvalues -- 3.24027 3.24326 3.24683 3.24954 3.25430 Beta virt. eigenvalues -- 3.26091 3.26529 3.27161 3.27797 3.28639 Beta virt. eigenvalues -- 3.29442 3.29995 3.30444 3.30602 3.30760 Beta virt. eigenvalues -- 3.31660 3.32219 3.32658 3.33386 3.33475 Beta virt. eigenvalues -- 3.34491 3.34943 3.35486 3.35812 3.36221 Beta virt. eigenvalues -- 3.36610 3.37216 3.38279 3.38481 3.40493 Beta virt. eigenvalues -- 3.40641 3.41176 3.42501 3.42666 3.43221 Beta virt. eigenvalues -- 3.43808 3.44789 3.45129 3.45561 3.46058 Beta virt. eigenvalues -- 3.46395 3.47410 3.48505 3.49361 3.49894 Beta virt. eigenvalues -- 3.50827 3.51199 3.51582 3.52647 3.53865 Beta virt. eigenvalues -- 3.54422 3.55870 3.56174 3.56265 3.57257 Beta virt. eigenvalues -- 3.57793 3.59036 3.59611 3.60007 3.60835 Beta virt. eigenvalues -- 3.61655 3.62143 3.63034 3.63393 3.64217 Beta virt. eigenvalues -- 3.65006 3.65899 3.66214 3.66648 3.67346 Beta virt. eigenvalues -- 3.68070 3.68613 3.69482 3.71031 3.71944 Beta virt. eigenvalues -- 3.72268 3.72751 3.73879 3.75157 3.76073 Beta virt. eigenvalues -- 3.76792 3.77908 3.78641 3.79035 3.79660 Beta virt. eigenvalues -- 3.80458 3.81120 3.81646 3.83003 3.83832 Beta virt. eigenvalues -- 3.84127 3.85715 3.86094 3.87396 3.88796 Beta virt. eigenvalues -- 3.89565 3.90859 3.91039 3.91535 3.91725 Beta virt. eigenvalues -- 3.92707 3.93249 3.94089 3.94525 3.94970 Beta virt. eigenvalues -- 3.95612 3.96014 3.96608 3.97236 3.98304 Beta virt. eigenvalues -- 3.98765 3.99699 4.00018 4.00587 4.01266 Beta virt. eigenvalues -- 4.02744 4.03118 4.03246 4.04603 4.05247 Beta virt. eigenvalues -- 4.06526 4.07329 4.07991 4.09294 4.09846 Beta virt. eigenvalues -- 4.10542 4.11301 4.12225 4.12851 4.13750 Beta virt. eigenvalues -- 4.14264 4.15266 4.16278 4.16535 4.17596 Beta virt. eigenvalues -- 4.18287 4.18842 4.19423 4.20029 4.20893 Beta virt. eigenvalues -- 4.21195 4.22451 4.23104 4.23535 4.24691 Beta virt. eigenvalues -- 4.25523 4.27298 4.28248 4.28644 4.28762 Beta virt. eigenvalues -- 4.29090 4.29641 4.31059 4.31542 4.31873 Beta virt. eigenvalues -- 4.32331 4.32507 4.33831 4.34389 4.34982 Beta virt. eigenvalues -- 4.36445 4.38223 4.39231 4.40690 4.42056 Beta virt. eigenvalues -- 4.45430 4.46415 4.48223 4.49564 4.51114 Beta virt. eigenvalues -- 4.54257 4.55093 4.56482 4.58062 4.59669 Beta virt. eigenvalues -- 4.61736 4.62504 4.64996 4.66238 4.67655 Beta virt. eigenvalues -- 4.69679 4.71097 4.73076 4.74581 4.77647 Beta virt. eigenvalues -- 4.79438 4.80438 4.81180 4.82040 4.83831 Beta virt. eigenvalues -- 4.85738 4.87178 4.87806 4.88897 4.89068 Beta virt. eigenvalues -- 4.90268 4.92452 4.92821 4.93485 4.95925 Beta virt. eigenvalues -- 4.97169 5.01162 5.01774 5.02955 5.03829 Beta virt. eigenvalues -- 5.05657 5.09550 5.09956 5.14288 5.14839 Beta virt. eigenvalues -- 5.15176 5.15775 5.16225 5.16865 5.20539 Beta virt. eigenvalues -- 5.24525 5.27605 5.28509 5.33401 5.35893 Beta virt. eigenvalues -- 5.36151 5.37737 5.40237 5.41765 5.43013 Beta virt. eigenvalues -- 5.46108 5.47187 5.49552 5.54426 5.55437 Beta virt. eigenvalues -- 5.58685 5.59590 5.59796 5.60752 5.62196 Beta virt. eigenvalues -- 5.62991 5.63618 5.64023 5.65283 5.66139 Beta virt. eigenvalues -- 5.66733 5.67180 5.67509 5.67838 5.69303 Beta virt. eigenvalues -- 5.70623 5.71406 5.72650 5.74002 5.74441 Beta virt. eigenvalues -- 5.77538 5.78069 5.79440 5.80096 5.86454 Beta virt. eigenvalues -- 5.86793 5.89757 5.90816 5.92364 5.94313 Beta virt. eigenvalues -- 6.03456 6.04678 6.05315 6.08548 6.11688 Beta virt. eigenvalues -- 6.11967 6.12962 6.13051 6.14092 6.14633 Beta virt. eigenvalues -- 6.17980 6.22317 6.23493 6.24218 6.24910 Beta virt. eigenvalues -- 6.25943 6.27471 6.27965 6.28381 6.29030 Beta virt. eigenvalues -- 6.29295 6.29833 6.32289 6.32734 6.35465 Beta virt. eigenvalues -- 6.37228 6.38643 6.39021 6.40405 6.41950 Beta virt. eigenvalues -- 6.43463 6.44799 6.45092 6.45503 6.45888 Beta virt. eigenvalues -- 6.46492 6.47281 6.48316 6.49171 6.49825 Beta virt. eigenvalues -- 6.63929 6.64693 6.65134 6.66051 6.67335 Beta virt. eigenvalues -- 6.68051 6.68556 6.69168 6.71482 6.72204 Beta virt. eigenvalues -- 6.72756 6.73175 6.73540 6.73983 6.74494 Beta virt. eigenvalues -- 6.74794 6.75692 6.75983 6.77079 6.77338 Beta virt. eigenvalues -- 6.77785 6.79467 6.79736 6.80514 6.80998 Beta virt. eigenvalues -- 6.82351 6.83388 6.84049 6.84165 6.84598 Beta virt. eigenvalues -- 6.84706 6.85239 6.86655 6.86954 6.87691 Beta virt. eigenvalues -- 6.88001 6.88828 6.90124 6.91508 6.92315 Beta virt. eigenvalues -- 6.92931 6.93677 6.94012 6.95171 6.95849 Beta virt. eigenvalues -- 6.96733 6.99277 6.99286 7.00055 7.01210 Beta virt. eigenvalues -- 7.01471 7.01909 7.03357 7.03370 7.04415 Beta virt. eigenvalues -- 7.05189 7.05605 7.07171 7.10427 7.12193 Beta virt. eigenvalues -- 7.13700 7.14417 7.15565 7.16524 7.17906 Beta virt. eigenvalues -- 7.19483 7.20384 7.21388 7.22257 7.22760 Beta virt. eigenvalues -- 7.23092 7.23587 7.24062 7.24205 7.24317 Beta virt. eigenvalues -- 7.24605 7.24887 7.25136 7.25616 7.26353 Beta virt. eigenvalues -- 7.27996 7.28481 7.30444 7.30914 7.31416 Beta virt. eigenvalues -- 7.32553 7.39048 7.40993 7.42677 7.43585 Beta virt. eigenvalues -- 7.45286 7.46497 7.47613 7.48154 7.49456 Beta virt. eigenvalues -- 7.50871 7.51038 7.51490 7.51792 7.53792 Beta virt. eigenvalues -- 7.58181 7.58735 7.59907 7.60637 7.61263 Beta virt. eigenvalues -- 7.63376 7.63866 7.64803 7.65471 7.67298 Beta virt. eigenvalues -- 7.67906 7.68195 7.69070 7.69772 7.70817 Beta virt. eigenvalues -- 7.71063 7.72140 7.73438 7.79867 7.80398 Beta virt. eigenvalues -- 7.91833 8.00092 8.00379 8.01510 8.02280 Beta virt. eigenvalues -- 8.02963 8.03037 8.06528 8.06884 8.08022 Beta virt. eigenvalues -- 8.12430 8.14745 8.15220 8.15978 8.16883 Beta virt. eigenvalues -- 8.24797 8.25192 8.32790 8.34554 8.34965 Beta virt. eigenvalues -- 8.35771 8.36132 8.37163 8.39663 8.44788 Beta virt. eigenvalues -- 8.45389 8.46136 8.46398 8.46696 8.47467 Beta virt. eigenvalues -- 8.50787 8.51254 8.52098 8.52443 8.53569 Beta virt. eigenvalues -- 8.54450 8.54965 8.55760 8.55952 8.57385 Beta virt. eigenvalues -- 8.58206 8.63752 8.64147 8.67037 8.67982 Beta virt. eigenvalues -- 8.69558 8.70342 8.71913 8.77506 8.77563 Beta virt. eigenvalues -- 8.78385 8.79054 8.79954 8.80213 8.81581 Beta virt. eigenvalues -- 8.82111 8.83768 8.84521 8.85835 8.89434 Beta virt. eigenvalues -- 8.99916 9.00492 9.00600 9.01342 9.01656 Beta virt. eigenvalues -- 9.02099 9.02691 9.03109 9.03243 9.03822 Beta virt. eigenvalues -- 9.05285 9.05362 9.05647 9.05777 9.06232 Beta virt. eigenvalues -- 9.06430 9.06916 9.07401 9.08020 9.08742 Beta virt. eigenvalues -- 9.10757 9.11020 9.18659 9.19915 9.19967 Beta virt. eigenvalues -- 9.20717 9.21703 9.21767 9.22575 9.23277 Beta virt. eigenvalues -- 9.23624 9.24293 9.26221 9.26564 9.26623 Beta virt. eigenvalues -- 9.26802 9.27545 9.28040 9.28261 9.28832 Beta virt. eigenvalues -- 9.29128 9.29596 9.30122 9.30604 9.32010 Beta virt. eigenvalues -- 9.32801 9.33782 9.34466 9.35477 9.36784 Beta virt. eigenvalues -- 9.36931 9.37628 9.38177 9.39180 9.40059 Beta virt. eigenvalues -- 9.41338 9.42138 9.43596 9.44540 9.45420 Beta virt. eigenvalues -- 9.46350 9.48332 9.48574 9.50732 9.51779 Beta virt. eigenvalues -- 9.54139 9.55454 9.55746 9.56884 9.57618 Beta virt. eigenvalues -- 9.58223 9.61926 9.62825 9.63387 9.64214 Beta virt. eigenvalues -- 9.65058 9.65475 9.68031 9.71622 9.74329 Beta virt. eigenvalues -- 9.74834 9.75154 9.78794 9.82427 9.83580 Beta virt. eigenvalues -- 9.83855 9.90136 9.92327 9.93982 9.95489 Beta virt. eigenvalues -- 9.96137 9.96606 9.98014 10.02162 10.02720 Beta virt. eigenvalues -- 10.04188 10.04737 10.08787 10.17930 10.38122 Beta virt. eigenvalues -- 10.38754 10.39126 10.39354 10.40729 10.41048 Beta virt. eigenvalues -- 10.41277 10.41611 10.42797 10.43306 10.46827 Beta virt. eigenvalues -- 10.48459 10.49599 10.49724 10.50468 10.52074 Beta virt. eigenvalues -- 10.78372 10.81308 10.82153 10.82400 10.83582 Beta virt. eigenvalues -- 10.83604 10.84393 10.85265 10.86660 10.87722 Beta virt. eigenvalues -- 10.88247 10.88396 10.89135 10.89478 10.91817 Beta virt. eigenvalues -- 10.93136 11.04395 11.05123 11.06431 11.07006 Beta virt. eigenvalues -- 11.39744 11.39913 11.41572 11.41847 11.67806 Beta virt. eigenvalues -- 11.68276 11.68760 11.69763 11.89035 11.89094 Beta virt. eigenvalues -- 11.90232 11.90541 12.97480 12.98957 13.60727 Beta virt. eigenvalues -- 13.64343 13.75860 13.81751 13.82180 13.83692 Beta virt. eigenvalues -- 14.12362 14.13995 14.15814 14.16429 24.41295 Beta virt. eigenvalues -- 25.28132 25.43698 25.56767 25.66312 25.76311 Beta virt. eigenvalues -- 29.15728 29.20347 29.22846 29.28178 29.29449 Beta virt. eigenvalues -- 29.37472 29.39383 29.42571 29.43359 29.52638 Beta virt. eigenvalues -- 29.56906 29.57829 29.61790 29.67984 29.69811 Beta virt. eigenvalues -- 29.77689 29.82055 30.19788 30.20461 30.22998 Beta virt. eigenvalues -- 30.26408 30.53369 30.54473 30.55708 30.56766 Beta virt. eigenvalues -- 77.75544 85.92964 86.08313 86.21153 86.30799 Beta virt. eigenvalues -- 86.40102 142.02373 142.07949 142.37569 142.38178 Beta virt. eigenvalues -- 142.41093 142.44964 142.65072 142.66524 142.67472 Beta virt. eigenvalues -- 142.68986 441.71021 441.94003 442.14344 442.30696 Beta virt. eigenvalues -- 442.46212 471.08495 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.569190 0.263140 -0.052517 -0.033252 0.201479 -0.000193 2 C 0.263140 5.654305 0.213068 -0.035935 -0.077749 0.004185 3 C -0.052517 0.213068 5.566157 0.264513 -0.077879 0.002900 4 C -0.033252 -0.035935 0.264513 5.574547 0.235027 -0.000323 5 C 0.201479 -0.077749 -0.077879 0.235027 5.717027 -0.002383 6 C -0.000193 0.004185 0.002900 -0.000323 -0.002383 5.465261 7 C 0.003559 -0.000389 0.000002 0.001517 -0.001087 0.303215 8 C -0.000423 -0.002139 -0.013616 -0.000306 0.002228 -0.067345 9 C -0.003937 -0.011713 -0.000338 -0.000704 0.003718 -0.070039 10 C 0.001582 -0.002002 0.000980 0.002868 -0.001311 0.311582 11 H 0.372172 -0.041226 0.005670 0.008990 -0.058958 0.000211 12 H -0.047080 0.389542 -0.064758 0.011506 0.011707 0.000128 13 H 0.011410 -0.068112 0.372528 -0.045202 0.008741 0.000301 14 H 0.012104 0.006897 -0.035811 0.383875 -0.058512 0.000134 15 H -0.041291 0.010209 0.005173 -0.033955 0.373895 -0.000328 16 H -0.000245 0.000304 0.000232 -0.000269 -0.000195 0.375292 17 H -0.001127 -0.001316 0.000306 0.000250 0.000178 -0.046239 18 H 0.001055 -0.005315 -0.003573 0.000168 -0.000019 0.006549 19 H 0.000080 -0.004553 -0.001601 0.000491 0.000093 0.008826 20 H 0.000260 0.000153 -0.001742 -0.000816 0.000250 -0.051469 21 S 0.004088 -0.005900 -0.000378 0.000384 -0.042974 -0.030593 22 S -0.021078 0.000801 0.000143 -0.002480 0.007076 0.001226 23 S 0.002133 -0.000046 -0.000428 0.000315 -0.002037 0.000359 24 S -0.004134 -0.001405 0.003163 -0.018052 0.015067 0.001283 25 S -0.000720 0.001488 -0.008223 -0.006803 -0.036955 -0.030038 26 Sc -0.141501 -0.107722 -0.045380 -0.169833 -0.042474 -0.111756 7 8 9 10 11 12 1 C 0.003559 -0.000423 -0.003937 0.001582 0.372172 -0.047080 2 C -0.000389 -0.002139 -0.011713 -0.002002 -0.041226 0.389542 3 C 0.000002 -0.013616 -0.000338 0.000980 0.005670 -0.064758 4 C 0.001517 -0.000306 -0.000704 0.002868 0.008990 0.011506 5 C -0.001087 0.002228 0.003718 -0.001311 -0.058958 0.011707 6 C 0.303215 -0.067345 -0.070039 0.311582 0.000211 0.000128 7 C 5.528297 0.278385 -0.059365 -0.096665 -0.000440 0.000165 8 C 0.278385 5.560040 0.195872 -0.061665 -0.001507 -0.002220 9 C -0.059365 0.195872 5.606330 0.277308 -0.000262 -0.003696 10 C -0.096665 -0.061665 0.277308 5.504682 0.000435 -0.000351 11 H -0.000440 -0.001507 -0.000262 0.000435 0.526871 -0.006512 12 H 0.000165 -0.002220 -0.003696 -0.000351 -0.006512 0.584958 13 H -0.000554 -0.003075 -0.003349 0.000286 0.000107 -0.012203 14 H 0.000410 0.000066 -0.001086 -0.000672 0.000075 0.000034 15 H -0.000181 0.000268 0.000242 -0.000188 -0.009133 0.000067 16 H -0.034040 0.006660 0.007278 -0.033070 0.000017 -0.000012 17 H 0.380313 -0.039850 0.008985 0.008061 0.000046 -0.000271 18 H -0.042057 0.395272 -0.062234 0.009598 -0.000256 0.007459 19 H 0.008285 -0.062977 0.400199 -0.041091 -0.000037 -0.002151 20 H 0.009827 0.007636 -0.037331 0.376783 0.000015 -0.000017 21 S -0.053273 -0.001798 0.000794 -0.000849 0.000258 -0.000819 22 S 0.002116 0.000172 -0.000381 -0.000525 0.000955 0.000024 23 S 0.000354 -0.000037 0.000012 0.000494 0.000472 -0.000002 24 S -0.000346 -0.000453 0.000185 0.001821 0.000026 0.000026 25 S -0.002839 0.002226 -0.001932 -0.050697 0.000035 -0.000058 26 Sc -0.058760 -0.050719 -0.051313 -0.062759 0.043492 0.020715 13 14 15 16 17 18 1 C 0.011410 0.012104 -0.041291 -0.000245 -0.001127 0.001055 2 C -0.068112 0.006897 0.010209 0.000304 -0.001316 -0.005315 3 C 0.372528 -0.035811 0.005173 0.000232 0.000306 -0.003573 4 C -0.045202 0.383875 -0.033955 -0.000269 0.000250 0.000168 5 C 0.008741 -0.058512 0.373895 -0.000195 0.000178 -0.000019 6 C 0.000301 0.000134 -0.000328 0.375292 -0.046239 0.006549 7 C -0.000554 0.000410 -0.000181 -0.034040 0.380313 -0.042057 8 C -0.003075 0.000066 0.000268 0.006660 -0.039850 0.395272 9 C -0.003349 -0.001086 0.000242 0.007278 0.008985 -0.062234 10 C 0.000286 -0.000672 -0.000188 -0.033070 0.008061 0.009598 11 H 0.000107 0.000075 -0.009133 0.000017 0.000046 -0.000256 12 H -0.012203 0.000034 0.000067 -0.000012 -0.000271 0.007459 13 H 0.593590 -0.006399 -0.000488 0.000030 -0.000000 -0.000800 14 H -0.006399 0.540385 -0.006998 -0.000008 0.000009 -0.000002 15 H -0.000488 -0.006998 0.483401 -0.000071 0.000006 -0.000008 16 H 0.000030 -0.000008 -0.000071 0.495516 -0.005307 -0.000125 17 H -0.000000 0.000009 0.000006 -0.005307 0.527151 -0.005829 18 H -0.000800 -0.000002 -0.000008 -0.000125 -0.005829 0.553950 19 H 0.006015 -0.000071 -0.000019 -0.000068 0.000042 -0.008394 20 H -0.000460 -0.000008 0.000028 -0.005831 -0.000089 0.000030 21 S -0.000097 0.000334 0.001449 -0.003590 0.005474 0.000242 22 S 0.000069 -0.000312 -0.021620 0.000300 0.000555 -0.000044 23 S -0.000030 0.001228 0.000848 0.000709 0.000076 -0.000000 24 S 0.000319 -0.008262 -0.025204 0.000288 -0.000114 0.000005 25 S -0.001239 0.004030 0.006565 -0.002543 0.000266 0.000089 26 Sc 0.041781 0.019274 0.008844 0.039127 0.011767 0.037960 19 20 21 22 23 24 1 C 0.000080 0.000260 0.004088 -0.021078 0.002133 -0.004134 2 C -0.004553 0.000153 -0.005900 0.000801 -0.000046 -0.001405 3 C -0.001601 -0.001742 -0.000378 0.000143 -0.000428 0.003163 4 C 0.000491 -0.000816 0.000384 -0.002480 0.000315 -0.018052 5 C 0.000093 0.000250 -0.042974 0.007076 -0.002037 0.015067 6 C 0.008826 -0.051469 -0.030593 0.001226 0.000359 0.001283 7 C 0.008285 0.009827 -0.053273 0.002116 0.000354 -0.000346 8 C -0.062977 0.007636 -0.001798 0.000172 -0.000037 -0.000453 9 C 0.400199 -0.037331 0.000794 -0.000381 0.000012 0.000185 10 C -0.041091 0.376783 -0.000849 -0.000525 0.000494 0.001821 11 H -0.000037 0.000015 0.000258 0.000955 0.000472 0.000026 12 H -0.002151 -0.000017 -0.000819 0.000024 -0.000002 0.000026 13 H 0.006015 -0.000460 -0.000097 0.000069 -0.000030 0.000319 14 H -0.000071 -0.000008 0.000334 -0.000312 0.001228 -0.008262 15 H -0.000019 0.000028 0.001449 -0.021620 0.000848 -0.025204 16 H -0.000068 -0.005831 -0.003590 0.000300 0.000709 0.000288 17 H 0.000042 -0.000089 0.005474 0.000555 0.000076 -0.000114 18 H -0.008394 0.000030 0.000242 -0.000044 -0.000000 0.000005 19 H 0.548469 -0.005852 0.000015 0.000002 0.000007 -0.000030 20 H -0.005852 0.528998 0.000372 -0.000092 0.000041 0.000559 21 S 0.000015 0.000372 16.461137 -0.030178 -0.069369 0.009937 22 S 0.000002 -0.000092 -0.030178 16.056708 0.085140 -0.092170 23 S 0.000007 0.000041 -0.069369 0.085140 16.029343 0.082992 24 S -0.000030 0.000559 0.009937 -0.092170 0.082992 16.051624 25 S -0.000812 0.007165 -0.012847 0.010488 -0.068614 -0.039357 26 Sc 0.027154 0.017362 0.165422 0.061288 -0.005691 0.071109 25 26 1 C -0.000720 -0.141501 2 C 0.001488 -0.107722 3 C -0.008223 -0.045380 4 C -0.006803 -0.169833 5 C -0.036955 -0.042474 6 C -0.030038 -0.111756 7 C -0.002839 -0.058760 8 C 0.002226 -0.050719 9 C -0.001932 -0.051313 10 C -0.050697 -0.062759 11 H 0.000035 0.043492 12 H -0.000058 0.020715 13 H -0.001239 0.041781 14 H 0.004030 0.019274 15 H 0.006565 0.008844 16 H -0.002543 0.039127 17 H 0.000266 0.011767 18 H 0.000089 0.037960 19 H -0.000812 0.027154 20 H 0.007165 0.017362 21 S -0.012847 0.165422 22 S 0.010488 0.061288 23 S -0.068614 -0.005691 24 S -0.039357 0.071109 25 S 16.477302 0.152265 26 Sc 0.152265 21.233056 Atomic-Atomic Spin Densities. 1 2 3 4 5 6 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 Sc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 8 9 10 11 12 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 Sc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 14 15 16 17 18 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 Sc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 20 21 22 23 24 1 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 2 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 3 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 4 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 5 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 6 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 7 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 8 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 9 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 10 C 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 11 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 12 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 13 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 14 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 15 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 16 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 17 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 18 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 19 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 20 H 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 21 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 22 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 23 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 24 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 S 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 26 Sc 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 25 26 1 C 0.000000 0.000000 2 C 0.000000 0.000000 3 C 0.000000 0.000000 4 C 0.000000 0.000000 5 C 0.000000 0.000000 6 C 0.000000 0.000000 7 C 0.000000 0.000000 8 C 0.000000 0.000000 9 C 0.000000 0.000000 10 C 0.000000 0.000000 11 H 0.000000 0.000000 12 H 0.000000 0.000000 13 H 0.000000 0.000000 14 H 0.000000 0.000000 15 H 0.000000 0.000000 16 H 0.000000 0.000000 17 H 0.000000 0.000000 18 H 0.000000 0.000000 19 H 0.000000 0.000000 20 H 0.000000 0.000000 21 S 0.000000 0.000000 22 S 0.000000 0.000000 23 S 0.000000 0.000000 24 S 0.000000 0.000000 25 S 0.000000 0.000000 26 Sc 0.000000 0.000000 Mulliken charges and spin densities: 1 2 1 C -0.094755 0.000000 2 C -0.178569 0.000000 3 C -0.128591 0.000000 4 C -0.136520 0.000000 5 C -0.173954 0.000000 6 C -0.070744 0.000000 7 C -0.166449 0.000000 8 C -0.140697 0.000000 9 C -0.193243 0.000000 10 C -0.144634 0.000000 11 H 0.158484 0.000000 12 H 0.113817 0.000000 13 H 0.106831 0.000000 14 H 0.149285 0.000000 15 H 0.248489 0.000000 16 H 0.159621 0.000000 17 H 0.156656 0.000000 18 H 0.116280 0.000000 19 H 0.127979 0.000000 20 H 0.154231 0.000000 21 S -0.397241 0.000000 22 S -0.058181 0.000000 23 S -0.058268 0.000000 24 S -0.048876 0.000000 25 S -0.398242 0.000000 26 Sc -0.102708 0.000000 Sum of Mulliken charges = -1.00000 0.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 C 0.063728 0.000000 2 C -0.064752 0.000000 3 C -0.021761 0.000000 4 C 0.012765 0.000000 5 C 0.074535 0.000000 6 C 0.088877 0.000000 7 C -0.009793 0.000000 8 C -0.024417 0.000000 9 C -0.065263 0.000000 10 C 0.009597 0.000000 21 S -0.397241 0.000000 22 S -0.058181 0.000000 23 S -0.058268 0.000000 24 S -0.048876 0.000000 25 S -0.398242 0.000000 26 Sc -0.102708 0.000000 Electronic spatial extent (au): = 4976.3186 Charge= -1.0000 electrons Dipole moment (field-independent basis, Debye): X= -4.1770 Y= 1.5979 Z= -0.2630 Tot= 4.4799 Quadrupole moment (field-independent basis, Debye-Ang): XX= -172.9657 YY= -167.4689 ZZ= -166.2615 XY= 0.0760 XZ= 0.0394 YZ= -0.0295 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -4.0670 YY= 1.4298 ZZ= 2.6372 XY= 0.0760 XZ= 0.0394 YZ= -0.0295 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -5.2254 YYY= -27.5112 ZZZ= -6.9884 XYY= 26.8141 XXY= 25.2605 XXZ= -3.6129 XZZ= -21.7729 YZZ= 12.3094 YYZ= 8.7566 XYZ= -7.8096 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -4164.6391 YYYY= -2045.5703 ZZZZ= -1765.1853 XXXY= -95.7483 XXXZ= 14.9781 YYYX= 18.6621 YYYZ= 25.0033 ZZZX= -3.8785 ZZZY= -5.3010 XXYY= -1046.0289 XXZZ= -950.9791 YYZZ= -605.9284 XXYZ= 9.7451 YYXZ= 0.0967 ZZXY= 8.5613 N-N= 2.147844430337D+03 E-N=-1.174983714765D+04 KE= 3.135261075344D+03 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 C(13) 0.00000 0.00000 0.00000 0.00000 2 C(13) 0.00000 0.00000 0.00000 0.00000 3 C(13) 0.00000 0.00000 0.00000 0.00000 4 C(13) 0.00000 0.00000 0.00000 0.00000 5 C(13) 0.00000 0.00000 0.00000 0.00000 6 C(13) 0.00000 0.00000 0.00000 0.00000 7 C(13) 0.00000 0.00000 0.00000 0.00000 8 C(13) 0.00000 0.00000 0.00000 0.00000 9 C(13) 0.00000 0.00000 0.00000 0.00000 10 C(13) 0.00000 0.00000 0.00000 0.00000 11 H(1) 0.00000 0.00000 0.00000 0.00000 12 H(1) 0.00000 0.00000 0.00000 0.00000 13 H(1) 0.00000 0.00000 0.00000 0.00000 14 H(1) 0.00000 0.00000 0.00000 0.00000 15 H(1) 0.00000 0.00000 0.00000 0.00000 16 H(1) 0.00000 0.00000 0.00000 0.00000 17 H(1) 0.00000 0.00000 0.00000 0.00000 18 H(1) 0.00000 0.00000 0.00000 0.00000 19 H(1) 0.00000 0.00000 0.00000 0.00000 20 H(1) 0.00000 0.00000 0.00000 0.00000 21 S(33) 0.00000 0.00000 0.00000 0.00000 22 S(33) 0.00000 0.00000 0.00000 0.00000 23 S(33) 0.00000 0.00000 0.00000 0.00000 24 S(33) 0.00000 0.00000 0.00000 0.00000 25 S(33) 0.00000 0.00000 0.00000 0.00000 26 Sc(45) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 13 Atom 0.000000 0.000000 0.000000 14 Atom 0.000000 0.000000 0.000000 15 Atom 0.000000 0.000000 0.000000 16 Atom 0.000000 0.000000 0.000000 17 Atom 0.000000 0.000000 0.000000 18 Atom 0.000000 0.000000 0.000000 19 Atom 0.000000 0.000000 0.000000 20 Atom 0.000000 0.000000 0.000000 21 Atom 0.000000 0.000000 0.000000 22 Atom 0.000000 0.000000 0.000000 23 Atom 0.000000 0.000000 0.000000 24 Atom 0.000000 0.000000 0.000000 25 Atom 0.000000 0.000000 0.000000 26 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 5 Atom 0.000000 0.000000 0.000000 6 Atom 0.000000 0.000000 0.000000 7 Atom 0.000000 0.000000 0.000000 8 Atom 0.000000 0.000000 0.000000 9 Atom 0.000000 0.000000 0.000000 10 Atom 0.000000 0.000000 0.000000 11 Atom 0.000000 0.000000 0.000000 12 Atom 0.000000 0.000000 0.000000 13 Atom 0.000000 0.000000 0.000000 14 Atom 0.000000 0.000000 0.000000 15 Atom 0.000000 0.000000 0.000000 16 Atom 0.000000 0.000000 0.000000 17 Atom 0.000000 0.000000 0.000000 18 Atom 0.000000 0.000000 0.000000 19 Atom 0.000000 0.000000 0.000000 20 Atom 0.000000 0.000000 0.000000 21 Atom 0.000000 0.000000 0.000000 22 Atom 0.000000 0.000000 0.000000 23 Atom 0.000000 0.000000 0.000000 24 Atom 0.000000 0.000000 0.000000 25 Atom 0.000000 0.000000 0.000000 26 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 1 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 2 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 3 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 4 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 5 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 6 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 7 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 8 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 9 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 10 C(13) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 11 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 12 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 13 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 14 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 15 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 16 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 17 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 18 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 19 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 20 H(1) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 21 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 22 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 23 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 24 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 25 S(33) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 26 Sc(45) Bbb 0.0000 0.000 0.000 0.000 -0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 --------------------------------------------------------------------------------- Running external command "gaunbo7 R" input file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EIn" output file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EOu" message file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EMs" fchk file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EFC" mat. el file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EUF" Writing WrtUnf unformatted file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EUF" Gaussian matrix elements Version 2 NLab=11 Len12L=8 Len4L=8 Write SHELL TO ATOM MAP from file 0 offset 0 length 407 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 407 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 407 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 681 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 681 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 681 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1221 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 26 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 72 to matrix element file. Write BOND TYPES from file 0 offset 0 length 72 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 26 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 104 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 26 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 26 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 26 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 26 to matrix element file. Write REAL QUADRUPOLEMOMENT from file 0 offset 0 length 26 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 26 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 26 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 26 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 78 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 78 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 862641 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 862641 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 862641 length 862641 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 862641 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1723969 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2587923 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 1313 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1313 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1723969 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1723969 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 862641 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 862641 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 862641 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 862641 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/1700165.pbs-7/Gau- Job title: CYPTIS10 NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Spin ----------------------------------------------------- 1 C 1 s Cor( 1s) 1.99997 0.00000 2 C 1 s Val( 2s) 0.98252 0.00000 3 C 1 s Ryd( 3s) 0.00146 0.00000 4 C 1 s Ryd( 4s) 0.00007 0.00000 5 C 1 s Ryd( 5s) 0.00001 0.00000 6 C 1 s Ryd( 6s) 0.00000 0.00000 7 C 1 s Ryd( 7s) 0.00000 0.00000 8 C 1 px Val( 2p) 1.02212 0.00000 9 C 1 px Ryd( 3p) 0.00513 0.00000 10 C 1 px Ryd( 4p) 0.00042 0.00000 11 C 1 px Ryd( 5p) 0.00006 0.00000 12 C 1 py Val( 2p) 1.11245 0.00000 13 C 1 py Ryd( 3p) 0.00254 0.00000 14 C 1 py Ryd( 4p) 0.00036 0.00000 15 C 1 py Ryd( 5p) 0.00001 0.00000 16 C 1 pz Val( 2p) 1.17450 0.00000 17 C 1 pz Ryd( 3p) 0.00470 0.00000 18 C 1 pz Ryd( 4p) 0.00034 0.00000 19 C 1 pz Ryd( 5p) 0.00004 0.00000 20 C 1 dxy Ryd( 3d) 0.00023 0.00000 21 C 1 dxy Ryd( 4d) 0.00051 0.00000 22 C 1 dxy Ryd( 5d) 0.00000 0.00000 23 C 1 dxz Ryd( 3d) 0.00122 0.00000 24 C 1 dxz Ryd( 4d) 0.00030 0.00000 25 C 1 dxz Ryd( 5d) 0.00001 0.00000 26 C 1 dyz Ryd( 3d) 0.00252 0.00000 27 C 1 dyz Ryd( 4d) 0.00010 0.00000 28 C 1 dyz Ryd( 5d) 0.00001 0.00000 29 C 1 dx2y2 Ryd( 3d) 0.00134 0.00000 30 C 1 dx2y2 Ryd( 4d) 0.00042 0.00000 31 C 1 dx2y2 Ryd( 5d) 0.00001 0.00000 32 C 1 dz2 Ryd( 3d) 0.00096 0.00000 33 C 1 dz2 Ryd( 4d) 0.00047 0.00000 34 C 1 dz2 Ryd( 5d) 0.00001 0.00000 35 C 1 f(0) Ryd( 4f) 0.00056 0.00000 36 C 1 f(0) Ryd( 5f) 0.00001 0.00000 37 C 1 f(c1) Ryd( 4f) 0.00046 0.00000 38 C 1 f(c1) Ryd( 5f) 0.00002 0.00000 39 C 1 f(s1) Ryd( 4f) 0.00057 0.00000 40 C 1 f(s1) Ryd( 5f) 0.00000 0.00000 41 C 1 f(c2) Ryd( 4f) 0.00049 0.00000 42 C 1 f(c2) Ryd( 5f) 0.00002 0.00000 43 C 1 f(s2) Ryd( 4f) 0.00008 0.00000 44 C 1 f(s2) Ryd( 5f) 0.00001 0.00000 45 C 1 f(c3) Ryd( 4f) 0.00038 0.00000 46 C 1 f(c3) Ryd( 5f) 0.00001 0.00000 47 C 1 f(s3) Ryd( 4f) 0.00030 0.00000 48 C 1 f(s3) Ryd( 5f) 0.00001 0.00000 49 C 1 g(0) Ryd( 5g) 0.00011 0.00000 50 C 1 g(c1) Ryd( 5g) 0.00016 0.00000 51 C 1 g(s1) Ryd( 5g) 0.00006 0.00000 52 C 1 g(c2) Ryd( 5g) 0.00010 0.00000 53 C 1 g(s2) Ryd( 5g) 0.00005 0.00000 54 C 1 g(c3) Ryd( 5g) 0.00005 0.00000 55 C 1 g(s3) Ryd( 5g) 0.00006 0.00000 56 C 1 g(c4) Ryd( 5g) 0.00002 0.00000 57 C 1 g(s4) Ryd( 5g) 0.00002 0.00000 58 C 2 s Cor( 1s) 1.99997 0.00000 59 C 2 s Val( 2s) 0.97813 0.00000 60 C 2 s Ryd( 3s) 0.00157 0.00000 61 C 2 s Ryd( 4s) 0.00008 0.00000 62 C 2 s Ryd( 5s) 0.00001 0.00000 63 C 2 s Ryd( 6s) 0.00000 0.00000 64 C 2 s Ryd( 7s) 0.00000 0.00000 65 C 2 px Val( 2p) 1.13505 0.00000 66 C 2 px Ryd( 3p) 0.00460 0.00000 67 C 2 px Ryd( 4p) 0.00030 0.00000 68 C 2 px Ryd( 5p) 0.00005 0.00000 69 C 2 py Val( 2p) 1.14451 0.00000 70 C 2 py Ryd( 3p) 0.00259 0.00000 71 C 2 py Ryd( 4p) 0.00034 0.00000 72 C 2 py Ryd( 5p) 0.00001 0.00000 73 C 2 pz Val( 2p) 1.05721 0.00000 74 C 2 pz Ryd( 3p) 0.00502 0.00000 75 C 2 pz Ryd( 4p) 0.00031 0.00000 76 C 2 pz Ryd( 5p) 0.00006 0.00000 77 C 2 dxy Ryd( 3d) 0.00174 0.00000 78 C 2 dxy Ryd( 4d) 0.00015 0.00000 79 C 2 dxy Ryd( 5d) 0.00001 0.00000 80 C 2 dxz Ryd( 3d) 0.00057 0.00000 81 C 2 dxz Ryd( 4d) 0.00062 0.00000 82 C 2 dxz Ryd( 5d) 0.00001 0.00000 83 C 2 dyz Ryd( 3d) 0.00084 0.00000 84 C 2 dyz Ryd( 4d) 0.00037 0.00000 85 C 2 dyz Ryd( 5d) 0.00000 0.00000 86 C 2 dx2y2 Ryd( 3d) 0.00176 0.00000 87 C 2 dx2y2 Ryd( 4d) 0.00020 0.00000 88 C 2 dx2y2 Ryd( 5d) 0.00002 0.00000 89 C 2 dz2 Ryd( 3d) 0.00126 0.00000 90 C 2 dz2 Ryd( 4d) 0.00032 0.00000 91 C 2 dz2 Ryd( 5d) 0.00001 0.00000 92 C 2 f(0) Ryd( 4f) 0.00053 0.00000 93 C 2 f(0) Ryd( 5f) 0.00001 0.00000 94 C 2 f(c1) Ryd( 4f) 0.00037 0.00000 95 C 2 f(c1) Ryd( 5f) 0.00003 0.00000 96 C 2 f(s1) Ryd( 4f) 0.00022 0.00000 97 C 2 f(s1) Ryd( 5f) 0.00001 0.00000 98 C 2 f(c2) Ryd( 4f) 0.00051 0.00000 99 C 2 f(c2) Ryd( 5f) 0.00001 0.00000 100 C 2 f(s2) Ryd( 4f) 0.00016 0.00000 101 C 2 f(s2) Ryd( 5f) 0.00001 0.00000 102 C 2 f(c3) Ryd( 4f) 0.00044 0.00000 103 C 2 f(c3) Ryd( 5f) 0.00001 0.00000 104 C 2 f(s3) Ryd( 4f) 0.00059 0.00000 105 C 2 f(s3) Ryd( 5f) 0.00001 0.00000 106 C 2 g(0) Ryd( 5g) 0.00014 0.00000 107 C 2 g(c1) Ryd( 5g) 0.00015 0.00000 108 C 2 g(s1) Ryd( 5g) 0.00007 0.00000 109 C 2 g(c2) Ryd( 5g) 0.00007 0.00000 110 C 2 g(s2) Ryd( 5g) 0.00001 0.00000 111 C 2 g(c3) Ryd( 5g) 0.00005 0.00000 112 C 2 g(s3) Ryd( 5g) 0.00011 0.00000 113 C 2 g(c4) Ryd( 5g) 0.00002 0.00000 114 C 2 g(s4) Ryd( 5g) 0.00000 0.00000 115 C 3 s Cor( 1s) 1.99997 0.00000 116 C 3 s Val( 2s) 0.97903 0.00000 117 C 3 s Ryd( 3s) 0.00154 0.00000 118 C 3 s Ryd( 4s) 0.00008 0.00000 119 C 3 s Ryd( 5s) 0.00001 0.00000 120 C 3 s Ryd( 6s) 0.00000 0.00000 121 C 3 s Ryd( 7s) 0.00000 0.00000 122 C 3 px Val( 2p) 1.10967 0.00000 123 C 3 px Ryd( 3p) 0.00496 0.00000 124 C 3 px Ryd( 4p) 0.00031 0.00000 125 C 3 px Ryd( 5p) 0.00005 0.00000 126 C 3 py Val( 2p) 1.15175 0.00000 127 C 3 py Ryd( 3p) 0.00321 0.00000 128 C 3 py Ryd( 4p) 0.00038 0.00000 129 C 3 py Ryd( 5p) 0.00001 0.00000 130 C 3 pz Val( 2p) 1.08534 0.00000 131 C 3 pz Ryd( 3p) 0.00439 0.00000 132 C 3 pz Ryd( 4p) 0.00026 0.00000 133 C 3 pz Ryd( 5p) 0.00005 0.00000 134 C 3 dxy Ryd( 3d) 0.00135 0.00000 135 C 3 dxy Ryd( 4d) 0.00021 0.00000 136 C 3 dxy Ryd( 5d) 0.00001 0.00000 137 C 3 dxz Ryd( 3d) 0.00037 0.00000 138 C 3 dxz Ryd( 4d) 0.00073 0.00000 139 C 3 dxz Ryd( 5d) 0.00001 0.00000 140 C 3 dyz Ryd( 3d) 0.00098 0.00000 141 C 3 dyz Ryd( 4d) 0.00025 0.00000 142 C 3 dyz Ryd( 5d) 0.00001 0.00000 143 C 3 dx2y2 Ryd( 3d) 0.00197 0.00000 144 C 3 dx2y2 Ryd( 4d) 0.00019 0.00000 145 C 3 dx2y2 Ryd( 5d) 0.00002 0.00000 146 C 3 dz2 Ryd( 3d) 0.00148 0.00000 147 C 3 dz2 Ryd( 4d) 0.00027 0.00000 148 C 3 dz2 Ryd( 5d) 0.00001 0.00000 149 C 3 f(0) Ryd( 4f) 0.00050 0.00000 150 C 3 f(0) Ryd( 5f) 0.00001 0.00000 151 C 3 f(c1) Ryd( 4f) 0.00050 0.00000 152 C 3 f(c1) Ryd( 5f) 0.00003 0.00000 153 C 3 f(s1) Ryd( 4f) 0.00025 0.00000 154 C 3 f(s1) Ryd( 5f) 0.00001 0.00000 155 C 3 f(c2) Ryd( 4f) 0.00057 0.00000 156 C 3 f(c2) Ryd( 5f) 0.00001 0.00000 157 C 3 f(s2) Ryd( 4f) 0.00016 0.00000 158 C 3 f(s2) Ryd( 5f) 0.00000 0.00000 159 C 3 f(c3) Ryd( 4f) 0.00041 0.00000 160 C 3 f(c3) Ryd( 5f) 0.00001 0.00000 161 C 3 f(s3) Ryd( 4f) 0.00042 0.00000 162 C 3 f(s3) Ryd( 5f) 0.00001 0.00000 163 C 3 g(0) Ryd( 5g) 0.00012 0.00000 164 C 3 g(c1) Ryd( 5g) 0.00016 0.00000 165 C 3 g(s1) Ryd( 5g) 0.00005 0.00000 166 C 3 g(c2) Ryd( 5g) 0.00007 0.00000 167 C 3 g(s2) Ryd( 5g) 0.00006 0.00000 168 C 3 g(c3) Ryd( 5g) 0.00003 0.00000 169 C 3 g(s3) Ryd( 5g) 0.00007 0.00000 170 C 3 g(c4) Ryd( 5g) 0.00003 0.00000 171 C 3 g(s4) Ryd( 5g) 0.00001 0.00000 172 C 4 s Cor( 1s) 1.99997 0.00000 173 C 4 s Val( 2s) 0.98310 0.00000 174 C 4 s Ryd( 3s) 0.00139 0.00000 175 C 4 s Ryd( 4s) 0.00007 0.00000 176 C 4 s Ryd( 5s) 0.00001 0.00000 177 C 4 s Ryd( 6s) 0.00000 0.00000 178 C 4 s Ryd( 7s) 0.00000 0.00000 179 C 4 px Val( 2p) 1.03805 0.00000 180 C 4 px Ryd( 3p) 0.00507 0.00000 181 C 4 px Ryd( 4p) 0.00049 0.00000 182 C 4 px Ryd( 5p) 0.00006 0.00000 183 C 4 py Val( 2p) 1.10423 0.00000 184 C 4 py Ryd( 3p) 0.00317 0.00000 185 C 4 py Ryd( 4p) 0.00043 0.00000 186 C 4 py Ryd( 5p) 0.00001 0.00000 187 C 4 pz Val( 2p) 1.15450 0.00000 188 C 4 pz Ryd( 3p) 0.00423 0.00000 189 C 4 pz Ryd( 4p) 0.00028 0.00000 190 C 4 pz Ryd( 5p) 0.00004 0.00000 191 C 4 dxy Ryd( 3d) 0.00058 0.00000 192 C 4 dxy Ryd( 4d) 0.00042 0.00000 193 C 4 dxy Ryd( 5d) 0.00000 0.00000 194 C 4 dxz Ryd( 3d) 0.00073 0.00000 195 C 4 dxz Ryd( 4d) 0.00054 0.00000 196 C 4 dxz Ryd( 5d) 0.00001 0.00000 197 C 4 dyz Ryd( 3d) 0.00171 0.00000 198 C 4 dyz Ryd( 4d) 0.00013 0.00000 199 C 4 dyz Ryd( 5d) 0.00001 0.00000 200 C 4 dx2y2 Ryd( 3d) 0.00186 0.00000 201 C 4 dx2y2 Ryd( 4d) 0.00036 0.00000 202 C 4 dx2y2 Ryd( 5d) 0.00001 0.00000 203 C 4 dz2 Ryd( 3d) 0.00139 0.00000 204 C 4 dz2 Ryd( 4d) 0.00036 0.00000 205 C 4 dz2 Ryd( 5d) 0.00001 0.00000 206 C 4 f(0) Ryd( 4f) 0.00051 0.00000 207 C 4 f(0) Ryd( 5f) 0.00002 0.00000 208 C 4 f(c1) Ryd( 4f) 0.00066 0.00000 209 C 4 f(c1) Ryd( 5f) 0.00002 0.00000 210 C 4 f(s1) Ryd( 4f) 0.00035 0.00000 211 C 4 f(s1) Ryd( 5f) 0.00001 0.00000 212 C 4 f(c2) Ryd( 4f) 0.00057 0.00000 213 C 4 f(c2) Ryd( 5f) 0.00002 0.00000 214 C 4 f(s2) Ryd( 4f) 0.00013 0.00000 215 C 4 f(s2) Ryd( 5f) 0.00001 0.00000 216 C 4 f(c3) Ryd( 4f) 0.00037 0.00000 217 C 4 f(c3) Ryd( 5f) 0.00001 0.00000 218 C 4 f(s3) Ryd( 4f) 0.00024 0.00000 219 C 4 f(s3) Ryd( 5f) 0.00001 0.00000 220 C 4 g(0) Ryd( 5g) 0.00009 0.00000 221 C 4 g(c1) Ryd( 5g) 0.00019 0.00000 222 C 4 g(s1) Ryd( 5g) 0.00001 0.00000 223 C 4 g(c2) Ryd( 5g) 0.00011 0.00000 224 C 4 g(s2) Ryd( 5g) 0.00014 0.00000 225 C 4 g(c3) Ryd( 5g) 0.00003 0.00000 226 C 4 g(s3) Ryd( 5g) 0.00002 0.00000 227 C 4 g(c4) Ryd( 5g) 0.00002 0.00000 228 C 4 g(s4) Ryd( 5g) 0.00003 0.00000 229 C 5 s Cor( 1s) 1.99997 0.00000 230 C 5 s Val( 2s) 0.98985 0.00000 231 C 5 s Ryd( 3s) 0.00131 0.00000 232 C 5 s Ryd( 4s) 0.00009 0.00000 233 C 5 s Ryd( 5s) 0.00001 0.00000 234 C 5 s Ryd( 6s) 0.00000 0.00000 235 C 5 s Ryd( 7s) 0.00000 0.00000 236 C 5 px Val( 2p) 1.19051 0.00000 237 C 5 px Ryd( 3p) 0.00453 0.00000 238 C 5 px Ryd( 4p) 0.00074 0.00000 239 C 5 px Ryd( 5p) 0.00005 0.00000 240 C 5 py Val( 2p) 1.11836 0.00000 241 C 5 py Ryd( 3p) 0.00295 0.00000 242 C 5 py Ryd( 4p) 0.00053 0.00000 243 C 5 py Ryd( 5p) 0.00002 0.00000 244 C 5 pz Val( 2p) 1.01493 0.00000 245 C 5 pz Ryd( 3p) 0.00540 0.00000 246 C 5 pz Ryd( 4p) 0.00049 0.00000 247 C 5 pz Ryd( 5p) 0.00006 0.00000 248 C 5 dxy Ryd( 3d) 0.00224 0.00000 249 C 5 dxy Ryd( 4d) 0.00007 0.00000 250 C 5 dxy Ryd( 5d) 0.00001 0.00000 251 C 5 dxz Ryd( 3d) 0.00122 0.00000 252 C 5 dxz Ryd( 4d) 0.00030 0.00000 253 C 5 dxz Ryd( 5d) 0.00001 0.00000 254 C 5 dyz Ryd( 3d) 0.00039 0.00000 255 C 5 dyz Ryd( 4d) 0.00046 0.00000 256 C 5 dyz Ryd( 5d) 0.00001 0.00000 257 C 5 dx2y2 Ryd( 3d) 0.00178 0.00000 258 C 5 dx2y2 Ryd( 4d) 0.00035 0.00000 259 C 5 dx2y2 Ryd( 5d) 0.00002 0.00000 260 C 5 dz2 Ryd( 3d) 0.00062 0.00000 261 C 5 dz2 Ryd( 4d) 0.00066 0.00000 262 C 5 dz2 Ryd( 5d) 0.00001 0.00000 263 C 5 f(0) Ryd( 4f) 0.00038 0.00000 264 C 5 f(0) Ryd( 5f) 0.00003 0.00000 265 C 5 f(c1) Ryd( 4f) 0.00065 0.00000 266 C 5 f(c1) Ryd( 5f) 0.00002 0.00000 267 C 5 f(s1) Ryd( 4f) 0.00015 0.00000 268 C 5 f(s1) Ryd( 5f) 0.00001 0.00000 269 C 5 f(c2) Ryd( 4f) 0.00033 0.00000 270 C 5 f(c2) Ryd( 5f) 0.00001 0.00000 271 C 5 f(s2) Ryd( 4f) 0.00013 0.00000 272 C 5 f(s2) Ryd( 5f) 0.00001 0.00000 273 C 5 f(c3) Ryd( 4f) 0.00065 0.00000 274 C 5 f(c3) Ryd( 5f) 0.00001 0.00000 275 C 5 f(s3) Ryd( 4f) 0.00057 0.00000 276 C 5 f(s3) Ryd( 5f) 0.00000 0.00000 277 C 5 g(0) Ryd( 5g) 0.00010 0.00000 278 C 5 g(c1) Ryd( 5g) 0.00019 0.00000 279 C 5 g(s1) Ryd( 5g) 0.00001 0.00000 280 C 5 g(c2) Ryd( 5g) 0.00011 0.00000 281 C 5 g(s2) Ryd( 5g) 0.00014 0.00000 282 C 5 g(c3) Ryd( 5g) 0.00002 0.00000 283 C 5 g(s3) Ryd( 5g) 0.00002 0.00000 284 C 5 g(c4) Ryd( 5g) 0.00002 0.00000 285 C 5 g(s4) Ryd( 5g) 0.00003 0.00000 286 C 6 s Cor( 1s) 1.99997 0.00000 287 C 6 s Val( 2s) 0.98582 0.00000 288 C 6 s Ryd( 3s) 0.00113 0.00000 289 C 6 s Ryd( 4s) 0.00014 0.00000 290 C 6 s Ryd( 6s) 0.00001 0.00000 291 C 6 s Ryd( 5s) 0.00000 0.00000 292 C 6 s Ryd( 7s) 0.00000 0.00000 293 C 6 px Val( 2p) 1.14038 0.00000 294 C 6 px Ryd( 3p) 0.00254 0.00000 295 C 6 px Ryd( 4p) 0.00030 0.00000 296 C 6 px Ryd( 5p) 0.00002 0.00000 297 C 6 py Val( 2p) 1.14796 0.00000 298 C 6 py Ryd( 3p) 0.00532 0.00000 299 C 6 py Ryd( 4p) 0.00049 0.00000 300 C 6 py Ryd( 5p) 0.00003 0.00000 301 C 6 pz Val( 2p) 1.01728 0.00000 302 C 6 pz Ryd( 3p) 0.00545 0.00000 303 C 6 pz Ryd( 4p) 0.00039 0.00000 304 C 6 pz Ryd( 5p) 0.00007 0.00000 305 C 6 dxy Ryd( 3d) 0.00174 0.00000 306 C 6 dxy Ryd( 4d) 0.00027 0.00000 307 C 6 dxy Ryd( 5d) 0.00002 0.00000 308 C 6 dxz Ryd( 3d) 0.00044 0.00000 309 C 6 dxz Ryd( 4d) 0.00048 0.00000 310 C 6 dxz Ryd( 5d) 0.00001 0.00000 311 C 6 dyz Ryd( 3d) 0.00110 0.00000 312 C 6 dyz Ryd( 4d) 0.00029 0.00000 313 C 6 dyz Ryd( 5d) 0.00001 0.00000 314 C 6 dx2y2 Ryd( 3d) 0.00249 0.00000 315 C 6 dx2y2 Ryd( 4d) 0.00007 0.00000 316 C 6 dx2y2 Ryd( 5d) 0.00000 0.00000 317 C 6 dz2 Ryd( 3d) 0.00064 0.00000 318 C 6 dz2 Ryd( 4d) 0.00065 0.00000 319 C 6 dz2 Ryd( 5d) 0.00001 0.00000 320 C 6 f(0) Ryd( 4f) 0.00042 0.00000 321 C 6 f(0) Ryd( 5f) 0.00003 0.00000 322 C 6 f(c1) Ryd( 4f) 0.00043 0.00000 323 C 6 f(c1) Ryd( 5f) 0.00001 0.00000 324 C 6 f(s1) Ryd( 4f) 0.00032 0.00000 325 C 6 f(s1) Ryd( 5f) 0.00002 0.00000 326 C 6 f(c2) Ryd( 4f) 0.00010 0.00000 327 C 6 f(c2) Ryd( 5f) 0.00001 0.00000 328 C 6 f(s2) Ryd( 4f) 0.00036 0.00000 329 C 6 f(s2) Ryd( 5f) 0.00001 0.00000 330 C 6 f(c3) Ryd( 4f) 0.00048 0.00000 331 C 6 f(c3) Ryd( 5f) 0.00001 0.00000 332 C 6 f(s3) Ryd( 4f) 0.00072 0.00000 333 C 6 f(s3) Ryd( 5f) 0.00001 0.00000 334 C 6 g(0) Ryd( 5g) 0.00010 0.00000 335 C 6 g(c1) Ryd( 5g) 0.00010 0.00000 336 C 6 g(s1) Ryd( 5g) 0.00010 0.00000 337 C 6 g(c2) Ryd( 5g) 0.00013 0.00000 338 C 6 g(s2) Ryd( 5g) 0.00011 0.00000 339 C 6 g(c3) Ryd( 5g) 0.00002 0.00000 340 C 6 g(s3) Ryd( 5g) 0.00003 0.00000 341 C 6 g(c4) Ryd( 5g) 0.00002 0.00000 342 C 6 g(s4) Ryd( 5g) 0.00003 0.00000 343 C 7 s Cor( 1s) 1.99997 0.00000 344 C 7 s Val( 2s) 0.98348 0.00000 345 C 7 s Ryd( 3s) 0.00142 0.00000 346 C 7 s Ryd( 4s) 0.00008 0.00000 347 C 7 s Ryd( 5s) 0.00000 0.00000 348 C 7 s Ryd( 6s) 0.00000 0.00000 349 C 7 s Ryd( 7s) 0.00000 0.00000 350 C 7 px Val( 2p) 1.06954 0.00000 351 C 7 px Ryd( 3p) 0.00322 0.00000 352 C 7 px Ryd( 4p) 0.00037 0.00000 353 C 7 px Ryd( 5p) 0.00003 0.00000 354 C 7 py Val( 2p) 1.08570 0.00000 355 C 7 py Ryd( 3p) 0.00463 0.00000 356 C 7 py Ryd( 4p) 0.00044 0.00000 357 C 7 py Ryd( 5p) 0.00004 0.00000 358 C 7 pz Val( 2p) 1.14597 0.00000 359 C 7 pz Ryd( 3p) 0.00432 0.00000 360 C 7 pz Ryd( 4p) 0.00026 0.00000 361 C 7 pz Ryd( 5p) 0.00005 0.00000 362 C 7 dxy Ryd( 3d) 0.00182 0.00000 363 C 7 dxy Ryd( 4d) 0.00031 0.00000 364 C 7 dxy Ryd( 5d) 0.00001 0.00000 365 C 7 dxz Ryd( 3d) 0.00134 0.00000 366 C 7 dxz Ryd( 4d) 0.00030 0.00000 367 C 7 dxz Ryd( 5d) 0.00001 0.00000 368 C 7 dyz Ryd( 3d) 0.00093 0.00000 369 C 7 dyz Ryd( 4d) 0.00046 0.00000 370 C 7 dyz Ryd( 5d) 0.00001 0.00000 371 C 7 dx2y2 Ryd( 3d) 0.00067 0.00000 372 C 7 dx2y2 Ryd( 4d) 0.00040 0.00000 373 C 7 dx2y2 Ryd( 5d) 0.00000 0.00000 374 C 7 dz2 Ryd( 3d) 0.00141 0.00000 375 C 7 dz2 Ryd( 4d) 0.00033 0.00000 376 C 7 dz2 Ryd( 5d) 0.00001 0.00000 377 C 7 f(0) Ryd( 4f) 0.00047 0.00000 378 C 7 f(0) Ryd( 5f) 0.00002 0.00000 379 C 7 f(c1) Ryd( 4f) 0.00054 0.00000 380 C 7 f(c1) Ryd( 5f) 0.00001 0.00000 381 C 7 f(s1) Ryd( 4f) 0.00053 0.00000 382 C 7 f(s1) Ryd( 5f) 0.00001 0.00000 383 C 7 f(c2) Ryd( 4f) 0.00012 0.00000 384 C 7 f(c2) Ryd( 5f) 0.00001 0.00000 385 C 7 f(s2) Ryd( 4f) 0.00055 0.00000 386 C 7 f(s2) Ryd( 5f) 0.00002 0.00000 387 C 7 f(c3) Ryd( 4f) 0.00030 0.00000 388 C 7 f(c3) Ryd( 5f) 0.00001 0.00000 389 C 7 f(s3) Ryd( 4f) 0.00036 0.00000 390 C 7 f(s3) Ryd( 5f) 0.00001 0.00000 391 C 7 g(0) Ryd( 5g) 0.00009 0.00000 392 C 7 g(c1) Ryd( 5g) 0.00010 0.00000 393 C 7 g(s1) Ryd( 5g) 0.00010 0.00000 394 C 7 g(c2) Ryd( 5g) 0.00016 0.00000 395 C 7 g(s2) Ryd( 5g) 0.00011 0.00000 396 C 7 g(c3) Ryd( 5g) 0.00002 0.00000 397 C 7 g(s3) Ryd( 5g) 0.00001 0.00000 398 C 7 g(c4) Ryd( 5g) 0.00002 0.00000 399 C 7 g(s4) Ryd( 5g) 0.00002 0.00000 400 C 8 s Cor( 1s) 1.99997 0.00000 401 C 8 s Val( 2s) 0.97778 0.00000 402 C 8 s Ryd( 3s) 0.00168 0.00000 403 C 8 s Ryd( 4s) 0.00011 0.00000 404 C 8 s Ryd( 5s) 0.00001 0.00000 405 C 8 s Ryd( 6s) 0.00000 0.00000 406 C 8 s Ryd( 7s) 0.00000 0.00000 407 C 8 px Val( 2p) 1.13380 0.00000 408 C 8 px Ryd( 3p) 0.00481 0.00000 409 C 8 px Ryd( 4p) 0.00049 0.00000 410 C 8 px Ryd( 5p) 0.00003 0.00000 411 C 8 py Val( 2p) 1.10244 0.00000 412 C 8 py Ryd( 3p) 0.00312 0.00000 413 C 8 py Ryd( 4p) 0.00025 0.00000 414 C 8 py Ryd( 5p) 0.00003 0.00000 415 C 8 pz Val( 2p) 1.09572 0.00000 416 C 8 pz Ryd( 3p) 0.00471 0.00000 417 C 8 pz Ryd( 4p) 0.00026 0.00000 418 C 8 pz Ryd( 5p) 0.00005 0.00000 419 C 8 dxy Ryd( 3d) 0.00196 0.00000 420 C 8 dxy Ryd( 4d) 0.00020 0.00000 421 C 8 dxy Ryd( 5d) 0.00002 0.00000 422 C 8 dxz Ryd( 3d) 0.00069 0.00000 423 C 8 dxz Ryd( 4d) 0.00049 0.00000 424 C 8 dxz Ryd( 5d) 0.00001 0.00000 425 C 8 dyz Ryd( 3d) 0.00086 0.00000 426 C 8 dyz Ryd( 4d) 0.00050 0.00000 427 C 8 dyz Ryd( 5d) 0.00001 0.00000 428 C 8 dx2y2 Ryd( 3d) 0.00126 0.00000 429 C 8 dx2y2 Ryd( 4d) 0.00025 0.00000 430 C 8 dx2y2 Ryd( 5d) 0.00001 0.00000 431 C 8 dz2 Ryd( 3d) 0.00150 0.00000 432 C 8 dz2 Ryd( 4d) 0.00025 0.00000 433 C 8 dz2 Ryd( 5d) 0.00001 0.00000 434 C 8 f(0) Ryd( 4f) 0.00050 0.00000 435 C 8 f(0) Ryd( 5f) 0.00001 0.00000 436 C 8 f(c1) Ryd( 4f) 0.00036 0.00000 437 C 8 f(c1) Ryd( 5f) 0.00002 0.00000 438 C 8 f(s1) Ryd( 4f) 0.00049 0.00000 439 C 8 f(s1) Ryd( 5f) 0.00002 0.00000 440 C 8 f(c2) Ryd( 4f) 0.00015 0.00000 441 C 8 f(c2) Ryd( 5f) 0.00000 0.00000 442 C 8 f(s2) Ryd( 4f) 0.00056 0.00000 443 C 8 f(s2) Ryd( 5f) 0.00002 0.00000 444 C 8 f(c3) Ryd( 4f) 0.00050 0.00000 445 C 8 f(c3) Ryd( 5f) 0.00001 0.00000 446 C 8 f(s3) Ryd( 4f) 0.00034 0.00000 447 C 8 f(s3) Ryd( 5f) 0.00001 0.00000 448 C 8 g(0) Ryd( 5g) 0.00012 0.00000 449 C 8 g(c1) Ryd( 5g) 0.00010 0.00000 450 C 8 g(s1) Ryd( 5g) 0.00011 0.00000 451 C 8 g(c2) Ryd( 5g) 0.00009 0.00000 452 C 8 g(s2) Ryd( 5g) 0.00008 0.00000 453 C 8 g(c3) Ryd( 5g) 0.00004 0.00000 454 C 8 g(s3) Ryd( 5g) 0.00004 0.00000 455 C 8 g(c4) Ryd( 5g) 0.00003 0.00000 456 C 8 g(s4) Ryd( 5g) 0.00001 0.00000 457 C 9 s Cor( 1s) 1.99997 0.00000 458 C 9 s Val( 2s) 0.97735 0.00000 459 C 9 s Ryd( 3s) 0.00174 0.00000 460 C 9 s Ryd( 4s) 0.00012 0.00000 461 C 9 s Ryd( 5s) 0.00001 0.00000 462 C 9 s Ryd( 6s) 0.00000 0.00000 463 C 9 s Ryd( 7s) 0.00000 0.00000 464 C 9 px Val( 2p) 1.14172 0.00000 465 C 9 px Ryd( 3p) 0.00471 0.00000 466 C 9 px Ryd( 4p) 0.00051 0.00000 467 C 9 px Ryd( 5p) 0.00003 0.00000 468 C 9 py Val( 2p) 1.14117 0.00000 469 C 9 py Ryd( 3p) 0.00260 0.00000 470 C 9 py Ryd( 4p) 0.00019 0.00000 471 C 9 py Ryd( 5p) 0.00003 0.00000 472 C 9 pz Val( 2p) 1.04919 0.00000 473 C 9 pz Ryd( 3p) 0.00513 0.00000 474 C 9 pz Ryd( 4p) 0.00032 0.00000 475 C 9 pz Ryd( 5p) 0.00006 0.00000 476 C 9 dxy Ryd( 3d) 0.00185 0.00000 477 C 9 dxy Ryd( 4d) 0.00021 0.00000 478 C 9 dxy Ryd( 5d) 0.00002 0.00000 479 C 9 dxz Ryd( 3d) 0.00088 0.00000 480 C 9 dxz Ryd( 4d) 0.00044 0.00000 481 C 9 dxz Ryd( 5d) 0.00001 0.00000 482 C 9 dyz Ryd( 3d) 0.00049 0.00000 483 C 9 dyz Ryd( 4d) 0.00052 0.00000 484 C 9 dyz Ryd( 5d) 0.00000 0.00000 485 C 9 dx2y2 Ryd( 3d) 0.00197 0.00000 486 C 9 dx2y2 Ryd( 4d) 0.00015 0.00000 487 C 9 dx2y2 Ryd( 5d) 0.00001 0.00000 488 C 9 dz2 Ryd( 3d) 0.00117 0.00000 489 C 9 dz2 Ryd( 4d) 0.00039 0.00000 490 C 9 dz2 Ryd( 5d) 0.00001 0.00000 491 C 9 f(0) Ryd( 4f) 0.00056 0.00000 492 C 9 f(0) Ryd( 5f) 0.00002 0.00000 493 C 9 f(c1) Ryd( 4f) 0.00025 0.00000 494 C 9 f(c1) Ryd( 5f) 0.00002 0.00000 495 C 9 f(s1) Ryd( 4f) 0.00034 0.00000 496 C 9 f(s1) Ryd( 5f) 0.00002 0.00000 497 C 9 f(c2) Ryd( 4f) 0.00013 0.00000 498 C 9 f(c2) Ryd( 5f) 0.00001 0.00000 499 C 9 f(s2) Ryd( 4f) 0.00051 0.00000 500 C 9 f(s2) Ryd( 5f) 0.00001 0.00000 501 C 9 f(c3) Ryd( 4f) 0.00066 0.00000 502 C 9 f(c3) Ryd( 5f) 0.00001 0.00000 503 C 9 f(s3) Ryd( 4f) 0.00043 0.00000 504 C 9 f(s3) Ryd( 5f) 0.00001 0.00000 505 C 9 g(0) Ryd( 5g) 0.00014 0.00000 506 C 9 g(c1) Ryd( 5g) 0.00011 0.00000 507 C 9 g(s1) Ryd( 5g) 0.00012 0.00000 508 C 9 g(c2) Ryd( 5g) 0.00001 0.00000 509 C 9 g(s2) Ryd( 5g) 0.00007 0.00000 510 C 9 g(c3) Ryd( 5g) 0.00006 0.00000 511 C 9 g(s3) Ryd( 5g) 0.00009 0.00000 512 C 9 g(c4) Ryd( 5g) 0.00002 0.00000 513 C 9 g(s4) Ryd( 5g) 0.00000 0.00000 514 C 10 s Cor( 1s) 1.99997 0.00000 515 C 10 s Val( 2s) 0.98317 0.00000 516 C 10 s Ryd( 3s) 0.00150 0.00000 517 C 10 s Ryd( 4s) 0.00008 0.00000 518 C 10 s Ryd( 5s) 0.00001 0.00000 519 C 10 s Ryd( 6s) 0.00000 0.00000 520 C 10 s Ryd( 7s) 0.00000 0.00000 521 C 10 px Val( 2p) 1.07049 0.00000 522 C 10 px Ryd( 3p) 0.00342 0.00000 523 C 10 px Ryd( 4p) 0.00039 0.00000 524 C 10 px Ryd( 5p) 0.00003 0.00000 525 C 10 py Val( 2p) 1.06264 0.00000 526 C 10 py Ryd( 3p) 0.00425 0.00000 527 C 10 py Ryd( 4p) 0.00037 0.00000 528 C 10 py Ryd( 5p) 0.00004 0.00000 529 C 10 pz Val( 2p) 1.17718 0.00000 530 C 10 pz Ryd( 3p) 0.00441 0.00000 531 C 10 pz Ryd( 4p) 0.00033 0.00000 532 C 10 pz Ryd( 5p) 0.00005 0.00000 533 C 10 dxy Ryd( 3d) 0.00141 0.00000 534 C 10 dxy Ryd( 4d) 0.00041 0.00000 535 C 10 dxy Ryd( 5d) 0.00001 0.00000 536 C 10 dxz Ryd( 3d) 0.00193 0.00000 537 C 10 dxz Ryd( 4d) 0.00018 0.00000 538 C 10 dxz Ryd( 5d) 0.00001 0.00000 539 C 10 dyz Ryd( 3d) 0.00189 0.00000 540 C 10 dyz Ryd( 4d) 0.00019 0.00000 541 C 10 dyz Ryd( 5d) 0.00001 0.00000 542 C 10 dx2y2 Ryd( 3d) 0.00019 0.00000 543 C 10 dx2y2 Ryd( 4d) 0.00049 0.00000 544 C 10 dx2y2 Ryd( 5d) 0.00000 0.00000 545 C 10 dz2 Ryd( 3d) 0.00096 0.00000 546 C 10 dz2 Ryd( 4d) 0.00052 0.00000 547 C 10 dz2 Ryd( 5d) 0.00001 0.00000 548 C 10 f(0) Ryd( 4f) 0.00064 0.00000 549 C 10 f(0) Ryd( 5f) 0.00001 0.00000 550 C 10 f(c1) Ryd( 4f) 0.00052 0.00000 551 C 10 f(c1) Ryd( 5f) 0.00001 0.00000 552 C 10 f(s1) Ryd( 4f) 0.00047 0.00000 553 C 10 f(s1) Ryd( 5f) 0.00001 0.00000 554 C 10 f(c2) Ryd( 4f) 0.00005 0.00000 555 C 10 f(c2) Ryd( 5f) 0.00001 0.00000 556 C 10 f(s2) Ryd( 4f) 0.00053 0.00000 557 C 10 f(s2) Ryd( 5f) 0.00001 0.00000 558 C 10 f(c3) Ryd( 4f) 0.00031 0.00000 559 C 10 f(c3) Ryd( 5f) 0.00001 0.00000 560 C 10 f(s3) Ryd( 4f) 0.00034 0.00000 561 C 10 f(s3) Ryd( 5f) 0.00001 0.00000 562 C 10 g(0) Ryd( 5g) 0.00012 0.00000 563 C 10 g(c1) Ryd( 5g) 0.00010 0.00000 564 C 10 g(s1) Ryd( 5g) 0.00013 0.00000 565 C 10 g(c2) Ryd( 5g) 0.00003 0.00000 566 C 10 g(s2) Ryd( 5g) 0.00011 0.00000 567 C 10 g(c3) Ryd( 5g) 0.00005 0.00000 568 C 10 g(s3) Ryd( 5g) 0.00007 0.00000 569 C 10 g(c4) Ryd( 5g) 0.00002 0.00000 570 C 10 g(s4) Ryd( 5g) 0.00001 0.00000 571 H 11 s Val( 1s) 0.75950 0.00000 572 H 11 s Ryd( 3s) 0.00055 0.00000 573 H 11 s Ryd( 2s) 0.00041 0.00000 574 H 11 s Ryd( 4s) 0.00001 0.00000 575 H 11 px Ryd( 2p) 0.00030 0.00000 576 H 11 px Ryd( 3p) 0.00003 0.00000 577 H 11 px Ryd( 4p) 0.00001 0.00000 578 H 11 py Ryd( 2p) 0.00020 0.00000 579 H 11 py Ryd( 3p) 0.00007 0.00000 580 H 11 py Ryd( 4p) 0.00001 0.00000 581 H 11 pz Ryd( 2p) 0.00080 0.00000 582 H 11 pz Ryd( 3p) 0.00008 0.00000 583 H 11 pz Ryd( 4p) 0.00001 0.00000 584 H 11 dxy Ryd( 3d) 0.00001 0.00000 585 H 11 dxy Ryd( 4d) 0.00000 0.00000 586 H 11 dxz Ryd( 3d) 0.00010 0.00000 587 H 11 dxz Ryd( 4d) 0.00000 0.00000 588 H 11 dyz Ryd( 3d) 0.00009 0.00000 589 H 11 dyz Ryd( 4d) 0.00000 0.00000 590 H 11 dx2y2 Ryd( 3d) 0.00002 0.00000 591 H 11 dx2y2 Ryd( 4d) 0.00000 0.00000 592 H 11 dz2 Ryd( 3d) 0.00014 0.00000 593 H 11 dz2 Ryd( 4d) 0.00001 0.00000 594 H 11 f(0) Ryd( 4f) 0.00004 0.00000 595 H 11 f(c1) Ryd( 4f) 0.00002 0.00000 596 H 11 f(s1) Ryd( 4f) 0.00001 0.00000 597 H 11 f(c2) Ryd( 4f) 0.00000 0.00000 598 H 11 f(s2) Ryd( 4f) 0.00000 0.00000 599 H 11 f(c3) Ryd( 4f) 0.00000 0.00000 600 H 11 f(s3) Ryd( 4f) 0.00000 0.00000 601 H 12 s Val( 1s) 0.77558 0.00000 602 H 12 s Ryd( 2s) 0.00045 0.00000 603 H 12 s Ryd( 3s) 0.00035 0.00000 604 H 12 s Ryd( 4s) 0.00001 0.00000 605 H 12 px Ryd( 2p) 0.00077 0.00000 606 H 12 px Ryd( 3p) 0.00007 0.00000 607 H 12 px Ryd( 4p) 0.00001 0.00000 608 H 12 py Ryd( 2p) 0.00016 0.00000 609 H 12 py Ryd( 3p) 0.00010 0.00000 610 H 12 py Ryd( 4p) 0.00001 0.00000 611 H 12 pz Ryd( 2p) 0.00037 0.00000 612 H 12 pz Ryd( 3p) 0.00004 0.00000 613 H 12 pz Ryd( 4p) 0.00001 0.00000 614 H 12 dxy Ryd( 3d) 0.00008 0.00000 615 H 12 dxy Ryd( 4d) 0.00000 0.00000 616 H 12 dxz Ryd( 3d) 0.00012 0.00000 617 H 12 dxz Ryd( 4d) 0.00001 0.00000 618 H 12 dyz Ryd( 3d) 0.00003 0.00000 619 H 12 dyz Ryd( 4d) 0.00000 0.00000 620 H 12 dx2y2 Ryd( 3d) 0.00009 0.00000 621 H 12 dx2y2 Ryd( 4d) 0.00000 0.00000 622 H 12 dz2 Ryd( 3d) 0.00007 0.00000 623 H 12 dz2 Ryd( 4d) 0.00000 0.00000 624 H 12 f(0) Ryd( 4f) 0.00001 0.00000 625 H 12 f(c1) Ryd( 4f) 0.00001 0.00000 626 H 12 f(s1) Ryd( 4f) 0.00000 0.00000 627 H 12 f(c2) Ryd( 4f) 0.00003 0.00000 628 H 12 f(s2) Ryd( 4f) 0.00000 0.00000 629 H 12 f(c3) Ryd( 4f) 0.00002 0.00000 630 H 12 f(s3) Ryd( 4f) 0.00000 0.00000 631 H 13 s Val( 1s) 0.77390 0.00000 632 H 13 s Ryd( 2s) 0.00045 0.00000 633 H 13 s Ryd( 3s) 0.00033 0.00000 634 H 13 s Ryd( 4s) 0.00001 0.00000 635 H 13 px Ryd( 2p) 0.00067 0.00000 636 H 13 px Ryd( 3p) 0.00006 0.00000 637 H 13 px Ryd( 4p) 0.00001 0.00000 638 H 13 py Ryd( 2p) 0.00012 0.00000 639 H 13 py Ryd( 3p) 0.00010 0.00000 640 H 13 py Ryd( 4p) 0.00001 0.00000 641 H 13 pz Ryd( 2p) 0.00053 0.00000 642 H 13 pz Ryd( 3p) 0.00004 0.00000 643 H 13 pz Ryd( 4p) 0.00001 0.00000 644 H 13 dxy Ryd( 3d) 0.00007 0.00000 645 H 13 dxy Ryd( 4d) 0.00000 0.00000 646 H 13 dxz Ryd( 3d) 0.00010 0.00000 647 H 13 dxz Ryd( 4d) 0.00001 0.00000 648 H 13 dyz Ryd( 3d) 0.00006 0.00000 649 H 13 dyz Ryd( 4d) 0.00000 0.00000 650 H 13 dx2y2 Ryd( 3d) 0.00006 0.00000 651 H 13 dx2y2 Ryd( 4d) 0.00000 0.00000 652 H 13 dz2 Ryd( 3d) 0.00009 0.00000 653 H 13 dz2 Ryd( 4d) 0.00000 0.00000 654 H 13 f(0) Ryd( 4f) 0.00001 0.00000 655 H 13 f(c1) Ryd( 4f) 0.00002 0.00000 656 H 13 f(s1) Ryd( 4f) 0.00000 0.00000 657 H 13 f(c2) Ryd( 4f) 0.00003 0.00000 658 H 13 f(s2) Ryd( 4f) 0.00000 0.00000 659 H 13 f(c3) Ryd( 4f) 0.00001 0.00000 660 H 13 f(s3) Ryd( 4f) 0.00000 0.00000 661 H 14 s Val( 1s) 0.75770 0.00000 662 H 14 s Ryd( 3s) 0.00076 0.00000 663 H 14 s Ryd( 2s) 0.00042 0.00000 664 H 14 s Ryd( 4s) 0.00001 0.00000 665 H 14 px Ryd( 2p) 0.00043 0.00000 666 H 14 px Ryd( 3p) 0.00005 0.00000 667 H 14 px Ryd( 4p) 0.00001 0.00000 668 H 14 py Ryd( 2p) 0.00020 0.00000 669 H 14 py Ryd( 3p) 0.00008 0.00000 670 H 14 py Ryd( 4p) 0.00001 0.00000 671 H 14 pz Ryd( 2p) 0.00075 0.00000 672 H 14 pz Ryd( 3p) 0.00006 0.00000 673 H 14 pz Ryd( 4p) 0.00001 0.00000 674 H 14 dxy Ryd( 3d) 0.00002 0.00000 675 H 14 dxy Ryd( 4d) 0.00000 0.00000 676 H 14 dxz Ryd( 3d) 0.00010 0.00000 677 H 14 dxz Ryd( 4d) 0.00000 0.00000 678 H 14 dyz Ryd( 3d) 0.00010 0.00000 679 H 14 dyz Ryd( 4d) 0.00000 0.00000 680 H 14 dx2y2 Ryd( 3d) 0.00004 0.00000 681 H 14 dx2y2 Ryd( 4d) 0.00000 0.00000 682 H 14 dz2 Ryd( 3d) 0.00010 0.00000 683 H 14 dz2 Ryd( 4d) 0.00001 0.00000 684 H 14 f(0) Ryd( 4f) 0.00002 0.00000 685 H 14 f(c1) Ryd( 4f) 0.00003 0.00000 686 H 14 f(s1) Ryd( 4f) 0.00000 0.00000 687 H 14 f(c2) Ryd( 4f) 0.00001 0.00000 688 H 14 f(s2) Ryd( 4f) 0.00000 0.00000 689 H 14 f(c3) Ryd( 4f) 0.00000 0.00000 690 H 14 f(s3) Ryd( 4f) 0.00000 0.00000 691 H 15 s Val( 1s) 0.74286 0.00000 692 H 15 s Ryd( 3s) 0.00163 0.00000 693 H 15 s Ryd( 2s) 0.00047 0.00000 694 H 15 s Ryd( 4s) 0.00001 0.00000 695 H 15 px Ryd( 2p) 0.00084 0.00000 696 H 15 px Ryd( 3p) 0.00009 0.00000 697 H 15 px Ryd( 4p) 0.00001 0.00000 698 H 15 py Ryd( 2p) 0.00031 0.00000 699 H 15 py Ryd( 3p) 0.00003 0.00000 700 H 15 py Ryd( 4p) 0.00000 0.00000 701 H 15 pz Ryd( 2p) 0.00034 0.00000 702 H 15 pz Ryd( 3p) 0.00004 0.00000 703 H 15 pz Ryd( 4p) 0.00001 0.00000 704 H 15 dxy Ryd( 3d) 0.00011 0.00000 705 H 15 dxy Ryd( 4d) 0.00000 0.00000 706 H 15 dxz Ryd( 3d) 0.00012 0.00000 707 H 15 dxz Ryd( 4d) 0.00000 0.00000 708 H 15 dyz Ryd( 3d) 0.00001 0.00000 709 H 15 dyz Ryd( 4d) 0.00000 0.00000 710 H 15 dx2y2 Ryd( 3d) 0.00008 0.00000 711 H 15 dx2y2 Ryd( 4d) 0.00001 0.00000 712 H 15 dz2 Ryd( 3d) 0.00005 0.00000 713 H 15 dz2 Ryd( 4d) 0.00000 0.00000 714 H 15 f(0) Ryd( 4f) 0.00001 0.00000 715 H 15 f(c1) Ryd( 4f) 0.00002 0.00000 716 H 15 f(s1) Ryd( 4f) 0.00000 0.00000 717 H 15 f(c2) Ryd( 4f) 0.00001 0.00000 718 H 15 f(s2) Ryd( 4f) 0.00000 0.00000 719 H 15 f(c3) Ryd( 4f) 0.00004 0.00000 720 H 15 f(s3) Ryd( 4f) 0.00000 0.00000 721 H 16 s Val( 1s) 0.74870 0.00000 722 H 16 s Ryd( 3s) 0.00046 0.00000 723 H 16 s Ryd( 2s) 0.00040 0.00000 724 H 16 s Ryd( 4s) 0.00001 0.00000 725 H 16 px Ryd( 2p) 0.00070 0.00000 726 H 16 px Ryd( 3p) 0.00007 0.00000 727 H 16 px Ryd( 4p) 0.00001 0.00000 728 H 16 py Ryd( 2p) 0.00048 0.00000 729 H 16 py Ryd( 3p) 0.00010 0.00000 730 H 16 py Ryd( 4p) 0.00001 0.00000 731 H 16 pz Ryd( 2p) 0.00029 0.00000 732 H 16 pz Ryd( 3p) 0.00002 0.00000 733 H 16 pz Ryd( 4p) 0.00001 0.00000 734 H 16 dxy Ryd( 3d) 0.00009 0.00000 735 H 16 dxy Ryd( 4d) 0.00001 0.00000 736 H 16 dxz Ryd( 3d) 0.00006 0.00000 737 H 16 dxz Ryd( 4d) 0.00000 0.00000 738 H 16 dyz Ryd( 3d) 0.00006 0.00000 739 H 16 dyz Ryd( 4d) 0.00000 0.00000 740 H 16 dx2y2 Ryd( 3d) 0.00011 0.00000 741 H 16 dx2y2 Ryd( 4d) 0.00000 0.00000 742 H 16 dz2 Ryd( 3d) 0.00005 0.00000 743 H 16 dz2 Ryd( 4d) 0.00000 0.00000 744 H 16 f(0) Ryd( 4f) 0.00001 0.00000 745 H 16 f(c1) Ryd( 4f) 0.00001 0.00000 746 H 16 f(s1) Ryd( 4f) 0.00001 0.00000 747 H 16 f(c2) Ryd( 4f) 0.00000 0.00000 748 H 16 f(s2) Ryd( 4f) 0.00001 0.00000 749 H 16 f(c3) Ryd( 4f) 0.00001 0.00000 750 H 16 f(s3) Ryd( 4f) 0.00002 0.00000 751 H 17 s Val( 1s) 0.75706 0.00000 752 H 17 s Ryd( 3s) 0.00060 0.00000 753 H 17 s Ryd( 2s) 0.00034 0.00000 754 H 17 s Ryd( 4s) 0.00001 0.00000 755 H 17 px Ryd( 2p) 0.00032 0.00000 756 H 17 px Ryd( 3p) 0.00004 0.00000 757 H 17 px Ryd( 4p) 0.00001 0.00000 758 H 17 py Ryd( 2p) 0.00025 0.00000 759 H 17 py Ryd( 3p) 0.00007 0.00000 760 H 17 py Ryd( 4p) 0.00001 0.00000 761 H 17 pz Ryd( 2p) 0.00077 0.00000 762 H 17 pz Ryd( 3p) 0.00006 0.00000 763 H 17 pz Ryd( 4p) 0.00001 0.00000 764 H 17 dxy Ryd( 3d) 0.00004 0.00000 765 H 17 dxy Ryd( 4d) 0.00000 0.00000 766 H 17 dxz Ryd( 3d) 0.00007 0.00000 767 H 17 dxz Ryd( 4d) 0.00000 0.00000 768 H 17 dyz Ryd( 3d) 0.00013 0.00000 769 H 17 dyz Ryd( 4d) 0.00000 0.00000 770 H 17 dx2y2 Ryd( 3d) 0.00003 0.00000 771 H 17 dx2y2 Ryd( 4d) 0.00000 0.00000 772 H 17 dz2 Ryd( 3d) 0.00011 0.00000 773 H 17 dz2 Ryd( 4d) 0.00001 0.00000 774 H 17 f(0) Ryd( 4f) 0.00002 0.00000 775 H 17 f(c1) Ryd( 4f) 0.00001 0.00000 776 H 17 f(s1) Ryd( 4f) 0.00003 0.00000 777 H 17 f(c2) Ryd( 4f) 0.00000 0.00000 778 H 17 f(s2) Ryd( 4f) 0.00001 0.00000 779 H 17 f(c3) Ryd( 4f) 0.00000 0.00000 780 H 17 f(s3) Ryd( 4f) 0.00000 0.00000 781 H 18 s Val( 1s) 0.77096 0.00000 782 H 18 s Ryd( 3s) 0.00045 0.00000 783 H 18 s Ryd( 2s) 0.00039 0.00000 784 H 18 s Ryd( 4s) 0.00001 0.00000 785 H 18 px Ryd( 2p) 0.00036 0.00000 786 H 18 px Ryd( 3p) 0.00010 0.00000 787 H 18 px Ryd( 4p) 0.00001 0.00000 788 H 18 py Ryd( 2p) 0.00045 0.00000 789 H 18 py Ryd( 3p) 0.00006 0.00000 790 H 18 py Ryd( 4p) 0.00001 0.00000 791 H 18 pz Ryd( 2p) 0.00059 0.00000 792 H 18 pz Ryd( 3p) 0.00005 0.00000 793 H 18 pz Ryd( 4p) 0.00001 0.00000 794 H 18 dxy Ryd( 3d) 0.00006 0.00000 795 H 18 dxy Ryd( 4d) 0.00000 0.00000 796 H 18 dxz Ryd( 3d) 0.00011 0.00000 797 H 18 dxz Ryd( 4d) 0.00000 0.00000 798 H 18 dyz Ryd( 3d) 0.00006 0.00000 799 H 18 dyz Ryd( 4d) 0.00000 0.00000 800 H 18 dx2y2 Ryd( 3d) 0.00006 0.00000 801 H 18 dx2y2 Ryd( 4d) 0.00000 0.00000 802 H 18 dz2 Ryd( 3d) 0.00010 0.00000 803 H 18 dz2 Ryd( 4d) 0.00000 0.00000 804 H 18 f(0) Ryd( 4f) 0.00001 0.00000 805 H 18 f(c1) Ryd( 4f) 0.00002 0.00000 806 H 18 f(s1) Ryd( 4f) 0.00001 0.00000 807 H 18 f(c2) Ryd( 4f) 0.00000 0.00000 808 H 18 f(s2) Ryd( 4f) 0.00003 0.00000 809 H 18 f(c3) Ryd( 4f) 0.00000 0.00000 810 H 18 f(s3) Ryd( 4f) 0.00000 0.00000 811 H 19 s Val( 1s) 0.77115 0.00000 812 H 19 s Ryd( 3s) 0.00047 0.00000 813 H 19 s Ryd( 2s) 0.00043 0.00000 814 H 19 s Ryd( 4s) 0.00001 0.00000 815 H 19 px Ryd( 2p) 0.00039 0.00000 816 H 19 px Ryd( 3p) 0.00011 0.00000 817 H 19 px Ryd( 4p) 0.00001 0.00000 818 H 19 py Ryd( 2p) 0.00065 0.00000 819 H 19 py Ryd( 3p) 0.00007 0.00000 820 H 19 py Ryd( 4p) 0.00001 0.00000 821 H 19 pz Ryd( 2p) 0.00034 0.00000 822 H 19 pz Ryd( 3p) 0.00003 0.00000 823 H 19 pz Ryd( 4p) 0.00001 0.00000 824 H 19 dxy Ryd( 3d) 0.00009 0.00000 825 H 19 dxy Ryd( 4d) 0.00000 0.00000 826 H 19 dxz Ryd( 3d) 0.00008 0.00000 827 H 19 dxz Ryd( 4d) 0.00000 0.00000 828 H 19 dyz Ryd( 3d) 0.00007 0.00000 829 H 19 dyz Ryd( 4d) 0.00000 0.00000 830 H 19 dx2y2 Ryd( 3d) 0.00009 0.00000 831 H 19 dx2y2 Ryd( 4d) 0.00000 0.00000 832 H 19 dz2 Ryd( 3d) 0.00007 0.00000 833 H 19 dz2 Ryd( 4d) 0.00000 0.00000 834 H 19 f(0) Ryd( 4f) 0.00001 0.00000 835 H 19 f(c1) Ryd( 4f) 0.00000 0.00000 836 H 19 f(s1) Ryd( 4f) 0.00001 0.00000 837 H 19 f(c2) Ryd( 4f) 0.00000 0.00000 838 H 19 f(s2) Ryd( 4f) 0.00003 0.00000 839 H 19 f(c3) Ryd( 4f) 0.00002 0.00000 840 H 19 f(s3) Ryd( 4f) 0.00001 0.00000 841 H 20 s Val( 1s) 0.75791 0.00000 842 H 20 s Ryd( 3s) 0.00051 0.00000 843 H 20 s Ryd( 2s) 0.00034 0.00000 844 H 20 s Ryd( 4s) 0.00001 0.00000 845 H 20 px Ryd( 2p) 0.00026 0.00000 846 H 20 px Ryd( 3p) 0.00004 0.00000 847 H 20 px Ryd( 4p) 0.00001 0.00000 848 H 20 py Ryd( 2p) 0.00018 0.00000 849 H 20 py Ryd( 3p) 0.00005 0.00000 850 H 20 py Ryd( 4p) 0.00001 0.00000 851 H 20 pz Ryd( 2p) 0.00086 0.00000 852 H 20 pz Ryd( 3p) 0.00009 0.00000 853 H 20 pz Ryd( 4p) 0.00001 0.00000 854 H 20 dxy Ryd( 3d) 0.00002 0.00000 855 H 20 dxy Ryd( 4d) 0.00000 0.00000 856 H 20 dxz Ryd( 3d) 0.00010 0.00000 857 H 20 dxz Ryd( 4d) 0.00000 0.00000 858 H 20 dyz Ryd( 3d) 0.00012 0.00000 859 H 20 dyz Ryd( 4d) 0.00000 0.00000 860 H 20 dx2y2 Ryd( 3d) 0.00001 0.00000 861 H 20 dx2y2 Ryd( 4d) 0.00000 0.00000 862 H 20 dz2 Ryd( 3d) 0.00014 0.00000 863 H 20 dz2 Ryd( 4d) 0.00001 0.00000 864 H 20 f(0) Ryd( 4f) 0.00005 0.00000 865 H 20 f(c1) Ryd( 4f) 0.00002 0.00000 866 H 20 f(s1) Ryd( 4f) 0.00001 0.00000 867 H 20 f(c2) Ryd( 4f) 0.00000 0.00000 868 H 20 f(s2) Ryd( 4f) 0.00000 0.00000 869 H 20 f(c3) Ryd( 4f) 0.00000 0.00000 870 H 20 f(s3) Ryd( 4f) 0.00000 0.00000 871 S 21 s Cor( 1s) 2.00000 0.00000 872 S 21 s Cor( 2s) 2.00000 0.00000 873 S 21 s Val( 3s) 1.76481 0.00000 874 S 21 s Ryd( 4s) 0.00370 0.00000 875 S 21 s Ryd( 6s) 0.00005 0.00000 876 S 21 s Ryd( 5s) 0.00000 0.00000 877 S 21 s Ryd( 7s) 0.00000 0.00000 878 S 21 s Ryd( 9s) 0.00000 0.00000 879 S 21 s Ryd( 8s) 0.00000 0.00000 880 S 21 px Cor( 2p) 2.00000 0.00000 881 S 21 px Val( 3p) 1.16868 0.00000 882 S 21 px Ryd( 4p) 0.00256 0.00000 883 S 21 px Ryd( 5p) 0.00019 0.00000 884 S 21 px Ryd( 6p) 0.00001 0.00000 885 S 21 px Ryd( 7p) 0.00000 0.00000 886 S 21 py Cor( 2p) 2.00000 0.00000 887 S 21 py Val( 3p) 1.65031 0.00000 888 S 21 py Ryd( 4p) 0.00112 0.00000 889 S 21 py Ryd( 5p) 0.00014 0.00000 890 S 21 py Ryd( 6p) 0.00002 0.00000 891 S 21 py Ryd( 7p) 0.00000 0.00000 892 S 21 pz Cor( 2p) 2.00000 0.00000 893 S 21 pz Val( 3p) 1.80097 0.00000 894 S 21 pz Ryd( 4p) 0.00102 0.00000 895 S 21 pz Ryd( 5p) 0.00018 0.00000 896 S 21 pz Ryd( 6p) 0.00001 0.00000 897 S 21 pz Ryd( 7p) 0.00000 0.00000 898 S 21 dxy Ryd( 3d) 0.00987 0.00000 899 S 21 dxy Ryd( 4d) 0.00033 0.00000 900 S 21 dxy Ryd( 5d) 0.00000 0.00000 901 S 21 dxy Ryd( 6d) 0.00000 0.00000 902 S 21 dxz Ryd( 3d) 0.00506 0.00000 903 S 21 dxz Ryd( 4d) 0.00060 0.00000 904 S 21 dxz Ryd( 5d) 0.00001 0.00000 905 S 21 dxz Ryd( 6d) 0.00000 0.00000 906 S 21 dyz Ryd( 3d) 0.00509 0.00000 907 S 21 dyz Ryd( 4d) 0.00041 0.00000 908 S 21 dyz Ryd( 5d) 0.00001 0.00000 909 S 21 dyz Ryd( 6d) 0.00000 0.00000 910 S 21 dx2y2 Ryd( 3d) 0.00451 0.00000 911 S 21 dx2y2 Ryd( 4d) 0.00078 0.00000 912 S 21 dx2y2 Ryd( 5d) 0.00001 0.00000 913 S 21 dx2y2 Ryd( 6d) 0.00000 0.00000 914 S 21 dz2 Ryd( 3d) 0.00389 0.00000 915 S 21 dz2 Ryd( 4d) 0.00027 0.00000 916 S 21 dz2 Ryd( 5d) 0.00001 0.00000 917 S 21 dz2 Ryd( 6d) 0.00000 0.00000 918 S 21 f(0) Ryd( 4f) 0.00022 0.00000 919 S 21 f(0) Ryd( 5f) 0.00002 0.00000 920 S 21 f(c1) Ryd( 4f) 0.00040 0.00000 921 S 21 f(c1) Ryd( 5f) 0.00001 0.00000 922 S 21 f(s1) Ryd( 4f) 0.00021 0.00000 923 S 21 f(s1) Ryd( 5f) 0.00001 0.00000 924 S 21 f(c2) Ryd( 4f) 0.00019 0.00000 925 S 21 f(c2) Ryd( 5f) 0.00002 0.00000 926 S 21 f(s2) Ryd( 4f) 0.00037 0.00000 927 S 21 f(s2) Ryd( 5f) 0.00002 0.00000 928 S 21 f(c3) Ryd( 4f) 0.00029 0.00000 929 S 21 f(c3) Ryd( 5f) 0.00004 0.00000 930 S 21 f(s3) Ryd( 4f) 0.00075 0.00000 931 S 21 f(s3) Ryd( 5f) 0.00002 0.00000 932 S 21 g(0) Ryd( 5g) 0.00001 0.00000 933 S 21 g(c1) Ryd( 5g) 0.00002 0.00000 934 S 21 g(s1) Ryd( 5g) 0.00000 0.00000 935 S 21 g(c2) Ryd( 5g) 0.00001 0.00000 936 S 21 g(s2) Ryd( 5g) 0.00002 0.00000 937 S 21 g(c3) Ryd( 5g) 0.00000 0.00000 938 S 21 g(s3) Ryd( 5g) 0.00001 0.00000 939 S 21 g(c4) Ryd( 5g) 0.00003 0.00000 940 S 21 g(s4) Ryd( 5g) 0.00005 0.00000 941 S 22 s Cor( 1s) 2.00000 0.00000 942 S 22 s Cor( 2s) 2.00000 0.00000 943 S 22 s Val( 3s) 1.76882 0.00000 944 S 22 s Ryd( 4s) 0.00643 0.00000 945 S 22 s Ryd( 5s) 0.00006 0.00000 946 S 22 s Ryd( 6s) 0.00000 0.00000 947 S 22 s Ryd( 7s) 0.00000 0.00000 948 S 22 s Ryd( 8s) 0.00000 0.00000 949 S 22 s Ryd( 9s) 0.00000 0.00000 950 S 22 px Cor( 2p) 1.99999 0.00000 951 S 22 px Val( 3p) 1.24364 0.00000 952 S 22 px Ryd( 4p) 0.00525 0.00000 953 S 22 px Ryd( 5p) 0.00025 0.00000 954 S 22 px Ryd( 6p) 0.00000 0.00000 955 S 22 px Ryd( 7p) 0.00000 0.00000 956 S 22 py Cor( 2p) 1.99999 0.00000 957 S 22 py Val( 3p) 1.67606 0.00000 958 S 22 py Ryd( 4p) 0.00460 0.00000 959 S 22 py Ryd( 5p) 0.00018 0.00000 960 S 22 py Ryd( 6p) 0.00001 0.00000 961 S 22 py Ryd( 7p) 0.00000 0.00000 962 S 22 pz Cor( 2p) 1.99999 0.00000 963 S 22 pz Val( 3p) 1.28626 0.00000 964 S 22 pz Ryd( 4p) 0.00467 0.00000 965 S 22 pz Ryd( 5p) 0.00029 0.00000 966 S 22 pz Ryd( 6p) 0.00001 0.00000 967 S 22 pz Ryd( 7p) 0.00000 0.00000 968 S 22 dxy Ryd( 3d) 0.01133 0.00000 969 S 22 dxy Ryd( 4d) 0.00009 0.00000 970 S 22 dxy Ryd( 5d) 0.00001 0.00000 971 S 22 dxy Ryd( 6d) 0.00000 0.00000 972 S 22 dxz Ryd( 3d) 0.01275 0.00000 973 S 22 dxz Ryd( 4d) 0.00011 0.00000 974 S 22 dxz Ryd( 5d) 0.00002 0.00000 975 S 22 dxz Ryd( 6d) 0.00000 0.00000 976 S 22 dyz Ryd( 3d) 0.00692 0.00000 977 S 22 dyz Ryd( 4d) 0.00006 0.00000 978 S 22 dyz Ryd( 5d) 0.00001 0.00000 979 S 22 dyz Ryd( 6d) 0.00000 0.00000 980 S 22 dx2y2 Ryd( 3d) 0.01023 0.00000 981 S 22 dx2y2 Ryd( 4d) 0.00009 0.00000 982 S 22 dx2y2 Ryd( 5d) 0.00001 0.00000 983 S 22 dx2y2 Ryd( 6d) 0.00000 0.00000 984 S 22 dz2 Ryd( 3d) 0.01279 0.00000 985 S 22 dz2 Ryd( 4d) 0.00014 0.00000 986 S 22 dz2 Ryd( 5d) 0.00001 0.00000 987 S 22 dz2 Ryd( 6d) 0.00000 0.00000 988 S 22 f(0) Ryd( 4f) 0.00035 0.00000 989 S 22 f(0) Ryd( 5f) 0.00003 0.00000 990 S 22 f(c1) Ryd( 4f) 0.00098 0.00000 991 S 22 f(c1) Ryd( 5f) 0.00002 0.00000 992 S 22 f(s1) Ryd( 4f) 0.00041 0.00000 993 S 22 f(s1) Ryd( 5f) 0.00002 0.00000 994 S 22 f(c2) Ryd( 4f) 0.00024 0.00000 995 S 22 f(c2) Ryd( 5f) 0.00001 0.00000 996 S 22 f(s2) Ryd( 4f) 0.00049 0.00000 997 S 22 f(s2) Ryd( 5f) 0.00002 0.00000 998 S 22 f(c3) Ryd( 4f) 0.00043 0.00000 999 S 22 f(c3) Ryd( 5f) 0.00004 0.00000 1000 S 22 f(s3) Ryd( 4f) 0.00112 0.00000 1001 S 22 f(s3) Ryd( 5f) 0.00002 0.00000 1002 S 22 g(0) Ryd( 5g) 0.00004 0.00000 1003 S 22 g(c1) Ryd( 5g) 0.00008 0.00000 1004 S 22 g(s1) Ryd( 5g) 0.00002 0.00000 1005 S 22 g(c2) Ryd( 5g) 0.00004 0.00000 1006 S 22 g(s2) Ryd( 5g) 0.00006 0.00000 1007 S 22 g(c3) Ryd( 5g) 0.00001 0.00000 1008 S 22 g(s3) Ryd( 5g) 0.00003 0.00000 1009 S 22 g(c4) Ryd( 5g) 0.00006 0.00000 1010 S 22 g(s4) Ryd( 5g) 0.00009 0.00000 1011 S 23 s Cor( 1s) 2.00000 0.00000 1012 S 23 s Cor( 2s) 2.00000 0.00000 1013 S 23 s Val( 3s) 1.79196 0.00000 1014 S 23 s Ryd( 4s) 0.00747 0.00000 1015 S 23 s Ryd( 5s) 0.00004 0.00000 1016 S 23 s Ryd( 6s) 0.00000 0.00000 1017 S 23 s Ryd( 7s) 0.00000 0.00000 1018 S 23 s Ryd( 8s) 0.00000 0.00000 1019 S 23 s Ryd( 9s) 0.00000 0.00000 1020 S 23 px Cor( 2p) 1.99999 0.00000 1021 S 23 px Val( 3p) 1.57991 0.00000 1022 S 23 px Ryd( 4p) 0.00247 0.00000 1023 S 23 px Ryd( 5p) 0.00027 0.00000 1024 S 23 px Ryd( 6p) 0.00001 0.00000 1025 S 23 px Ryd( 7p) 0.00000 0.00000 1026 S 23 py Cor( 2p) 1.99999 0.00000 1027 S 23 py Val( 3p) 1.61713 0.00000 1028 S 23 py Ryd( 4p) 0.00270 0.00000 1029 S 23 py Ryd( 5p) 0.00024 0.00000 1030 S 23 py Ryd( 6p) 0.00001 0.00000 1031 S 23 py Ryd( 7p) 0.00000 0.00000 1032 S 23 pz Cor( 2p) 1.99999 0.00000 1033 S 23 pz Val( 3p) 1.00769 0.00000 1034 S 23 pz Ryd( 4p) 0.00643 0.00000 1035 S 23 pz Ryd( 5p) 0.00021 0.00000 1036 S 23 pz Ryd( 6p) 0.00000 0.00000 1037 S 23 pz Ryd( 7p) 0.00000 0.00000 1038 S 23 dxy Ryd( 3d) 0.00742 0.00000 1039 S 23 dxy Ryd( 4d) 0.00008 0.00000 1040 S 23 dxy Ryd( 5d) 0.00001 0.00000 1041 S 23 dxy Ryd( 6d) 0.00000 0.00000 1042 S 23 dxz Ryd( 3d) 0.01231 0.00000 1043 S 23 dxz Ryd( 4d) 0.00022 0.00000 1044 S 23 dxz Ryd( 5d) 0.00001 0.00000 1045 S 23 dxz Ryd( 6d) 0.00000 0.00000 1046 S 23 dyz Ryd( 3d) 0.01312 0.00000 1047 S 23 dyz Ryd( 4d) 0.00007 0.00000 1048 S 23 dyz Ryd( 5d) 0.00001 0.00000 1049 S 23 dyz Ryd( 6d) 0.00000 0.00000 1050 S 23 dx2y2 Ryd( 3d) 0.00458 0.00000 1051 S 23 dx2y2 Ryd( 4d) 0.00006 0.00000 1052 S 23 dx2y2 Ryd( 5d) 0.00002 0.00000 1053 S 23 dx2y2 Ryd( 6d) 0.00000 0.00000 1054 S 23 dz2 Ryd( 3d) 0.01635 0.00000 1055 S 23 dz2 Ryd( 4d) 0.00008 0.00000 1056 S 23 dz2 Ryd( 5d) 0.00002 0.00000 1057 S 23 dz2 Ryd( 6d) 0.00000 0.00000 1058 S 23 f(0) Ryd( 4f) 0.00055 0.00000 1059 S 23 f(0) Ryd( 5f) 0.00003 0.00000 1060 S 23 f(c1) Ryd( 4f) 0.00097 0.00000 1061 S 23 f(c1) Ryd( 5f) 0.00004 0.00000 1062 S 23 f(s1) Ryd( 4f) 0.00087 0.00000 1063 S 23 f(s1) Ryd( 5f) 0.00002 0.00000 1064 S 23 f(c2) Ryd( 4f) 0.00015 0.00000 1065 S 23 f(c2) Ryd( 5f) 0.00003 0.00000 1066 S 23 f(s2) Ryd( 4f) 0.00078 0.00000 1067 S 23 f(s2) Ryd( 5f) 0.00002 0.00000 1068 S 23 f(c3) Ryd( 4f) 0.00022 0.00000 1069 S 23 f(c3) Ryd( 5f) 0.00000 0.00000 1070 S 23 f(s3) Ryd( 4f) 0.00026 0.00000 1071 S 23 f(s3) Ryd( 5f) 0.00000 0.00000 1072 S 23 g(0) Ryd( 5g) 0.00005 0.00000 1073 S 23 g(c1) Ryd( 5g) 0.00007 0.00000 1074 S 23 g(s1) Ryd( 5g) 0.00005 0.00000 1075 S 23 g(c2) Ryd( 5g) 0.00005 0.00000 1076 S 23 g(s2) Ryd( 5g) 0.00008 0.00000 1077 S 23 g(c3) Ryd( 5g) 0.00003 0.00000 1078 S 23 g(s3) Ryd( 5g) 0.00003 0.00000 1079 S 23 g(c4) Ryd( 5g) 0.00001 0.00000 1080 S 23 g(s4) Ryd( 5g) 0.00000 0.00000 1081 S 24 s Cor( 1s) 2.00000 0.00000 1082 S 24 s Cor( 2s) 2.00000 0.00000 1083 S 24 s Val( 3s) 1.76897 0.00000 1084 S 24 s Ryd( 4s) 0.00620 0.00000 1085 S 24 s Ryd( 5s) 0.00007 0.00000 1086 S 24 s Ryd( 6s) 0.00000 0.00000 1087 S 24 s Ryd( 7s) 0.00000 0.00000 1088 S 24 s Ryd( 8s) 0.00000 0.00000 1089 S 24 s Ryd( 9s) 0.00000 0.00000 1090 S 24 px Cor( 2p) 1.99999 0.00000 1091 S 24 px Val( 3p) 1.24900 0.00000 1092 S 24 px Ryd( 4p) 0.00521 0.00000 1093 S 24 px Ryd( 5p) 0.00026 0.00000 1094 S 24 px Ryd( 6p) 0.00000 0.00000 1095 S 24 px Ryd( 7p) 0.00000 0.00000 1096 S 24 py Cor( 2p) 1.99999 0.00000 1097 S 24 py Val( 3p) 1.51722 0.00000 1098 S 24 py Ryd( 4p) 0.00268 0.00000 1099 S 24 py Ryd( 5p) 0.00023 0.00000 1100 S 24 py Ryd( 6p) 0.00001 0.00000 1101 S 24 py Ryd( 7p) 0.00000 0.00000 1102 S 24 pz Cor( 2p) 1.99999 0.00000 1103 S 24 pz Val( 3p) 1.43720 0.00000 1104 S 24 pz Ryd( 4p) 0.00653 0.00000 1105 S 24 pz Ryd( 5p) 0.00025 0.00000 1106 S 24 pz Ryd( 6p) 0.00001 0.00000 1107 S 24 pz Ryd( 7p) 0.00000 0.00000 1108 S 24 dxy Ryd( 3d) 0.01345 0.00000 1109 S 24 dxy Ryd( 4d) 0.00009 0.00000 1110 S 24 dxy Ryd( 5d) 0.00001 0.00000 1111 S 24 dxy Ryd( 6d) 0.00000 0.00000 1112 S 24 dxz Ryd( 3d) 0.01076 0.00000 1113 S 24 dxz Ryd( 4d) 0.00012 0.00000 1114 S 24 dxz Ryd( 5d) 0.00002 0.00000 1115 S 24 dxz Ryd( 6d) 0.00000 0.00000 1116 S 24 dyz Ryd( 3d) 0.01004 0.00000 1117 S 24 dyz Ryd( 4d) 0.00013 0.00000 1118 S 24 dyz Ryd( 5d) 0.00001 0.00000 1119 S 24 dyz Ryd( 6d) 0.00000 0.00000 1120 S 24 dx2y2 Ryd( 3d) 0.01137 0.00000 1121 S 24 dx2y2 Ryd( 4d) 0.00007 0.00000 1122 S 24 dx2y2 Ryd( 5d) 0.00002 0.00000 1123 S 24 dx2y2 Ryd( 6d) 0.00000 0.00000 1124 S 24 dz2 Ryd( 3d) 0.00809 0.00000 1125 S 24 dz2 Ryd( 4d) 0.00011 0.00000 1126 S 24 dz2 Ryd( 5d) 0.00001 0.00000 1127 S 24 dz2 Ryd( 6d) 0.00000 0.00000 1128 S 24 f(0) Ryd( 4f) 0.00030 0.00000 1129 S 24 f(0) Ryd( 5f) 0.00002 0.00000 1130 S 24 f(c1) Ryd( 4f) 0.00068 0.00000 1131 S 24 f(c1) Ryd( 5f) 0.00002 0.00000 1132 S 24 f(s1) Ryd( 4f) 0.00053 0.00000 1133 S 24 f(s1) Ryd( 5f) 0.00002 0.00000 1134 S 24 f(c2) Ryd( 4f) 0.00029 0.00000 1135 S 24 f(c2) Ryd( 5f) 0.00002 0.00000 1136 S 24 f(s2) Ryd( 4f) 0.00090 0.00000 1137 S 24 f(s2) Ryd( 5f) 0.00003 0.00000 1138 S 24 f(c3) Ryd( 4f) 0.00032 0.00000 1139 S 24 f(c3) Ryd( 5f) 0.00003 0.00000 1140 S 24 f(s3) Ryd( 4f) 0.00095 0.00000 1141 S 24 f(s3) Ryd( 5f) 0.00002 0.00000 1142 S 24 g(0) Ryd( 5g) 0.00003 0.00000 1143 S 24 g(c1) Ryd( 5g) 0.00005 0.00000 1144 S 24 g(s1) Ryd( 5g) 0.00002 0.00000 1145 S 24 g(c2) Ryd( 5g) 0.00003 0.00000 1146 S 24 g(s2) Ryd( 5g) 0.00007 0.00000 1147 S 24 g(c3) Ryd( 5g) 0.00004 0.00000 1148 S 24 g(s3) Ryd( 5g) 0.00006 0.00000 1149 S 24 g(c4) Ryd( 5g) 0.00005 0.00000 1150 S 24 g(s4) Ryd( 5g) 0.00007 0.00000 1151 S 25 s Cor( 1s) 2.00000 0.00000 1152 S 25 s Cor( 2s) 2.00000 0.00000 1153 S 25 s Val( 3s) 1.76493 0.00000 1154 S 25 s Ryd( 4s) 0.00342 0.00000 1155 S 25 s Ryd( 6s) 0.00005 0.00000 1156 S 25 s Ryd( 5s) 0.00000 0.00000 1157 S 25 s Ryd( 7s) 0.00000 0.00000 1158 S 25 s Ryd( 9s) 0.00000 0.00000 1159 S 25 s Ryd( 8s) 0.00000 0.00000 1160 S 25 px Cor( 2p) 2.00000 0.00000 1161 S 25 px Val( 3p) 1.18730 0.00000 1162 S 25 px Ryd( 4p) 0.00248 0.00000 1163 S 25 px Ryd( 5p) 0.00019 0.00000 1164 S 25 px Ryd( 6p) 0.00001 0.00000 1165 S 25 px Ryd( 7p) 0.00000 0.00000 1166 S 25 py Cor( 2p) 2.00000 0.00000 1167 S 25 py Val( 3p) 1.64844 0.00000 1168 S 25 py Ryd( 4p) 0.00104 0.00000 1169 S 25 py Ryd( 5p) 0.00013 0.00000 1170 S 25 py Ryd( 6p) 0.00001 0.00000 1171 S 25 py Ryd( 7p) 0.00000 0.00000 1172 S 25 pz Cor( 2p) 2.00000 0.00000 1173 S 25 pz Val( 3p) 1.78371 0.00000 1174 S 25 pz Ryd( 4p) 0.00110 0.00000 1175 S 25 pz Ryd( 5p) 0.00020 0.00000 1176 S 25 pz Ryd( 6p) 0.00001 0.00000 1177 S 25 pz Ryd( 7p) 0.00000 0.00000 1178 S 25 dxy Ryd( 3d) 0.00645 0.00000 1179 S 25 dxy Ryd( 4d) 0.00042 0.00000 1180 S 25 dxy Ryd( 5d) 0.00000 0.00000 1181 S 25 dxy Ryd( 6d) 0.00000 0.00000 1182 S 25 dxz Ryd( 3d) 0.00895 0.00000 1183 S 25 dxz Ryd( 4d) 0.00052 0.00000 1184 S 25 dxz Ryd( 5d) 0.00001 0.00000 1185 S 25 dxz Ryd( 6d) 0.00000 0.00000 1186 S 25 dyz Ryd( 3d) 0.00451 0.00000 1187 S 25 dyz Ryd( 4d) 0.00026 0.00000 1188 S 25 dyz Ryd( 5d) 0.00000 0.00000 1189 S 25 dyz Ryd( 6d) 0.00000 0.00000 1190 S 25 dx2y2 Ryd( 3d) 0.00440 0.00000 1191 S 25 dx2y2 Ryd( 4d) 0.00067 0.00000 1192 S 25 dx2y2 Ryd( 5d) 0.00001 0.00000 1193 S 25 dx2y2 Ryd( 6d) 0.00000 0.00000 1194 S 25 dz2 Ryd( 3d) 0.00499 0.00000 1195 S 25 dz2 Ryd( 4d) 0.00049 0.00000 1196 S 25 dz2 Ryd( 5d) 0.00001 0.00000 1197 S 25 dz2 Ryd( 6d) 0.00000 0.00000 1198 S 25 f(0) Ryd( 4f) 0.00012 0.00000 1199 S 25 f(0) Ryd( 5f) 0.00002 0.00000 1200 S 25 f(c1) Ryd( 4f) 0.00025 0.00000 1201 S 25 f(c1) Ryd( 5f) 0.00002 0.00000 1202 S 25 f(s1) Ryd( 4f) 0.00016 0.00000 1203 S 25 f(s1) Ryd( 5f) 0.00001 0.00000 1204 S 25 f(c2) Ryd( 4f) 0.00028 0.00000 1205 S 25 f(c2) Ryd( 5f) 0.00002 0.00000 1206 S 25 f(s2) Ryd( 4f) 0.00034 0.00000 1207 S 25 f(s2) Ryd( 5f) 0.00002 0.00000 1208 S 25 f(c3) Ryd( 4f) 0.00044 0.00000 1209 S 25 f(c3) Ryd( 5f) 0.00004 0.00000 1210 S 25 f(s3) Ryd( 4f) 0.00075 0.00000 1211 S 25 f(s3) Ryd( 5f) 0.00001 0.00000 1212 S 25 g(0) Ryd( 5g) 0.00001 0.00000 1213 S 25 g(c1) Ryd( 5g) 0.00002 0.00000 1214 S 25 g(s1) Ryd( 5g) 0.00000 0.00000 1215 S 25 g(c2) Ryd( 5g) 0.00002 0.00000 1216 S 25 g(s2) Ryd( 5g) 0.00001 0.00000 1217 S 25 g(c3) Ryd( 5g) 0.00001 0.00000 1218 S 25 g(s3) Ryd( 5g) 0.00002 0.00000 1219 S 25 g(c4) Ryd( 5g) 0.00002 0.00000 1220 S 25 g(s4) Ryd( 5g) 0.00004 0.00000 1221 Sc 26 s Cor( 2s) 2.00000 0.00000 1222 Sc 26 s Cor( 1s) 2.00000 0.00000 1223 Sc 26 s Cor( 3s) 1.99998 0.00000 1224 Sc 26 s Val( 4s) 0.22424 0.00000 1225 Sc 26 s Ryd( 5s) 0.00478 0.00000 1226 Sc 26 s Ryd( 6s) 0.00044 0.00000 1227 Sc 26 s Ryd( 7s) 0.00002 0.00000 1228 Sc 26 s Ryd( 8s) 0.00000 0.00000 1229 Sc 26 s Ryd( 9s) 0.00000 0.00000 1230 Sc 26 s Ryd(11s) 0.00000 0.00000 1231 Sc 26 s Ryd(10s) 0.00000 0.00000 1232 Sc 26 px Cor( 2p) 2.00000 0.00000 1233 Sc 26 px Cor( 3p) 1.99987 0.00000 1234 Sc 26 px Ryd( 6p) 0.00337 0.00000 1235 Sc 26 px Ryd( 5p) 0.00093 0.00000 1236 Sc 26 px Ryd( 4p) 0.00025 0.00000 1237 Sc 26 px Ryd( 7p) 0.00020 0.00000 1238 Sc 26 py Cor( 2p) 2.00000 0.00000 1239 Sc 26 py Cor( 3p) 1.99985 0.00000 1240 Sc 26 py Ryd( 6p) 0.00055 0.00000 1241 Sc 26 py Ryd( 5p) 0.00046 0.00000 1242 Sc 26 py Ryd( 4p) 0.00014 0.00000 1243 Sc 26 py Ryd( 7p) 0.00019 0.00000 1244 Sc 26 pz Cor( 2p) 2.00000 0.00000 1245 Sc 26 pz Cor( 3p) 1.99986 0.00000 1246 Sc 26 pz Ryd( 6p) 0.00294 0.00000 1247 Sc 26 pz Ryd( 5p) 0.00085 0.00000 1248 Sc 26 pz Ryd( 4p) 0.00023 0.00000 1249 Sc 26 pz Ryd( 7p) 0.00016 0.00000 1250 Sc 26 dxy Val( 3d) 0.32423 0.00000 1251 Sc 26 dxy Ryd( 4d) 0.03837 0.00000 1252 Sc 26 dxy Ryd( 5d) 0.00028 0.00000 1253 Sc 26 dxy Ryd( 6d) 0.00005 0.00000 1254 Sc 26 dxy Ryd( 7d) 0.00000 0.00000 1255 Sc 26 dxz Val( 3d) 0.36601 0.00000 1256 Sc 26 dxz Ryd( 4d) 0.04685 0.00000 1257 Sc 26 dxz Ryd( 5d) 0.00036 0.00000 1258 Sc 26 dxz Ryd( 6d) 0.00004 0.00000 1259 Sc 26 dxz Ryd( 7d) 0.00000 0.00000 1260 Sc 26 dyz Val( 3d) 0.32739 0.00000 1261 Sc 26 dyz Ryd( 4d) 0.03901 0.00000 1262 Sc 26 dyz Ryd( 5d) 0.00031 0.00000 1263 Sc 26 dyz Ryd( 6d) 0.00004 0.00000 1264 Sc 26 dyz Ryd( 7d) 0.00000 0.00000 1265 Sc 26 dx2y2 Val( 3d) 0.29976 0.00000 1266 Sc 26 dx2y2 Ryd( 4d) 0.03199 0.00000 1267 Sc 26 dx2y2 Ryd( 5d) 0.00026 0.00000 1268 Sc 26 dx2y2 Ryd( 6d) 0.00006 0.00000 1269 Sc 26 dx2y2 Ryd( 7d) 0.00000 0.00000 1270 Sc 26 dz2 Val( 3d) 0.28284 0.00000 1271 Sc 26 dz2 Ryd( 4d) 0.01930 0.00000 1272 Sc 26 dz2 Ryd( 5d) 0.00081 0.00000 1273 Sc 26 dz2 Ryd( 6d) 0.00007 0.00000 1274 Sc 26 dz2 Ryd( 7d) 0.00000 0.00000 1275 Sc 26 f(0) Ryd( 4f) 0.00151 0.00000 1276 Sc 26 f(0) Ryd( 5f) 0.00005 0.00000 1277 Sc 26 f(0) Ryd( 6f) 0.00002 0.00000 1278 Sc 26 f(c1) Ryd( 4f) 0.00092 0.00000 1279 Sc 26 f(c1) Ryd( 5f) 0.00009 0.00000 1280 Sc 26 f(c1) Ryd( 6f) 0.00001 0.00000 1281 Sc 26 f(s1) Ryd( 4f) 0.00137 0.00000 1282 Sc 26 f(s1) Ryd( 5f) 0.00004 0.00000 1283 Sc 26 f(s1) Ryd( 6f) 0.00001 0.00000 1284 Sc 26 f(c2) Ryd( 4f) 0.00194 0.00000 1285 Sc 26 f(c2) Ryd( 5f) 0.00005 0.00000 1286 Sc 26 f(c2) Ryd( 6f) 0.00001 0.00000 1287 Sc 26 f(s2) Ryd( 4f) 0.00060 0.00000 1288 Sc 26 f(s2) Ryd( 5f) 0.00008 0.00000 1289 Sc 26 f(s2) Ryd( 6f) 0.00001 0.00000 1290 Sc 26 f(c3) Ryd( 4f) 0.00086 0.00000 1291 Sc 26 f(c3) Ryd( 5f) 0.00004 0.00000 1292 Sc 26 f(c3) Ryd( 6f) 0.00002 0.00000 1293 Sc 26 f(s3) Ryd( 4f) 0.00093 0.00000 1294 Sc 26 f(s3) Ryd( 5f) 0.00004 0.00000 1295 Sc 26 f(s3) Ryd( 6f) 0.00002 0.00000 1296 Sc 26 g(0) Ryd( 5g) 0.00053 0.00000 1297 Sc 26 g(0) Ryd( 6g) 0.00002 0.00000 1298 Sc 26 g(c1) Ryd( 5g) 0.00105 0.00000 1299 Sc 26 g(c1) Ryd( 6g) 0.00001 0.00000 1300 Sc 26 g(s1) Ryd( 5g) 0.00047 0.00000 1301 Sc 26 g(s1) Ryd( 6g) 0.00001 0.00000 1302 Sc 26 g(c2) Ryd( 5g) 0.00076 0.00000 1303 Sc 26 g(c2) Ryd( 6g) 0.00001 0.00000 1304 Sc 26 g(s2) Ryd( 5g) 0.00065 0.00000 1305 Sc 26 g(s2) Ryd( 6g) 0.00001 0.00000 1306 Sc 26 g(c3) Ryd( 5g) 0.00059 0.00000 1307 Sc 26 g(c3) Ryd( 6g) 0.00001 0.00000 1308 Sc 26 g(s3) Ryd( 5g) 0.00041 0.00000 1309 Sc 26 g(s3) Ryd( 6g) 0.00002 0.00000 1310 Sc 26 g(c4) Ryd( 5g) 0.00071 0.00000 1311 Sc 26 g(c4) Ryd( 6g) 0.00003 0.00000 1312 Sc 26 g(s4) Ryd( 5g) 0.00026 0.00000 1313 Sc 26 g(s4) Ryd( 6g) 0.00001 0.00000 Summary of Natural Population Analysis: Natural Population Natural Natural --------------------------------------------- Spin Atom No Charge Core Valence Rydberg Total Density ------------------------------------------------------------------------------- C 1 -0.31837 1.99997 4.29159 0.02681 6.31837 0.00000 C 2 -0.34124 1.99997 4.31490 0.02636 6.34124 0.00000 C 3 -0.35239 1.99997 4.32580 0.02662 6.35239 0.00000 C 4 -0.30679 1.99997 4.27988 0.02694 6.30679 0.00000 C 5 -0.34154 1.99997 4.31366 0.02791 6.34154 0.00000 C 6 -0.31907 1.99997 4.29144 0.02765 6.31907 0.00000 C 7 -0.31114 1.99997 4.28468 0.02648 6.31114 0.00000 C 8 -0.33689 1.99997 4.30974 0.02717 6.33689 0.00000 C 9 -0.33655 1.99997 4.30943 0.02715 6.33655 0.00000 C 10 -0.32011 1.99997 4.29348 0.02666 6.32011 0.00000 H 11 0.23757 0.00000 0.75950 0.00293 0.76243 0.00000 H 12 0.22161 0.00000 0.77558 0.00281 0.77839 0.00000 H 13 0.22328 0.00000 0.77390 0.00281 0.77672 0.00000 H 14 0.23907 0.00000 0.75770 0.00323 0.76093 0.00000 H 15 0.25290 0.00000 0.74286 0.00424 0.74710 0.00000 H 16 0.24829 0.00000 0.74870 0.00301 0.75171 0.00000 H 17 0.24000 0.00000 0.75706 0.00294 0.76000 0.00000 H 18 0.22607 0.00000 0.77096 0.00296 0.77393 0.00000 H 19 0.22586 0.00000 0.77115 0.00300 0.77414 0.00000 H 20 0.23927 0.00000 0.75791 0.00282 0.76073 0.00000 S 21 -0.42734 9.99998 6.38478 0.04258 16.42734 0.00000 S 22 -0.05572 9.99998 5.97478 0.08097 16.05572 0.00000 S 23 -0.07522 9.99998 5.99669 0.07854 16.07522 0.00000 S 24 -0.05269 9.99998 5.97239 0.08033 16.05269 0.00000 S 25 -0.42733 9.99998 6.38438 0.04297 16.42733 0.00000 Sc 26 0.96847 17.99955 1.82447 0.20751 20.03153 0.00000 =============================================================================== * Total * -1.00000 87.99920 83.16740 0.83340 172.00000 0.00000 Natural Population --------------------------------------------------------- Core 87.99920 ( 99.9991% of 88) Valence 83.16740 ( 99.0088% of 84) Natural Minimal Basis 171.16660 ( 99.5155% of 172) Natural Rydberg Basis 0.83340 ( 0.4845% of 172) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 0.98)2p( 3.31)3p( 0.01)3d( 0.01) C 2 [core]2s( 0.98)2p( 3.34)3p( 0.01)3d( 0.01) C 3 [core]2s( 0.98)2p( 3.35)3p( 0.01)3d( 0.01) C 4 [core]2s( 0.98)2p( 3.30)3p( 0.01)3d( 0.01) C 5 [core]2s( 0.99)2p( 3.32)3p( 0.01)3d( 0.01) C 6 [core]2s( 0.99)2p( 3.31)3p( 0.01)3d( 0.01) C 7 [core]2s( 0.98)2p( 3.30)3p( 0.01)3d( 0.01) C 8 [core]2s( 0.98)2p( 3.33)3p( 0.01)3d( 0.01) C 9 [core]2s( 0.98)2p( 3.33)3p( 0.01)3d( 0.01) C 10 [core]2s( 0.98)2p( 3.31)3p( 0.01)3d( 0.01) H 11 1s( 0.76) H 12 1s( 0.78) H 13 1s( 0.77) H 14 1s( 0.76) H 15 1s( 0.74) H 16 1s( 0.75) H 17 1s( 0.76) H 18 1s( 0.77) H 19 1s( 0.77) H 20 1s( 0.76) S 21 [core]3s( 1.76)3p( 4.62)3d( 0.03) S 22 [core]3s( 1.77)3p( 4.21)4s( 0.01)3d( 0.05)4p( 0.01) S 23 [core]3s( 1.79)3p( 4.20)4s( 0.01)3d( 0.05)4p( 0.01) S 24 [core]3s( 1.77)3p( 4.20)4s( 0.01)3d( 0.05)4p( 0.01) S 25 [core]3s( 1.76)3p( 4.62)3d( 0.03) Sc 26 [core]4s( 0.22)3d( 1.60)4d( 0.18)4f( 0.01)6p( 0.01) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 1.3672 0.0584 0.0432 1.3485 0.0024 0.0011 0.0014 0.0044 2. C 1.3672 0.0000 1.3250 0.0560 0.0512 0.0017 0.0011 0.0085 0.0010 3. C 0.0584 1.3250 0.0000 1.3596 0.0499 0.0018 0.0031 0.0024 0.0083 4. C 0.0432 0.0560 1.3596 0.0000 1.3638 0.0024 0.0031 0.0032 0.0011 5. C 1.3485 0.0512 0.0499 1.3638 0.0000 0.0051 0.0024 0.0018 0.0018 6. C 0.0024 0.0017 0.0018 0.0024 0.0051 0.0000 1.3606 0.0490 0.0510 7. C 0.0011 0.0011 0.0031 0.0031 0.0024 1.3606 0.0000 1.3512 0.0532 8. C 0.0014 0.0085 0.0024 0.0032 0.0018 0.0490 1.3512 0.0000 1.3356 9. C 0.0044 0.0010 0.0083 0.0011 0.0018 0.0510 0.0532 1.3356 0.0000 10. C 0.0024 0.0034 0.0014 0.0014 0.0025 1.3555 0.0421 0.0547 1.3518 11. H 0.9019 0.0024 0.0096 0.0096 0.0028 0.0001 0.0001 0.0001 0.0001 12. H 0.0029 0.9077 0.0024 0.0095 0.0099 0.0002 0.0002 0.0002 0.0003 13. H 0.0095 0.0024 0.9069 0.0029 0.0100 0.0001 0.0001 0.0002 0.0002 14. H 0.0097 0.0095 0.0024 0.9010 0.0029 0.0001 0.0004 0.0001 0.0001 15. H 0.0027 0.0095 0.0096 0.0029 0.8893 0.0001 0.0001 0.0001 0.0002 16. H 0.0002 0.0002 0.0002 0.0002 0.0002 0.8976 0.0027 0.0094 0.0094 17. H 0.0001 0.0001 0.0001 0.0004 0.0001 0.0027 0.8983 0.0025 0.0094 18. H 0.0002 0.0002 0.0002 0.0001 0.0001 0.0097 0.0028 0.9061 0.0025 19. H 0.0001 0.0003 0.0003 0.0002 0.0002 0.0097 0.0096 0.0025 0.9059 20. H 0.0004 0.0001 0.0001 0.0001 0.0001 0.0027 0.0094 0.0095 0.0025 21. S 0.0098 0.0048 0.0116 0.0055 0.0063 0.0059 0.0225 0.0040 0.0058 22. S 0.0042 0.0013 0.0013 0.0016 0.0061 0.0049 0.0076 0.0018 0.0075 23. S 0.0005 0.0009 0.0009 0.0007 0.0019 0.0018 0.0008 0.0006 0.0007 24. S 0.0017 0.0018 0.0011 0.0043 0.0052 0.0047 0.0013 0.0082 0.0013 25. S 0.0070 0.0095 0.0039 0.0129 0.0068 0.0071 0.0058 0.0055 0.0045 26. Sc 0.1709 0.1803 0.1829 0.1667 0.1709 0.1710 0.1717 0.1898 0.1898 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0024 0.9019 0.0029 0.0095 0.0097 0.0027 0.0002 0.0001 0.0002 2. C 0.0034 0.0024 0.9077 0.0024 0.0095 0.0095 0.0002 0.0001 0.0002 3. C 0.0014 0.0096 0.0024 0.9069 0.0024 0.0096 0.0002 0.0001 0.0002 4. C 0.0014 0.0096 0.0095 0.0029 0.9010 0.0029 0.0002 0.0004 0.0001 5. C 0.0025 0.0028 0.0099 0.0100 0.0029 0.8893 0.0002 0.0001 0.0001 6. C 1.3555 0.0001 0.0002 0.0001 0.0001 0.0001 0.8976 0.0027 0.0097 7. C 0.0421 0.0001 0.0002 0.0001 0.0004 0.0001 0.0027 0.8983 0.0028 8. C 0.0547 0.0001 0.0002 0.0002 0.0001 0.0001 0.0094 0.0025 0.9061 9. C 1.3518 0.0001 0.0003 0.0002 0.0001 0.0002 0.0094 0.0094 0.0025 10. C 0.0000 0.0004 0.0001 0.0002 0.0001 0.0002 0.0027 0.0094 0.0096 11. H 0.0004 0.0000 0.0014 0.0005 0.0005 0.0013 0.0000 0.0000 0.0000 12. H 0.0001 0.0014 0.0000 0.0013 0.0005 0.0005 0.0000 0.0000 0.0003 13. H 0.0002 0.0005 0.0013 0.0000 0.0014 0.0005 0.0000 0.0000 0.0000 14. H 0.0001 0.0005 0.0005 0.0014 0.0000 0.0013 0.0000 0.0001 0.0000 15. H 0.0002 0.0013 0.0005 0.0005 0.0013 0.0000 0.0000 0.0000 0.0000 16. H 0.0027 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0014 0.0005 17. H 0.0094 0.0000 0.0000 0.0000 0.0001 0.0000 0.0014 0.0000 0.0014 18. H 0.0096 0.0000 0.0003 0.0000 0.0000 0.0000 0.0005 0.0014 0.0000 19. H 0.0028 0.0000 0.0000 0.0002 0.0000 0.0000 0.0005 0.0005 0.0013 20. H 0.8986 0.0001 0.0000 0.0000 0.0000 0.0000 0.0014 0.0005 0.0005 21. S 0.0058 0.0009 0.0002 0.0017 0.0002 0.0019 0.0004 0.0028 0.0002 22. S 0.0017 0.0006 0.0001 0.0002 0.0003 0.0038 0.0002 0.0018 0.0000 23. S 0.0008 0.0001 0.0000 0.0000 0.0004 0.0006 0.0002 0.0000 0.0000 24. S 0.0070 0.0003 0.0002 0.0001 0.0010 0.0019 0.0003 0.0001 0.0002 25. S 0.0200 0.0004 0.0015 0.0001 0.0012 0.0011 0.0005 0.0005 0.0015 26. Sc 0.1757 0.0136 0.0143 0.0143 0.0130 0.0131 0.0131 0.0132 0.0142 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0001 0.0004 0.0098 0.0042 0.0005 0.0017 0.0070 0.1709 2. C 0.0003 0.0001 0.0048 0.0013 0.0009 0.0018 0.0095 0.1803 3. C 0.0003 0.0001 0.0116 0.0013 0.0009 0.0011 0.0039 0.1829 4. C 0.0002 0.0001 0.0055 0.0016 0.0007 0.0043 0.0129 0.1667 5. C 0.0002 0.0001 0.0063 0.0061 0.0019 0.0052 0.0068 0.1709 6. C 0.0097 0.0027 0.0059 0.0049 0.0018 0.0047 0.0071 0.1710 7. C 0.0096 0.0094 0.0225 0.0076 0.0008 0.0013 0.0058 0.1717 8. C 0.0025 0.0095 0.0040 0.0018 0.0006 0.0082 0.0055 0.1898 9. C 0.9059 0.0025 0.0058 0.0075 0.0007 0.0013 0.0045 0.1898 10. C 0.0028 0.8986 0.0058 0.0017 0.0008 0.0070 0.0200 0.1757 11. H 0.0000 0.0001 0.0009 0.0006 0.0001 0.0003 0.0004 0.0136 12. H 0.0000 0.0000 0.0002 0.0001 0.0000 0.0002 0.0015 0.0143 13. H 0.0002 0.0000 0.0017 0.0002 0.0000 0.0001 0.0001 0.0143 14. H 0.0000 0.0000 0.0002 0.0003 0.0004 0.0010 0.0012 0.0130 15. H 0.0000 0.0000 0.0019 0.0038 0.0006 0.0019 0.0011 0.0131 16. H 0.0005 0.0014 0.0004 0.0002 0.0002 0.0003 0.0005 0.0131 17. H 0.0005 0.0005 0.0028 0.0018 0.0000 0.0001 0.0005 0.0132 18. H 0.0013 0.0005 0.0002 0.0000 0.0000 0.0002 0.0015 0.0142 19. H 0.0000 0.0014 0.0015 0.0002 0.0000 0.0001 0.0002 0.0146 20. H 0.0014 0.0000 0.0007 0.0001 0.0000 0.0013 0.0020 0.0142 21. S 0.0015 0.0007 0.0000 1.0334 0.1137 0.0097 0.0158 0.6942 22. S 0.0002 0.0001 1.0334 0.0000 1.0125 0.1285 0.0098 0.0735 23. S 0.0000 0.0000 0.1137 1.0125 0.0000 1.0095 0.1133 0.0219 24. S 0.0001 0.0013 0.0097 0.1285 1.0095 0.0000 1.0347 0.0829 25. S 0.0002 0.0020 0.0158 0.0098 0.1133 1.0347 0.0000 0.6934 26. Sc 0.0146 0.0142 0.6942 0.0735 0.0219 0.0829 0.6934 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. C 3.9507 2. C 3.9463 3. C 3.9433 4. C 3.9524 5. C 3.9399 6. C 3.9481 7. C 3.9515 8. C 3.9483 9. C 3.9483 10. C 3.9502 11. H 0.9466 12. H 0.9536 13. H 0.9529 14. H 0.9463 15. H 0.9410 16. H 0.9414 17. H 0.9454 18. H 0.9518 19. H 0.9520 20. H 0.9455 21. S 1.9591 22. S 2.3030 23. S 2.2821 24. S 2.3074 25. S 1.9590 26. Sc 3.4731 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 1.1693 0.2417 0.2078 1.1613 0.0485 0.0337 0.0381 0.0660 2. C 1.1693 0.0000 1.1511 0.2366 0.2263 0.0408 0.0335 0.0923 0.0324 3. C 0.2417 1.1511 0.0000 1.1660 0.2235 0.0427 0.0559 0.0490 0.0910 4. C 0.2078 0.2366 1.1660 0.0000 1.1678 0.0495 0.0557 0.0564 0.0335 5. C 1.1613 0.2263 0.2235 1.1678 0.0000 0.0715 0.0491 0.0419 0.0429 6. C 0.0485 0.0408 0.0427 0.0495 0.0715 0.0000 1.1664 0.2214 0.2258 7. C 0.0337 0.0335 0.0559 0.0557 0.0491 1.1664 0.0000 1.1624 0.2307 8. C 0.0381 0.0923 0.0490 0.0564 0.0419 0.2214 1.1624 0.0000 1.1557 9. C 0.0660 0.0324 0.0910 0.0335 0.0429 0.2258 0.2307 1.1557 0.0000 10. C 0.0485 0.0587 0.0378 0.0369 0.0501 1.1643 0.2052 0.2338 1.1627 11. H 0.9497 0.0493 0.0979 0.0980 0.0531 0.0111 0.0080 0.0074 0.0080 12. H 0.0535 0.9528 0.0487 0.0973 0.0997 0.0133 0.0130 0.0153 0.0165 13. H 0.0974 0.0491 0.9523 0.0541 0.0998 0.0103 0.0118 0.0123 0.0145 14. H 0.0984 0.0972 0.0491 0.9492 0.0537 0.0107 0.0209 0.0117 0.0088 15. H 0.0524 0.0976 0.0980 0.0541 0.9430 0.0117 0.0111 0.0112 0.0144 16. H 0.0133 0.0158 0.0130 0.0125 0.0130 0.9474 0.0523 0.0971 0.0969 17. H 0.0083 0.0080 0.0112 0.0195 0.0105 0.0524 0.9478 0.0496 0.0968 18. H 0.0150 0.0157 0.0126 0.0118 0.0110 0.0986 0.0529 0.9519 0.0499 19. H 0.0101 0.0159 0.0161 0.0128 0.0136 0.0987 0.0981 0.0497 0.9518 20. H 0.0198 0.0084 0.0079 0.0085 0.0121 0.0521 0.0971 0.0973 0.0495 21. S 0.0988 0.0692 0.1076 0.0743 0.0794 0.0769 0.1499 0.0636 0.0758 22. S 0.0650 0.0365 0.0363 0.0403 0.0781 0.0701 0.0869 0.0420 0.0869 23. S 0.0227 0.0299 0.0294 0.0265 0.0436 0.0425 0.0282 0.0242 0.0266 24. S 0.0413 0.0423 0.0331 0.0658 0.0720 0.0688 0.0361 0.0903 0.0366 25. S 0.0837 0.0974 0.0621 0.1136 0.0828 0.0843 0.0763 0.0741 0.0673 26. Sc 0.4134 0.4246 0.4277 0.4083 0.4134 0.4135 0.4144 0.4356 0.4356 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0485 0.9497 0.0535 0.0974 0.0984 0.0524 0.0133 0.0083 0.0150 2. C 0.0587 0.0493 0.9528 0.0491 0.0972 0.0976 0.0158 0.0080 0.0157 3. C 0.0378 0.0979 0.0487 0.9523 0.0491 0.0980 0.0130 0.0112 0.0126 4. C 0.0369 0.0980 0.0973 0.0541 0.9492 0.0541 0.0125 0.0195 0.0118 5. C 0.0501 0.0531 0.0997 0.0998 0.0537 0.9430 0.0130 0.0105 0.0110 6. C 1.1643 0.0111 0.0133 0.0103 0.0107 0.0117 0.9474 0.0524 0.0986 7. C 0.2052 0.0080 0.0130 0.0118 0.0209 0.0111 0.0523 0.9478 0.0529 8. C 0.2338 0.0074 0.0153 0.0123 0.0117 0.0112 0.0971 0.0496 0.9519 9. C 1.1627 0.0080 0.0165 0.0145 0.0088 0.0144 0.0969 0.0968 0.0499 10. C 0.0000 0.0188 0.0106 0.0139 0.0094 0.0132 0.0516 0.0969 0.0981 11. H 0.0188 0.0000 0.0374 0.0224 0.0215 0.0354 0.0042 0.0021 0.0023 12. H 0.0106 0.0374 0.0000 0.0354 0.0219 0.0227 0.0046 0.0027 0.0159 13. H 0.0139 0.0224 0.0354 0.0000 0.0374 0.0225 0.0039 0.0018 0.0024 14. H 0.0094 0.0215 0.0219 0.0374 0.0000 0.0363 0.0037 0.0081 0.0023 15. H 0.0132 0.0354 0.0227 0.0225 0.0363 0.0000 0.0061 0.0033 0.0037 16. H 0.0516 0.0042 0.0046 0.0039 0.0037 0.0061 0.0000 0.0379 0.0226 17. H 0.0969 0.0021 0.0027 0.0018 0.0081 0.0033 0.0379 0.0000 0.0376 18. H 0.0981 0.0023 0.0159 0.0024 0.0023 0.0037 0.0226 0.0376 0.0000 19. H 0.0527 0.0010 0.0028 0.0152 0.0027 0.0048 0.0227 0.0216 0.0362 20. H 0.9480 0.0073 0.0010 0.0025 0.0020 0.0047 0.0376 0.0221 0.0219 21. S 0.0764 0.0293 0.0133 0.0410 0.0156 0.0436 0.0198 0.0525 0.0123 22. S 0.0414 0.0239 0.0096 0.0151 0.0179 0.0620 0.0147 0.0418 0.0068 23. S 0.0282 0.0122 0.0070 0.0060 0.0196 0.0247 0.0131 0.0062 0.0059 24. S 0.0834 0.0162 0.0137 0.0097 0.0321 0.0439 0.0169 0.0083 0.0148 25. S 0.1416 0.0206 0.0388 0.0100 0.0350 0.0331 0.0217 0.0230 0.0388 26. Sc 0.4192 0.1168 0.1197 0.1196 0.1141 0.1144 0.1147 0.1150 0.1192 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0101 0.0198 0.0988 0.0650 0.0227 0.0413 0.0837 0.4134 2. C 0.0159 0.0084 0.0692 0.0365 0.0299 0.0423 0.0974 0.4246 3. C 0.0161 0.0079 0.1076 0.0363 0.0294 0.0331 0.0621 0.4277 4. C 0.0128 0.0085 0.0743 0.0403 0.0265 0.0658 0.1136 0.4083 5. C 0.0136 0.0121 0.0794 0.0781 0.0436 0.0720 0.0828 0.4134 6. C 0.0987 0.0521 0.0769 0.0701 0.0425 0.0688 0.0843 0.4135 7. C 0.0981 0.0971 0.1499 0.0869 0.0282 0.0361 0.0763 0.4144 8. C 0.0497 0.0973 0.0636 0.0420 0.0242 0.0903 0.0741 0.4356 9. C 0.9518 0.0495 0.0758 0.0869 0.0266 0.0366 0.0673 0.4356 10. C 0.0527 0.9480 0.0764 0.0414 0.0282 0.0834 0.1416 0.4192 11. H 0.0010 0.0073 0.0293 0.0239 0.0122 0.0162 0.0206 0.1168 12. H 0.0028 0.0010 0.0133 0.0096 0.0070 0.0137 0.0388 0.1197 13. H 0.0152 0.0025 0.0410 0.0151 0.0060 0.0097 0.0100 0.1196 14. H 0.0027 0.0020 0.0156 0.0179 0.0196 0.0321 0.0350 0.1141 15. H 0.0048 0.0047 0.0436 0.0620 0.0247 0.0439 0.0331 0.1144 16. H 0.0227 0.0376 0.0198 0.0147 0.0131 0.0169 0.0217 0.1147 17. H 0.0216 0.0221 0.0525 0.0418 0.0062 0.0083 0.0230 0.1150 18. H 0.0362 0.0219 0.0123 0.0068 0.0059 0.0148 0.0388 0.1192 19. H 0.0000 0.0374 0.0388 0.0144 0.0067 0.0095 0.0134 0.1207 20. H 0.0374 0.0000 0.0258 0.0085 0.0062 0.0361 0.0444 0.1190 21. S 0.0388 0.0258 0.0000 1.0166 0.3372 0.0986 0.1257 0.8332 22. S 0.0144 0.0085 1.0166 0.0000 1.0062 0.3585 0.0988 0.2710 23. S 0.0067 0.0062 0.3372 1.0062 0.0000 1.0048 0.3367 0.1481 24. S 0.0095 0.0361 0.0986 0.3585 1.0048 0.0000 1.0172 0.2879 25. S 0.0134 0.0444 0.1257 0.0988 0.3367 1.0172 0.0000 0.8327 26. Sc 0.1207 0.1190 0.8332 0.2710 0.1481 0.2879 0.8327 0.0000 *************************************************** ******* Alpha spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 0.99999 -10.06894 2 C 1 s Val( 2s) 0.49126 -0.02634 3 C 1 s Ryd( 3s) 0.00073 4.16704 4 C 1 s Ryd( 4s) 0.00003 4.90943 5 C 1 s Ryd( 5s) 0.00000 12.47582 6 C 1 s Ryd( 6s) 0.00000 13.26419 7 C 1 s Ryd( 7s) 0.00000 129.74956 8 C 1 px Val( 2p) 0.51106 0.10670 9 C 1 px Ryd( 3p) 0.00256 1.55623 10 C 1 px Ryd( 4p) 0.00021 1.23595 11 C 1 px Ryd( 5p) 0.00003 5.24809 12 C 1 py Val( 2p) 0.55623 0.00797 13 C 1 py Ryd( 3p) 0.00127 1.00244 14 C 1 py Ryd( 4p) 0.00018 1.13280 15 C 1 py Ryd( 5p) 0.00001 4.23415 16 C 1 pz Val( 2p) 0.58725 0.09610 17 C 1 pz Ryd( 3p) 0.00235 1.66247 18 C 1 pz Ryd( 4p) 0.00017 2.10056 19 C 1 pz Ryd( 5p) 0.00002 5.10272 20 C 1 dxy Ryd( 3d) 0.00012 1.82267 21 C 1 dxy Ryd( 4d) 0.00025 2.82269 22 C 1 dxy Ryd( 5d) 0.00000 6.96894 23 C 1 dxz Ryd( 3d) 0.00061 5.06150 24 C 1 dxz Ryd( 4d) 0.00015 5.19072 25 C 1 dxz Ryd( 5d) 0.00000 7.46335 26 C 1 dyz Ryd( 3d) 0.00126 1.84558 27 C 1 dyz Ryd( 4d) 0.00005 3.21538 28 C 1 dyz Ryd( 5d) 0.00000 7.25617 29 C 1 dx2y2 Ryd( 3d) 0.00067 3.30836 30 C 1 dx2y2 Ryd( 4d) 0.00021 3.32926 31 C 1 dx2y2 Ryd( 5d) 0.00001 7.50268 32 C 1 dz2 Ryd( 3d) 0.00048 3.11722 33 C 1 dz2 Ryd( 4d) 0.00023 4.95905 34 C 1 dz2 Ryd( 5d) 0.00001 8.61391 35 C 1 f(0) Ryd( 4f) 0.00028 3.97412 36 C 1 f(0) Ryd( 5f) 0.00001 8.11527 37 C 1 f(c1) Ryd( 4f) 0.00023 4.30361 38 C 1 f(c1) Ryd( 5f) 0.00001 8.51075 39 C 1 f(s1) Ryd( 4f) 0.00029 3.03983 40 C 1 f(s1) Ryd( 5f) 0.00000 7.90204 41 C 1 f(c2) Ryd( 4f) 0.00025 3.80324 42 C 1 f(c2) Ryd( 5f) 0.00001 8.12387 43 C 1 f(s2) Ryd( 4f) 0.00004 3.06350 44 C 1 f(s2) Ryd( 5f) 0.00001 7.66829 45 C 1 f(c3) Ryd( 4f) 0.00019 3.29032 46 C 1 f(c3) Ryd( 5f) 0.00001 7.67555 47 C 1 f(s3) Ryd( 4f) 0.00015 2.84955 48 C 1 f(s3) Ryd( 5f) 0.00000 7.39772 49 C 1 g(0) Ryd( 5g) 0.00006 6.33921 50 C 1 g(c1) Ryd( 5g) 0.00008 6.60532 51 C 1 g(s1) Ryd( 5g) 0.00003 6.11412 52 C 1 g(c2) Ryd( 5g) 0.00005 6.29268 53 C 1 g(s2) Ryd( 5g) 0.00003 6.37473 54 C 1 g(c3) Ryd( 5g) 0.00002 6.25793 55 C 1 g(s3) Ryd( 5g) 0.00003 6.17584 56 C 1 g(c4) Ryd( 5g) 0.00001 6.15805 57 C 1 g(s4) Ryd( 5g) 0.00001 5.98967 58 C 2 s Cor( 1s) 0.99999 -10.07212 59 C 2 s Val( 2s) 0.48906 -0.03082 60 C 2 s Ryd( 3s) 0.00079 3.75241 61 C 2 s Ryd( 4s) 0.00004 4.64010 62 C 2 s Ryd( 5s) 0.00000 12.48871 63 C 2 s Ryd( 6s) 0.00000 13.84524 64 C 2 s Ryd( 7s) 0.00000 129.39629 65 C 2 px Val( 2p) 0.56753 0.09647 66 C 2 px Ryd( 3p) 0.00230 1.66936 67 C 2 px Ryd( 4p) 0.00015 1.89793 68 C 2 px Ryd( 5p) 0.00002 5.38228 69 C 2 py Val( 2p) 0.57226 0.00078 70 C 2 py Ryd( 3p) 0.00130 0.99192 71 C 2 py Ryd( 4p) 0.00017 1.04493 72 C 2 py Ryd( 5p) 0.00000 4.39155 73 C 2 pz Val( 2p) 0.52861 0.09553 74 C 2 pz Ryd( 3p) 0.00251 1.51497 75 C 2 pz Ryd( 4p) 0.00016 1.39635 76 C 2 pz Ryd( 5p) 0.00003 5.32916 77 C 2 dxy Ryd( 3d) 0.00087 1.78685 78 C 2 dxy Ryd( 4d) 0.00007 3.14084 79 C 2 dxy Ryd( 5d) 0.00000 7.12097 80 C 2 dxz Ryd( 3d) 0.00029 3.57993 81 C 2 dxz Ryd( 4d) 0.00031 4.90201 82 C 2 dxz Ryd( 5d) 0.00000 7.92823 83 C 2 dyz Ryd( 3d) 0.00042 1.95316 84 C 2 dyz Ryd( 4d) 0.00019 2.88463 85 C 2 dyz Ryd( 5d) 0.00000 7.06610 86 C 2 dx2y2 Ryd( 3d) 0.00088 3.49270 87 C 2 dx2y2 Ryd( 4d) 0.00010 4.20422 88 C 2 dx2y2 Ryd( 5d) 0.00001 8.39025 89 C 2 dz2 Ryd( 3d) 0.00063 4.36815 90 C 2 dz2 Ryd( 4d) 0.00016 4.40859 91 C 2 dz2 Ryd( 5d) 0.00001 7.28243 92 C 2 f(0) Ryd( 4f) 0.00027 4.20050 93 C 2 f(0) Ryd( 5f) 0.00001 8.18123 94 C 2 f(c1) Ryd( 4f) 0.00019 4.11367 95 C 2 f(c1) Ryd( 5f) 0.00002 8.37185 96 C 2 f(s1) Ryd( 4f) 0.00011 2.98947 97 C 2 f(s1) Ryd( 5f) 0.00000 7.50169 98 C 2 f(c2) Ryd( 4f) 0.00026 3.77550 99 C 2 f(c2) Ryd( 5f) 0.00001 7.93224 100 C 2 f(s2) Ryd( 4f) 0.00008 3.10188 101 C 2 f(s2) Ryd( 5f) 0.00000 7.66196 102 C 2 f(c3) Ryd( 4f) 0.00022 3.33510 103 C 2 f(c3) Ryd( 5f) 0.00000 7.85941 104 C 2 f(s3) Ryd( 4f) 0.00030 2.87026 105 C 2 f(s3) Ryd( 5f) 0.00000 7.81949 106 C 2 g(0) Ryd( 5g) 0.00007 6.32089 107 C 2 g(c1) Ryd( 5g) 0.00008 6.66469 108 C 2 g(s1) Ryd( 5g) 0.00003 6.08442 109 C 2 g(c2) Ryd( 5g) 0.00003 6.31579 110 C 2 g(s2) Ryd( 5g) 0.00000 6.46328 111 C 2 g(c3) Ryd( 5g) 0.00002 6.16284 112 C 2 g(s3) Ryd( 5g) 0.00006 6.06798 113 C 2 g(c4) Ryd( 5g) 0.00001 6.18727 114 C 2 g(s4) Ryd( 5g) 0.00000 6.04415 115 C 3 s Cor( 1s) 0.99999 -10.07107 116 C 3 s Val( 2s) 0.48952 -0.03118 117 C 3 s Ryd( 3s) 0.00077 3.75451 118 C 3 s Ryd( 4s) 0.00004 4.57824 119 C 3 s Ryd( 5s) 0.00000 12.88053 120 C 3 s Ryd( 6s) 0.00000 13.49544 121 C 3 s Ryd( 7s) 0.00000 129.69531 122 C 3 px Val( 2p) 0.55483 0.09659 123 C 3 px Ryd( 3p) 0.00248 1.61464 124 C 3 px Ryd( 4p) 0.00015 1.66893 125 C 3 px Ryd( 5p) 0.00003 5.39275 126 C 3 py Val( 2p) 0.57588 -0.00151 127 C 3 py Ryd( 3p) 0.00161 0.93577 128 C 3 py Ryd( 4p) 0.00019 1.05905 129 C 3 py Ryd( 5p) 0.00000 4.38381 130 C 3 pz Val( 2p) 0.54267 0.09779 131 C 3 pz Ryd( 3p) 0.00219 1.61374 132 C 3 pz Ryd( 4p) 0.00013 1.61141 133 C 3 pz Ryd( 5p) 0.00003 5.31608 134 C 3 dxy Ryd( 3d) 0.00068 1.78347 135 C 3 dxy Ryd( 4d) 0.00010 2.99341 136 C 3 dxy Ryd( 5d) 0.00000 7.03422 137 C 3 dxz Ryd( 3d) 0.00019 3.03600 138 C 3 dxz Ryd( 4d) 0.00036 4.91158 139 C 3 dxz Ryd( 5d) 0.00000 8.16781 140 C 3 dyz Ryd( 3d) 0.00049 1.95692 141 C 3 dyz Ryd( 4d) 0.00012 3.03045 142 C 3 dyz Ryd( 5d) 0.00000 7.03513 143 C 3 dx2y2 Ryd( 3d) 0.00099 3.72549 144 C 3 dx2y2 Ryd( 4d) 0.00009 4.06121 145 C 3 dx2y2 Ryd( 5d) 0.00001 8.06640 146 C 3 dz2 Ryd( 3d) 0.00074 4.67826 147 C 3 dz2 Ryd( 4d) 0.00013 4.62916 148 C 3 dz2 Ryd( 5d) 0.00000 7.45947 149 C 3 f(0) Ryd( 4f) 0.00025 4.09315 150 C 3 f(0) Ryd( 5f) 0.00001 8.27417 151 C 3 f(c1) Ryd( 4f) 0.00025 4.33203 152 C 3 f(c1) Ryd( 5f) 0.00001 8.32167 153 C 3 f(s1) Ryd( 4f) 0.00013 2.97469 154 C 3 f(s1) Ryd( 5f) 0.00001 7.62493 155 C 3 f(c2) Ryd( 4f) 0.00028 3.70906 156 C 3 f(c2) Ryd( 5f) 0.00001 7.79055 157 C 3 f(s2) Ryd( 4f) 0.00008 3.13534 158 C 3 f(s2) Ryd( 5f) 0.00000 7.70528 159 C 3 f(c3) Ryd( 4f) 0.00020 3.33931 160 C 3 f(c3) Ryd( 5f) 0.00000 7.85000 161 C 3 f(s3) Ryd( 4f) 0.00021 2.84026 162 C 3 f(s3) Ryd( 5f) 0.00000 7.69252 163 C 3 g(0) Ryd( 5g) 0.00006 6.46104 164 C 3 g(c1) Ryd( 5g) 0.00008 6.44103 165 C 3 g(s1) Ryd( 5g) 0.00003 6.15832 166 C 3 g(c2) Ryd( 5g) 0.00004 6.42615 167 C 3 g(s2) Ryd( 5g) 0.00003 6.33758 168 C 3 g(c3) Ryd( 5g) 0.00002 6.12461 169 C 3 g(s3) Ryd( 5g) 0.00004 6.14459 170 C 3 g(c4) Ryd( 5g) 0.00002 6.20166 171 C 3 g(s4) Ryd( 5g) 0.00000 6.03889 172 C 4 s Cor( 1s) 0.99999 -10.06787 173 C 4 s Val( 2s) 0.49155 -0.02491 174 C 4 s Ryd( 3s) 0.00069 4.20558 175 C 4 s Ryd( 4s) 0.00004 4.79909 176 C 4 s Ryd( 5s) 0.00000 12.39529 177 C 4 s Ryd( 6s) 0.00000 13.70954 178 C 4 s Ryd( 7s) 0.00000 129.44948 179 C 4 px Val( 2p) 0.51902 0.10876 180 C 4 px Ryd( 3p) 0.00253 1.55135 181 C 4 px Ryd( 4p) 0.00024 1.36519 182 C 4 px Ryd( 5p) 0.00003 5.23415 183 C 4 py Val( 2p) 0.55211 0.00457 184 C 4 py Ryd( 3p) 0.00159 0.93272 185 C 4 py Ryd( 4p) 0.00022 1.13363 186 C 4 py Ryd( 5p) 0.00001 4.26467 187 C 4 pz Val( 2p) 0.57725 0.10391 188 C 4 pz Ryd( 3p) 0.00211 1.68821 189 C 4 pz Ryd( 4p) 0.00014 2.00441 190 C 4 pz Ryd( 5p) 0.00002 5.05341 191 C 4 dxy Ryd( 3d) 0.00029 1.86054 192 C 4 dxy Ryd( 4d) 0.00021 2.90571 193 C 4 dxy Ryd( 5d) 0.00000 6.97128 194 C 4 dxz Ryd( 3d) 0.00036 4.09405 195 C 4 dxz Ryd( 4d) 0.00027 5.00517 196 C 4 dxz Ryd( 5d) 0.00000 7.78339 197 C 4 dyz Ryd( 3d) 0.00086 1.81627 198 C 4 dyz Ryd( 4d) 0.00007 3.17560 199 C 4 dyz Ryd( 5d) 0.00000 7.16251 200 C 4 dx2y2 Ryd( 3d) 0.00093 3.49044 201 C 4 dx2y2 Ryd( 4d) 0.00018 3.43186 202 C 4 dx2y2 Ryd( 5d) 0.00001 7.60754 203 C 4 dz2 Ryd( 3d) 0.00069 3.89427 204 C 4 dz2 Ryd( 4d) 0.00018 4.95546 205 C 4 dz2 Ryd( 5d) 0.00001 8.28834 206 C 4 f(0) Ryd( 4f) 0.00025 3.82688 207 C 4 f(0) Ryd( 5f) 0.00001 8.28342 208 C 4 f(c1) Ryd( 4f) 0.00033 4.66544 209 C 4 f(c1) Ryd( 5f) 0.00001 8.48576 210 C 4 f(s1) Ryd( 4f) 0.00018 2.95836 211 C 4 f(s1) Ryd( 5f) 0.00000 7.84839 212 C 4 f(c2) Ryd( 4f) 0.00029 3.65201 213 C 4 f(c2) Ryd( 5f) 0.00001 7.94568 214 C 4 f(s2) Ryd( 4f) 0.00007 3.10457 215 C 4 f(s2) Ryd( 5f) 0.00000 7.66468 216 C 4 f(c3) Ryd( 4f) 0.00019 3.30530 217 C 4 f(c3) Ryd( 5f) 0.00000 7.74894 218 C 4 f(s3) Ryd( 4f) 0.00012 2.82828 219 C 4 f(s3) Ryd( 5f) 0.00000 7.48718 220 C 4 g(0) Ryd( 5g) 0.00005 6.35038 221 C 4 g(c1) Ryd( 5g) 0.00010 6.64214 222 C 4 g(s1) Ryd( 5g) 0.00001 6.22166 223 C 4 g(c2) Ryd( 5g) 0.00005 6.25135 224 C 4 g(s2) Ryd( 5g) 0.00007 6.16504 225 C 4 g(c3) Ryd( 5g) 0.00001 6.23907 226 C 4 g(s3) Ryd( 5g) 0.00001 6.27654 227 C 4 g(c4) Ryd( 5g) 0.00001 6.17273 228 C 4 g(s4) Ryd( 5g) 0.00001 5.98531 229 C 5 s Cor( 1s) 0.99999 -10.06014 230 C 5 s Val( 2s) 0.49492 -0.02645 231 C 5 s Ryd( 3s) 0.00065 3.91632 232 C 5 s Ryd( 4s) 0.00005 4.48346 233 C 5 s Ryd( 5s) 0.00000 13.49843 234 C 5 s Ryd( 6s) 0.00000 13.84531 235 C 5 s Ryd( 7s) 0.00000 128.87317 236 C 5 px Val( 2p) 0.59526 0.10530 237 C 5 px Ryd( 3p) 0.00227 1.71924 238 C 5 px Ryd( 4p) 0.00037 2.29242 239 C 5 px Ryd( 5p) 0.00002 5.18195 240 C 5 py Val( 2p) 0.55918 0.01105 241 C 5 py Ryd( 3p) 0.00148 0.97713 242 C 5 py Ryd( 4p) 0.00026 1.13609 243 C 5 py Ryd( 5p) 0.00001 4.27600 244 C 5 pz Val( 2p) 0.50747 0.11104 245 C 5 pz Ryd( 3p) 0.00270 1.48466 246 C 5 pz Ryd( 4p) 0.00024 1.19619 247 C 5 pz Ryd( 5p) 0.00003 5.20300 248 C 5 dxy Ryd( 3d) 0.00112 1.88667 249 C 5 dxy Ryd( 4d) 0.00003 3.29113 250 C 5 dxy Ryd( 5d) 0.00000 7.11802 251 C 5 dxz Ryd( 3d) 0.00061 5.38893 252 C 5 dxz Ryd( 4d) 0.00015 5.11826 253 C 5 dxz Ryd( 5d) 0.00000 7.38987 254 C 5 dyz Ryd( 3d) 0.00020 1.90510 255 C 5 dyz Ryd( 4d) 0.00023 2.82414 256 C 5 dyz Ryd( 5d) 0.00000 7.00021 257 C 5 dx2y2 Ryd( 3d) 0.00089 2.89646 258 C 5 dx2y2 Ryd( 4d) 0.00018 4.37901 259 C 5 dx2y2 Ryd( 5d) 0.00001 9.21862 260 C 5 dz2 Ryd( 3d) 0.00031 3.23451 261 C 5 dz2 Ryd( 4d) 0.00033 3.99738 262 C 5 dz2 Ryd( 5d) 0.00000 7.40251 263 C 5 f(0) Ryd( 4f) 0.00019 3.82493 264 C 5 f(0) Ryd( 5f) 0.00001 7.95032 265 C 5 f(c1) Ryd( 4f) 0.00033 4.71772 266 C 5 f(c1) Ryd( 5f) 0.00001 8.54424 267 C 5 f(s1) Ryd( 4f) 0.00007 2.99061 268 C 5 f(s1) Ryd( 5f) 0.00000 7.41729 269 C 5 f(c2) Ryd( 4f) 0.00017 3.57216 270 C 5 f(c2) Ryd( 5f) 0.00000 8.25822 271 C 5 f(s2) Ryd( 4f) 0.00006 3.09415 272 C 5 f(s2) Ryd( 5f) 0.00001 7.63240 273 C 5 f(c3) Ryd( 4f) 0.00032 3.37844 274 C 5 f(c3) Ryd( 5f) 0.00000 7.76520 275 C 5 f(s3) Ryd( 4f) 0.00028 2.88657 276 C 5 f(s3) Ryd( 5f) 0.00000 8.04907 277 C 5 g(0) Ryd( 5g) 0.00005 6.46951 278 C 5 g(c1) Ryd( 5g) 0.00009 6.46227 279 C 5 g(s1) Ryd( 5g) 0.00000 6.20728 280 C 5 g(c2) Ryd( 5g) 0.00006 6.34863 281 C 5 g(s2) Ryd( 5g) 0.00007 6.17023 282 C 5 g(c3) Ryd( 5g) 0.00001 6.25935 283 C 5 g(s3) Ryd( 5g) 0.00001 6.32981 284 C 5 g(c4) Ryd( 5g) 0.00001 6.13785 285 C 5 g(s4) Ryd( 5g) 0.00001 5.98839 286 C 6 s Cor( 1s) 0.99999 -10.07103 287 C 6 s Val( 2s) 0.49291 -0.03414 288 C 6 s Ryd( 3s) 0.00057 3.98698 289 C 6 s Ryd( 4s) 0.00007 4.02457 290 C 6 s Ryd( 6s) 0.00000 14.13645 291 C 6 s Ryd( 5s) 0.00000 13.22948 292 C 6 s Ryd( 7s) 0.00000 129.79283 293 C 6 px Val( 2p) 0.57019 0.05618 294 C 6 px Ryd( 3p) 0.00127 1.44712 295 C 6 px Ryd( 4p) 0.00015 1.61681 296 C 6 px Ryd( 5p) 0.00001 4.69942 297 C 6 py Val( 2p) 0.57398 0.04118 298 C 6 py Ryd( 3p) 0.00266 1.15304 299 C 6 py Ryd( 4p) 0.00025 1.59659 300 C 6 py Ryd( 5p) 0.00002 4.85093 301 C 6 pz Val( 2p) 0.50864 0.10227 302 C 6 pz Ryd( 3p) 0.00272 1.50904 303 C 6 pz Ryd( 4p) 0.00019 1.19068 304 C 6 pz Ryd( 5p) 0.00003 5.24886 305 C 6 dxy Ryd( 3d) 0.00087 2.94345 306 C 6 dxy Ryd( 4d) 0.00014 4.30584 307 C 6 dxy Ryd( 5d) 0.00001 9.03396 308 C 6 dxz Ryd( 3d) 0.00022 3.34749 309 C 6 dxz Ryd( 4d) 0.00024 3.90641 310 C 6 dxz Ryd( 5d) 0.00000 7.27759 311 C 6 dyz Ryd( 3d) 0.00055 3.62152 312 C 6 dyz Ryd( 4d) 0.00015 4.06663 313 C 6 dyz Ryd( 5d) 0.00000 7.11602 314 C 6 dx2y2 Ryd( 3d) 0.00124 1.72917 315 C 6 dx2y2 Ryd( 4d) 0.00004 3.16765 316 C 6 dx2y2 Ryd( 5d) 0.00000 7.06535 317 C 6 dz2 Ryd( 3d) 0.00032 3.30612 318 C 6 dz2 Ryd( 4d) 0.00032 4.02102 319 C 6 dz2 Ryd( 5d) 0.00000 7.40488 320 C 6 f(0) Ryd( 4f) 0.00021 3.90124 321 C 6 f(0) Ryd( 5f) 0.00001 7.96335 322 C 6 f(c1) Ryd( 4f) 0.00022 3.81733 323 C 6 f(c1) Ryd( 5f) 0.00001 7.86546 324 C 6 f(s1) Ryd( 4f) 0.00016 3.79193 325 C 6 f(s1) Ryd( 5f) 0.00001 7.89059 326 C 6 f(c2) Ryd( 4f) 0.00005 3.01581 327 C 6 f(c2) Ryd( 5f) 0.00001 7.58569 328 C 6 f(s2) Ryd( 4f) 0.00018 3.61541 329 C 6 f(s2) Ryd( 5f) 0.00000 8.20296 330 C 6 f(c3) Ryd( 4f) 0.00024 3.08569 331 C 6 f(c3) Ryd( 5f) 0.00000 7.87692 332 C 6 f(s3) Ryd( 4f) 0.00036 3.10910 333 C 6 f(s3) Ryd( 5f) 0.00000 7.78079 334 C 6 g(0) Ryd( 5g) 0.00005 6.42602 335 C 6 g(c1) Ryd( 5g) 0.00005 6.32513 336 C 6 g(s1) Ryd( 5g) 0.00005 6.35870 337 C 6 g(c2) Ryd( 5g) 0.00006 6.19537 338 C 6 g(s2) Ryd( 5g) 0.00005 6.33056 339 C 6 g(c3) Ryd( 5g) 0.00001 6.29509 340 C 6 g(s3) Ryd( 5g) 0.00001 6.22743 341 C 6 g(c4) Ryd( 5g) 0.00001 6.11311 342 C 6 g(s4) Ryd( 5g) 0.00001 5.96380 343 C 7 s Cor( 1s) 0.99999 -10.07611 344 C 7 s Val( 2s) 0.49174 -0.03300 345 C 7 s Ryd( 3s) 0.00071 3.97804 346 C 7 s Ryd( 4s) 0.00004 4.94602 347 C 7 s Ryd( 5s) 0.00000 12.59856 348 C 7 s Ryd( 6s) 0.00000 13.29077 349 C 7 s Ryd( 7s) 0.00000 129.74335 350 C 7 px Val( 2p) 0.53477 0.04877 351 C 7 px Ryd( 3p) 0.00161 1.26641 352 C 7 px Ryd( 4p) 0.00019 1.26990 353 C 7 px Ryd( 5p) 0.00002 4.65945 354 C 7 py Val( 2p) 0.54285 0.04640 355 C 7 py Ryd( 3p) 0.00231 1.19398 356 C 7 py Ryd( 4p) 0.00022 1.34703 357 C 7 py Ryd( 5p) 0.00002 4.80795 358 C 7 pz Val( 2p) 0.57298 0.09565 359 C 7 pz Ryd( 3p) 0.00216 1.64302 360 C 7 pz Ryd( 4p) 0.00013 2.03801 361 C 7 pz Ryd( 5p) 0.00003 5.09510 362 C 7 dxy Ryd( 3d) 0.00091 3.57458 363 C 7 dxy Ryd( 4d) 0.00016 3.49320 364 C 7 dxy Ryd( 5d) 0.00001 7.64430 365 C 7 dxz Ryd( 3d) 0.00067 2.90862 366 C 7 dxz Ryd( 4d) 0.00015 3.98033 367 C 7 dxz Ryd( 5d) 0.00000 7.33032 368 C 7 dyz Ryd( 3d) 0.00047 2.63153 369 C 7 dyz Ryd( 4d) 0.00023 4.07455 370 C 7 dyz Ryd( 5d) 0.00000 7.66468 371 C 7 dx2y2 Ryd( 3d) 0.00034 1.76884 372 C 7 dx2y2 Ryd( 4d) 0.00020 2.84796 373 C 7 dx2y2 Ryd( 5d) 0.00000 6.97170 374 C 7 dz2 Ryd( 3d) 0.00071 4.09657 375 C 7 dz2 Ryd( 4d) 0.00016 4.96138 376 C 7 dz2 Ryd( 5d) 0.00001 8.17266 377 C 7 f(0) Ryd( 4f) 0.00024 3.84147 378 C 7 f(0) Ryd( 5f) 0.00001 8.30411 379 C 7 f(c1) Ryd( 4f) 0.00027 3.76229 380 C 7 f(c1) Ryd( 5f) 0.00001 8.18027 381 C 7 f(s1) Ryd( 4f) 0.00027 3.85113 382 C 7 f(s1) Ryd( 5f) 0.00001 7.97124 383 C 7 f(c2) Ryd( 4f) 0.00006 3.06218 384 C 7 f(c2) Ryd( 5f) 0.00000 7.64341 385 C 7 f(s2) Ryd( 4f) 0.00027 3.61709 386 C 7 f(s2) Ryd( 5f) 0.00001 7.88573 387 C 7 f(c3) Ryd( 4f) 0.00015 3.10342 388 C 7 f(c3) Ryd( 5f) 0.00000 7.65629 389 C 7 f(s3) Ryd( 4f) 0.00018 2.99687 390 C 7 f(s3) Ryd( 5f) 0.00000 7.58483 391 C 7 g(0) Ryd( 5g) 0.00005 6.37150 392 C 7 g(c1) Ryd( 5g) 0.00005 6.42242 393 C 7 g(s1) Ryd( 5g) 0.00005 6.40872 394 C 7 g(c2) Ryd( 5g) 0.00008 6.11129 395 C 7 g(s2) Ryd( 5g) 0.00005 6.27554 396 C 7 g(c3) Ryd( 5g) 0.00001 6.22653 397 C 7 g(s3) Ryd( 5g) 0.00001 6.26504 398 C 7 g(c4) Ryd( 5g) 0.00001 6.18316 399 C 7 g(s4) Ryd( 5g) 0.00001 5.94934 400 C 8 s Cor( 1s) 0.99999 -10.07766 401 C 8 s Val( 2s) 0.48889 -0.03629 402 C 8 s Ryd( 3s) 0.00084 3.77534 403 C 8 s Ryd( 4s) 0.00006 4.24260 404 C 8 s Ryd( 5s) 0.00000 13.21731 405 C 8 s Ryd( 6s) 0.00000 13.47962 406 C 8 s Ryd( 7s) 0.00000 129.62971 407 C 8 px Val( 2p) 0.56690 0.03280 408 C 8 px Ryd( 3p) 0.00241 1.15945 409 C 8 px Ryd( 4p) 0.00024 1.42660 410 C 8 px Ryd( 5p) 0.00002 4.85059 411 C 8 py Val( 2p) 0.55122 0.05085 412 C 8 py Ryd( 3p) 0.00156 1.36611 413 C 8 py Ryd( 4p) 0.00012 1.31849 414 C 8 py Ryd( 5p) 0.00002 4.78422 415 C 8 pz Val( 2p) 0.54786 0.09298 416 C 8 pz Ryd( 3p) 0.00236 1.61022 417 C 8 pz Ryd( 4p) 0.00013 1.70587 418 C 8 pz Ryd( 5p) 0.00003 5.26646 419 C 8 dxy Ryd( 3d) 0.00098 3.68768 420 C 8 dxy Ryd( 4d) 0.00010 3.97398 421 C 8 dxy Ryd( 5d) 0.00001 7.97449 422 C 8 dxz Ryd( 3d) 0.00034 2.33527 423 C 8 dxz Ryd( 4d) 0.00025 3.97367 424 C 8 dxz Ryd( 5d) 0.00000 7.69140 425 C 8 dyz Ryd( 3d) 0.00043 2.53058 426 C 8 dyz Ryd( 4d) 0.00025 3.97693 427 C 8 dyz Ryd( 5d) 0.00000 7.50538 428 C 8 dx2y2 Ryd( 3d) 0.00063 1.72799 429 C 8 dx2y2 Ryd( 4d) 0.00012 2.97091 430 C 8 dx2y2 Ryd( 5d) 0.00000 7.01105 431 C 8 dz2 Ryd( 3d) 0.00075 4.78460 432 C 8 dz2 Ryd( 4d) 0.00012 4.76967 433 C 8 dz2 Ryd( 5d) 0.00001 7.57879 434 C 8 f(0) Ryd( 4f) 0.00025 4.07878 435 C 8 f(0) Ryd( 5f) 0.00001 8.35533 436 C 8 f(c1) Ryd( 4f) 0.00018 3.57011 437 C 8 f(c1) Ryd( 5f) 0.00001 7.90394 438 C 8 f(s1) Ryd( 4f) 0.00025 3.78702 439 C 8 f(s1) Ryd( 5f) 0.00001 8.03386 440 C 8 f(c2) Ryd( 4f) 0.00007 3.10851 441 C 8 f(c2) Ryd( 5f) 0.00000 7.67789 442 C 8 f(s2) Ryd( 4f) 0.00028 3.67161 443 C 8 f(s2) Ryd( 5f) 0.00001 7.77177 444 C 8 f(c3) Ryd( 4f) 0.00025 3.13175 445 C 8 f(c3) Ryd( 5f) 0.00000 7.76286 446 C 8 f(s3) Ryd( 4f) 0.00017 2.98646 447 C 8 f(s3) Ryd( 5f) 0.00001 7.69266 448 C 8 g(0) Ryd( 5g) 0.00006 6.50084 449 C 8 g(c1) Ryd( 5g) 0.00005 6.23558 450 C 8 g(s1) Ryd( 5g) 0.00005 6.32575 451 C 8 g(c2) Ryd( 5g) 0.00005 6.27574 452 C 8 g(s2) Ryd( 5g) 0.00004 6.44381 453 C 8 g(c3) Ryd( 5g) 0.00002 6.11293 454 C 8 g(s3) Ryd( 5g) 0.00002 6.16801 455 C 8 g(c4) Ryd( 5g) 0.00002 6.20626 456 C 8 g(s4) Ryd( 5g) 0.00001 5.99069 457 C 9 s Cor( 1s) 0.99999 -10.07791 458 C 9 s Val( 2s) 0.48867 -0.03656 459 C 9 s Ryd( 3s) 0.00087 3.77161 460 C 9 s Ryd( 4s) 0.00006 4.16771 461 C 9 s Ryd( 5s) 0.00000 13.14347 462 C 9 s Ryd( 6s) 0.00000 13.72315 463 C 9 s Ryd( 7s) 0.00000 129.39082 464 C 9 px Val( 2p) 0.57086 0.03159 465 C 9 px Ryd( 3p) 0.00235 1.16783 466 C 9 px Ryd( 4p) 0.00025 1.47802 467 C 9 px Ryd( 5p) 0.00001 4.85275 468 C 9 py Val( 2p) 0.57058 0.05213 469 C 9 py Ryd( 3p) 0.00130 1.46616 470 C 9 py Ryd( 4p) 0.00009 1.59941 471 C 9 py Ryd( 5p) 0.00001 4.77749 472 C 9 pz Val( 2p) 0.52460 0.09222 473 C 9 pz Ryd( 3p) 0.00256 1.52822 474 C 9 pz Ryd( 4p) 0.00016 1.34019 475 C 9 pz Ryd( 5p) 0.00003 5.29094 476 C 9 dxy Ryd( 3d) 0.00092 3.36786 477 C 9 dxy Ryd( 4d) 0.00010 4.26122 478 C 9 dxy Ryd( 5d) 0.00001 8.53067 479 C 9 dxz Ryd( 3d) 0.00044 2.73589 480 C 9 dxz Ryd( 4d) 0.00022 3.80018 481 C 9 dxz Ryd( 5d) 0.00000 7.27963 482 C 9 dyz Ryd( 3d) 0.00025 2.96449 483 C 9 dyz Ryd( 4d) 0.00026 4.06743 484 C 9 dyz Ryd( 5d) 0.00000 7.58534 485 C 9 dx2y2 Ryd( 3d) 0.00099 1.72417 486 C 9 dx2y2 Ryd( 4d) 0.00008 3.13346 487 C 9 dx2y2 Ryd( 5d) 0.00000 7.07278 488 C 9 dz2 Ryd( 3d) 0.00058 4.26403 489 C 9 dz2 Ryd( 4d) 0.00019 4.36216 490 C 9 dz2 Ryd( 5d) 0.00001 7.30437 491 C 9 f(0) Ryd( 4f) 0.00028 4.24550 492 C 9 f(0) Ryd( 5f) 0.00001 8.15730 493 C 9 f(c1) Ryd( 4f) 0.00012 3.44733 494 C 9 f(c1) Ryd( 5f) 0.00001 7.84354 495 C 9 f(s1) Ryd( 4f) 0.00017 3.64556 496 C 9 f(s1) Ryd( 5f) 0.00001 8.00573 497 C 9 f(c2) Ryd( 4f) 0.00006 3.04782 498 C 9 f(c2) Ryd( 5f) 0.00000 7.63040 499 C 9 f(s2) Ryd( 4f) 0.00026 3.78282 500 C 9 f(s2) Ryd( 5f) 0.00001 7.94763 501 C 9 f(c3) Ryd( 4f) 0.00033 3.14443 502 C 9 f(c3) Ryd( 5f) 0.00000 7.75369 503 C 9 f(s3) Ryd( 4f) 0.00022 3.01178 504 C 9 f(s3) Ryd( 5f) 0.00000 7.87472 505 C 9 g(0) Ryd( 5g) 0.00007 6.31124 506 C 9 g(c1) Ryd( 5g) 0.00006 6.34033 507 C 9 g(s1) Ryd( 5g) 0.00006 6.40079 508 C 9 g(c2) Ryd( 5g) 0.00000 6.46877 509 C 9 g(s2) Ryd( 5g) 0.00004 6.30338 510 C 9 g(c3) Ryd( 5g) 0.00003 6.11068 511 C 9 g(s3) Ryd( 5g) 0.00005 6.12296 512 C 9 g(c4) Ryd( 5g) 0.00001 6.16978 513 C 9 g(s4) Ryd( 5g) 0.00000 6.01958 514 C 10 s Cor( 1s) 0.99999 -10.07658 515 C 10 s Val( 2s) 0.49159 -0.03428 516 C 10 s Ryd( 3s) 0.00075 3.96730 517 C 10 s Ryd( 4s) 0.00004 4.94440 518 C 10 s Ryd( 5s) 0.00000 12.81305 519 C 10 s Ryd( 6s) 0.00000 13.10830 520 C 10 s Ryd( 7s) 0.00000 129.81764 521 C 10 px Val( 2p) 0.53524 0.04664 522 C 10 px Ryd( 3p) 0.00171 1.25481 523 C 10 px Ryd( 4p) 0.00019 1.22121 524 C 10 px Ryd( 5p) 0.00002 4.65783 525 C 10 py Val( 2p) 0.53132 0.04963 526 C 10 py Ryd( 3p) 0.00213 1.23021 527 C 10 py Ryd( 4p) 0.00019 1.16094 528 C 10 py Ryd( 5p) 0.00002 4.80984 529 C 10 pz Val( 2p) 0.58859 0.09058 530 C 10 pz Ryd( 3p) 0.00221 1.65329 531 C 10 pz Ryd( 4p) 0.00016 2.22746 532 C 10 pz Ryd( 5p) 0.00002 5.08574 533 C 10 dxy Ryd( 3d) 0.00070 3.25035 534 C 10 dxy Ryd( 4d) 0.00021 3.25324 535 C 10 dxy Ryd( 5d) 0.00001 7.47620 536 C 10 dxz Ryd( 3d) 0.00097 3.31927 537 C 10 dxz Ryd( 4d) 0.00009 4.15984 538 C 10 dxz Ryd( 5d) 0.00000 7.34160 539 C 10 dyz Ryd( 3d) 0.00094 3.58485 540 C 10 dyz Ryd( 4d) 0.00009 4.17006 541 C 10 dyz Ryd( 5d) 0.00000 7.20421 542 C 10 dx2y2 Ryd( 3d) 0.00009 1.75542 543 C 10 dx2y2 Ryd( 4d) 0.00024 2.77060 544 C 10 dx2y2 Ryd( 5d) 0.00000 6.94880 545 C 10 dz2 Ryd( 3d) 0.00048 3.00049 546 C 10 dz2 Ryd( 4d) 0.00026 5.02733 547 C 10 dz2 Ryd( 5d) 0.00001 8.80164 548 C 10 f(0) Ryd( 4f) 0.00032 4.08985 549 C 10 f(0) Ryd( 5f) 0.00001 8.04336 550 C 10 f(c1) Ryd( 4f) 0.00026 3.57342 551 C 10 f(c1) Ryd( 5f) 0.00001 8.19456 552 C 10 f(s1) Ryd( 4f) 0.00024 3.64623 553 C 10 f(s1) Ryd( 5f) 0.00001 8.28307 554 C 10 f(c2) Ryd( 4f) 0.00002 2.99626 555 C 10 f(c2) Ryd( 5f) 0.00001 7.59903 556 C 10 f(s2) Ryd( 4f) 0.00026 3.87638 557 C 10 f(s2) Ryd( 5f) 0.00001 8.08213 558 C 10 f(c3) Ryd( 4f) 0.00016 3.04848 559 C 10 f(c3) Ryd( 5f) 0.00001 7.52092 560 C 10 f(s3) Ryd( 4f) 0.00017 3.01536 561 C 10 f(s3) Ryd( 5f) 0.00000 7.48286 562 C 10 g(0) Ryd( 5g) 0.00006 6.37226 563 C 10 g(c1) Ryd( 5g) 0.00005 6.30906 564 C 10 g(s1) Ryd( 5g) 0.00006 6.28987 565 C 10 g(c2) Ryd( 5g) 0.00002 6.42671 566 C 10 g(s2) Ryd( 5g) 0.00005 6.34132 567 C 10 g(c3) Ryd( 5g) 0.00003 6.20166 568 C 10 g(s3) Ryd( 5g) 0.00004 6.14855 569 C 10 g(c4) Ryd( 5g) 0.00001 6.14599 570 C 10 g(s4) Ryd( 5g) 0.00000 5.98101 571 H 11 s Val( 1s) 0.37975 0.18651 572 H 11 s Ryd( 3s) 0.00027 2.03043 573 H 11 s Ryd( 2s) 0.00021 1.05577 574 H 11 s Ryd( 4s) 0.00000 6.28773 575 H 11 px Ryd( 2p) 0.00015 2.68437 576 H 11 px Ryd( 3p) 0.00002 3.72497 577 H 11 px Ryd( 4p) 0.00001 8.27653 578 H 11 py Ryd( 2p) 0.00010 2.38388 579 H 11 py Ryd( 3p) 0.00004 3.16954 580 H 11 py Ryd( 4p) 0.00000 8.46534 581 H 11 pz Ryd( 2p) 0.00040 4.21223 582 H 11 pz Ryd( 3p) 0.00004 6.90056 583 H 11 pz Ryd( 4p) 0.00000 9.68473 584 H 11 dxy Ryd( 3d) 0.00001 3.20531 585 H 11 dxy Ryd( 4d) 0.00000 9.17129 586 H 11 dxz Ryd( 3d) 0.00005 4.36695 587 H 11 dxz Ryd( 4d) 0.00000 10.88746 588 H 11 dyz Ryd( 3d) 0.00005 4.08193 589 H 11 dyz Ryd( 4d) 0.00000 10.10091 590 H 11 dx2y2 Ryd( 3d) 0.00001 3.37375 591 H 11 dx2y2 Ryd( 4d) 0.00000 9.29955 592 H 11 dz2 Ryd( 3d) 0.00007 4.82606 593 H 11 dz2 Ryd( 4d) 0.00000 12.36631 594 H 11 f(0) Ryd( 4f) 0.00002 7.92199 595 H 11 f(c1) Ryd( 4f) 0.00001 7.99768 596 H 11 f(s1) Ryd( 4f) 0.00000 7.75025 597 H 11 f(c2) Ryd( 4f) 0.00000 7.88490 598 H 11 f(s2) Ryd( 4f) 0.00000 7.81864 599 H 11 f(c3) Ryd( 4f) 0.00000 7.04266 600 H 11 f(s3) Ryd( 4f) 0.00000 7.01272 601 H 12 s Val( 1s) 0.38779 0.16780 602 H 12 s Ryd( 2s) 0.00023 1.31593 603 H 12 s Ryd( 3s) 0.00017 1.76845 604 H 12 s Ryd( 4s) 0.00000 6.34130 605 H 12 px Ryd( 2p) 0.00039 3.85333 606 H 12 px Ryd( 3p) 0.00004 6.34540 607 H 12 px Ryd( 4p) 0.00001 9.45035 608 H 12 py Ryd( 2p) 0.00008 2.44725 609 H 12 py Ryd( 3p) 0.00005 3.24403 610 H 12 py Ryd( 4p) 0.00000 8.42664 611 H 12 pz Ryd( 2p) 0.00018 2.97974 612 H 12 pz Ryd( 3p) 0.00002 4.50239 613 H 12 pz Ryd( 4p) 0.00001 8.57200 614 H 12 dxy Ryd( 3d) 0.00004 3.90669 615 H 12 dxy Ryd( 4d) 0.00000 9.76909 616 H 12 dxz Ryd( 3d) 0.00006 4.44673 617 H 12 dxz Ryd( 4d) 0.00000 11.36997 618 H 12 dyz Ryd( 3d) 0.00002 3.44490 619 H 12 dyz Ryd( 4d) 0.00000 9.32620 620 H 12 dx2y2 Ryd( 3d) 0.00004 4.33397 621 H 12 dx2y2 Ryd( 4d) 0.00000 10.84841 622 H 12 dz2 Ryd( 3d) 0.00003 3.90383 623 H 12 dz2 Ryd( 4d) 0.00000 10.02714 624 H 12 f(0) Ryd( 4f) 0.00001 7.68913 625 H 12 f(c1) Ryd( 4f) 0.00001 7.81941 626 H 12 f(s1) Ryd( 4f) 0.00000 7.39582 627 H 12 f(c2) Ryd( 4f) 0.00001 7.49738 628 H 12 f(s2) Ryd( 4f) 0.00000 7.51692 629 H 12 f(c3) Ryd( 4f) 0.00001 7.81893 630 H 12 f(s3) Ryd( 4f) 0.00000 7.63337 631 H 13 s Val( 1s) 0.38695 0.16860 632 H 13 s Ryd( 2s) 0.00023 1.35322 633 H 13 s Ryd( 3s) 0.00016 1.77348 634 H 13 s Ryd( 4s) 0.00000 6.30779 635 H 13 px Ryd( 2p) 0.00033 3.49422 636 H 13 px Ryd( 3p) 0.00003 5.62326 637 H 13 px Ryd( 4p) 0.00001 9.12420 638 H 13 py Ryd( 2p) 0.00006 2.35488 639 H 13 py Ryd( 3p) 0.00005 3.31320 640 H 13 py Ryd( 4p) 0.00000 8.41887 641 H 13 pz Ryd( 2p) 0.00026 3.30623 642 H 13 pz Ryd( 3p) 0.00002 5.10158 643 H 13 pz Ryd( 4p) 0.00001 8.91429 644 H 13 dxy Ryd( 3d) 0.00004 3.71458 645 H 13 dxy Ryd( 4d) 0.00000 9.53186 646 H 13 dxz Ryd( 3d) 0.00005 4.42066 647 H 13 dxz Ryd( 4d) 0.00000 11.81277 648 H 13 dyz Ryd( 3d) 0.00003 3.67934 649 H 13 dyz Ryd( 4d) 0.00000 9.44823 650 H 13 dx2y2 Ryd( 3d) 0.00003 4.07043 651 H 13 dx2y2 Ryd( 4d) 0.00000 10.37545 652 H 13 dz2 Ryd( 3d) 0.00005 4.15356 653 H 13 dz2 Ryd( 4d) 0.00000 10.34710 654 H 13 f(0) Ryd( 4f) 0.00000 7.88821 655 H 13 f(c1) Ryd( 4f) 0.00001 7.80589 656 H 13 f(s1) Ryd( 4f) 0.00000 7.63111 657 H 13 f(c2) Ryd( 4f) 0.00001 7.48889 658 H 13 f(s2) Ryd( 4f) 0.00000 7.35450 659 H 13 f(c3) Ryd( 4f) 0.00000 7.67763 660 H 13 f(s3) Ryd( 4f) 0.00000 7.51349 661 H 14 s Val( 1s) 0.37885 0.18976 662 H 14 s Ryd( 3s) 0.00038 1.76361 663 H 14 s Ryd( 2s) 0.00021 1.27351 664 H 14 s Ryd( 4s) 0.00000 6.30829 665 H 14 px Ryd( 2p) 0.00022 2.86050 666 H 14 px Ryd( 3p) 0.00003 4.15932 667 H 14 px Ryd( 4p) 0.00001 8.43724 668 H 14 py Ryd( 2p) 0.00010 2.28291 669 H 14 py Ryd( 3p) 0.00004 3.39008 670 H 14 py Ryd( 4p) 0.00000 8.45179 671 H 14 pz Ryd( 2p) 0.00037 4.02162 672 H 14 pz Ryd( 3p) 0.00003 6.34695 673 H 14 pz Ryd( 4p) 0.00000 9.44286 674 H 14 dxy Ryd( 3d) 0.00001 3.34503 675 H 14 dxy Ryd( 4d) 0.00000 9.27093 676 H 14 dxz Ryd( 3d) 0.00005 4.35830 677 H 14 dxz Ryd( 4d) 0.00000 11.36555 678 H 14 dyz Ryd( 3d) 0.00005 4.04980 679 H 14 dyz Ryd( 4d) 0.00000 9.89174 680 H 14 dx2y2 Ryd( 3d) 0.00002 3.54657 681 H 14 dx2y2 Ryd( 4d) 0.00000 9.49481 682 H 14 dz2 Ryd( 3d) 0.00005 4.61531 683 H 14 dz2 Ryd( 4d) 0.00000 11.81962 684 H 14 f(0) Ryd( 4f) 0.00001 7.99524 685 H 14 f(c1) Ryd( 4f) 0.00002 7.92345 686 H 14 f(s1) Ryd( 4f) 0.00000 7.77282 687 H 14 f(c2) Ryd( 4f) 0.00000 7.73597 688 H 14 f(s2) Ryd( 4f) 0.00000 7.61288 689 H 14 f(c3) Ryd( 4f) 0.00000 7.21377 690 H 14 f(s3) Ryd( 4f) 0.00000 7.17628 691 H 15 s Val( 1s) 0.37143 0.20209 692 H 15 s Ryd( 3s) 0.00081 1.92133 693 H 15 s Ryd( 2s) 0.00023 1.59515 694 H 15 s Ryd( 4s) 0.00000 5.75337 695 H 15 px Ryd( 2p) 0.00042 4.38948 696 H 15 px Ryd( 3p) 0.00005 7.51172 697 H 15 px Ryd( 4p) 0.00001 9.75458 698 H 15 py Ryd( 2p) 0.00015 2.28813 699 H 15 py Ryd( 3p) 0.00002 3.49642 700 H 15 py Ryd( 4p) 0.00000 8.45920 701 H 15 pz Ryd( 2p) 0.00017 2.49655 702 H 15 pz Ryd( 3p) 0.00002 3.82176 703 H 15 pz Ryd( 4p) 0.00000 8.25417 704 H 15 dxy Ryd( 3d) 0.00006 4.23360 705 H 15 dxy Ryd( 4d) 0.00000 9.86937 706 H 15 dxz Ryd( 3d) 0.00006 4.43665 707 H 15 dxz Ryd( 4d) 0.00000 10.67359 708 H 15 dyz Ryd( 3d) 0.00000 3.23174 709 H 15 dyz Ryd( 4d) 0.00000 9.11177 710 H 15 dx2y2 Ryd( 3d) 0.00004 4.65976 711 H 15 dx2y2 Ryd( 4d) 0.00000 11.65864 712 H 15 dz2 Ryd( 3d) 0.00002 3.64307 713 H 15 dz2 Ryd( 4d) 0.00000 10.00396 714 H 15 f(0) Ryd( 4f) 0.00000 7.30356 715 H 15 f(c1) Ryd( 4f) 0.00001 7.96440 716 H 15 f(s1) Ryd( 4f) 0.00000 6.96136 717 H 15 f(c2) Ryd( 4f) 0.00001 7.63442 718 H 15 f(s2) Ryd( 4f) 0.00000 7.94072 719 H 15 f(c3) Ryd( 4f) 0.00002 7.98021 720 H 15 f(s3) Ryd( 4f) 0.00000 7.61024 721 H 16 s Val( 1s) 0.37435 0.18939 722 H 16 s Ryd( 3s) 0.00023 1.65856 723 H 16 s Ryd( 2s) 0.00020 1.65186 724 H 16 s Ryd( 4s) 0.00000 6.37304 725 H 16 px Ryd( 2p) 0.00035 3.25416 726 H 16 px Ryd( 3p) 0.00004 5.01675 727 H 16 px Ryd( 4p) 0.00000 9.11189 728 H 16 py Ryd( 2p) 0.00024 3.02770 729 H 16 py Ryd( 3p) 0.00005 5.49660 730 H 16 py Ryd( 4p) 0.00000 9.05494 731 H 16 pz Ryd( 2p) 0.00015 2.39260 732 H 16 pz Ryd( 3p) 0.00001 3.85399 733 H 16 pz Ryd( 4p) 0.00001 8.27688 734 H 16 dxy Ryd( 3d) 0.00005 4.56117 735 H 16 dxy Ryd( 4d) 0.00000 11.86203 736 H 16 dxz Ryd( 3d) 0.00003 3.78164 737 H 16 dxz Ryd( 4d) 0.00000 10.06050 738 H 16 dyz Ryd( 3d) 0.00003 3.74635 739 H 16 dyz Ryd( 4d) 0.00000 9.90122 740 H 16 dx2y2 Ryd( 3d) 0.00005 4.08131 741 H 16 dx2y2 Ryd( 4d) 0.00000 9.95120 742 H 16 dz2 Ryd( 3d) 0.00002 3.62329 743 H 16 dz2 Ryd( 4d) 0.00000 10.10496 744 H 16 f(0) Ryd( 4f) 0.00000 7.34380 745 H 16 f(c1) Ryd( 4f) 0.00000 7.49661 746 H 16 f(s1) Ryd( 4f) 0.00000 7.43867 747 H 16 f(c2) Ryd( 4f) 0.00000 7.89532 748 H 16 f(s2) Ryd( 4f) 0.00001 7.63985 749 H 16 f(c3) Ryd( 4f) 0.00001 7.77864 750 H 16 f(s3) Ryd( 4f) 0.00001 7.81688 751 H 17 s Val( 1s) 0.37853 0.18100 752 H 17 s Ryd( 3s) 0.00030 1.81265 753 H 17 s Ryd( 2s) 0.00017 1.20175 754 H 17 s Ryd( 4s) 0.00000 6.49725 755 H 17 px Ryd( 2p) 0.00016 2.63701 756 H 17 px Ryd( 3p) 0.00002 3.42518 757 H 17 px Ryd( 4p) 0.00001 8.37950 758 H 17 py Ryd( 2p) 0.00013 2.71341 759 H 17 py Ryd( 3p) 0.00004 4.05218 760 H 17 py Ryd( 4p) 0.00000 8.51300 761 H 17 pz Ryd( 2p) 0.00038 3.95160 762 H 17 pz Ryd( 3p) 0.00003 6.06103 763 H 17 pz Ryd( 4p) 0.00000 9.41076 764 H 17 dxy Ryd( 3d) 0.00002 3.59247 765 H 17 dxy Ryd( 4d) 0.00000 9.57721 766 H 17 dxz Ryd( 3d) 0.00004 4.01241 767 H 17 dxz Ryd( 4d) 0.00000 10.38270 768 H 17 dyz Ryd( 3d) 0.00006 4.31366 769 H 17 dyz Ryd( 4d) 0.00000 10.88579 770 H 17 dx2y2 Ryd( 3d) 0.00001 3.35440 771 H 17 dx2y2 Ryd( 4d) 0.00000 9.28311 772 H 17 dz2 Ryd( 3d) 0.00005 4.55443 773 H 17 dz2 Ryd( 4d) 0.00000 11.58315 774 H 17 f(0) Ryd( 4f) 0.00001 7.99731 775 H 17 f(c1) Ryd( 4f) 0.00001 7.80138 776 H 17 f(s1) Ryd( 4f) 0.00001 7.83830 777 H 17 f(c2) Ryd( 4f) 0.00000 7.52800 778 H 17 f(s2) Ryd( 4f) 0.00001 7.69504 779 H 17 f(c3) Ryd( 4f) 0.00000 7.24854 780 H 17 f(s3) Ryd( 4f) 0.00000 7.22398 781 H 18 s Val( 1s) 0.38548 0.16524 782 H 18 s Ryd( 3s) 0.00023 1.64906 783 H 18 s Ryd( 2s) 0.00019 1.42561 784 H 18 s Ryd( 4s) 0.00000 6.38909 785 H 18 px Ryd( 2p) 0.00018 2.80498 786 H 18 px Ryd( 3p) 0.00005 4.74233 787 H 18 px Ryd( 4p) 0.00000 8.79795 788 H 18 py Ryd( 2p) 0.00022 2.82006 789 H 18 py Ryd( 3p) 0.00003 4.02735 790 H 18 py Ryd( 4p) 0.00001 8.65121 791 H 18 pz Ryd( 2p) 0.00029 3.37704 792 H 18 pz Ryd( 3p) 0.00002 5.39582 793 H 18 pz Ryd( 4p) 0.00001 9.05231 794 H 18 dxy Ryd( 3d) 0.00003 3.97767 795 H 18 dxy Ryd( 4d) 0.00000 10.19976 796 H 18 dxz Ryd( 3d) 0.00006 4.25526 797 H 18 dxz Ryd( 4d) 0.00000 10.79329 798 H 18 dyz Ryd( 3d) 0.00003 3.90360 799 H 18 dyz Ryd( 4d) 0.00000 10.52479 800 H 18 dx2y2 Ryd( 3d) 0.00003 3.62899 801 H 18 dx2y2 Ryd( 4d) 0.00000 9.48222 802 H 18 dz2 Ryd( 3d) 0.00005 4.23460 803 H 18 dz2 Ryd( 4d) 0.00000 10.52455 804 H 18 f(0) Ryd( 4f) 0.00000 7.92507 805 H 18 f(c1) Ryd( 4f) 0.00001 7.77028 806 H 18 f(s1) Ryd( 4f) 0.00001 7.70881 807 H 18 f(c2) Ryd( 4f) 0.00000 7.32854 808 H 18 f(s2) Ryd( 4f) 0.00001 7.49879 809 H 18 f(c3) Ryd( 4f) 0.00000 7.52684 810 H 18 f(s3) Ryd( 4f) 0.00000 7.53509 811 H 19 s Val( 1s) 0.38557 0.16504 812 H 19 s Ryd( 3s) 0.00023 1.62650 813 H 19 s Ryd( 2s) 0.00021 1.40611 814 H 19 s Ryd( 4s) 0.00000 6.40622 815 H 19 px Ryd( 2p) 0.00019 2.94513 816 H 19 px Ryd( 3p) 0.00005 5.02243 817 H 19 px Ryd( 4p) 0.00000 8.89266 818 H 19 py Ryd( 2p) 0.00032 3.28881 819 H 19 py Ryd( 3p) 0.00003 4.83390 820 H 19 py Ryd( 4p) 0.00001 9.09007 821 H 19 pz Ryd( 2p) 0.00017 2.83012 822 H 19 pz Ryd( 3p) 0.00002 4.36820 823 H 19 pz Ryd( 4p) 0.00001 8.48331 824 H 19 dxy Ryd( 3d) 0.00004 4.39749 825 H 19 dxy Ryd( 4d) 0.00000 11.10290 826 H 19 dxz Ryd( 3d) 0.00004 3.88384 827 H 19 dxz Ryd( 4d) 0.00000 10.08773 828 H 19 dyz Ryd( 3d) 0.00003 3.92753 829 H 19 dyz Ryd( 4d) 0.00000 10.51316 830 H 19 dx2y2 Ryd( 3d) 0.00004 3.94733 831 H 19 dx2y2 Ryd( 4d) 0.00000 9.74881 832 H 19 dz2 Ryd( 3d) 0.00003 3.84877 833 H 19 dz2 Ryd( 4d) 0.00000 10.01998 834 H 19 f(0) Ryd( 4f) 0.00001 7.62067 835 H 19 f(c1) Ryd( 4f) 0.00000 7.51507 836 H 19 f(s1) Ryd( 4f) 0.00000 7.62298 837 H 19 f(c2) Ryd( 4f) 0.00000 7.56221 838 H 19 f(s2) Ryd( 4f) 0.00001 7.51152 839 H 19 f(c3) Ryd( 4f) 0.00001 7.78964 840 H 19 f(s3) Ryd( 4f) 0.00000 7.68306 841 H 20 s Val( 1s) 0.37896 0.17913 842 H 20 s Ryd( 3s) 0.00025 1.93694 843 H 20 s Ryd( 2s) 0.00017 1.09603 844 H 20 s Ryd( 4s) 0.00000 6.43232 845 H 20 px Ryd( 2p) 0.00013 2.58323 846 H 20 px Ryd( 3p) 0.00002 3.31491 847 H 20 px Ryd( 4p) 0.00001 8.32638 848 H 20 py Ryd( 2p) 0.00009 2.49793 849 H 20 py Ryd( 3p) 0.00002 3.32739 850 H 20 py Ryd( 4p) 0.00000 8.26774 851 H 20 pz Ryd( 2p) 0.00043 4.26657 852 H 20 pz Ryd( 3p) 0.00004 6.82102 853 H 20 pz Ryd( 4p) 0.00000 9.73910 854 H 20 dxy Ryd( 3d) 0.00001 3.32166 855 H 20 dxy Ryd( 4d) 0.00000 9.23828 856 H 20 dxz Ryd( 3d) 0.00005 4.23897 857 H 20 dxz Ryd( 4d) 0.00000 10.47997 858 H 20 dyz Ryd( 3d) 0.00006 4.23520 859 H 20 dyz Ryd( 4d) 0.00000 10.27668 860 H 20 dx2y2 Ryd( 3d) 0.00000 3.16235 861 H 20 dx2y2 Ryd( 4d) 0.00000 9.11776 862 H 20 dz2 Ryd( 3d) 0.00007 4.86839 863 H 20 dz2 Ryd( 4d) 0.00000 12.56580 864 H 20 f(0) Ryd( 4f) 0.00002 7.91297 865 H 20 f(c1) Ryd( 4f) 0.00001 7.84191 866 H 20 f(s1) Ryd( 4f) 0.00000 7.85278 867 H 20 f(c2) Ryd( 4f) 0.00000 7.87777 868 H 20 f(s2) Ryd( 4f) 0.00000 7.94064 869 H 20 f(c3) Ryd( 4f) 0.00000 6.95815 870 H 20 f(s3) Ryd( 4f) 0.00000 6.95678 871 S 21 s Cor( 1s) 1.00000 -87.40091 872 S 21 s Cor( 2s) 1.00000 -8.84295 873 S 21 s Val( 3s) 0.88240 -0.39430 874 S 21 s Ryd( 4s) 0.00185 2.52753 875 S 21 s Ryd( 6s) 0.00003 8.83282 876 S 21 s Ryd( 5s) 0.00000 8.05982 877 S 21 s Ryd( 7s) 0.00000 38.26648 878 S 21 s Ryd( 9s) 0.00000 331.99715 879 S 21 s Ryd( 8s) 0.00000 171.72601 880 S 21 px Cor( 2p) 1.00000 -5.71357 881 S 21 px Val( 3p) 0.58434 -0.06016 882 S 21 px Ryd( 4p) 0.00128 1.32309 883 S 21 px Ryd( 5p) 0.00009 2.27726 884 S 21 px Ryd( 6p) 0.00001 5.42769 885 S 21 px Ryd( 7p) 0.00000 28.32680 886 S 21 py Cor( 2p) 1.00000 -5.70706 887 S 21 py Val( 3p) 0.82516 -0.07301 888 S 21 py Ryd( 4p) 0.00056 1.03085 889 S 21 py Ryd( 5p) 0.00007 2.00386 890 S 21 py Ryd( 6p) 0.00001 5.30191 891 S 21 py Ryd( 7p) 0.00000 28.44059 892 S 21 pz Cor( 2p) 1.00000 -5.70532 893 S 21 pz Val( 3p) 0.90049 -0.08270 894 S 21 pz Ryd( 4p) 0.00051 0.99735 895 S 21 pz Ryd( 5p) 0.00009 1.81488 896 S 21 pz Ryd( 6p) 0.00000 5.04795 897 S 21 pz Ryd( 7p) 0.00000 28.45428 898 S 21 dxy Ryd( 3d) 0.00493 1.04893 899 S 21 dxy Ryd( 4d) 0.00017 1.99400 900 S 21 dxy Ryd( 5d) 0.00000 4.37309 901 S 21 dxy Ryd( 6d) 0.00000 8.61199 902 S 21 dxz Ryd( 3d) 0.00253 0.83491 903 S 21 dxz Ryd( 4d) 0.00030 1.78385 904 S 21 dxz Ryd( 5d) 0.00001 3.95296 905 S 21 dxz Ryd( 6d) 0.00000 8.79593 906 S 21 dyz Ryd( 3d) 0.00255 0.76433 907 S 21 dyz Ryd( 4d) 0.00020 1.61169 908 S 21 dyz Ryd( 5d) 0.00000 3.74301 909 S 21 dyz Ryd( 6d) 0.00000 8.83815 910 S 21 dx2y2 Ryd( 3d) 0.00225 0.97518 911 S 21 dx2y2 Ryd( 4d) 0.00039 1.92928 912 S 21 dx2y2 Ryd( 5d) 0.00001 4.11071 913 S 21 dx2y2 Ryd( 6d) 0.00000 8.77081 914 S 21 dz2 Ryd( 3d) 0.00195 0.96752 915 S 21 dz2 Ryd( 4d) 0.00014 1.88029 916 S 21 dz2 Ryd( 5d) 0.00000 3.98564 917 S 21 dz2 Ryd( 6d) 0.00000 8.76046 918 S 21 f(0) Ryd( 4f) 0.00011 1.91266 919 S 21 f(0) Ryd( 5f) 0.00001 3.83381 920 S 21 f(c1) Ryd( 4f) 0.00020 1.97119 921 S 21 f(c1) Ryd( 5f) 0.00001 4.03422 922 S 21 f(s1) Ryd( 4f) 0.00010 1.75910 923 S 21 f(s1) Ryd( 5f) 0.00000 3.85403 924 S 21 f(c2) Ryd( 4f) 0.00009 1.81662 925 S 21 f(c2) Ryd( 5f) 0.00001 3.79280 926 S 21 f(s2) Ryd( 4f) 0.00019 1.88166 927 S 21 f(s2) Ryd( 5f) 0.00001 3.80333 928 S 21 f(c3) Ryd( 4f) 0.00015 2.11146 929 S 21 f(c3) Ryd( 5f) 0.00002 3.81842 930 S 21 f(s3) Ryd( 4f) 0.00038 2.21248 931 S 21 f(s3) Ryd( 5f) 0.00001 4.28776 932 S 21 g(0) Ryd( 5g) 0.00001 3.67226 933 S 21 g(c1) Ryd( 5g) 0.00001 3.70701 934 S 21 g(s1) Ryd( 5g) 0.00000 3.59093 935 S 21 g(c2) Ryd( 5g) 0.00001 3.62662 936 S 21 g(s2) Ryd( 5g) 0.00001 3.72116 937 S 21 g(c3) Ryd( 5g) 0.00000 3.64069 938 S 21 g(s3) Ryd( 5g) 0.00001 3.74444 939 S 21 g(c4) Ryd( 5g) 0.00001 3.87338 940 S 21 g(s4) Ryd( 5g) 0.00002 3.85603 941 S 22 s Cor( 1s) 1.00000 -87.75133 942 S 22 s Cor( 2s) 1.00000 -8.60871 943 S 22 s Val( 3s) 0.88441 -0.44103 944 S 22 s Ryd( 4s) 0.00322 2.34053 945 S 22 s Ryd( 5s) 0.00003 6.82778 946 S 22 s Ryd( 6s) 0.00000 9.83718 947 S 22 s Ryd( 7s) 0.00000 41.11632 948 S 22 s Ryd( 8s) 0.00000 176.29981 949 S 22 s Ryd( 9s) 0.00000 321.67154 950 S 22 px Cor( 2p) 1.00000 -5.76725 951 S 22 px Val( 3p) 0.62182 -0.09139 952 S 22 px Ryd( 4p) 0.00262 0.83424 953 S 22 px Ryd( 5p) 0.00013 1.48320 954 S 22 px Ryd( 6p) 0.00000 5.75506 955 S 22 px Ryd( 7p) 0.00000 28.28143 956 S 22 py Cor( 2p) 1.00000 -5.76128 957 S 22 py Val( 3p) 0.83803 -0.10911 958 S 22 py Ryd( 4p) 0.00230 0.54310 959 S 22 py Ryd( 5p) 0.00009 1.46252 960 S 22 py Ryd( 6p) 0.00000 5.15395 961 S 22 py Ryd( 7p) 0.00000 28.57506 962 S 22 pz Cor( 2p) 1.00000 -5.76714 963 S 22 pz Val( 3p) 0.64313 -0.10020 964 S 22 pz Ryd( 4p) 0.00234 0.81173 965 S 22 pz Ryd( 5p) 0.00015 1.44646 966 S 22 pz Ryd( 6p) 0.00001 6.72742 967 S 22 pz Ryd( 7p) 0.00000 28.37274 968 S 22 dxy Ryd( 3d) 0.00567 0.78806 969 S 22 dxy Ryd( 4d) 0.00004 2.02526 970 S 22 dxy Ryd( 5d) 0.00001 4.12935 971 S 22 dxy Ryd( 6d) 0.00000 8.50377 972 S 22 dxz Ryd( 3d) 0.00638 0.80131 973 S 22 dxz Ryd( 4d) 0.00006 2.16087 974 S 22 dxz Ryd( 5d) 0.00001 4.13563 975 S 22 dxz Ryd( 6d) 0.00000 8.68958 976 S 22 dyz Ryd( 3d) 0.00346 0.69752 977 S 22 dyz Ryd( 4d) 0.00003 1.81466 978 S 22 dyz Ryd( 5d) 0.00000 3.78010 979 S 22 dyz Ryd( 6d) 0.00000 8.76884 980 S 22 dx2y2 Ryd( 3d) 0.00512 0.68415 981 S 22 dx2y2 Ryd( 4d) 0.00004 1.76614 982 S 22 dx2y2 Ryd( 5d) 0.00001 3.88932 983 S 22 dx2y2 Ryd( 6d) 0.00000 8.71387 984 S 22 dz2 Ryd( 3d) 0.00640 0.83292 985 S 22 dz2 Ryd( 4d) 0.00007 2.29086 986 S 22 dz2 Ryd( 5d) 0.00001 4.17627 987 S 22 dz2 Ryd( 6d) 0.00000 8.41593 988 S 22 f(0) Ryd( 4f) 0.00017 1.83327 989 S 22 f(0) Ryd( 5f) 0.00002 3.88482 990 S 22 f(c1) Ryd( 4f) 0.00049 1.95337 991 S 22 f(c1) Ryd( 5f) 0.00001 4.19218 992 S 22 f(s1) Ryd( 4f) 0.00021 1.72454 993 S 22 f(s1) Ryd( 5f) 0.00001 3.83468 994 S 22 f(c2) Ryd( 4f) 0.00012 1.71219 995 S 22 f(c2) Ryd( 5f) 0.00001 3.77594 996 S 22 f(s2) Ryd( 4f) 0.00024 1.76053 997 S 22 f(s2) Ryd( 5f) 0.00001 3.85908 998 S 22 f(c3) Ryd( 4f) 0.00021 1.73742 999 S 22 f(c3) Ryd( 5f) 0.00002 3.77779 1000 S 22 f(s3) Ryd( 4f) 0.00056 1.82460 1001 S 22 f(s3) Ryd( 5f) 0.00001 4.01041 1002 S 22 g(0) Ryd( 5g) 0.00002 3.77294 1003 S 22 g(c1) Ryd( 5g) 0.00004 3.78667 1004 S 22 g(s1) Ryd( 5g) 0.00001 3.66790 1005 S 22 g(c2) Ryd( 5g) 0.00002 3.66072 1006 S 22 g(s2) Ryd( 5g) 0.00003 3.74480 1007 S 22 g(c3) Ryd( 5g) 0.00000 3.58581 1008 S 22 g(s3) Ryd( 5g) 0.00002 3.63750 1009 S 22 g(c4) Ryd( 5g) 0.00003 3.70388 1010 S 22 g(s4) Ryd( 5g) 0.00004 3.71775 1011 S 23 s Cor( 1s) 1.00000 -87.78174 1012 S 23 s Cor( 2s) 1.00000 -8.58741 1013 S 23 s Val( 3s) 0.89598 -0.45258 1014 S 23 s Ryd( 4s) 0.00374 1.68054 1015 S 23 s Ryd( 5s) 0.00002 6.46484 1016 S 23 s Ryd( 6s) 0.00000 10.96395 1017 S 23 s Ryd( 7s) 0.00000 43.89426 1018 S 23 s Ryd( 8s) 0.00000 191.75900 1019 S 23 s Ryd( 9s) 0.00000 304.33547 1020 S 23 px Cor( 2p) 1.00000 -5.76794 1021 S 23 px Val( 3p) 0.78996 -0.11725 1022 S 23 px Ryd( 4p) 0.00124 0.72327 1023 S 23 px Ryd( 5p) 0.00014 1.39388 1024 S 23 px Ryd( 6p) 0.00000 5.42716 1025 S 23 px Ryd( 7p) 0.00000 28.44476 1026 S 23 py Cor( 2p) 1.00000 -5.76688 1027 S 23 py Val( 3p) 0.80856 -0.11492 1028 S 23 py Ryd( 4p) 0.00135 0.55340 1029 S 23 py Ryd( 5p) 0.00012 1.44749 1030 S 23 py Ryd( 6p) 0.00000 5.14703 1031 S 23 py Ryd( 7p) 0.00000 28.46736 1032 S 23 pz Cor( 2p) 1.00000 -5.77507 1033 S 23 pz Val( 3p) 0.50385 -0.08708 1034 S 23 pz Ryd( 4p) 0.00321 0.69182 1035 S 23 pz Ryd( 5p) 0.00010 1.55439 1036 S 23 pz Ryd( 6p) 0.00000 6.46530 1037 S 23 pz Ryd( 7p) 0.00000 28.08728 1038 S 23 dxy Ryd( 3d) 0.00371 0.65273 1039 S 23 dxy Ryd( 4d) 0.00004 1.86337 1040 S 23 dxy Ryd( 5d) 0.00000 3.77401 1041 S 23 dxy Ryd( 6d) 0.00000 8.71062 1042 S 23 dxz Ryd( 3d) 0.00616 0.83540 1043 S 23 dxz Ryd( 4d) 0.00011 2.32820 1044 S 23 dxz Ryd( 5d) 0.00001 4.16796 1045 S 23 dxz Ryd( 6d) 0.00000 8.35932 1046 S 23 dyz Ryd( 3d) 0.00656 0.81331 1047 S 23 dyz Ryd( 4d) 0.00004 2.07788 1048 S 23 dyz Ryd( 5d) 0.00001 4.01814 1049 S 23 dyz Ryd( 6d) 0.00000 8.47575 1050 S 23 dx2y2 Ryd( 3d) 0.00229 0.62985 1051 S 23 dx2y2 Ryd( 4d) 0.00003 1.65718 1052 S 23 dx2y2 Ryd( 5d) 0.00001 3.73347 1053 S 23 dx2y2 Ryd( 6d) 0.00000 8.72569 1054 S 23 dz2 Ryd( 3d) 0.00818 0.76825 1055 S 23 dz2 Ryd( 4d) 0.00004 1.92177 1056 S 23 dz2 Ryd( 5d) 0.00001 4.14975 1057 S 23 dz2 Ryd( 6d) 0.00000 8.62603 1058 S 23 f(0) Ryd( 4f) 0.00028 1.89767 1059 S 23 f(0) Ryd( 5f) 0.00001 3.85681 1060 S 23 f(c1) Ryd( 4f) 0.00048 1.94196 1061 S 23 f(c1) Ryd( 5f) 0.00002 4.16457 1062 S 23 f(s1) Ryd( 4f) 0.00043 1.91174 1063 S 23 f(s1) Ryd( 5f) 0.00001 3.98508 1064 S 23 f(c2) Ryd( 4f) 0.00007 1.71701 1065 S 23 f(c2) Ryd( 5f) 0.00001 3.80591 1066 S 23 f(s2) Ryd( 4f) 0.00039 1.85392 1067 S 23 f(s2) Ryd( 5f) 0.00001 4.00560 1068 S 23 f(c3) Ryd( 4f) 0.00011 1.53050 1069 S 23 f(c3) Ryd( 5f) 0.00000 3.69000 1070 S 23 f(s3) Ryd( 4f) 0.00013 1.50787 1071 S 23 f(s3) Ryd( 5f) 0.00000 3.67661 1072 S 23 g(0) Ryd( 5g) 0.00003 3.73103 1073 S 23 g(c1) Ryd( 5g) 0.00004 3.77563 1074 S 23 g(s1) Ryd( 5g) 0.00002 3.74405 1075 S 23 g(c2) Ryd( 5g) 0.00002 3.76262 1076 S 23 g(s2) Ryd( 5g) 0.00004 3.77470 1077 S 23 g(c3) Ryd( 5g) 0.00001 3.67625 1078 S 23 g(s3) Ryd( 5g) 0.00001 3.67746 1079 S 23 g(c4) Ryd( 5g) 0.00000 3.46325 1080 S 23 g(s4) Ryd( 5g) 0.00000 3.45863 1081 S 24 s Cor( 1s) 1.00000 -87.75991 1082 S 24 s Cor( 2s) 1.00000 -8.60151 1083 S 24 s Val( 3s) 0.88449 -0.44139 1084 S 24 s Ryd( 4s) 0.00310 2.37495 1085 S 24 s Ryd( 5s) 0.00003 6.83605 1086 S 24 s Ryd( 6s) 0.00000 10.99924 1087 S 24 s Ryd( 7s) 0.00000 39.99454 1088 S 24 s Ryd( 8s) 0.00000 188.42829 1089 S 24 s Ryd( 9s) 0.00000 309.41632 1090 S 24 px Cor( 2p) 1.00000 -5.76779 1091 S 24 px Val( 3p) 0.62450 -0.09178 1092 S 24 px Ryd( 4p) 0.00260 0.86311 1093 S 24 px Ryd( 5p) 0.00013 1.48685 1094 S 24 px Ryd( 6p) 0.00000 5.73646 1095 S 24 px Ryd( 7p) 0.00000 28.25572 1096 S 24 py Cor( 2p) 1.00000 -5.76431 1097 S 24 py Val( 3p) 0.75861 -0.10820 1098 S 24 py Ryd( 4p) 0.00134 0.61251 1099 S 24 py Ryd( 5p) 0.00012 1.45409 1100 S 24 py Ryd( 6p) 0.00000 6.35344 1101 S 24 py Ryd( 7p) 0.00000 28.45833 1102 S 24 pz Cor( 2p) 1.00000 -5.76553 1103 S 24 pz Val( 3p) 0.71860 -0.10194 1104 S 24 pz Ryd( 4p) 0.00326 0.75720 1105 S 24 pz Ryd( 5p) 0.00013 1.44797 1106 S 24 pz Ryd( 6p) 0.00000 5.60029 1107 S 24 pz Ryd( 7p) 0.00000 28.44027 1108 S 24 dxy Ryd( 3d) 0.00673 0.82089 1109 S 24 dxy Ryd( 4d) 0.00005 2.12770 1110 S 24 dxy Ryd( 5d) 0.00001 4.13005 1111 S 24 dxy Ryd( 6d) 0.00000 8.43582 1112 S 24 dxz Ryd( 3d) 0.00538 0.79537 1113 S 24 dxz Ryd( 4d) 0.00006 2.09265 1114 S 24 dxz Ryd( 5d) 0.00001 4.15231 1115 S 24 dxz Ryd( 6d) 0.00000 8.74687 1116 S 24 dyz Ryd( 3d) 0.00502 0.77131 1117 S 24 dyz Ryd( 4d) 0.00006 2.07080 1118 S 24 dyz Ryd( 5d) 0.00000 3.99549 1119 S 24 dyz Ryd( 6d) 0.00000 8.62931 1120 S 24 dx2y2 Ryd( 3d) 0.00569 0.70992 1121 S 24 dx2y2 Ryd( 4d) 0.00004 1.88448 1122 S 24 dx2y2 Ryd( 5d) 0.00001 3.85897 1123 S 24 dx2y2 Ryd( 6d) 0.00000 8.69442 1124 S 24 dz2 Ryd( 3d) 0.00404 0.72221 1125 S 24 dz2 Ryd( 4d) 0.00006 1.89117 1126 S 24 dz2 Ryd( 5d) 0.00000 3.90482 1127 S 24 dz2 Ryd( 6d) 0.00000 8.63470 1128 S 24 f(0) Ryd( 4f) 0.00015 1.75726 1129 S 24 f(0) Ryd( 5f) 0.00001 3.81584 1130 S 24 f(c1) Ryd( 4f) 0.00034 1.81078 1131 S 24 f(c1) Ryd( 5f) 0.00001 3.93884 1132 S 24 f(s1) Ryd( 4f) 0.00027 1.71279 1133 S 24 f(s1) Ryd( 5f) 0.00001 3.88601 1134 S 24 f(c2) Ryd( 4f) 0.00014 1.79282 1135 S 24 f(c2) Ryd( 5f) 0.00001 3.81175 1136 S 24 f(s2) Ryd( 4f) 0.00045 1.90878 1137 S 24 f(s2) Ryd( 5f) 0.00002 4.09129 1138 S 24 f(c3) Ryd( 4f) 0.00016 1.75311 1139 S 24 f(c3) Ryd( 5f) 0.00001 3.80017 1140 S 24 f(s3) Ryd( 4f) 0.00047 1.82796 1141 S 24 f(s3) Ryd( 5f) 0.00001 3.99563 1142 S 24 g(0) Ryd( 5g) 0.00002 3.66482 1143 S 24 g(c1) Ryd( 5g) 0.00002 3.71038 1144 S 24 g(s1) Ryd( 5g) 0.00001 3.67562 1145 S 24 g(c2) Ryd( 5g) 0.00001 3.64051 1146 S 24 g(s2) Ryd( 5g) 0.00004 3.74549 1147 S 24 g(c3) Ryd( 5g) 0.00002 3.67447 1148 S 24 g(s3) Ryd( 5g) 0.00003 3.76379 1149 S 24 g(c4) Ryd( 5g) 0.00003 3.69107 1150 S 24 g(s4) Ryd( 5g) 0.00004 3.70025 1151 S 25 s Cor( 1s) 1.00000 -87.40200 1152 S 25 s Cor( 2s) 1.00000 -8.84232 1153 S 25 s Val( 3s) 0.88246 -0.39498 1154 S 25 s Ryd( 4s) 0.00171 2.52959 1155 S 25 s Ryd( 6s) 0.00003 8.83366 1156 S 25 s Ryd( 5s) 0.00000 7.99953 1157 S 25 s Ryd( 7s) 0.00000 38.30806 1158 S 25 s Ryd( 9s) 0.00000 336.54513 1159 S 25 s Ryd( 8s) 0.00000 167.20056 1160 S 25 px Cor( 2p) 1.00000 -5.71357 1161 S 25 px Val( 3p) 0.59365 -0.06173 1162 S 25 px Ryd( 4p) 0.00124 1.28928 1163 S 25 px Ryd( 5p) 0.00010 2.23914 1164 S 25 px Ryd( 6p) 0.00001 5.44391 1165 S 25 px Ryd( 7p) 0.00000 28.31826 1166 S 25 py Cor( 2p) 1.00000 -5.70710 1167 S 25 py Val( 3p) 0.82422 -0.06869 1168 S 25 py Ryd( 4p) 0.00052 0.94414 1169 S 25 py Ryd( 5p) 0.00007 1.99701 1170 S 25 py Ryd( 6p) 0.00001 4.65893 1171 S 25 py Ryd( 7p) 0.00000 28.45101 1172 S 25 pz Cor( 2p) 1.00000 -5.70605 1173 S 25 pz Val( 3p) 0.89186 -0.08745 1174 S 25 pz Ryd( 4p) 0.00055 1.08745 1175 S 25 pz Ryd( 5p) 0.00010 1.81861 1176 S 25 pz Ryd( 6p) 0.00001 5.73019 1177 S 25 pz Ryd( 7p) 0.00000 28.42415 1178 S 25 dxy Ryd( 3d) 0.00323 1.03820 1179 S 25 dxy Ryd( 4d) 0.00021 1.91097 1180 S 25 dxy Ryd( 5d) 0.00000 4.31587 1181 S 25 dxy Ryd( 6d) 0.00000 8.66190 1182 S 25 dxz Ryd( 3d) 0.00447 0.83594 1183 S 25 dxz Ryd( 4d) 0.00026 1.81478 1184 S 25 dxz Ryd( 5d) 0.00001 4.04386 1185 S 25 dxz Ryd( 6d) 0.00000 8.73696 1186 S 25 dyz Ryd( 3d) 0.00225 0.86141 1187 S 25 dyz Ryd( 4d) 0.00013 1.74949 1188 S 25 dyz Ryd( 5d) 0.00000 3.81777 1189 S 25 dyz Ryd( 6d) 0.00000 8.83485 1190 S 25 dx2y2 Ryd( 3d) 0.00220 0.86849 1191 S 25 dx2y2 Ryd( 4d) 0.00033 1.77895 1192 S 25 dx2y2 Ryd( 5d) 0.00001 4.05412 1193 S 25 dx2y2 Ryd( 6d) 0.00000 8.78947 1194 S 25 dz2 Ryd( 3d) 0.00249 0.92439 1195 S 25 dz2 Ryd( 4d) 0.00025 1.80076 1196 S 25 dz2 Ryd( 5d) 0.00000 3.92648 1197 S 25 dz2 Ryd( 6d) 0.00000 8.77141 1198 S 25 f(0) Ryd( 4f) 0.00006 1.88267 1199 S 25 f(0) Ryd( 5f) 0.00001 3.90911 1200 S 25 f(c1) Ryd( 4f) 0.00012 2.04098 1201 S 25 f(c1) Ryd( 5f) 0.00001 3.96926 1202 S 25 f(s1) Ryd( 4f) 0.00008 1.79210 1203 S 25 f(s1) Ryd( 5f) 0.00000 3.82346 1204 S 25 f(c2) Ryd( 4f) 0.00014 1.86071 1205 S 25 f(c2) Ryd( 5f) 0.00001 3.86899 1206 S 25 f(s2) Ryd( 4f) 0.00017 1.90162 1207 S 25 f(s2) Ryd( 5f) 0.00001 3.88696 1208 S 25 f(c3) Ryd( 4f) 0.00022 2.01511 1209 S 25 f(c3) Ryd( 5f) 0.00002 3.81209 1210 S 25 f(s3) Ryd( 4f) 0.00038 2.17554 1211 S 25 f(s3) Ryd( 5f) 0.00001 4.18154 1212 S 25 g(0) Ryd( 5g) 0.00001 3.67930 1213 S 25 g(c1) Ryd( 5g) 0.00001 3.71068 1214 S 25 g(s1) Ryd( 5g) 0.00000 3.60243 1215 S 25 g(c2) Ryd( 5g) 0.00001 3.66856 1216 S 25 g(s2) Ryd( 5g) 0.00001 3.71566 1217 S 25 g(c3) Ryd( 5g) 0.00000 3.69244 1218 S 25 g(s3) Ryd( 5g) 0.00001 3.71373 1219 S 25 g(c4) Ryd( 5g) 0.00001 3.84058 1220 S 25 g(s4) Ryd( 5g) 0.00002 3.82238 1221 Sc 26 s Cor( 2s) 1.00000 -42.90610 1222 Sc 26 s Cor( 1s) 1.00000 -135.68478 1223 Sc 26 s Cor( 3s) 0.99999 -2.06359 1224 Sc 26 s Val( 4s) 0.11212 0.44971 1225 Sc 26 s Ryd( 5s) 0.00239 1.09955 1226 Sc 26 s Ryd( 6s) 0.00022 2.94133 1227 Sc 26 s Ryd( 7s) 0.00001 3.04024 1228 Sc 26 s Ryd( 8s) 0.00000 11.45182 1229 Sc 26 s Ryd( 9s) 0.00000 24.29741 1230 Sc 26 s Ryd(11s) 0.00000 328.88751 1231 Sc 26 s Ryd(10s) 0.00000 206.72033 1232 Sc 26 px Cor( 2p) 1.00000 -14.34303 1233 Sc 26 px Cor( 3p) 0.99993 -1.18502 1234 Sc 26 px Ryd( 6p) 0.00168 2.12735 1235 Sc 26 px Ryd( 5p) 0.00046 2.00486 1236 Sc 26 px Ryd( 4p) 0.00012 1.51527 1237 Sc 26 px Ryd( 7p) 0.00010 2.15475 1238 Sc 26 py Cor( 2p) 1.00000 -14.34267 1239 Sc 26 py Cor( 3p) 0.99992 -1.18581 1240 Sc 26 py Ryd( 6p) 0.00028 2.23760 1241 Sc 26 py Ryd( 5p) 0.00023 1.97523 1242 Sc 26 py Ryd( 4p) 0.00007 1.69365 1243 Sc 26 py Ryd( 7p) 0.00009 2.35644 1244 Sc 26 pz Cor( 2p) 1.00000 -14.34316 1245 Sc 26 pz Cor( 3p) 0.99993 -1.18446 1246 Sc 26 pz Ryd( 6p) 0.00147 1.25387 1247 Sc 26 pz Ryd( 5p) 0.00043 1.56169 1248 Sc 26 pz Ryd( 4p) 0.00012 1.32201 1249 Sc 26 pz Ryd( 7p) 0.00008 1.66124 1250 Sc 26 dxy Val( 3d) 0.16211 0.17654 1251 Sc 26 dxy Ryd( 4d) 0.01919 0.46909 1252 Sc 26 dxy Ryd( 5d) 0.00014 1.54912 1253 Sc 26 dxy Ryd( 6d) 0.00002 2.56104 1254 Sc 26 dxy Ryd( 7d) 0.00000 3.99109 1255 Sc 26 dxz Val( 3d) 0.18300 0.17217 1256 Sc 26 dxz Ryd( 4d) 0.02343 0.36822 1257 Sc 26 dxz Ryd( 5d) 0.00018 1.19030 1258 Sc 26 dxz Ryd( 6d) 0.00002 2.25357 1259 Sc 26 dxz Ryd( 7d) 0.00000 3.43350 1260 Sc 26 dyz Val( 3d) 0.16370 0.21166 1261 Sc 26 dyz Ryd( 4d) 0.01950 0.44177 1262 Sc 26 dyz Ryd( 5d) 0.00016 1.19650 1263 Sc 26 dyz Ryd( 6d) 0.00002 2.27880 1264 Sc 26 dyz Ryd( 7d) 0.00000 3.70545 1265 Sc 26 dx2y2 Val( 3d) 0.14988 0.17396 1266 Sc 26 dx2y2 Ryd( 4d) 0.01600 0.50314 1267 Sc 26 dx2y2 Ryd( 5d) 0.00013 1.90998 1268 Sc 26 dx2y2 Ryd( 6d) 0.00003 2.48423 1269 Sc 26 dx2y2 Ryd( 7d) 0.00000 3.95129 1270 Sc 26 dz2 Val( 3d) 0.14142 0.14516 1271 Sc 26 dz2 Ryd( 4d) 0.00965 0.35526 1272 Sc 26 dz2 Ryd( 5d) 0.00040 1.16538 1273 Sc 26 dz2 Ryd( 6d) 0.00004 2.80577 1274 Sc 26 dz2 Ryd( 7d) 0.00000 3.35597 1275 Sc 26 f(0) Ryd( 4f) 0.00076 1.37680 1276 Sc 26 f(0) Ryd( 5f) 0.00003 2.72654 1277 Sc 26 f(0) Ryd( 6f) 0.00001 4.56656 1278 Sc 26 f(c1) Ryd( 4f) 0.00046 1.66020 1279 Sc 26 f(c1) Ryd( 5f) 0.00004 3.13371 1280 Sc 26 f(c1) Ryd( 6f) 0.00001 4.64180 1281 Sc 26 f(s1) Ryd( 4f) 0.00068 1.69866 1282 Sc 26 f(s1) Ryd( 5f) 0.00002 3.08475 1283 Sc 26 f(s1) Ryd( 6f) 0.00000 4.71234 1284 Sc 26 f(c2) Ryd( 4f) 0.00097 2.26969 1285 Sc 26 f(c2) Ryd( 5f) 0.00002 3.79666 1286 Sc 26 f(c2) Ryd( 6f) 0.00001 4.74317 1287 Sc 26 f(s2) Ryd( 4f) 0.00030 2.30326 1288 Sc 26 f(s2) Ryd( 5f) 0.00004 3.69041 1289 Sc 26 f(s2) Ryd( 6f) 0.00000 4.73236 1290 Sc 26 f(c3) Ryd( 4f) 0.00043 3.13431 1291 Sc 26 f(c3) Ryd( 5f) 0.00002 3.45801 1292 Sc 26 f(c3) Ryd( 6f) 0.00001 4.68419 1293 Sc 26 f(s3) Ryd( 4f) 0.00046 2.56274 1294 Sc 26 f(s3) Ryd( 5f) 0.00002 4.04221 1295 Sc 26 f(s3) Ryd( 6f) 0.00001 4.70499 1296 Sc 26 g(0) Ryd( 5g) 0.00027 1.83383 1297 Sc 26 g(0) Ryd( 6g) 0.00001 3.70808 1298 Sc 26 g(c1) Ryd( 5g) 0.00053 2.09988 1299 Sc 26 g(c1) Ryd( 6g) 0.00000 3.64595 1300 Sc 26 g(s1) Ryd( 5g) 0.00024 2.22564 1301 Sc 26 g(s1) Ryd( 6g) 0.00001 3.66605 1302 Sc 26 g(c2) Ryd( 5g) 0.00038 2.29783 1303 Sc 26 g(c2) Ryd( 6g) 0.00001 3.83784 1304 Sc 26 g(s2) Ryd( 5g) 0.00032 2.37008 1305 Sc 26 g(s2) Ryd( 6g) 0.00001 4.00097 1306 Sc 26 g(c3) Ryd( 5g) 0.00030 2.63289 1307 Sc 26 g(c3) Ryd( 6g) 0.00000 3.92383 1308 Sc 26 g(s3) Ryd( 5g) 0.00021 2.45202 1309 Sc 26 g(s3) Ryd( 6g) 0.00001 3.85312 1310 Sc 26 g(c4) Ryd( 5g) 0.00035 2.34711 1311 Sc 26 g(c4) Ryd( 6g) 0.00001 3.88354 1312 Sc 26 g(s4) Ryd( 5g) 0.00013 2.55503 1313 Sc 26 g(s4) Ryd( 6g) 0.00000 3.90895 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.15919 0.99999 2.14580 0.01340 3.15919 C 2 -0.17062 0.99999 2.15745 0.01318 3.17062 C 3 -0.17619 0.99999 2.16290 0.01331 3.17619 C 4 -0.15340 0.99999 2.13994 0.01347 3.15340 C 5 -0.17077 0.99999 2.15683 0.01395 3.17077 C 6 -0.15954 0.99999 2.14572 0.01383 3.15954 C 7 -0.15557 0.99999 2.14234 0.01324 3.15557 C 8 -0.16844 0.99999 2.15487 0.01359 3.16844 C 9 -0.16827 0.99999 2.15471 0.01357 3.16827 C 10 -0.16006 0.99999 2.14674 0.01333 3.16006 H 11 0.11878 0.00000 0.37975 0.00146 0.38122 H 12 0.11080 0.00000 0.38779 0.00141 0.38920 H 13 0.11164 0.00000 0.38695 0.00141 0.38836 H 14 0.11954 0.00000 0.37885 0.00161 0.38046 H 15 0.12645 0.00000 0.37143 0.00212 0.37355 H 16 0.12415 0.00000 0.37435 0.00150 0.37585 H 17 0.12000 0.00000 0.37853 0.00147 0.38000 H 18 0.11304 0.00000 0.38548 0.00148 0.38696 H 19 0.11293 0.00000 0.38557 0.00150 0.38707 H 20 0.11963 0.00000 0.37896 0.00141 0.38037 S 21 -0.21367 4.99999 3.19239 0.02129 8.21367 S 22 -0.02786 4.99999 2.98739 0.04048 8.02786 S 23 -0.03761 4.99999 2.99835 0.03927 8.03761 S 24 -0.02634 4.99999 2.98619 0.04016 8.02634 S 25 -0.21367 4.99999 3.19219 0.02149 8.21367 Sc 26 0.48423 8.99978 0.91223 0.10376 10.01577 ==================================================================== * Total * -0.50000 43.99960 41.58370 0.41670 86.00000 Natural Population --------------------------------------------------------- Core 43.99960 ( 99.9991% of 44) Valence 41.58370 ( 99.0088% of 42) Natural Minimal Basis 85.58330 ( 99.5155% of 86) Natural Rydberg Basis 0.41670 ( 0.4845% of 86) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 2 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 3 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 4 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 5 [core]2s( 0.49)2p( 1.66)3p( 0.01) C 6 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 7 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 8 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 9 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 10 [core]2s( 0.49)2p( 1.66)3p( 0.01) H 11 1s( 0.38) H 12 1s( 0.39) H 13 1s( 0.39) H 14 1s( 0.38) H 15 1s( 0.37) H 16 1s( 0.37) H 17 1s( 0.38) H 18 1s( 0.39) H 19 1s( 0.39) H 20 1s( 0.38) S 21 [core]3s( 0.88)3p( 2.31)3d( 0.01) S 22 [core]3s( 0.88)3p( 2.10)3d( 0.03)4p( 0.01) S 23 [core]3s( 0.90)3p( 2.10)3d( 0.03)4p( 0.01) S 24 [core]3s( 0.88)3p( 2.10)3d( 0.03)4p( 0.01) S 25 [core]3s( 0.88)3p( 2.31)3d( 0.01) Sc 26 [core]4s( 0.11)3d( 0.80)4d( 0.09) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.6836 0.0292 0.0216 0.6743 0.0012 0.0006 0.0007 0.0022 2. C 0.6836 0.0000 0.6625 0.0280 0.0256 0.0008 0.0006 0.0043 0.0005 3. C 0.0292 0.6625 0.0000 0.6798 0.0250 0.0009 0.0016 0.0012 0.0041 4. C 0.0216 0.0280 0.6798 0.0000 0.6819 0.0012 0.0015 0.0016 0.0006 5. C 0.6743 0.0256 0.0250 0.6819 0.0000 0.0026 0.0012 0.0009 0.0009 6. C 0.0012 0.0008 0.0009 0.0012 0.0026 0.0000 0.6803 0.0245 0.0255 7. C 0.0006 0.0006 0.0016 0.0015 0.0012 0.6803 0.0000 0.6756 0.0266 8. C 0.0007 0.0043 0.0012 0.0016 0.0009 0.0245 0.6756 0.0000 0.6678 9. C 0.0022 0.0005 0.0041 0.0006 0.0009 0.0255 0.0266 0.6678 0.0000 10. C 0.0012 0.0017 0.0007 0.0007 0.0013 0.6778 0.0210 0.0273 0.6759 11. H 0.4509 0.0012 0.0048 0.0048 0.0014 0.0001 0.0000 0.0000 0.0000 12. H 0.0014 0.4539 0.0012 0.0047 0.0050 0.0001 0.0001 0.0001 0.0001 13. H 0.0047 0.0012 0.4535 0.0015 0.0050 0.0001 0.0001 0.0001 0.0001 14. H 0.0048 0.0047 0.0012 0.4505 0.0014 0.0001 0.0002 0.0001 0.0000 15. H 0.0014 0.0048 0.0048 0.0015 0.4446 0.0001 0.0001 0.0001 0.0001 16. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.4488 0.0014 0.0047 0.0047 17. H 0.0000 0.0000 0.0001 0.0002 0.0001 0.0014 0.4492 0.0012 0.0047 18. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.0049 0.0014 0.4531 0.0012 19. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.0049 0.0048 0.0012 0.4529 20. H 0.0002 0.0000 0.0000 0.0000 0.0001 0.0014 0.0047 0.0047 0.0012 21. S 0.0049 0.0024 0.0058 0.0028 0.0032 0.0030 0.0112 0.0020 0.0029 22. S 0.0021 0.0007 0.0007 0.0008 0.0030 0.0025 0.0038 0.0009 0.0038 23. S 0.0003 0.0004 0.0004 0.0004 0.0009 0.0009 0.0004 0.0003 0.0004 24. S 0.0009 0.0009 0.0005 0.0022 0.0026 0.0024 0.0007 0.0041 0.0007 25. S 0.0035 0.0047 0.0019 0.0065 0.0034 0.0036 0.0029 0.0027 0.0023 26. Sc 0.0854 0.0902 0.0915 0.0834 0.0855 0.0855 0.0858 0.0949 0.0949 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0012 0.4509 0.0014 0.0047 0.0048 0.0014 0.0001 0.0000 0.0001 2. C 0.0017 0.0012 0.4539 0.0012 0.0047 0.0048 0.0001 0.0000 0.0001 3. C 0.0007 0.0048 0.0012 0.4535 0.0012 0.0048 0.0001 0.0001 0.0001 4. C 0.0007 0.0048 0.0047 0.0015 0.4505 0.0015 0.0001 0.0002 0.0001 5. C 0.0013 0.0014 0.0050 0.0050 0.0014 0.4446 0.0001 0.0001 0.0001 6. C 0.6778 0.0001 0.0001 0.0001 0.0001 0.0001 0.4488 0.0014 0.0049 7. C 0.0210 0.0000 0.0001 0.0001 0.0002 0.0001 0.0014 0.4492 0.0014 8. C 0.0273 0.0000 0.0001 0.0001 0.0001 0.0001 0.0047 0.0012 0.4531 9. C 0.6759 0.0000 0.0001 0.0001 0.0000 0.0001 0.0047 0.0047 0.0012 10. C 0.0000 0.0002 0.0001 0.0001 0.0000 0.0001 0.0013 0.0047 0.0048 11. H 0.0002 0.0000 0.0007 0.0003 0.0002 0.0006 0.0000 0.0000 0.0000 12. H 0.0001 0.0007 0.0000 0.0006 0.0002 0.0003 0.0000 0.0000 0.0001 13. H 0.0001 0.0003 0.0006 0.0000 0.0007 0.0003 0.0000 0.0000 0.0000 14. H 0.0000 0.0002 0.0002 0.0007 0.0000 0.0007 0.0000 0.0000 0.0000 15. H 0.0001 0.0006 0.0003 0.0003 0.0007 0.0000 0.0000 0.0000 0.0000 16. H 0.0013 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0003 17. H 0.0047 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0007 18. H 0.0048 0.0000 0.0001 0.0000 0.0000 0.0000 0.0003 0.0007 0.0000 19. H 0.0014 0.0000 0.0000 0.0001 0.0000 0.0000 0.0003 0.0002 0.0007 20. H 0.4493 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 0.0002 21. S 0.0029 0.0004 0.0001 0.0008 0.0001 0.0010 0.0002 0.0014 0.0001 22. S 0.0009 0.0003 0.0000 0.0001 0.0002 0.0019 0.0001 0.0009 0.0000 23. S 0.0004 0.0001 0.0000 0.0000 0.0002 0.0003 0.0001 0.0000 0.0000 24. S 0.0035 0.0001 0.0001 0.0000 0.0005 0.0010 0.0001 0.0000 0.0001 25. S 0.0100 0.0002 0.0008 0.0001 0.0006 0.0005 0.0002 0.0003 0.0008 26. Sc 0.0879 0.0068 0.0072 0.0072 0.0065 0.0065 0.0066 0.0066 0.0071 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0001 0.0002 0.0049 0.0021 0.0003 0.0009 0.0035 0.0854 2. C 0.0001 0.0000 0.0024 0.0007 0.0004 0.0009 0.0047 0.0902 3. C 0.0001 0.0000 0.0058 0.0007 0.0004 0.0005 0.0019 0.0915 4. C 0.0001 0.0000 0.0028 0.0008 0.0004 0.0022 0.0065 0.0834 5. C 0.0001 0.0001 0.0032 0.0030 0.0009 0.0026 0.0034 0.0855 6. C 0.0049 0.0014 0.0030 0.0025 0.0009 0.0024 0.0036 0.0855 7. C 0.0048 0.0047 0.0112 0.0038 0.0004 0.0007 0.0029 0.0858 8. C 0.0012 0.0047 0.0020 0.0009 0.0003 0.0041 0.0027 0.0949 9. C 0.4529 0.0012 0.0029 0.0038 0.0004 0.0007 0.0023 0.0949 10. C 0.0014 0.4493 0.0029 0.0009 0.0004 0.0035 0.0100 0.0879 11. H 0.0000 0.0000 0.0004 0.0003 0.0001 0.0001 0.0002 0.0068 12. H 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0008 0.0072 13. H 0.0001 0.0000 0.0008 0.0001 0.0000 0.0000 0.0001 0.0072 14. H 0.0000 0.0000 0.0001 0.0002 0.0002 0.0005 0.0006 0.0065 15. H 0.0000 0.0000 0.0010 0.0019 0.0003 0.0010 0.0005 0.0065 16. H 0.0003 0.0007 0.0002 0.0001 0.0001 0.0001 0.0002 0.0066 17. H 0.0002 0.0002 0.0014 0.0009 0.0000 0.0000 0.0003 0.0066 18. H 0.0007 0.0002 0.0001 0.0000 0.0000 0.0001 0.0008 0.0071 19. H 0.0000 0.0007 0.0008 0.0001 0.0000 0.0000 0.0001 0.0073 20. H 0.0007 0.0000 0.0003 0.0000 0.0000 0.0007 0.0010 0.0071 21. S 0.0008 0.0003 0.0000 0.5167 0.0569 0.0049 0.0079 0.3471 22. S 0.0001 0.0000 0.5167 0.0000 0.5062 0.0642 0.0049 0.0367 23. S 0.0000 0.0000 0.0569 0.5062 0.0000 0.5048 0.0567 0.0110 24. S 0.0000 0.0007 0.0049 0.0642 0.5048 0.0000 0.5173 0.0414 25. S 0.0001 0.0010 0.0079 0.0049 0.0567 0.5173 0.0000 0.3467 26. Sc 0.0073 0.0071 0.3471 0.0367 0.0110 0.0414 0.3467 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. C 1.9753 2. C 1.9731 3. C 1.9716 4. C 1.9762 5. C 1.9700 6. C 1.9740 7. C 1.9757 8. C 1.9741 9. C 1.9741 10. C 1.9751 11. H 0.4733 12. H 0.4768 13. H 0.4764 14. H 0.4731 15. H 0.4705 16. H 0.4707 17. H 0.4727 18. H 0.4759 19. H 0.4760 20. H 0.4728 21. S 0.9795 22. S 1.1515 23. S 1.1411 24. S 1.1537 25. S 0.9795 26. Sc 1.7366 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.5846 0.1209 0.1039 0.5806 0.0242 0.0169 0.0190 0.0330 2. C 0.5846 0.0000 0.5756 0.1183 0.1131 0.0204 0.0167 0.0462 0.0162 3. C 0.1209 0.5756 0.0000 0.5830 0.1117 0.0213 0.0280 0.0245 0.0455 4. C 0.1039 0.1183 0.5830 0.0000 0.5839 0.0247 0.0278 0.0282 0.0168 5. C 0.5806 0.1131 0.1117 0.5839 0.0000 0.0357 0.0246 0.0210 0.0214 6. C 0.0242 0.0204 0.0213 0.0247 0.0357 0.0000 0.5832 0.1107 0.1129 7. C 0.0169 0.0167 0.0280 0.0278 0.0246 0.5832 0.0000 0.5812 0.1153 8. C 0.0190 0.0462 0.0245 0.0282 0.0210 0.1107 0.5812 0.0000 0.5778 9. C 0.0330 0.0162 0.0455 0.0168 0.0214 0.1129 0.1153 0.5778 0.0000 10. C 0.0243 0.0293 0.0189 0.0184 0.0250 0.5821 0.1026 0.1169 0.5813 11. H 0.4748 0.0246 0.0490 0.0490 0.0265 0.0056 0.0040 0.0037 0.0040 12. H 0.0267 0.4764 0.0244 0.0487 0.0499 0.0067 0.0065 0.0077 0.0082 13. H 0.0487 0.0245 0.4762 0.0270 0.0499 0.0051 0.0059 0.0061 0.0073 14. H 0.0492 0.0486 0.0246 0.4746 0.0268 0.0053 0.0104 0.0058 0.0044 15. H 0.0262 0.0488 0.0490 0.0270 0.4715 0.0058 0.0055 0.0056 0.0072 16. H 0.0067 0.0079 0.0065 0.0062 0.0065 0.4737 0.0262 0.0485 0.0485 17. H 0.0042 0.0040 0.0056 0.0098 0.0052 0.0262 0.4739 0.0248 0.0484 18. H 0.0075 0.0078 0.0063 0.0059 0.0055 0.0493 0.0265 0.4759 0.0249 19. H 0.0050 0.0080 0.0081 0.0064 0.0068 0.0493 0.0490 0.0248 0.4759 20. H 0.0099 0.0042 0.0040 0.0042 0.0061 0.0261 0.0485 0.0486 0.0248 21. S 0.0494 0.0346 0.0538 0.0372 0.0397 0.0385 0.0749 0.0318 0.0379 22. S 0.0325 0.0182 0.0182 0.0201 0.0390 0.0350 0.0435 0.0210 0.0434 23. S 0.0114 0.0150 0.0147 0.0132 0.0218 0.0212 0.0141 0.0121 0.0133 24. S 0.0207 0.0212 0.0165 0.0329 0.0360 0.0344 0.0181 0.0452 0.0183 25. S 0.0419 0.0487 0.0311 0.0568 0.0414 0.0421 0.0381 0.0370 0.0336 26. Sc 0.2067 0.2123 0.2138 0.2042 0.2067 0.2067 0.2072 0.2178 0.2178 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0243 0.4748 0.0267 0.0487 0.0492 0.0262 0.0067 0.0042 0.0075 2. C 0.0293 0.0246 0.4764 0.0245 0.0486 0.0488 0.0079 0.0040 0.0078 3. C 0.0189 0.0490 0.0244 0.4762 0.0246 0.0490 0.0065 0.0056 0.0063 4. C 0.0184 0.0490 0.0487 0.0270 0.4746 0.0270 0.0062 0.0098 0.0059 5. C 0.0250 0.0265 0.0499 0.0499 0.0268 0.4715 0.0065 0.0052 0.0055 6. C 0.5821 0.0056 0.0067 0.0051 0.0053 0.0058 0.4737 0.0262 0.0493 7. C 0.1026 0.0040 0.0065 0.0059 0.0104 0.0055 0.0262 0.4739 0.0265 8. C 0.1169 0.0037 0.0077 0.0061 0.0058 0.0056 0.0485 0.0248 0.4759 9. C 0.5813 0.0040 0.0082 0.0073 0.0044 0.0072 0.0485 0.0484 0.0249 10. C 0.0000 0.0094 0.0053 0.0070 0.0047 0.0066 0.0258 0.0485 0.0491 11. H 0.0094 0.0000 0.0187 0.0112 0.0107 0.0177 0.0021 0.0011 0.0011 12. H 0.0053 0.0187 0.0000 0.0177 0.0109 0.0114 0.0023 0.0014 0.0080 13. H 0.0070 0.0112 0.0177 0.0000 0.0187 0.0113 0.0019 0.0009 0.0012 14. H 0.0047 0.0107 0.0109 0.0187 0.0000 0.0181 0.0019 0.0041 0.0012 15. H 0.0066 0.0177 0.0114 0.0113 0.0181 0.0000 0.0031 0.0016 0.0019 16. H 0.0258 0.0021 0.0023 0.0019 0.0019 0.0031 0.0000 0.0189 0.0113 17. H 0.0485 0.0011 0.0014 0.0009 0.0041 0.0016 0.0189 0.0000 0.0188 18. H 0.0491 0.0011 0.0080 0.0012 0.0012 0.0019 0.0113 0.0188 0.0000 19. H 0.0263 0.0005 0.0014 0.0076 0.0013 0.0024 0.0114 0.0108 0.0181 20. H 0.4740 0.0036 0.0005 0.0013 0.0010 0.0023 0.0188 0.0110 0.0110 21. S 0.0382 0.0147 0.0066 0.0205 0.0078 0.0218 0.0099 0.0263 0.0062 22. S 0.0207 0.0119 0.0048 0.0076 0.0090 0.0310 0.0074 0.0209 0.0034 23. S 0.0141 0.0061 0.0035 0.0030 0.0098 0.0124 0.0066 0.0031 0.0030 24. S 0.0417 0.0081 0.0069 0.0048 0.0161 0.0219 0.0084 0.0041 0.0074 25. S 0.0708 0.0103 0.0194 0.0050 0.0175 0.0165 0.0108 0.0115 0.0194 26. Sc 0.2096 0.0584 0.0598 0.0598 0.0570 0.0572 0.0573 0.0575 0.0596 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0050 0.0099 0.0494 0.0325 0.0114 0.0207 0.0419 0.2067 2. C 0.0080 0.0042 0.0346 0.0182 0.0150 0.0212 0.0487 0.2123 3. C 0.0081 0.0040 0.0538 0.0182 0.0147 0.0165 0.0311 0.2138 4. C 0.0064 0.0042 0.0372 0.0201 0.0132 0.0329 0.0568 0.2042 5. C 0.0068 0.0061 0.0397 0.0390 0.0218 0.0360 0.0414 0.2067 6. C 0.0493 0.0261 0.0385 0.0350 0.0212 0.0344 0.0421 0.2067 7. C 0.0490 0.0485 0.0749 0.0435 0.0141 0.0181 0.0381 0.2072 8. C 0.0248 0.0486 0.0318 0.0210 0.0121 0.0452 0.0370 0.2178 9. C 0.4759 0.0248 0.0379 0.0434 0.0133 0.0183 0.0336 0.2178 10. C 0.0263 0.4740 0.0382 0.0207 0.0141 0.0417 0.0708 0.2096 11. H 0.0005 0.0036 0.0147 0.0119 0.0061 0.0081 0.0103 0.0584 12. H 0.0014 0.0005 0.0066 0.0048 0.0035 0.0069 0.0194 0.0598 13. H 0.0076 0.0013 0.0205 0.0076 0.0030 0.0048 0.0050 0.0598 14. H 0.0013 0.0010 0.0078 0.0090 0.0098 0.0161 0.0175 0.0570 15. H 0.0024 0.0023 0.0218 0.0310 0.0124 0.0219 0.0165 0.0572 16. H 0.0114 0.0188 0.0099 0.0074 0.0066 0.0084 0.0108 0.0573 17. H 0.0108 0.0110 0.0263 0.0209 0.0031 0.0041 0.0115 0.0575 18. H 0.0181 0.0110 0.0062 0.0034 0.0030 0.0074 0.0194 0.0596 19. H 0.0000 0.0187 0.0194 0.0072 0.0033 0.0047 0.0067 0.0604 20. H 0.0187 0.0000 0.0129 0.0043 0.0031 0.0181 0.0222 0.0595 21. S 0.0194 0.0129 0.0000 0.5083 0.1686 0.0493 0.0628 0.4166 22. S 0.0072 0.0043 0.5083 0.0000 0.5031 0.1792 0.0494 0.1355 23. S 0.0033 0.0031 0.1686 0.5031 0.0000 0.5024 0.1683 0.0741 24. S 0.0047 0.0181 0.0493 0.1792 0.5024 0.0000 0.5086 0.1439 25. S 0.0067 0.0222 0.0628 0.0494 0.1683 0.5086 0.0000 0.4163 26. Sc 0.0604 0.0595 0.4166 0.1355 0.0741 0.1439 0.4163 0.0000 NATURAL BOND ORBITAL ANALYSIS, alpha spin orbitals: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 0.95 82.46231 3.53769 44 30 0 12 9 8 2 3 0.94 83.47034 2.52966 44 29 4 9 5 5 3 3 0.93 83.53613 2.46387 44 28 4 10 4 4 4 3 0.89 83.44860 2.55140 44 26 4 12 4 6 5 3 0.88 83.46443 2.53557 44 26 4 12 4 6 6 3 0.87 83.43548 2.56452 44 29 0 13 3 8 Search terminated after considering 100000 bonding patterns 7 3 0.86 83.48318 2.51682 44 28 0 14 2 10 8 3 0.93 83.53613 2.46387 44 28 4 10 4 4 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Core 43.99960 ( 99.999% of 44) Valence Lewis 39.53653 ( 94.135% of 42) ================== ============================= Total Lewis 83.53613 ( 97.135% of 86) ----------------------------------------------------- Valence non-Lewis 2.20259 ( 2.561% of 86) Rydberg non-Lewis 0.26128 ( 0.304% of 86) ================== ============================= Total non-Lewis 2.46387 ( 2.865% of 86) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (0.99999) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (0.99999) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (0.99999) 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. (1.00000) CR ( 1) S 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 12. (1.00000) CR ( 2) S 21 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 13. (1.00000) CR ( 3) S 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 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 14. (1.00000) CR ( 4) S 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 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 15. (1.00000) CR ( 5) S 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 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 16. (1.00000) 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 17. (1.00000) 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 18. (1.00000) 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 19. (1.00000) 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 20. (1.00000) 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 21. (1.00000) 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 22. (1.00000) 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 23. (1.00000) 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 24. (1.00000) 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 25. (1.00000) 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 26. (1.00000) 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 27. (1.00000) 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 28. (1.00000) 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 29. (1.00000) 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 30. (1.00000) 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 31. (1.00000) 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 32. (1.00000) 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 33. (1.00000) 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 34. (1.00000) 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 35. (1.00000) 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 36. (1.00000) CR ( 1)Sc 26 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.00000) CR ( 2)Sc 26 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (0.99999) CR ( 3)Sc 26 s(100.00%) 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (1.00000) CR ( 4)Sc 26 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 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (0.99993) CR ( 5)Sc 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.00000) CR ( 6)Sc 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (0.99992) CR ( 7)Sc 26 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 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 43. (1.00000) CR ( 8)Sc 26 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 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 44. (0.99993) CR ( 9)Sc 26 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 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 45. (0.57156) LP ( 1) C 2 s( 3.08%)p31.38( 96.65%)d 0.06( 0.19%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1729 -0.0297 -0.0028 0.0005 -0.0005 0.0000 0.1270 0.0303 -0.0041 0.0018 -0.9558 -0.0317 0.0103 0.0001 0.1848 0.0230 -0.0019 0.0012 -0.0326 0.0020 0.0003 0.0067 0.0011 -0.0006 -0.0231 0.0036 -0.0002 -0.0117 0.0076 -0.0017 -0.0064 0.0034 -0.0007 0.0073 0.0013 0.0011 0.0001 -0.0094 -0.0007 0.0006 0.0004 -0.0071 0.0008 0.0004 0.0010 -0.0213 -0.0009 0.0050 0.0017 -0.0062 0.0001 0.0003 -0.0030 0.0093 -0.0009 0.0002 46. (0.57616) LP ( 1) C 3 s( 3.09%)p31.28( 96.63%)d 0.06( 0.20%) f 0.02( 0.06%)g 0.01( 0.02%) 0.0000 0.1733 -0.0293 -0.0027 0.0004 -0.0005 0.0000 0.1128 0.0280 -0.0040 0.0016 -0.9707 -0.0381 0.0107 -0.0003 0.0927 -0.0177 -0.0008 -0.0017 -0.0295 0.0017 0.0003 0.0018 -0.0016 0.0005 0.0182 0.0009 -0.0008 -0.0189 0.0079 -0.0016 -0.0171 0.0047 -0.0008 0.0025 -0.0005 -0.0057 0.0000 -0.0110 -0.0013 0.0118 0.0003 0.0072 -0.0004 -0.0013 0.0013 -0.0169 -0.0011 -0.0009 -0.0028 0.0064 -0.0009 0.0067 0.0004 -0.0074 0.0037 -0.0012 47. (0.97158) LP ( 1) S 21 s( 49.90%)p 1.00( 50.00%)d 0.00( 0.09%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.7064 0.0065 0.0014 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.0812 -0.0031 -0.0020 0.0002 0.0000 0.0000 -0.5724 0.0055 -0.0042 -0.0011 0.0000 0.0000 -0.4071 0.0054 -0.0022 -0.0013 0.0000 0.0011 -0.0039 -0.0004 0.0000 0.0043 -0.0025 0.0012 0.0001 -0.0255 0.0066 -0.0003 -0.0002 0.0093 -0.0055 -0.0014 0.0000 0.0028 0.0023 0.0003 0.0000 0.0051 -0.0004 0.0012 0.0000 -0.0010 0.0006 0.0001 -0.0002 -0.0003 -0.0008 0.0055 -0.0003 -0.0014 -0.0004 0.0004 0.0003 0.0002 0.0000 0.0009 -0.0002 -0.0010 0.0008 0.0002 48. (0.99495) LP ( 1) S 22 s( 73.68%)p 0.36( 26.28%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8581 -0.0194 0.0002 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1812 -0.0046 0.0016 0.0007 0.0000 0.0000 0.3722 -0.0045 0.0005 0.0009 0.0001 0.0000 -0.3022 0.0076 -0.0030 -0.0014 0.0000 -0.0129 -0.0010 -0.0001 -0.0002 -0.0025 -0.0030 -0.0016 0.0000 0.0114 0.0003 -0.0008 0.0001 -0.0053 -0.0015 -0.0014 -0.0001 -0.0020 0.0000 -0.0002 0.0000 0.0019 -0.0010 0.0027 -0.0020 0.0026 0.0001 0.0016 -0.0003 -0.0028 0.0008 -0.0024 0.0005 -0.0002 0.0012 -0.0001 -0.0003 0.0002 0.0002 0.0002 -0.0001 0.0002 0.0005 -0.0002 49. (0.94064) LP ( 2) S 22 s( 0.52%)p99.99( 99.30%)d 0.27( 0.14%) f 0.07( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0723 0.0021 0.0003 0.0000 -0.0001 0.0000 0.0000 0.0000 0.4756 -0.0170 0.0008 -0.0003 0.0000 0.0000 -0.7562 0.0241 -0.0017 0.0010 0.0000 0.0000 -0.4403 0.0147 -0.0012 0.0004 0.0000 -0.0106 0.0039 -0.0006 0.0001 0.0125 0.0007 -0.0018 0.0002 -0.0111 -0.0007 0.0011 -0.0001 -0.0138 0.0002 0.0018 -0.0001 -0.0278 0.0028 0.0010 0.0000 -0.0070 0.0000 -0.0020 -0.0001 -0.0017 0.0001 -0.0027 0.0008 -0.0123 0.0012 0.0116 -0.0021 -0.0039 0.0005 -0.0020 -0.0020 -0.0006 0.0008 -0.0014 -0.0008 -0.0002 -0.0027 -0.0016 50. (0.99748) LP ( 1) S 23 s( 74.05%)p 0.35( 25.92%)d 0.00( 0.03%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.8604 -0.0170 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.2190 0.0033 0.0017 0.0011 0.0000 0.0000 -0.4516 -0.0088 -0.0023 -0.0008 -0.0001 0.0000 0.0845 0.0016 0.0004 0.0002 0.0000 0.0140 0.0007 -0.0002 0.0002 -0.0026 0.0000 0.0001 0.0000 -0.0003 -0.0010 -0.0009 0.0000 0.0051 0.0000 -0.0008 0.0000 -0.0041 -0.0032 -0.0022 -0.0001 -0.0004 0.0006 -0.0051 0.0022 0.0005 -0.0012 0.0002 0.0004 -0.0023 0.0007 -0.0033 0.0000 -0.0016 -0.0003 0.0001 -0.0001 0.0003 0.0006 0.0003 -0.0001 0.0003 0.0004 0.0000 51. (0.94438) LP ( 2) S 23 s( 2.62%)p37.12( 97.18%)d 0.06( 0.17%) f 0.01( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1618 -0.0026 0.0004 0.0001 0.0000 0.0000 0.0000 0.0000 0.7369 0.0216 0.0006 -0.0006 0.0000 0.0000 0.6449 0.0212 0.0024 -0.0011 0.0000 0.0000 -0.1089 -0.0038 -0.0004 0.0002 0.0000 0.0149 -0.0043 0.0005 0.0000 -0.0033 0.0009 -0.0001 0.0000 -0.0077 0.0007 0.0003 0.0000 -0.0368 0.0025 0.0027 -0.0001 -0.0040 0.0009 -0.0005 0.0000 -0.0051 0.0006 0.0091 -0.0004 0.0112 -0.0013 -0.0020 0.0003 0.0037 -0.0003 0.0063 -0.0009 -0.0073 0.0005 0.0004 -0.0001 -0.0016 -0.0038 0.0000 -0.0001 -0.0014 0.0002 0.0007 52. (0.99459) LP ( 1) S 24 s( 73.99%)p 0.35( 25.97%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8600 -0.0189 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1735 -0.0047 0.0020 0.0007 0.0000 0.0000 0.4513 -0.0066 0.0016 0.0014 0.0001 0.0000 0.1608 -0.0058 0.0027 0.0010 0.0000 -0.0116 0.0003 0.0004 -0.0002 0.0074 0.0027 0.0017 0.0001 -0.0113 -0.0005 0.0000 -0.0002 -0.0004 -0.0012 -0.0016 0.0000 0.0051 0.0003 -0.0003 0.0001 -0.0027 0.0005 0.0008 -0.0013 -0.0007 0.0007 -0.0022 -0.0004 0.0026 -0.0015 -0.0034 0.0008 -0.0014 0.0012 0.0000 0.0000 0.0001 0.0003 0.0004 0.0000 0.0001 0.0004 -0.0001 53. (0.93991) LP ( 2) S 24 s( 0.31%)p99.99( 99.52%)d 0.46( 0.14%) f 0.12( 0.04%)g 0.01( 0.00%) 0.0000 0.0000 0.0552 0.0030 0.0005 0.0000 -0.0001 0.0000 0.0000 0.0000 0.4901 -0.0170 0.0005 -0.0004 0.0000 0.0000 -0.5371 0.0163 -0.0009 0.0007 0.0000 0.0000 0.6823 -0.0225 0.0021 -0.0007 0.0000 -0.0148 0.0034 0.0002 0.0000 -0.0078 -0.0021 0.0017 -0.0002 -0.0124 0.0020 0.0005 0.0001 -0.0135 -0.0004 0.0020 -0.0001 -0.0277 0.0020 0.0012 -0.0001 0.0047 0.0002 -0.0097 0.0009 0.0058 -0.0003 0.0021 -0.0007 0.0124 -0.0017 0.0059 -0.0014 -0.0018 -0.0001 -0.0016 0.0021 -0.0010 0.0010 0.0014 0.0016 -0.0004 -0.0025 -0.0012 54. (0.97241) LP ( 1) S 25 s( 50.03%)p 1.00( 49.87%)d 0.00( 0.09%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.7073 0.0060 0.0016 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.0962 -0.0029 -0.0021 0.0002 0.0000 0.0000 -0.4029 0.0034 -0.0035 -0.0007 0.0000 0.0000 0.5719 -0.0067 0.0034 0.0016 0.0000 0.0002 -0.0032 -0.0007 0.0000 -0.0055 0.0039 -0.0010 -0.0001 0.0248 -0.0053 0.0000 0.0002 0.0011 -0.0034 -0.0014 0.0000 -0.0127 0.0059 0.0002 -0.0001 -0.0027 -0.0001 0.0004 -0.0004 -0.0042 0.0008 0.0014 0.0000 0.0027 0.0005 0.0046 -0.0005 -0.0008 -0.0004 0.0005 -0.0008 0.0001 -0.0006 0.0004 -0.0004 0.0010 0.0003 0.0002 55. (0.98047) BD ( 1) C 1- C 2 ( 49.70%) 0.7050* C 1 s( 32.94%)p 2.03( 66.84%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5739 0.0076 0.0001 0.0004 0.0000 0.0000 -0.7792 0.0363 0.0001 -0.0022 0.1203 -0.0013 -0.0071 0.0009 0.2121 0.0198 0.0083 0.0006 0.0058 -0.0028 -0.0003 -0.0262 -0.0050 0.0005 0.0022 0.0020 -0.0010 0.0239 0.0094 -0.0009 0.0086 -0.0073 -0.0017 -0.0069 -0.0015 0.0024 0.0002 0.0039 -0.0002 0.0124 0.0012 0.0021 -0.0005 -0.0157 -0.0007 0.0024 0.0004 0.0029 0.0091 0.0015 -0.0008 0.0026 -0.0060 0.0005 0.0030 -0.0010 ( 50.30%) 0.7092* C 2 s( 33.31%)p 2.00( 66.47%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5771 0.0056 0.0001 0.0003 -0.0002 0.0000 0.6803 -0.0092 0.0053 0.0025 0.1110 -0.0013 -0.0064 0.0008 -0.4335 0.0387 0.0052 -0.0012 -0.0040 0.0033 -0.0005 -0.0065 -0.0109 -0.0010 0.0062 -0.0006 -0.0009 0.0342 0.0050 -0.0018 -0.0093 -0.0011 -0.0004 0.0067 0.0012 0.0006 -0.0008 0.0043 -0.0002 -0.0142 -0.0016 0.0022 -0.0004 0.0139 0.0007 0.0019 0.0003 -0.0038 0.0089 0.0014 0.0038 0.0027 -0.0044 -0.0001 0.0031 -0.0001 56. (0.97984) BD ( 1) C 1- C 5 ( 50.26%) 0.7090* C 1 s( 33.31%)p 2.00( 66.49%)d 0.00( 0.14%) f 0.00( 0.04%)g 0.00( 0.02%) 0.0000 0.5772 0.0026 0.0011 0.0004 -0.0002 0.0000 0.5966 -0.0365 -0.0018 0.0020 0.2265 -0.0078 -0.0065 0.0013 0.5061 0.0051 0.0077 0.0017 -0.0012 0.0037 0.0003 0.0197 0.0102 0.0008 0.0046 0.0048 -0.0008 0.0133 0.0045 -0.0010 0.0258 -0.0004 -0.0019 -0.0016 -0.0005 0.0119 0.0017 0.0047 0.0004 0.0137 0.0004 0.0038 0.0009 0.0047 0.0001 0.0074 0.0002 -0.0064 -0.0010 -0.0007 0.0093 0.0016 0.0008 0.0043 -0.0002 0.0000 ( 49.74%) 0.7052* C 5 s( 32.81%)p 2.04( 66.99%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5727 0.0051 0.0004 0.0005 -0.0002 0.0000 -0.4680 -0.0067 -0.0064 -0.0011 -0.0164 -0.0063 -0.0077 0.0008 -0.6699 0.0408 0.0036 -0.0021 0.0095 -0.0005 -0.0001 0.0211 0.0110 0.0006 0.0114 0.0011 -0.0005 0.0243 0.0027 -0.0021 -0.0004 0.0068 0.0005 -0.0013 0.0007 -0.0139 -0.0014 -0.0013 -0.0001 -0.0114 -0.0016 -0.0091 0.0000 -0.0065 0.0001 -0.0017 0.0001 -0.0064 0.0063 -0.0002 0.0077 0.0012 -0.0010 0.0025 0.0013 0.0003 57. (0.98376) BD ( 1) C 1- H 11 ( 61.81%) 0.7862* C 1 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5574 -0.0016 -0.0006 -0.0008 0.0002 0.0000 0.1775 0.0005 0.0015 -0.0010 -0.0892 -0.0062 -0.0031 0.0004 -0.8054 -0.0057 -0.0088 0.0048 -0.0016 -0.0005 -0.0003 -0.0030 -0.0046 -0.0002 0.0111 0.0022 -0.0005 0.0030 0.0001 -0.0018 0.0081 0.0119 -0.0004 -0.0188 -0.0014 0.0093 0.0011 -0.0055 -0.0007 -0.0048 0.0005 0.0012 0.0004 0.0010 -0.0002 0.0005 0.0002 0.0056 -0.0066 0.0019 -0.0025 -0.0018 0.0020 0.0002 0.0014 0.0006 ( 38.19%) 0.6180* H 11 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0022 0.0000 0.0001 0.0068 -0.0015 0.0005 -0.0047 0.0014 -0.0003 -0.0309 0.0019 -0.0012 -0.0004 -0.0001 -0.0039 -0.0009 0.0018 0.0007 -0.0007 0.0002 0.0102 0.0027 0.0062 -0.0038 0.0031 0.0007 -0.0011 0.0000 0.0002 58. (0.97874) BD ( 1) C 2- C 3 ( 50.01%) 0.7072* C 2 s( 32.84%)p 2.04( 66.95%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5730 0.0059 0.0003 0.0004 -0.0002 0.0000 -0.0300 0.0299 0.0067 0.0004 0.2497 -0.0069 -0.0073 0.0014 0.7774 -0.0275 0.0034 0.0024 0.0035 0.0014 -0.0009 0.0174 -0.0028 -0.0009 0.0025 0.0062 -0.0003 0.0138 -0.0030 -0.0018 0.0299 0.0097 -0.0003 0.0189 0.0014 0.0027 0.0008 0.0086 0.0010 0.0011 -0.0007 -0.0004 0.0003 0.0015 -0.0005 0.0055 -0.0002 0.0090 0.0011 0.0042 -0.0056 -0.0003 0.0009 -0.0018 0.0033 0.0013 ( 49.99%) 0.7070* C 3 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0065 0.0001 0.0004 -0.0002 0.0000 -0.1878 0.0352 0.0060 0.0000 0.0041 -0.0001 -0.0081 0.0005 -0.7959 0.0229 -0.0022 -0.0027 0.0010 0.0021 -0.0006 -0.0094 0.0061 0.0013 0.0169 -0.0013 -0.0004 0.0089 -0.0011 -0.0015 0.0308 0.0102 -0.0006 -0.0183 -0.0020 -0.0061 -0.0002 -0.0084 0.0001 -0.0040 0.0007 -0.0013 -0.0002 0.0005 -0.0003 0.0046 0.0000 0.0079 0.0073 0.0024 -0.0031 -0.0001 -0.0033 -0.0002 0.0023 0.0005 59. (0.98360) BD ( 1) C 2- H 12 ( 61.00%) 0.7810* C 2 s( 30.61%)p 2.26( 69.30%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5533 -0.0012 0.0000 -0.0007 0.0004 0.0000 -0.7196 -0.0040 -0.0084 0.0040 -0.0753 -0.0063 -0.0029 0.0005 -0.4115 -0.0010 -0.0050 0.0022 0.0098 0.0011 -0.0001 0.0045 0.0101 0.0004 0.0067 0.0001 -0.0004 0.0083 0.0076 -0.0012 -0.0004 -0.0018 -0.0011 0.0069 0.0012 -0.0028 -0.0001 -0.0002 0.0002 -0.0147 -0.0015 -0.0041 -0.0005 -0.0128 -0.0005 -0.0030 -0.0003 -0.0030 -0.0069 -0.0004 0.0037 -0.0007 0.0036 0.0018 0.0011 0.0012 ( 39.00%) 0.6245* H 12 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0009 -0.0017 0.0000 -0.0291 0.0014 -0.0016 -0.0056 -0.0005 -0.0003 -0.0157 0.0013 -0.0008 0.0020 0.0005 0.0087 0.0021 0.0009 0.0003 0.0064 0.0019 -0.0023 -0.0003 -0.0031 0.0008 0.0002 0.0054 0.0019 0.0039 0.0020 60. (0.98026) BD ( 1) C 3- C 4 ( 50.37%) 0.7098* C 3 s( 33.39%)p 1.99( 66.40%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5778 0.0054 0.0001 0.0003 -0.0002 0.0000 0.7484 -0.0161 0.0045 0.0027 0.2129 -0.0136 -0.0076 0.0010 0.2386 -0.0342 -0.0037 0.0005 -0.0035 0.0061 0.0000 -0.0026 0.0070 0.0013 0.0009 -0.0001 0.0000 0.0350 0.0070 -0.0018 -0.0087 -0.0044 -0.0010 -0.0084 -0.0003 -0.0069 -0.0016 0.0032 -0.0003 0.0057 0.0008 0.0025 -0.0002 0.0161 0.0010 0.0059 0.0009 0.0039 -0.0093 -0.0005 -0.0017 -0.0029 0.0035 0.0020 0.0034 0.0022 ( 49.63%) 0.7045* C 4 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0073 0.0002 0.0004 -0.0001 0.0000 -0.8098 0.0315 -0.0010 -0.0023 0.0629 -0.0081 -0.0094 0.0008 -0.0824 -0.0258 -0.0058 -0.0005 0.0139 -0.0018 -0.0005 0.0194 0.0012 -0.0008 0.0066 -0.0024 -0.0003 0.0275 0.0107 -0.0011 -0.0009 -0.0071 -0.0017 0.0011 0.0012 0.0096 0.0010 0.0028 0.0002 -0.0080 -0.0008 -0.0043 0.0004 -0.0169 -0.0011 -0.0028 0.0001 0.0078 -0.0050 0.0016 -0.0055 0.0001 0.0030 -0.0003 0.0043 0.0011 61. (0.98344) BD ( 1) C 3- H 13 ( 61.08%) 0.7815* C 3 s( 30.63%)p 2.26( 69.28%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5535 -0.0015 0.0002 -0.0007 0.0004 0.0000 -0.6237 -0.0040 -0.0070 0.0033 0.0782 -0.0059 -0.0013 -0.0003 0.5454 0.0038 0.0074 -0.0030 0.0059 -0.0019 -0.0003 -0.0081 -0.0110 -0.0005 -0.0042 0.0020 -0.0006 0.0085 0.0054 -0.0013 0.0047 0.0016 -0.0009 -0.0043 -0.0009 -0.0105 -0.0013 0.0030 0.0000 0.0145 0.0013 -0.0034 0.0000 -0.0093 -0.0003 0.0031 0.0003 -0.0057 0.0014 -0.0007 0.0068 0.0005 -0.0022 0.0019 0.0003 -0.0002 ( 38.92%) 0.6239* H 13 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0010 -0.0016 0.0000 -0.0258 0.0008 -0.0013 0.0003 -0.0010 0.0000 0.0218 -0.0017 0.0011 -0.0012 -0.0002 -0.0101 -0.0024 0.0005 0.0003 0.0045 0.0014 0.0011 0.0005 0.0018 0.0043 -0.0004 -0.0057 0.0007 0.0028 -0.0004 62. (0.98021) BD ( 1) C 4- C 5 ( 50.16%) 0.7083* C 4 s( 33.35%)p 1.99( 66.44%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5775 0.0022 0.0012 0.0003 -0.0002 0.0000 0.4785 -0.0364 -0.0033 0.0015 0.0438 -0.0092 -0.0087 0.0007 -0.6573 0.0057 -0.0046 -0.0024 -0.0053 -0.0003 0.0000 -0.0112 -0.0107 -0.0013 0.0146 -0.0022 -0.0007 0.0084 0.0037 -0.0012 0.0284 0.0054 -0.0015 -0.0060 -0.0008 0.0149 0.0020 -0.0041 0.0003 -0.0125 -0.0001 0.0035 0.0002 0.0012 0.0002 0.0020 0.0000 -0.0046 -0.0078 0.0004 0.0081 0.0001 0.0018 0.0020 0.0004 -0.0001 ( 49.84%) 0.7059* C 5 s( 32.97%)p 2.03( 66.82%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5742 0.0046 0.0005 0.0006 -0.0002 0.0000 -0.3313 -0.0137 -0.0066 -0.0007 0.2106 -0.0190 -0.0082 0.0015 0.7158 -0.0346 0.0005 0.0021 0.0001 -0.0032 -0.0002 -0.0252 -0.0079 0.0000 -0.0017 0.0045 0.0002 0.0216 0.0006 -0.0023 0.0114 0.0092 0.0004 0.0074 0.0000 -0.0165 -0.0018 0.0060 0.0004 0.0066 0.0008 -0.0012 -0.0008 -0.0059 0.0006 0.0031 0.0005 -0.0009 -0.0105 0.0008 0.0034 -0.0037 0.0030 0.0013 0.0019 0.0012 63. (0.98407) BD ( 1) C 4- H 14 ( 61.92%) 0.7869* C 4 s( 31.18%)p 2.20( 68.72%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5584 -0.0016 -0.0008 -0.0007 0.0002 0.0000 0.3323 0.0031 0.0031 -0.0018 0.1561 -0.0046 -0.0003 -0.0012 0.7431 0.0071 0.0089 -0.0044 -0.0022 0.0020 -0.0002 0.0060 0.0080 0.0005 -0.0040 0.0040 -0.0003 0.0064 0.0012 -0.0018 0.0105 0.0091 -0.0006 0.0107 0.0009 0.0142 0.0018 0.0094 0.0002 0.0064 0.0001 0.0059 0.0002 0.0016 -0.0002 0.0031 0.0001 0.0003 0.0087 0.0013 0.0021 0.0025 -0.0025 0.0003 0.0010 -0.0004 ( 38.08%) 0.6171* H 14 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0025 -0.0006 0.0001 0.0135 -0.0016 0.0007 0.0041 0.0006 -0.0001 0.0286 -0.0026 0.0009 0.0012 0.0003 0.0070 0.0017 0.0030 0.0008 0.0000 0.0004 0.0077 0.0022 -0.0040 -0.0061 -0.0020 -0.0025 -0.0014 -0.0005 -0.0005 64. (0.98392) BD ( 1) C 5- H 15 ( 62.80%) 0.7925* C 5 s( 31.74%)p 2.15( 68.17%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5633 -0.0020 -0.0004 -0.0010 0.0003 0.0000 0.8182 0.0084 0.0101 -0.0050 0.0603 -0.0092 -0.0014 -0.0007 -0.0912 0.0010 -0.0010 0.0006 -0.0077 0.0022 -0.0002 -0.0002 -0.0024 -0.0001 0.0016 0.0002 -0.0007 0.0103 0.0119 -0.0016 -0.0029 -0.0057 -0.0016 0.0024 0.0003 -0.0102 -0.0015 0.0001 0.0001 -0.0051 -0.0004 0.0001 -0.0001 0.0176 0.0012 0.0055 -0.0002 0.0060 0.0033 0.0016 -0.0052 -0.0002 -0.0014 -0.0010 0.0036 0.0005 ( 37.20%) 0.6099* H 15 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 0.0040 -0.0014 0.0000 0.0307 -0.0025 0.0006 0.0020 0.0020 -0.0002 -0.0024 0.0004 0.0000 0.0011 0.0002 -0.0020 -0.0006 -0.0010 0.0000 0.0085 0.0027 -0.0063 -0.0014 -0.0011 0.0044 0.0001 0.0015 -0.0001 -0.0068 -0.0003 65. (0.98032) BD ( 1) C 6- C 7 ( 49.85%) 0.7061* C 6 s( 33.24%)p 2.00( 66.55%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5765 0.0049 0.0003 0.0004 -0.0001 0.0000 -0.3251 -0.0006 0.0011 -0.0013 0.0628 0.0241 0.0097 0.0000 -0.7444 0.0340 -0.0014 -0.0021 -0.0202 0.0002 0.0023 0.0160 0.0075 -0.0001 -0.0200 -0.0017 0.0003 0.0004 0.0026 -0.0001 0.0144 0.0103 0.0002 -0.0107 -0.0003 -0.0148 -0.0016 0.0073 0.0010 0.0000 -0.0007 0.0062 0.0006 0.0013 -0.0006 0.0056 -0.0002 0.0014 0.0088 -0.0068 0.0029 -0.0015 0.0020 0.0021 -0.0025 0.0005 ( 50.15%) 0.7081* C 7 s( 33.28%)p 2.00( 66.52%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5768 0.0030 0.0010 0.0004 -0.0001 0.0000 0.2744 -0.0206 0.0032 0.0002 -0.3501 0.0314 0.0088 -0.0014 0.6825 -0.0069 0.0045 0.0026 -0.0082 -0.0028 0.0012 0.0149 0.0057 0.0006 0.0031 -0.0093 -0.0012 0.0044 0.0004 -0.0002 0.0306 0.0059 -0.0014 0.0087 0.0010 0.0130 0.0011 -0.0083 -0.0015 0.0029 0.0001 -0.0111 0.0001 -0.0026 -0.0001 0.0014 -0.0001 -0.0029 0.0069 -0.0063 -0.0001 -0.0069 0.0027 0.0011 -0.0007 -0.0001 66. (0.98005) BD ( 1) C 6- C 10 ( 49.79%) 0.7057* C 6 s( 33.12%)p 2.01( 66.67%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5755 0.0051 0.0003 0.0004 -0.0001 0.0000 -0.3829 0.0025 0.0012 -0.0014 0.3305 0.0097 0.0095 0.0007 0.6395 -0.0407 -0.0022 0.0017 -0.0268 -0.0031 0.0021 -0.0081 -0.0080 -0.0008 0.0211 0.0080 0.0001 -0.0070 0.0013 0.0000 -0.0016 0.0057 0.0003 -0.0007 -0.0009 -0.0101 -0.0007 0.0089 0.0008 -0.0064 0.0003 -0.0131 -0.0017 0.0063 -0.0001 0.0051 0.0001 -0.0075 -0.0029 0.0026 0.0003 -0.0086 0.0015 -0.0013 -0.0015 0.0003 ( 50.21%) 0.7086* C 10 s( 33.26%)p 2.00( 66.54%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5767 0.0032 0.0010 0.0004 -0.0001 0.0000 0.3225 -0.0211 0.0038 0.0004 -0.5760 0.0306 0.0065 -0.0024 -0.4775 -0.0069 -0.0072 -0.0017 -0.0147 -0.0056 0.0009 -0.0146 -0.0045 -0.0008 0.0161 0.0101 0.0000 0.0033 -0.0031 -0.0004 0.0240 -0.0014 -0.0019 0.0028 0.0008 0.0050 0.0009 -0.0097 -0.0014 0.0014 0.0008 0.0154 0.0007 -0.0090 -0.0003 -0.0004 0.0000 -0.0061 0.0019 -0.0030 -0.0005 -0.0092 0.0042 -0.0007 -0.0003 0.0003 67. (0.98374) BD ( 1) C 6- H 16 ( 62.34%) 0.7896* C 6 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5596 -0.0035 0.0004 -0.0007 0.0001 0.0000 0.5607 0.0129 0.0091 -0.0032 -0.5932 -0.0013 -0.0051 0.0039 0.1386 0.0008 0.0013 -0.0009 -0.0109 -0.0108 0.0014 0.0027 0.0025 -0.0002 0.0004 -0.0026 -0.0005 0.0093 -0.0010 0.0000 -0.0026 -0.0055 -0.0014 -0.0038 -0.0006 -0.0064 -0.0012 0.0059 0.0009 0.0002 0.0000 -0.0069 -0.0006 -0.0152 -0.0005 -0.0108 -0.0010 0.0053 -0.0029 0.0043 -0.0003 0.0043 -0.0020 -0.0014 -0.0036 -0.0004 ( 37.66%) 0.6137* H 16 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0013 -0.0013 0.0000 0.0234 -0.0037 0.0010 -0.0223 0.0014 -0.0005 0.0054 -0.0004 0.0001 -0.0089 -0.0025 0.0022 0.0006 -0.0025 -0.0005 -0.0005 0.0000 -0.0059 -0.0012 0.0017 0.0030 -0.0027 -0.0003 0.0024 0.0039 0.0051 68. (0.98008) BD ( 1) C 7- C 8 ( 49.73%) 0.7052* C 7 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0069 0.0004 0.0004 -0.0001 0.0000 -0.6411 0.0263 0.0039 -0.0021 0.5044 -0.0156 0.0077 0.0011 0.0327 0.0288 0.0054 0.0005 -0.0298 -0.0102 0.0012 -0.0098 -0.0012 0.0005 0.0161 -0.0022 -0.0006 -0.0110 0.0028 0.0004 -0.0024 -0.0071 -0.0017 0.0000 -0.0011 0.0047 0.0008 -0.0096 -0.0009 -0.0030 0.0004 -0.0059 -0.0006 0.0130 0.0006 0.0122 0.0009 0.0087 0.0026 -0.0010 -0.0009 0.0062 0.0012 0.0017 -0.0046 0.0002 ( 50.27%) 0.7090* C 8 s( 33.20%)p 2.01( 66.58%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5762 0.0054 0.0006 0.0004 -0.0002 0.0000 0.4249 -0.0047 0.0084 0.0012 -0.6660 0.0208 0.0027 -0.0025 -0.2001 0.0340 0.0042 -0.0003 -0.0348 -0.0084 0.0018 0.0047 -0.0051 -0.0008 -0.0040 0.0041 0.0009 0.0057 -0.0049 -0.0001 -0.0082 -0.0053 -0.0012 0.0070 0.0000 -0.0085 -0.0011 0.0032 0.0013 0.0017 -0.0003 0.0046 0.0006 -0.0151 -0.0012 -0.0100 -0.0002 0.0057 0.0058 -0.0061 0.0024 0.0035 0.0029 0.0013 -0.0041 0.0015 69. (0.98270) BD ( 1) C 7- H 17 ( 61.91%) 0.7868* C 7 s( 31.13%)p 2.21( 68.78%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5579 -0.0015 -0.0007 -0.0007 0.0002 0.0000 0.1846 0.0050 0.0045 -0.0011 -0.3531 0.0011 -0.0019 0.0022 -0.7272 -0.0068 -0.0082 0.0045 -0.0062 -0.0022 0.0018 -0.0085 -0.0040 -0.0005 0.0011 0.0087 0.0001 0.0031 -0.0016 0.0000 0.0099 0.0084 -0.0007 -0.0092 -0.0006 0.0065 0.0012 -0.0160 -0.0014 0.0045 0.0001 0.0087 0.0003 -0.0041 0.0000 0.0002 0.0002 -0.0012 -0.0055 0.0064 -0.0020 -0.0036 -0.0012 -0.0020 -0.0007 -0.0004 ( 38.09%) 0.6172* H 17 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0024 -0.0003 0.0001 0.0082 -0.0012 0.0003 -0.0122 0.0012 -0.0005 -0.0291 0.0016 -0.0012 -0.0006 -0.0006 -0.0043 -0.0010 0.0074 0.0018 -0.0013 -0.0003 0.0073 0.0020 0.0033 -0.0036 0.0054 -0.0011 -0.0032 0.0008 0.0003 70. (0.97879) BD ( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0059 0.0006 0.0004 -0.0003 0.0000 -0.2030 0.0273 0.0097 -0.0006 0.1291 -0.0235 0.0020 -0.0004 0.7816 -0.0193 0.0035 0.0027 -0.0091 0.0004 0.0015 0.0139 -0.0064 -0.0012 0.0053 0.0036 0.0007 -0.0016 -0.0017 0.0006 0.0326 0.0100 -0.0008 0.0181 0.0019 -0.0022 -0.0006 0.0102 0.0002 -0.0015 -0.0001 -0.0052 0.0007 -0.0039 0.0002 0.0028 0.0002 0.0066 -0.0056 0.0073 0.0002 0.0015 -0.0024 -0.0029 -0.0021 0.0004 ( 50.00%) 0.7071* C 9 s( 32.75%)p 2.05( 67.03%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5723 0.0057 0.0007 0.0004 -0.0003 0.0000 -0.1356 0.0246 0.0102 -0.0005 -0.1746 -0.0146 0.0007 -0.0014 -0.7872 0.0286 -0.0030 -0.0025 -0.0151 0.0025 0.0020 -0.0146 0.0043 0.0006 0.0134 0.0033 -0.0006 -0.0021 -0.0019 0.0007 0.0277 0.0111 -0.0002 -0.0191 -0.0014 -0.0003 0.0002 -0.0086 -0.0014 -0.0006 0.0005 0.0022 -0.0005 -0.0054 0.0005 0.0022 0.0004 0.0091 -0.0002 0.0051 -0.0006 0.0051 -0.0013 0.0012 -0.0033 0.0006 71. (0.98356) BD ( 1) C 8- H 18 ( 61.23%) 0.7825* C 8 s( 30.67%)p 2.26( 69.24%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5538 -0.0017 -0.0001 -0.0007 0.0004 0.0000 -0.4716 -0.0001 -0.0038 0.0026 0.3547 0.0072 0.0058 -0.0020 -0.5865 -0.0052 -0.0079 0.0034 -0.0085 -0.0046 0.0014 0.0023 0.0093 0.0002 -0.0089 -0.0063 -0.0008 -0.0050 0.0016 0.0002 0.0054 0.0030 -0.0009 0.0021 0.0007 -0.0114 -0.0011 0.0067 0.0011 -0.0034 0.0000 0.0142 0.0012 0.0034 -0.0001 0.0080 0.0003 -0.0059 0.0001 -0.0009 0.0003 -0.0072 0.0003 -0.0020 -0.0003 0.0000 ( 38.77%) 0.6227* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0013 -0.0013 0.0001 -0.0177 0.0014 -0.0009 0.0166 -0.0004 0.0008 -0.0236 0.0021 -0.0012 -0.0038 -0.0013 0.0078 0.0019 -0.0068 -0.0015 0.0012 0.0002 0.0023 0.0008 -0.0010 0.0039 -0.0033 0.0007 -0.0055 -0.0014 -0.0020 72. (0.97991) BD ( 1) C 9- C 10 ( 50.24%) 0.7088* C 9 s( 33.13%)p 2.01( 66.65%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5756 0.0056 0.0006 0.0004 -0.0002 0.0000 0.3919 -0.0018 0.0088 0.0010 -0.5393 0.0065 0.0012 -0.0021 0.4694 -0.0393 -0.0045 0.0013 -0.0339 -0.0053 0.0020 0.0108 0.0077 0.0002 -0.0024 -0.0084 -0.0012 0.0057 -0.0033 0.0004 -0.0082 -0.0001 -0.0003 -0.0070 -0.0012 -0.0006 -0.0003 -0.0055 0.0005 0.0029 -0.0003 -0.0146 -0.0017 -0.0104 -0.0007 -0.0087 -0.0001 -0.0053 -0.0048 0.0062 -0.0020 -0.0057 -0.0028 -0.0028 -0.0026 -0.0002 ( 49.76%) 0.7054* C 10 s( 32.89%)p 2.03( 66.89%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5735 0.0071 0.0002 0.0005 0.0000 0.0000 -0.6331 0.0282 0.0045 -0.0021 0.4406 -0.0247 0.0052 0.0008 -0.2684 -0.0180 -0.0076 -0.0010 -0.0228 -0.0089 0.0009 0.0188 0.0063 -0.0007 -0.0185 -0.0025 -0.0004 -0.0057 0.0028 0.0004 0.0120 -0.0065 -0.0019 0.0067 0.0015 -0.0023 -0.0002 -0.0028 0.0003 0.0020 -0.0006 0.0141 0.0012 0.0075 0.0002 0.0125 0.0007 0.0011 -0.0066 0.0072 -0.0021 -0.0016 -0.0032 -0.0051 -0.0024 -0.0010 73. (0.98336) BD ( 1) C 9- H 19 ( 61.21%) 0.7824* C 9 s( 30.65%)p 2.26( 69.25%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5537 -0.0015 -0.0001 -0.0007 0.0004 0.0000 -0.5111 -0.0002 -0.0046 0.0029 0.5421 0.0085 0.0082 -0.0031 0.3704 0.0017 0.0048 -0.0021 -0.0097 -0.0082 0.0012 0.0006 -0.0068 -0.0005 0.0071 0.0063 0.0001 -0.0088 -0.0002 0.0000 -0.0003 -0.0028 -0.0012 -0.0072 -0.0012 -0.0009 0.0000 0.0001 -0.0003 -0.0018 -0.0003 -0.0144 -0.0015 0.0105 0.0006 0.0097 0.0003 -0.0016 0.0056 -0.0055 0.0006 -0.0024 0.0034 0.0024 -0.0017 0.0008 ( 38.79%) 0.6228* H 19 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0013 -0.0014 0.0001 -0.0188 0.0017 -0.0010 0.0240 -0.0012 0.0012 0.0141 -0.0014 0.0006 -0.0070 -0.0021 -0.0056 -0.0013 0.0060 0.0015 -0.0009 -0.0003 -0.0031 -0.0005 0.0032 0.0000 0.0000 0.0011 0.0054 -0.0042 -0.0024 74. (0.98236) BD ( 1) C 10- H 20 ( 61.84%) 0.7864* C 10 s( 31.09%)p 2.21( 68.81%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5576 -0.0015 -0.0006 -0.0008 0.0002 0.0000 0.1218 0.0044 0.0037 -0.0007 -0.0521 0.0036 0.0013 0.0003 0.8188 0.0056 0.0088 -0.0050 -0.0028 -0.0004 0.0019 0.0092 0.0030 -0.0002 0.0063 -0.0016 -0.0004 0.0016 0.0001 0.0001 0.0091 0.0127 -0.0005 0.0205 0.0016 0.0070 0.0009 -0.0026 -0.0002 0.0007 0.0001 -0.0042 0.0005 -0.0010 -0.0001 0.0002 0.0002 0.0071 0.0045 -0.0025 0.0009 0.0034 0.0011 0.0010 -0.0017 0.0003 ( 38.16%) 0.6177* H 20 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0023 0.0000 0.0001 0.0062 -0.0008 0.0003 -0.0003 0.0005 0.0000 0.0322 -0.0019 0.0014 0.0012 -0.0001 0.0028 0.0008 -0.0013 -0.0002 0.0003 0.0000 0.0109 0.0028 -0.0071 -0.0036 0.0003 -0.0005 0.0005 0.0000 0.0001 75. (0.98745) BD ( 1) S 21- S 22 ( 46.17%) 0.6795* S 21 s( 9.23%)p 9.69( 89.45%)d 0.13( 1.20%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3001 0.0474 0.0014 0.0005 0.0003 0.0000 0.0000 0.0000 0.8084 0.0474 0.0005 0.0014 0.0000 0.0000 0.4884 0.0073 -0.0032 0.0019 -0.0001 0.0000 -0.0054 -0.0086 -0.0012 0.0007 -0.0001 0.0838 0.0088 0.0010 0.0000 0.0337 -0.0102 0.0009 0.0001 0.0204 -0.0078 0.0008 -0.0001 0.0201 0.0218 0.0001 -0.0001 -0.0467 -0.0113 -0.0002 -0.0001 0.0005 -0.0013 -0.0155 -0.0020 -0.0093 -0.0007 -0.0045 0.0019 0.0055 -0.0002 0.0041 -0.0003 0.0262 0.0025 0.0032 -0.0010 -0.0002 -0.0034 -0.0033 0.0006 -0.0001 -0.0027 0.0065 ( 53.83%) 0.7337* S 22 s( 14.08%)p 6.00( 84.53%)d 0.09( 1.23%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3723 0.0471 -0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 -0.7912 -0.0289 0.0052 -0.0004 0.0001 0.0000 -0.4649 -0.0231 -0.0015 0.0005 0.0000 0.0000 0.0032 -0.0416 -0.0077 0.0004 -0.0001 0.0760 0.0032 -0.0028 0.0002 -0.0109 0.0065 0.0004 -0.0002 -0.0029 0.0033 0.0007 -0.0001 0.0594 -0.0068 0.0003 0.0002 -0.0524 -0.0027 0.0012 -0.0001 0.0033 0.0000 0.0173 -0.0012 0.0083 -0.0001 -0.0036 -0.0006 -0.0034 0.0005 -0.0040 0.0004 -0.0315 0.0019 0.0044 -0.0019 -0.0009 -0.0040 -0.0053 -0.0001 0.0019 -0.0039 0.0084 76. (0.98996) BD ( 1) S 21-Sc 26 ( 86.77%) 0.9315* S 21 s( 41.05%)p 1.43( 58.58%)d 0.01( 0.34%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.6404 -0.0189 -0.0021 0.0002 0.0002 0.0000 0.0000 0.0000 -0.4725 0.0007 0.0071 0.0005 -0.0001 0.0000 0.4020 -0.0067 -0.0035 -0.0018 0.0000 0.0000 0.4481 -0.0078 -0.0072 -0.0008 0.0000 -0.0286 0.0045 0.0004 -0.0001 -0.0309 0.0095 0.0008 -0.0001 0.0361 -0.0090 -0.0012 0.0000 -0.0072 -0.0005 -0.0003 0.0000 0.0110 -0.0008 0.0003 0.0001 -0.0089 0.0014 -0.0048 0.0013 0.0036 -0.0003 0.0050 -0.0006 -0.0063 0.0011 -0.0055 0.0005 0.0053 -0.0011 -0.0013 -0.0002 -0.0001 0.0007 -0.0015 0.0004 0.0019 -0.0010 -0.0008 ( 13.23%) 0.3637*Sc 26 s( 25.33%)p 0.00( 0.11%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 0.5028 0.0232 -0.0053 -0.0012 -0.0009 0.0002 0.0000 0.0000 0.0000 0.0000 0.0058 0.0146 -0.0063 -0.0001 0.0000 0.0000 -0.0017 -0.0106 0.0036 0.0010 0.0000 0.0000 -0.0057 -0.0205 0.0128 -0.0049 -0.4049 -0.0160 0.0015 -0.0014 0.0013 -0.6227 -0.0275 -0.0011 -0.0063 0.0012 0.3006 0.0437 0.0076 -0.0011 -0.0010 0.2284 -0.0192 -0.0042 0.0011 -0.0002 0.2142 0.0149 -0.0077 -0.0005 0.0012 0.0172 0.0003 0.0019 -0.0131 0.0053 0.0009 0.0118 -0.0060 0.0012 -0.0083 -0.0027 -0.0006 0.0014 0.0039 0.0011 0.0067 0.0003 0.0001 0.0048 -0.0001 -0.0025 -0.0088 -0.0047 0.0172 -0.0002 0.0010 0.0002 0.0071 -0.0008 -0.0094 -0.0035 -0.0049 -0.0017 0.0159 0.0034 0.0059 0.0008 0.0021 -0.0007 77. (0.94401) BD ( 2) S 21-Sc 26 ( 94.50%) 0.9721* S 21 s( 0.00%)p 1.00( 99.76%)d 0.00( 0.20%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0021 -0.0036 0.0001 -0.0001 0.0001 0.0000 0.0000 0.0000 0.3156 -0.0011 0.0036 -0.0003 0.0000 0.0000 -0.5175 0.0050 -0.0030 0.0011 0.0000 0.0000 0.7938 -0.0061 0.0034 -0.0007 0.0000 0.0104 -0.0031 0.0005 -0.0001 0.0172 -0.0003 -0.0005 -0.0001 0.0212 -0.0028 -0.0005 0.0000 0.0225 -0.0030 -0.0007 0.0000 0.0227 -0.0075 -0.0003 0.0002 -0.0024 -0.0008 -0.0078 0.0009 0.0069 -0.0012 0.0074 -0.0006 0.0116 -0.0008 0.0079 -0.0002 -0.0022 0.0005 0.0000 -0.0023 0.0002 0.0001 -0.0005 -0.0004 0.0011 0.0013 0.0008 ( 5.50%) 0.2344*Sc 26 s( 0.42%)p 2.22( 0.93%)d99.99( 96.91%) f 1.73( 0.72%)g 2.44( 1.02%) 0.0000 0.0000 0.0000 0.0639 -0.0093 -0.0040 0.0002 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0276 0.0010 -0.0091 0.0091 0.0000 0.0000 -0.0063 -0.0053 0.0006 -0.0010 0.0000 0.0000 0.0780 -0.0111 -0.0408 0.0212 -0.3569 0.0235 0.0143 0.0023 -0.0003 0.2473 -0.0945 0.0153 0.0029 0.0006 0.4715 -0.0827 -0.0231 0.0033 0.0030 -0.0184 0.0071 0.0031 -0.0006 0.0006 -0.7302 0.0761 0.0389 -0.0020 -0.0013 -0.0516 0.0223 -0.0069 0.0280 -0.0071 0.0031 -0.0231 0.0108 -0.0034 -0.0207 -0.0001 0.0007 -0.0359 0.0148 -0.0030 0.0231 -0.0023 0.0011 -0.0039 -0.0035 0.0002 -0.0192 0.0029 -0.0651 0.0090 0.0489 -0.0071 -0.0142 0.0010 -0.0302 0.0034 -0.0325 0.0063 -0.0225 0.0025 0.0173 -0.0004 -0.0048 0.0020 78. (0.99484) BD ( 1) S 22- S 23 ( 49.42%) 0.7030* S 22 s( 12.00%)p 7.22( 86.65%)d 0.10( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3435 0.0444 0.0015 0.0003 0.0000 0.0000 0.0000 0.0000 0.3103 0.0484 0.0042 0.0003 0.0001 0.0000 -0.2605 0.0009 0.0015 0.0000 0.0001 0.0000 0.8361 0.0323 -0.0007 0.0006 -0.0001 -0.0169 -0.0041 0.0005 -0.0001 0.0528 0.0045 0.0007 0.0000 -0.0436 -0.0006 0.0015 -0.0002 0.0052 -0.0017 0.0007 0.0000 0.0854 0.0006 -0.0007 0.0001 0.0113 0.0013 0.0222 0.0003 -0.0154 0.0000 0.0097 -0.0008 -0.0069 -0.0005 0.0035 -0.0006 -0.0020 0.0004 0.0010 0.0078 -0.0033 0.0032 -0.0041 0.0000 -0.0033 -0.0006 -0.0015 ( 50.58%) 0.7112* S 23 s( 11.83%)p 7.33( 86.77%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3409 0.0458 0.0005 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4398 0.0017 0.0036 -0.0004 0.0001 0.0000 0.2898 0.0035 -0.0027 0.0000 -0.0001 0.0000 -0.7664 0.0532 -0.0017 -0.0007 0.0000 -0.0290 0.0028 0.0013 -0.0001 0.0798 0.0031 -0.0012 0.0002 -0.0472 -0.0023 0.0014 -0.0002 0.0190 -0.0012 -0.0002 0.0000 0.0534 0.0029 0.0005 0.0001 -0.0149 0.0013 -0.0219 -0.0001 0.0106 -0.0004 -0.0087 0.0000 0.0140 0.0000 0.0002 -0.0003 0.0065 -0.0006 0.0006 0.0076 -0.0047 0.0035 -0.0041 0.0002 -0.0025 -0.0003 -0.0008 79. (0.99479) BD ( 1) S 23- S 24 ( 50.51%) 0.7107* S 23 s( 11.79%)p 7.36( 86.82%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3404 0.0457 0.0004 0.0002 0.0000 0.0000 0.0000 0.0000 -0.4545 0.0029 0.0037 -0.0003 0.0001 0.0000 0.5386 -0.0150 -0.0020 0.0001 -0.0001 0.0000 0.6071 -0.0509 0.0027 0.0005 0.0000 -0.0566 0.0016 0.0017 -0.0002 -0.0654 -0.0039 0.0006 -0.0001 0.0707 0.0028 -0.0009 0.0002 -0.0013 -0.0021 0.0002 0.0000 0.0124 0.0011 0.0012 -0.0001 -0.0003 -0.0006 -0.0118 0.0000 0.0186 -0.0011 -0.0032 0.0007 -0.0223 -0.0001 0.0084 -0.0003 0.0084 -0.0005 -0.0048 -0.0027 0.0024 -0.0015 -0.0071 0.0041 0.0028 -0.0019 0.0001 ( 49.49%) 0.7035* S 24 s( 12.01%)p 7.22( 86.66%)d 0.10( 1.22%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3437 0.0442 0.0018 0.0002 0.0000 0.0000 0.0000 0.0000 0.3300 0.0489 0.0039 0.0002 0.0001 0.0000 -0.5350 -0.0092 0.0018 -0.0002 0.0001 0.0000 -0.6841 -0.0296 0.0002 -0.0006 0.0001 -0.0360 -0.0055 0.0002 -0.0001 -0.0457 -0.0031 -0.0008 0.0000 0.0817 0.0002 -0.0013 0.0002 -0.0164 -0.0017 0.0012 -0.0001 0.0423 0.0001 0.0003 0.0000 0.0066 -0.0010 0.0151 0.0001 -0.0192 -0.0006 0.0020 0.0007 0.0187 0.0002 -0.0022 -0.0009 -0.0039 0.0007 -0.0032 -0.0030 0.0021 -0.0014 -0.0070 0.0044 0.0034 -0.0023 -0.0007 80. (0.98698) BD ( 1) S 24- S 25 ( 53.73%) 0.7330* S 24 s( 13.96%)p 6.06( 84.66%)d 0.09( 1.22%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3709 0.0457 -0.0007 0.0001 0.0001 0.0000 0.0000 0.0000 -0.7761 -0.0269 0.0058 -0.0004 0.0001 0.0000 -0.4625 -0.0091 0.0006 0.0002 0.0001 0.0000 0.1646 0.0482 0.0075 -0.0006 0.0001 0.0776 0.0010 -0.0028 0.0003 -0.0167 -0.0079 0.0007 0.0001 -0.0099 -0.0064 0.0003 0.0000 0.0556 -0.0058 0.0006 0.0002 -0.0505 0.0007 0.0014 -0.0002 -0.0103 0.0000 0.0130 -0.0010 0.0075 -0.0001 0.0117 -0.0001 0.0113 -0.0010 -0.0045 0.0006 -0.0279 0.0020 0.0024 0.0051 0.0026 -0.0024 -0.0029 -0.0007 -0.0061 -0.0029 0.0078 ( 46.27%) 0.6802* S 25 s( 9.16%)p 9.77( 89.49%)d 0.13( 1.23%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.2992 0.0454 0.0013 0.0005 0.0003 0.0000 0.0000 0.0000 0.7958 0.0463 0.0009 0.0013 0.0000 0.0000 0.4821 0.0104 -0.0027 0.0015 0.0000 0.0000 -0.1639 0.0046 0.0022 -0.0012 0.0001 0.0698 0.0127 0.0006 0.0000 -0.0611 0.0060 -0.0012 0.0000 -0.0380 0.0065 -0.0007 -0.0001 0.0244 0.0190 0.0003 -0.0002 -0.0293 -0.0154 0.0003 -0.0001 0.0068 0.0017 -0.0105 -0.0017 -0.0062 -0.0005 -0.0021 -0.0024 -0.0116 -0.0008 0.0051 -0.0003 0.0264 0.0015 0.0024 0.0033 0.0013 -0.0027 -0.0024 -0.0014 -0.0034 -0.0026 0.0057 81. (0.99031) BD ( 1) S 25-Sc 26 ( 86.74%) 0.9313* S 25 s( 40.97%)p 1.43( 58.66%)d 0.01( 0.36%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.6398 -0.0178 -0.0023 0.0003 0.0002 0.0000 0.0000 0.0000 -0.4776 0.0005 0.0072 0.0005 -0.0001 0.0000 0.2092 -0.0039 -0.0011 -0.0013 0.0000 0.0000 -0.5608 0.0097 0.0080 0.0013 0.0000 -0.0174 0.0011 0.0001 0.0000 0.0395 -0.0102 -0.0008 0.0001 -0.0248 0.0063 0.0009 0.0000 0.0043 -0.0030 -0.0006 0.0000 0.0296 -0.0053 -0.0004 0.0001 0.0045 -0.0009 -0.0066 0.0016 0.0057 -0.0008 -0.0089 0.0013 0.0005 -0.0001 -0.0066 0.0007 0.0018 -0.0006 -0.0012 0.0011 -0.0003 0.0019 -0.0008 0.0008 -0.0014 -0.0001 -0.0007 ( 13.26%) 0.3642*Sc 26 s( 25.34%)p 0.00( 0.10%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 0.5028 0.0232 -0.0051 -0.0007 -0.0011 0.0001 0.0000 0.0000 0.0000 0.0000 0.0052 0.0146 -0.0061 0.0004 0.0000 0.0000 0.0001 -0.0041 0.0001 0.0028 0.0000 0.0000 0.0043 0.0235 -0.0123 0.0038 -0.2056 -0.0056 0.0031 0.0004 0.0008 0.7099 0.0359 0.0005 0.0065 -0.0015 -0.0881 -0.0334 -0.0117 0.0011 0.0013 0.2801 -0.0055 -0.0013 0.0011 -0.0003 0.3274 0.0386 -0.0018 -0.0010 0.0004 -0.0211 0.0029 -0.0020 -0.0107 0.0069 0.0012 0.0022 -0.0023 -0.0001 0.0033 0.0050 0.0012 -0.0032 -0.0012 -0.0004 0.0080 0.0011 0.0006 0.0076 0.0016 -0.0021 -0.0079 -0.0027 -0.0076 0.0020 -0.0020 -0.0032 0.0158 0.0027 -0.0138 -0.0007 0.0120 0.0035 -0.0046 -0.0017 0.0098 0.0019 0.0070 0.0007 82. (0.94263) BD ( 2) S 25-Sc 26 ( 94.53%) 0.9722* S 25 s( 0.01%)p 1.00( 99.75%)d 0.00( 0.21%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.0076 -0.0029 0.0003 -0.0002 0.0001 0.0000 0.0000 0.0000 0.3354 -0.0012 0.0036 -0.0004 0.0000 0.0000 -0.7464 0.0067 -0.0038 0.0013 0.0000 0.0000 -0.5725 0.0039 -0.0024 0.0002 0.0000 0.0054 -0.0028 0.0006 0.0000 -0.0207 0.0015 0.0003 0.0001 0.0020 -0.0024 -0.0001 0.0001 0.0269 -0.0030 -0.0009 0.0000 0.0287 -0.0071 -0.0006 0.0002 -0.0021 0.0014 -0.0015 0.0004 0.0029 0.0001 -0.0080 0.0006 -0.0099 0.0010 0.0123 -0.0006 -0.0045 0.0007 0.0000 0.0019 0.0001 0.0005 0.0012 -0.0003 -0.0001 0.0016 0.0011 ( 5.47%) 0.2340*Sc 26 s( 0.35%)p 2.73( 0.95%)d99.99( 96.88%) f 2.17( 0.75%)g 3.07( 1.07%) 0.0000 0.0000 0.0000 0.0573 -0.0129 -0.0040 -0.0028 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0320 -0.0010 -0.0090 0.0063 0.0000 0.0000 -0.0301 -0.0012 0.0118 -0.0082 0.0000 0.0000 -0.0725 0.0120 0.0384 -0.0192 -0.3880 0.0475 0.0013 0.0030 0.0001 -0.1316 0.0827 -0.0194 -0.0035 -0.0003 -0.7638 0.1110 0.0405 -0.0041 -0.0027 0.1825 -0.0280 -0.0063 0.0006 0.0011 -0.3985 0.0251 0.0229 -0.0008 0.0005 0.0518 -0.0230 0.0075 0.0068 0.0013 0.0012 0.0250 -0.0094 0.0024 0.0221 0.0014 -0.0006 0.0520 -0.0161 0.0040 0.0019 0.0034 -0.0003 0.0016 -0.0041 0.0003 0.0359 -0.0039 0.0596 -0.0084 -0.0444 0.0057 0.0082 -0.0022 0.0445 -0.0056 0.0286 -0.0058 0.0270 -0.0027 0.0068 0.0011 0.0058 -0.0020 83. (0.94823) 3C ( 1) C 1- C 4- C 5 ( 22.04%) 0.4695* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1563 -0.0291 0.0007 0.0011 -0.0004 0.0000 0.0268 0.0004 0.0122 0.0026 -0.9594 -0.0094 0.0047 0.0006 0.2197 0.0266 0.0017 0.0027 0.0061 -0.0201 -0.0005 0.0058 -0.0014 0.0019 -0.0525 -0.0009 -0.0016 -0.0090 0.0091 -0.0009 0.0056 0.0047 0.0006 -0.0013 0.0013 0.0022 0.0015 -0.0236 -0.0011 0.0059 0.0022 0.0082 -0.0035 -0.0003 0.0006 -0.0097 -0.0018 -0.0039 0.0025 0.0054 0.0013 -0.0050 0.0015 -0.0053 0.0021 0.0039 ( 22.60%) 0.4754* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1509 -0.0282 0.0006 0.0010 -0.0005 0.0000 0.0223 -0.0060 0.0123 0.0023 -0.9816 -0.0172 0.0030 -0.0002 0.0834 -0.0230 -0.0050 -0.0034 0.0135 -0.0177 -0.0007 -0.0083 0.0068 -0.0014 0.0419 0.0087 0.0017 -0.0259 0.0086 -0.0019 -0.0190 0.0007 0.0002 0.0135 0.0003 0.0099 -0.0002 -0.0131 -0.0032 0.0100 -0.0001 -0.0078 0.0032 0.0037 -0.0010 -0.0111 -0.0014 0.0010 0.0014 -0.0021 0.0016 -0.0092 0.0012 0.0025 -0.0001 0.0049 ( 55.36%) 0.7440* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 0.1491 -0.0270 -0.0017 0.0008 -0.0004 0.0000 -0.0128 -0.0305 0.0031 -0.0018 -0.9725 -0.0301 0.0093 -0.0012 0.1604 0.0074 -0.0014 0.0002 0.0416 -0.0002 -0.0001 -0.0070 0.0000 0.0000 -0.0114 0.0024 -0.0006 -0.0219 0.0088 -0.0018 -0.0096 0.0031 -0.0008 0.0033 0.0009 -0.0050 -0.0006 -0.0051 -0.0018 0.0034 0.0008 0.0028 -0.0004 0.0109 -0.0008 -0.0209 -0.0014 0.0010 -0.0039 -0.0017 0.0010 0.0100 -0.0021 0.0032 0.0005 -0.0044 84. (0.94711) 3C ( 1) C 6- C 7- C 10 ( 54.77%) 0.7401* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 0.1438 -0.0226 -0.0047 0.0008 -0.0003 0.0000 0.6559 -0.0046 -0.0060 -0.0004 0.7283 0.0420 -0.0090 0.0020 -0.1134 -0.0081 0.0015 -0.0003 0.0173 -0.0076 0.0013 -0.0046 0.0015 -0.0003 -0.0107 0.0006 -0.0001 -0.0434 0.0014 -0.0003 -0.0078 0.0016 -0.0002 -0.0034 -0.0009 0.0013 0.0008 0.0072 0.0019 0.0034 -0.0005 0.0012 0.0005 0.0102 0.0016 -0.0218 -0.0003 0.0013 -0.0002 -0.0043 -0.0097 -0.0017 0.0028 -0.0040 0.0003 -0.0044 ( 22.49%) 0.4742* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1551 -0.0273 -0.0006 0.0009 -0.0006 0.0000 0.6889 0.0039 0.0049 0.0020 0.7022 0.0170 -0.0124 -0.0017 -0.0477 0.0224 0.0071 0.0041 0.0221 -0.0071 0.0017 0.0340 0.0023 0.0021 0.0257 0.0111 0.0003 -0.0173 0.0178 0.0005 -0.0152 0.0012 0.0005 -0.0110 0.0002 0.0170 0.0026 0.0036 0.0026 -0.0101 0.0030 0.0085 -0.0001 0.0064 0.0016 -0.0112 -0.0001 0.0007 -0.0011 -0.0004 0.0097 -0.0010 0.0013 0.0003 -0.0011 0.0049 ( 22.74%) 0.4769* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1586 -0.0288 -0.0005 0.0009 -0.0005 0.0000 0.6892 0.0069 0.0054 0.0021 0.6826 0.0080 -0.0143 -0.0030 -0.1665 -0.0260 -0.0019 -0.0030 0.0114 -0.0069 0.0008 -0.0402 0.0012 -0.0025 -0.0334 -0.0022 0.0003 -0.0024 0.0201 0.0007 -0.0005 0.0055 0.0001 0.0044 -0.0010 0.0177 0.0017 0.0168 0.0000 0.0059 -0.0035 0.0035 0.0019 0.0067 0.0014 -0.0064 -0.0018 -0.0033 0.0036 0.0055 0.0038 -0.0013 -0.0040 0.0049 -0.0023 0.0030 85. (0.63631) 3Cn( 1) C 1- C 4- C 5 ( 50.93%) 0.7137* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1563 -0.0291 0.0007 0.0011 -0.0004 0.0000 0.0268 0.0004 0.0122 0.0026 -0.9594 -0.0094 0.0047 0.0006 0.2197 0.0266 0.0017 0.0027 0.0061 -0.0201 -0.0005 0.0058 -0.0014 0.0019 -0.0525 -0.0009 -0.0016 -0.0090 0.0091 -0.0009 0.0056 0.0047 0.0006 -0.0013 0.0013 0.0022 0.0015 -0.0236 -0.0011 0.0059 0.0022 0.0082 -0.0035 -0.0003 0.0006 -0.0097 -0.0018 -0.0039 0.0025 0.0054 0.0013 -0.0050 0.0015 -0.0053 0.0021 0.0039 ( 49.07%) 0.7005* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 -0.1509 0.0282 -0.0006 -0.0010 0.0005 0.0000 -0.0223 0.0060 -0.0123 -0.0023 0.9816 0.0172 -0.0030 0.0002 -0.0834 0.0230 0.0050 0.0034 -0.0135 0.0177 0.0007 0.0083 -0.0068 0.0014 -0.0419 -0.0087 -0.0017 0.0259 -0.0086 0.0019 0.0190 -0.0007 -0.0002 -0.0135 -0.0003 -0.0099 0.0002 0.0131 0.0032 -0.0100 0.0001 0.0078 -0.0032 -0.0037 0.0010 0.0111 0.0014 -0.0010 -0.0014 0.0021 -0.0016 0.0092 -0.0012 -0.0025 0.0001 -0.0049 ( 0.00%) 0.0028* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 -0.1491 0.0270 0.0017 -0.0008 0.0004 0.0000 0.0128 0.0305 -0.0031 0.0018 0.9725 0.0301 -0.0093 0.0012 -0.1604 -0.0074 0.0014 -0.0002 -0.0416 0.0002 0.0001 0.0070 0.0000 0.0000 0.0114 -0.0024 0.0006 0.0219 -0.0088 0.0018 0.0096 -0.0031 0.0008 -0.0033 -0.0009 0.0050 0.0006 0.0051 0.0018 -0.0034 -0.0008 -0.0028 0.0004 -0.0109 0.0008 0.0209 0.0014 -0.0010 0.0039 0.0017 -0.0010 -0.0100 0.0021 -0.0032 -0.0005 0.0044 86. (0.63707) 3Cn( 1) C 6- C 7- C 10 ( 0.00%) 0.0045* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 -0.1438 0.0226 0.0047 -0.0008 0.0003 0.0000 -0.6559 0.0046 0.0060 0.0004 -0.7283 -0.0420 0.0090 -0.0020 0.1134 0.0081 -0.0015 0.0003 -0.0173 0.0076 -0.0013 0.0046 -0.0015 0.0003 0.0107 -0.0006 0.0001 0.0434 -0.0014 0.0003 0.0078 -0.0016 0.0002 0.0034 0.0009 -0.0013 -0.0008 -0.0072 -0.0019 -0.0034 0.0005 -0.0012 -0.0005 -0.0102 -0.0016 0.0218 0.0003 -0.0013 0.0002 0.0043 0.0097 0.0017 -0.0028 0.0040 -0.0003 0.0044 ( 49.78%) 0.7055* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 -0.1551 0.0273 0.0006 -0.0009 0.0006 0.0000 -0.6889 -0.0039 -0.0049 -0.0020 -0.7022 -0.0170 0.0124 0.0017 0.0477 -0.0224 -0.0071 -0.0041 -0.0221 0.0071 -0.0017 -0.0340 -0.0023 -0.0021 -0.0257 -0.0111 -0.0003 0.0173 -0.0178 -0.0005 0.0152 -0.0012 -0.0005 0.0110 -0.0002 -0.0170 -0.0026 -0.0036 -0.0026 0.0101 -0.0030 -0.0085 0.0001 -0.0064 -0.0016 0.0112 0.0001 -0.0007 0.0011 0.0004 -0.0097 0.0010 -0.0013 -0.0003 0.0011 -0.0049 ( 50.22%) 0.7087* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1586 -0.0288 -0.0005 0.0009 -0.0005 0.0000 0.6892 0.0069 0.0054 0.0021 0.6826 0.0080 -0.0143 -0.0030 -0.1665 -0.0260 -0.0019 -0.0030 0.0114 -0.0069 0.0008 -0.0402 0.0012 -0.0025 -0.0334 -0.0022 0.0003 -0.0024 0.0201 0.0007 -0.0005 0.0055 0.0001 0.0044 -0.0010 0.0177 0.0017 0.0168 0.0000 0.0059 -0.0035 0.0035 0.0019 0.0067 0.0014 -0.0064 -0.0018 -0.0033 0.0036 0.0055 0.0038 -0.0013 -0.0040 0.0049 -0.0023 0.0030 ---------------- non-Lewis ---------------------------------------------------- 87. (0.56759) LV ( 1) C 8 s( 3.22%)p29.98( 96.50%)d 0.06( 0.20%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1774 -0.0261 -0.0048 0.0005 -0.0004 0.0000 0.7422 0.0449 -0.0107 0.0014 0.6399 0.0057 -0.0057 -0.0006 -0.0428 0.0224 0.0001 0.0017 0.0188 -0.0069 0.0014 0.0160 0.0012 -0.0008 0.0177 -0.0012 0.0000 0.0280 -0.0016 -0.0001 -0.0145 0.0044 -0.0008 -0.0023 0.0006 0.0043 0.0007 0.0137 0.0011 0.0071 -0.0006 0.0104 0.0001 0.0136 0.0001 -0.0102 -0.0017 0.0003 0.0052 0.0028 -0.0086 0.0005 -0.0048 0.0044 -0.0031 -0.0024 88. (0.56792) LV ( 1) C 9 s( 3.28%)p29.43( 96.44%)d 0.06( 0.20%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1790 -0.0264 -0.0051 0.0005 -0.0004 0.0000 0.7497 0.0458 -0.0106 0.0015 0.6175 -0.0017 -0.0053 -0.0011 -0.1360 -0.0197 0.0013 -0.0012 0.0137 -0.0071 0.0016 -0.0180 0.0008 0.0003 -0.0115 0.0027 -0.0005 0.0351 -0.0020 -0.0002 -0.0074 0.0030 -0.0005 -0.0062 -0.0013 0.0075 0.0010 0.0058 0.0005 -0.0067 0.0006 -0.0017 0.0002 0.0174 0.0000 -0.0131 -0.0014 0.0037 -0.0064 -0.0034 0.0017 -0.0008 0.0055 -0.0080 0.0002 0.0013 89. (0.14187) LV ( 1)Sc 26 s( 0.00%)p 1.00( 0.05%)d99.99( 99.78%) f 3.18( 0.16%)g 0.17( 0.01%) 0.0000 0.0000 0.0000 0.0024 0.0017 0.0043 0.0006 -0.0002 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0054 -0.0057 0.0031 -0.0110 0.0000 0.0000 -0.0008 -0.0153 0.0004 -0.0070 0.0000 0.0000 0.0022 0.0030 0.0005 0.0011 -0.5003 0.0268 -0.0098 -0.0008 0.0007 0.0637 0.0038 0.0011 -0.0002 -0.0002 -0.0780 -0.0085 -0.0049 0.0009 -0.0003 -0.8244 0.0313 -0.0117 0.0040 -0.0005 0.2331 -0.0352 -0.0083 -0.0002 -0.0006 0.0030 0.0007 -0.0004 -0.0007 0.0001 -0.0005 -0.0027 -0.0007 0.0007 0.0037 -0.0001 -0.0006 -0.0068 0.0006 0.0008 -0.0332 0.0018 0.0050 -0.0182 0.0015 0.0032 -0.0002 -0.0001 0.0000 -0.0006 0.0020 -0.0001 0.0065 -0.0001 0.0009 0.0001 0.0002 -0.0001 0.0012 0.0009 -0.0012 0.0046 -0.0028 -0.0009 90. (0.11443) LV ( 2)Sc 26 s( 47.38%)p 0.01( 0.28%)d 1.10( 52.18%) f 0.00( 0.08%)g 0.00( 0.08%) 0.0000 0.0000 0.0000 0.6877 -0.0282 0.0079 -0.0025 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0492 0.0120 0.0030 0.0034 0.0000 0.0000 -0.0154 -0.0008 -0.0006 0.0027 0.0000 0.0000 0.0019 0.0002 -0.0002 0.0000 0.5115 -0.0153 0.0154 0.0014 0.0005 -0.0763 0.0013 -0.0029 -0.0001 0.0000 -0.1321 0.0230 -0.0012 -0.0012 0.0001 -0.3864 0.0121 -0.0113 -0.0029 -0.0002 -0.2824 0.0803 0.0027 -0.0036 0.0005 -0.0060 -0.0006 0.0002 -0.0045 -0.0026 0.0011 0.0144 0.0014 -0.0003 -0.0019 0.0003 0.0003 0.0016 -0.0007 0.0000 0.0185 0.0001 -0.0012 -0.0113 -0.0009 -0.0017 0.0111 -0.0011 -0.0002 0.0005 0.0104 -0.0010 0.0095 -0.0011 -0.0024 -0.0002 -0.0031 -0.0004 0.0037 -0.0004 0.0021 -0.0009 0.0205 0.0013 91. (0.00784) BD*( 1) C 1- C 2 ( 50.30%) 0.7092* C 1 s( 32.94%)p 2.03( 66.84%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5739 0.0076 0.0001 0.0004 0.0000 0.0000 -0.7792 0.0363 0.0001 -0.0022 0.1203 -0.0013 -0.0071 0.0009 0.2121 0.0198 0.0083 0.0006 0.0058 -0.0028 -0.0003 -0.0262 -0.0050 0.0005 0.0022 0.0020 -0.0010 0.0239 0.0094 -0.0009 0.0086 -0.0073 -0.0017 -0.0069 -0.0015 0.0024 0.0002 0.0039 -0.0002 0.0124 0.0012 0.0021 -0.0005 -0.0157 -0.0007 0.0024 0.0004 0.0029 0.0091 0.0015 -0.0008 0.0026 -0.0060 0.0005 0.0030 -0.0010 ( 49.70%) -0.7050* C 2 s( 33.31%)p 2.00( 66.47%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5771 0.0056 0.0001 0.0003 -0.0002 0.0000 0.6803 -0.0092 0.0053 0.0025 0.1110 -0.0013 -0.0064 0.0008 -0.4335 0.0387 0.0052 -0.0012 -0.0040 0.0033 -0.0005 -0.0065 -0.0109 -0.0010 0.0062 -0.0006 -0.0009 0.0342 0.0050 -0.0018 -0.0093 -0.0011 -0.0004 0.0067 0.0012 0.0006 -0.0008 0.0043 -0.0002 -0.0142 -0.0016 0.0022 -0.0004 0.0139 0.0007 0.0019 0.0003 -0.0038 0.0089 0.0014 0.0038 0.0027 -0.0044 -0.0001 0.0031 -0.0001 92. (0.00732) BD*( 1) C 1- C 5 ( 49.74%) 0.7052* C 1 s( 33.31%)p 2.00( 66.49%)d 0.00( 0.14%) f 0.00( 0.04%)g 0.00( 0.02%) 0.0000 0.5772 0.0026 0.0011 0.0004 -0.0002 0.0000 0.5966 -0.0365 -0.0018 0.0020 0.2265 -0.0078 -0.0065 0.0013 0.5061 0.0051 0.0077 0.0017 -0.0012 0.0037 0.0003 0.0197 0.0102 0.0008 0.0046 0.0048 -0.0008 0.0133 0.0045 -0.0010 0.0258 -0.0004 -0.0019 -0.0016 -0.0005 0.0119 0.0017 0.0047 0.0004 0.0137 0.0004 0.0038 0.0009 0.0047 0.0001 0.0074 0.0002 -0.0064 -0.0010 -0.0007 0.0093 0.0016 0.0008 0.0043 -0.0002 0.0000 ( 50.26%) -0.7090* C 5 s( 32.81%)p 2.04( 66.99%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5727 0.0051 0.0004 0.0005 -0.0002 0.0000 -0.4680 -0.0067 -0.0064 -0.0011 -0.0164 -0.0063 -0.0077 0.0008 -0.6699 0.0408 0.0036 -0.0021 0.0095 -0.0005 -0.0001 0.0211 0.0110 0.0006 0.0114 0.0011 -0.0005 0.0243 0.0027 -0.0021 -0.0004 0.0068 0.0005 -0.0013 0.0007 -0.0139 -0.0014 -0.0013 -0.0001 -0.0114 -0.0016 -0.0091 0.0000 -0.0065 0.0001 -0.0017 0.0001 -0.0064 0.0063 -0.0002 0.0077 0.0012 -0.0010 0.0025 0.0013 0.0003 93. (0.00727) BD*( 1) C 1- H 11 ( 38.19%) 0.6180* C 1 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5574 0.0016 0.0006 0.0008 -0.0002 0.0000 -0.1775 -0.0005 -0.0015 0.0010 0.0892 0.0062 0.0031 -0.0004 0.8054 0.0057 0.0088 -0.0048 0.0016 0.0005 0.0003 0.0030 0.0046 0.0002 -0.0111 -0.0022 0.0005 -0.0030 -0.0001 0.0018 -0.0081 -0.0119 0.0004 0.0188 0.0014 -0.0093 -0.0011 0.0055 0.0007 0.0048 -0.0005 -0.0012 -0.0004 -0.0010 0.0002 -0.0005 -0.0002 -0.0056 0.0066 -0.0019 0.0025 0.0018 -0.0020 -0.0002 -0.0014 -0.0006 ( 61.81%) -0.7862* H 11 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0022 0.0000 -0.0001 -0.0068 0.0015 -0.0005 0.0047 -0.0014 0.0003 0.0309 -0.0019 0.0012 0.0004 0.0001 0.0039 0.0009 -0.0018 -0.0007 0.0007 -0.0002 -0.0102 -0.0027 -0.0062 0.0038 -0.0031 -0.0007 0.0011 0.0000 -0.0002 94. (0.00858) BD*( 1) C 2- C 3 ( 49.99%) 0.7070* C 2 s( 32.84%)p 2.04( 66.95%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5730 0.0059 0.0003 0.0004 -0.0002 0.0000 -0.0300 0.0299 0.0067 0.0004 0.2497 -0.0069 -0.0073 0.0014 0.7774 -0.0275 0.0034 0.0024 0.0035 0.0014 -0.0009 0.0174 -0.0028 -0.0009 0.0025 0.0062 -0.0003 0.0138 -0.0030 -0.0018 0.0299 0.0097 -0.0003 0.0189 0.0014 0.0027 0.0008 0.0086 0.0010 0.0011 -0.0007 -0.0004 0.0003 0.0015 -0.0005 0.0055 -0.0002 0.0090 0.0011 0.0042 -0.0056 -0.0003 0.0009 -0.0018 0.0033 0.0013 ( 50.01%) -0.7072* C 3 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0065 0.0001 0.0004 -0.0002 0.0000 -0.1878 0.0352 0.0060 0.0000 0.0041 -0.0001 -0.0081 0.0005 -0.7959 0.0229 -0.0022 -0.0027 0.0010 0.0021 -0.0006 -0.0094 0.0061 0.0013 0.0169 -0.0013 -0.0004 0.0089 -0.0011 -0.0015 0.0308 0.0102 -0.0006 -0.0183 -0.0020 -0.0061 -0.0002 -0.0084 0.0001 -0.0040 0.0007 -0.0013 -0.0002 0.0005 -0.0003 0.0046 0.0000 0.0079 0.0073 0.0024 -0.0031 -0.0001 -0.0033 -0.0002 0.0023 0.0005 95. (0.00774) BD*( 1) C 2- H 12 ( 39.00%) 0.6245* C 2 s( 30.61%)p 2.26( 69.30%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5533 0.0012 0.0000 0.0007 -0.0004 0.0000 0.7196 0.0040 0.0084 -0.0040 0.0753 0.0063 0.0029 -0.0005 0.4115 0.0010 0.0050 -0.0022 -0.0098 -0.0011 0.0001 -0.0045 -0.0101 -0.0004 -0.0067 -0.0001 0.0004 -0.0083 -0.0076 0.0012 0.0004 0.0018 0.0011 -0.0069 -0.0012 0.0028 0.0001 0.0002 -0.0002 0.0147 0.0015 0.0041 0.0005 0.0128 0.0005 0.0030 0.0003 0.0030 0.0069 0.0004 -0.0037 0.0007 -0.0036 -0.0018 -0.0011 -0.0012 ( 61.00%) -0.7810* H 12 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0009 0.0017 0.0000 0.0291 -0.0014 0.0016 0.0056 0.0005 0.0003 0.0157 -0.0013 0.0008 -0.0020 -0.0005 -0.0087 -0.0021 -0.0009 -0.0003 -0.0064 -0.0019 0.0023 0.0003 0.0031 -0.0008 -0.0002 -0.0054 -0.0019 -0.0039 -0.0020 96. (0.00768) BD*( 1) C 3- C 4 ( 49.63%) 0.7045* C 3 s( 33.39%)p 1.99( 66.40%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5778 -0.0054 -0.0001 -0.0003 0.0002 0.0000 -0.7484 0.0161 -0.0045 -0.0027 -0.2129 0.0136 0.0076 -0.0010 -0.2386 0.0342 0.0037 -0.0005 0.0035 -0.0061 0.0000 0.0026 -0.0070 -0.0013 -0.0009 0.0001 0.0000 -0.0350 -0.0070 0.0018 0.0087 0.0044 0.0010 0.0084 0.0003 0.0069 0.0016 -0.0032 0.0003 -0.0057 -0.0008 -0.0025 0.0002 -0.0161 -0.0010 -0.0059 -0.0009 -0.0039 0.0093 0.0005 0.0017 0.0029 -0.0035 -0.0020 -0.0034 -0.0022 ( 50.37%) -0.7098* C 4 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5740 -0.0073 -0.0002 -0.0004 0.0001 0.0000 0.8098 -0.0315 0.0010 0.0023 -0.0629 0.0081 0.0094 -0.0008 0.0824 0.0258 0.0058 0.0005 -0.0139 0.0018 0.0005 -0.0194 -0.0012 0.0008 -0.0066 0.0024 0.0003 -0.0275 -0.0107 0.0011 0.0009 0.0071 0.0017 -0.0011 -0.0012 -0.0096 -0.0010 -0.0028 -0.0002 0.0080 0.0008 0.0043 -0.0004 0.0169 0.0011 0.0028 -0.0001 -0.0078 0.0050 -0.0016 0.0055 -0.0001 -0.0030 0.0003 -0.0043 -0.0011 97. (0.00769) BD*( 1) C 3- H 13 ( 38.92%) 0.6239* C 3 s( 30.63%)p 2.26( 69.28%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5535 0.0015 -0.0002 0.0007 -0.0004 0.0000 0.6237 0.0040 0.0070 -0.0033 -0.0782 0.0059 0.0013 0.0003 -0.5454 -0.0038 -0.0074 0.0030 -0.0059 0.0019 0.0003 0.0081 0.0110 0.0005 0.0042 -0.0020 0.0006 -0.0085 -0.0054 0.0013 -0.0047 -0.0016 0.0009 0.0043 0.0009 0.0105 0.0013 -0.0030 0.0000 -0.0145 -0.0013 0.0034 0.0000 0.0093 0.0003 -0.0031 -0.0003 0.0057 -0.0014 0.0007 -0.0068 -0.0005 0.0022 -0.0019 -0.0003 0.0002 ( 61.08%) -0.7815* H 13 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0010 0.0016 0.0000 0.0258 -0.0008 0.0013 -0.0003 0.0010 0.0000 -0.0218 0.0017 -0.0011 0.0012 0.0002 0.0101 0.0024 -0.0005 -0.0003 -0.0045 -0.0014 -0.0011 -0.0005 -0.0018 -0.0043 0.0004 0.0057 -0.0007 -0.0028 0.0004 98. (0.00727) BD*( 1) C 4- C 5 ( 49.84%) 0.7059* C 4 s( 33.35%)p 1.99( 66.44%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5775 0.0022 0.0012 0.0003 -0.0002 0.0000 0.4785 -0.0364 -0.0033 0.0015 0.0438 -0.0092 -0.0087 0.0007 -0.6573 0.0057 -0.0046 -0.0024 -0.0053 -0.0003 0.0000 -0.0112 -0.0107 -0.0013 0.0146 -0.0022 -0.0007 0.0084 0.0037 -0.0012 0.0284 0.0054 -0.0015 -0.0060 -0.0008 0.0149 0.0020 -0.0041 0.0003 -0.0125 -0.0001 0.0035 0.0002 0.0012 0.0002 0.0020 0.0000 -0.0046 -0.0078 0.0004 0.0081 0.0001 0.0018 0.0020 0.0004 -0.0001 ( 50.16%) -0.7083* C 5 s( 32.97%)p 2.03( 66.82%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5742 0.0046 0.0005 0.0006 -0.0002 0.0000 -0.3313 -0.0137 -0.0066 -0.0007 0.2106 -0.0190 -0.0082 0.0015 0.7158 -0.0346 0.0005 0.0021 0.0001 -0.0032 -0.0002 -0.0252 -0.0079 0.0000 -0.0017 0.0045 0.0002 0.0216 0.0006 -0.0023 0.0114 0.0092 0.0004 0.0074 0.0000 -0.0165 -0.0018 0.0060 0.0004 0.0066 0.0008 -0.0012 -0.0008 -0.0059 0.0006 0.0031 0.0005 -0.0009 -0.0105 0.0008 0.0034 -0.0037 0.0030 0.0013 0.0019 0.0012 99. (0.00747) BD*( 1) C 4- H 14 ( 38.08%) 0.6171* C 4 s( 31.18%)p 2.20( 68.72%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5584 0.0016 0.0008 0.0007 -0.0002 0.0000 -0.3323 -0.0031 -0.0031 0.0018 -0.1561 0.0046 0.0003 0.0012 -0.7431 -0.0071 -0.0089 0.0044 0.0022 -0.0020 0.0002 -0.0060 -0.0080 -0.0005 0.0040 -0.0040 0.0003 -0.0064 -0.0012 0.0018 -0.0105 -0.0091 0.0006 -0.0107 -0.0009 -0.0142 -0.0018 -0.0094 -0.0002 -0.0064 -0.0001 -0.0059 -0.0002 -0.0016 0.0002 -0.0031 -0.0001 -0.0003 -0.0087 -0.0013 -0.0021 -0.0025 0.0025 -0.0003 -0.0010 0.0004 ( 61.92%) -0.7869* H 14 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0025 0.0006 -0.0001 -0.0135 0.0016 -0.0007 -0.0041 -0.0006 0.0001 -0.0286 0.0026 -0.0009 -0.0012 -0.0003 -0.0070 -0.0017 -0.0030 -0.0008 0.0000 -0.0004 -0.0077 -0.0022 0.0040 0.0061 0.0020 0.0025 0.0014 0.0005 0.0005 100. (0.00935) BD*( 1) C 5- H 15 ( 37.20%) 0.6099* C 5 s( 31.74%)p 2.15( 68.17%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5633 0.0020 0.0004 0.0010 -0.0003 0.0000 -0.8182 -0.0084 -0.0101 0.0050 -0.0603 0.0092 0.0014 0.0007 0.0912 -0.0010 0.0010 -0.0006 0.0077 -0.0022 0.0002 0.0002 0.0024 0.0001 -0.0016 -0.0002 0.0007 -0.0103 -0.0119 0.0016 0.0029 0.0057 0.0016 -0.0024 -0.0003 0.0102 0.0015 -0.0001 -0.0001 0.0051 0.0004 -0.0001 0.0001 -0.0176 -0.0012 -0.0055 0.0002 -0.0060 -0.0033 -0.0016 0.0052 0.0002 0.0014 0.0010 -0.0036 -0.0005 ( 62.80%) -0.7925* H 15 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 -0.0040 0.0014 0.0000 -0.0307 0.0025 -0.0006 -0.0020 -0.0020 0.0002 0.0024 -0.0004 0.0000 -0.0011 -0.0002 0.0020 0.0006 0.0010 0.0000 -0.0085 -0.0027 0.0063 0.0014 0.0011 -0.0044 -0.0001 -0.0015 0.0001 0.0068 0.0003 101. (0.00685) BD*( 1) C 6- C 7 ( 50.15%) 0.7081* C 6 s( 33.24%)p 2.00( 66.55%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5765 0.0049 0.0003 0.0004 -0.0001 0.0000 -0.3251 -0.0006 0.0011 -0.0013 0.0628 0.0241 0.0097 0.0000 -0.7444 0.0340 -0.0014 -0.0021 -0.0202 0.0002 0.0023 0.0160 0.0075 -0.0001 -0.0200 -0.0017 0.0003 0.0004 0.0026 -0.0001 0.0144 0.0103 0.0002 -0.0107 -0.0003 -0.0148 -0.0016 0.0073 0.0010 0.0000 -0.0007 0.0062 0.0006 0.0013 -0.0006 0.0056 -0.0002 0.0014 0.0088 -0.0068 0.0029 -0.0015 0.0020 0.0021 -0.0025 0.0005 ( 49.85%) -0.7061* C 7 s( 33.28%)p 2.00( 66.52%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5768 0.0030 0.0010 0.0004 -0.0001 0.0000 0.2744 -0.0206 0.0032 0.0002 -0.3501 0.0314 0.0088 -0.0014 0.6825 -0.0069 0.0045 0.0026 -0.0082 -0.0028 0.0012 0.0149 0.0057 0.0006 0.0031 -0.0093 -0.0012 0.0044 0.0004 -0.0002 0.0306 0.0059 -0.0014 0.0087 0.0010 0.0130 0.0011 -0.0083 -0.0015 0.0029 0.0001 -0.0111 0.0001 -0.0026 -0.0001 0.0014 -0.0001 -0.0029 0.0069 -0.0063 -0.0001 -0.0069 0.0027 0.0011 -0.0007 -0.0001 102. (0.00685) BD*( 1) C 6- C 10 ( 50.21%) 0.7086* C 6 s( 33.12%)p 2.01( 66.67%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5755 0.0051 0.0003 0.0004 -0.0001 0.0000 -0.3829 0.0025 0.0012 -0.0014 0.3305 0.0097 0.0095 0.0007 0.6395 -0.0407 -0.0022 0.0017 -0.0268 -0.0031 0.0021 -0.0081 -0.0080 -0.0008 0.0211 0.0080 0.0001 -0.0070 0.0013 0.0000 -0.0016 0.0057 0.0003 -0.0007 -0.0009 -0.0101 -0.0007 0.0089 0.0008 -0.0064 0.0003 -0.0131 -0.0017 0.0063 -0.0001 0.0051 0.0001 -0.0075 -0.0029 0.0026 0.0003 -0.0086 0.0015 -0.0013 -0.0015 0.0003 ( 49.79%) -0.7057* C 10 s( 33.26%)p 2.00( 66.54%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5767 0.0032 0.0010 0.0004 -0.0001 0.0000 0.3225 -0.0211 0.0038 0.0004 -0.5760 0.0306 0.0065 -0.0024 -0.4775 -0.0069 -0.0072 -0.0017 -0.0147 -0.0056 0.0009 -0.0146 -0.0045 -0.0008 0.0161 0.0101 0.0000 0.0033 -0.0031 -0.0004 0.0240 -0.0014 -0.0019 0.0028 0.0008 0.0050 0.0009 -0.0097 -0.0014 0.0014 0.0008 0.0154 0.0007 -0.0090 -0.0003 -0.0004 0.0000 -0.0061 0.0019 -0.0030 -0.0005 -0.0092 0.0042 -0.0007 -0.0003 0.0003 103. (0.00702) BD*( 1) C 6- H 16 ( 37.66%) 0.6137* C 6 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5596 0.0035 -0.0004 0.0007 -0.0001 0.0000 -0.5607 -0.0129 -0.0091 0.0032 0.5932 0.0013 0.0051 -0.0039 -0.1386 -0.0008 -0.0013 0.0009 0.0109 0.0108 -0.0014 -0.0027 -0.0025 0.0002 -0.0004 0.0026 0.0005 -0.0093 0.0010 0.0000 0.0026 0.0055 0.0014 0.0038 0.0006 0.0064 0.0012 -0.0059 -0.0009 -0.0002 0.0000 0.0069 0.0006 0.0152 0.0005 0.0108 0.0010 -0.0053 0.0029 -0.0043 0.0003 -0.0043 0.0020 0.0014 0.0036 0.0004 ( 62.34%) -0.7896* H 16 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0013 0.0013 0.0000 -0.0234 0.0037 -0.0010 0.0223 -0.0014 0.0005 -0.0054 0.0004 -0.0001 0.0089 0.0025 -0.0022 -0.0006 0.0025 0.0005 0.0005 0.0000 0.0059 0.0012 -0.0017 -0.0030 0.0027 0.0003 -0.0024 -0.0039 -0.0051 104. (0.00749) BD*( 1) C 7- C 8 ( 50.27%) 0.7090* C 7 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0069 0.0004 0.0004 -0.0001 0.0000 -0.6411 0.0263 0.0039 -0.0021 0.5044 -0.0156 0.0077 0.0011 0.0327 0.0288 0.0054 0.0005 -0.0298 -0.0102 0.0012 -0.0098 -0.0012 0.0005 0.0161 -0.0022 -0.0006 -0.0110 0.0028 0.0004 -0.0024 -0.0071 -0.0017 0.0000 -0.0011 0.0047 0.0008 -0.0096 -0.0009 -0.0030 0.0004 -0.0059 -0.0006 0.0130 0.0006 0.0122 0.0009 0.0087 0.0026 -0.0010 -0.0009 0.0062 0.0012 0.0017 -0.0046 0.0002 ( 49.73%) -0.7052* C 8 s( 33.20%)p 2.01( 66.58%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5762 0.0054 0.0006 0.0004 -0.0002 0.0000 0.4249 -0.0047 0.0084 0.0012 -0.6660 0.0208 0.0027 -0.0025 -0.2001 0.0340 0.0042 -0.0003 -0.0348 -0.0084 0.0018 0.0047 -0.0051 -0.0008 -0.0040 0.0041 0.0009 0.0057 -0.0049 -0.0001 -0.0082 -0.0053 -0.0012 0.0070 0.0000 -0.0085 -0.0011 0.0032 0.0013 0.0017 -0.0003 0.0046 0.0006 -0.0151 -0.0012 -0.0100 -0.0002 0.0057 0.0058 -0.0061 0.0024 0.0035 0.0029 0.0013 -0.0041 0.0015 105. (0.00765) BD*( 1) C 7- H 17 ( 38.09%) 0.6172* C 7 s( 31.13%)p 2.21( 68.78%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5579 0.0015 0.0007 0.0007 -0.0002 0.0000 -0.1846 -0.0050 -0.0045 0.0011 0.3531 -0.0011 0.0019 -0.0022 0.7272 0.0068 0.0082 -0.0045 0.0062 0.0022 -0.0018 0.0085 0.0040 0.0005 -0.0011 -0.0087 -0.0001 -0.0031 0.0016 0.0000 -0.0099 -0.0084 0.0007 0.0092 0.0006 -0.0065 -0.0012 0.0160 0.0014 -0.0045 -0.0001 -0.0087 -0.0003 0.0041 0.0000 -0.0002 -0.0002 0.0012 0.0055 -0.0064 0.0020 0.0036 0.0012 0.0020 0.0007 0.0004 ( 61.91%) -0.7868* H 17 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0024 0.0003 -0.0001 -0.0082 0.0012 -0.0003 0.0122 -0.0012 0.0005 0.0291 -0.0016 0.0012 0.0006 0.0006 0.0043 0.0010 -0.0074 -0.0018 0.0013 0.0003 -0.0073 -0.0020 -0.0033 0.0036 -0.0054 0.0011 0.0032 -0.0008 -0.0003 106. (0.00869) BD*( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5720 -0.0059 -0.0006 -0.0004 0.0003 0.0000 0.2030 -0.0273 -0.0097 0.0006 -0.1291 0.0235 -0.0020 0.0004 -0.7816 0.0193 -0.0035 -0.0027 0.0091 -0.0004 -0.0015 -0.0139 0.0064 0.0012 -0.0053 -0.0036 -0.0007 0.0016 0.0017 -0.0006 -0.0326 -0.0100 0.0008 -0.0181 -0.0019 0.0022 0.0006 -0.0102 -0.0002 0.0015 0.0001 0.0052 -0.0007 0.0039 -0.0002 -0.0028 -0.0002 -0.0066 0.0056 -0.0073 -0.0002 -0.0015 0.0024 0.0029 0.0021 -0.0004 ( 50.00%) -0.7071* C 9 s( 32.75%)p 2.05( 67.03%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5723 -0.0057 -0.0007 -0.0004 0.0003 0.0000 0.1356 -0.0246 -0.0102 0.0005 0.1746 0.0146 -0.0007 0.0014 0.7872 -0.0286 0.0030 0.0025 0.0151 -0.0025 -0.0020 0.0146 -0.0043 -0.0006 -0.0134 -0.0033 0.0006 0.0021 0.0019 -0.0007 -0.0277 -0.0111 0.0002 0.0191 0.0014 0.0003 -0.0002 0.0086 0.0014 0.0006 -0.0005 -0.0022 0.0005 0.0054 -0.0005 -0.0022 -0.0004 -0.0091 0.0002 -0.0051 0.0006 -0.0051 0.0013 -0.0012 0.0033 -0.0006 107. (0.00760) BD*( 1) C 8- H 18 ( 38.77%) 0.6227* C 8 s( 30.67%)p 2.26( 69.24%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5538 0.0017 0.0001 0.0007 -0.0004 0.0000 0.4716 0.0001 0.0038 -0.0026 -0.3547 -0.0072 -0.0058 0.0020 0.5865 0.0052 0.0079 -0.0034 0.0085 0.0046 -0.0014 -0.0023 -0.0093 -0.0002 0.0089 0.0063 0.0008 0.0050 -0.0016 -0.0002 -0.0054 -0.0030 0.0009 -0.0021 -0.0007 0.0114 0.0011 -0.0067 -0.0011 0.0034 0.0000 -0.0142 -0.0012 -0.0034 0.0001 -0.0080 -0.0003 0.0059 -0.0001 0.0009 -0.0003 0.0072 -0.0003 0.0020 0.0003 0.0000 ( 61.23%) -0.7825* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0013 0.0013 -0.0001 0.0177 -0.0014 0.0009 -0.0166 0.0004 -0.0008 0.0236 -0.0021 0.0012 0.0038 0.0013 -0.0078 -0.0019 0.0068 0.0015 -0.0012 -0.0002 -0.0023 -0.0008 0.0010 -0.0039 0.0033 -0.0007 0.0055 0.0014 0.0020 108. (0.00767) BD*( 1) C 9- C 10 ( 49.76%) 0.7054* C 9 s( 33.13%)p 2.01( 66.65%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5756 -0.0056 -0.0006 -0.0004 0.0002 0.0000 -0.3919 0.0018 -0.0088 -0.0010 0.5393 -0.0065 -0.0012 0.0021 -0.4694 0.0393 0.0045 -0.0013 0.0339 0.0053 -0.0020 -0.0108 -0.0077 -0.0002 0.0024 0.0084 0.0012 -0.0057 0.0033 -0.0004 0.0082 0.0001 0.0003 0.0070 0.0012 0.0006 0.0003 0.0055 -0.0005 -0.0029 0.0003 0.0146 0.0017 0.0104 0.0007 0.0087 0.0001 0.0053 0.0048 -0.0062 0.0020 0.0057 0.0028 0.0028 0.0026 0.0002 ( 50.24%) -0.7088* C 10 s( 32.89%)p 2.03( 66.89%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5735 -0.0071 -0.0002 -0.0005 0.0000 0.0000 0.6331 -0.0282 -0.0045 0.0021 -0.4406 0.0247 -0.0052 -0.0008 0.2684 0.0180 0.0076 0.0010 0.0228 0.0089 -0.0009 -0.0188 -0.0063 0.0007 0.0185 0.0025 0.0004 0.0057 -0.0028 -0.0004 -0.0120 0.0065 0.0019 -0.0067 -0.0015 0.0023 0.0002 0.0028 -0.0003 -0.0020 0.0006 -0.0141 -0.0012 -0.0075 -0.0002 -0.0125 -0.0007 -0.0011 0.0066 -0.0072 0.0021 0.0016 0.0032 0.0051 0.0024 0.0010 109. (0.00762) BD*( 1) C 9- H 19 ( 38.79%) 0.6228* C 9 s( 30.65%)p 2.26( 69.25%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5537 0.0015 0.0001 0.0007 -0.0004 0.0000 0.5111 0.0002 0.0046 -0.0029 -0.5421 -0.0085 -0.0082 0.0031 -0.3704 -0.0017 -0.0048 0.0021 0.0097 0.0082 -0.0012 -0.0006 0.0068 0.0005 -0.0071 -0.0063 -0.0001 0.0088 0.0002 0.0000 0.0003 0.0028 0.0012 0.0072 0.0012 0.0009 0.0000 -0.0001 0.0003 0.0018 0.0003 0.0144 0.0015 -0.0105 -0.0006 -0.0097 -0.0003 0.0016 -0.0056 0.0055 -0.0006 0.0024 -0.0034 -0.0024 0.0017 -0.0008 ( 61.21%) -0.7824* H 19 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0013 0.0014 -0.0001 0.0188 -0.0017 0.0010 -0.0240 0.0012 -0.0012 -0.0141 0.0014 -0.0006 0.0070 0.0021 0.0056 0.0013 -0.0060 -0.0015 0.0009 0.0003 0.0031 0.0005 -0.0032 0.0000 0.0000 -0.0011 -0.0054 0.0042 0.0024 110. (0.00748) BD*( 1) C 10- H 20 ( 38.16%) 0.6177* C 10 s( 31.09%)p 2.21( 68.81%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5576 0.0015 0.0006 0.0008 -0.0002 0.0000 -0.1218 -0.0044 -0.0037 0.0007 0.0521 -0.0036 -0.0013 -0.0003 -0.8188 -0.0056 -0.0088 0.0050 0.0028 0.0004 -0.0019 -0.0092 -0.0030 0.0002 -0.0063 0.0016 0.0004 -0.0016 -0.0001 -0.0001 -0.0091 -0.0127 0.0005 -0.0205 -0.0016 -0.0070 -0.0009 0.0026 0.0002 -0.0007 -0.0001 0.0042 -0.0005 0.0010 0.0001 -0.0002 -0.0002 -0.0071 -0.0045 0.0025 -0.0009 -0.0034 -0.0011 -0.0010 0.0017 -0.0003 ( 61.84%) -0.7864* H 20 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0023 0.0000 -0.0001 -0.0062 0.0008 -0.0003 0.0003 -0.0005 0.0000 -0.0322 0.0019 -0.0014 -0.0012 0.0001 -0.0028 -0.0008 0.0013 0.0002 -0.0003 0.0000 -0.0109 -0.0028 0.0071 0.0036 -0.0003 0.0005 -0.0005 0.0000 -0.0001 111. (0.02955) BD*( 1) S 21- S 22 ( 53.83%) 0.7337* S 21 s( 9.23%)p 9.69( 89.45%)d 0.13( 1.20%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3001 -0.0474 -0.0014 -0.0005 -0.0003 0.0000 0.0000 0.0000 -0.8084 -0.0474 -0.0005 -0.0014 0.0000 0.0000 -0.4884 -0.0073 0.0032 -0.0019 0.0001 0.0000 0.0054 0.0086 0.0012 -0.0007 0.0001 -0.0838 -0.0088 -0.0010 0.0000 -0.0337 0.0102 -0.0009 -0.0001 -0.0204 0.0078 -0.0008 0.0001 -0.0201 -0.0218 -0.0001 0.0001 0.0467 0.0113 0.0002 0.0001 -0.0005 0.0013 0.0155 0.0020 0.0093 0.0007 0.0045 -0.0019 -0.0055 0.0002 -0.0041 0.0003 -0.0262 -0.0025 -0.0032 0.0010 0.0002 0.0034 0.0033 -0.0006 0.0001 0.0027 -0.0065 ( 46.17%) -0.6795* S 22 s( 14.08%)p 6.00( 84.53%)d 0.09( 1.23%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 -0.3723 -0.0471 0.0006 0.0000 -0.0001 0.0000 0.0000 0.0000 0.7912 0.0289 -0.0052 0.0004 -0.0001 0.0000 0.4649 0.0231 0.0015 -0.0005 0.0000 0.0000 -0.0032 0.0416 0.0077 -0.0004 0.0001 -0.0760 -0.0032 0.0028 -0.0002 0.0109 -0.0065 -0.0004 0.0002 0.0029 -0.0033 -0.0007 0.0001 -0.0594 0.0068 -0.0003 -0.0002 0.0524 0.0027 -0.0012 0.0001 -0.0033 0.0000 -0.0173 0.0012 -0.0083 0.0001 0.0036 0.0006 0.0034 -0.0005 0.0040 -0.0004 0.0315 -0.0019 -0.0044 0.0019 0.0009 0.0040 0.0053 0.0001 -0.0019 0.0039 -0.0084 112. (0.05449) BD*( 1) S 21-Sc 26 ( 13.23%) 0.3637* S 21 s( 41.05%)p 1.43( 58.58%)d 0.01( 0.34%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.6404 0.0189 0.0021 -0.0002 -0.0002 0.0000 0.0000 0.0000 0.4725 -0.0007 -0.0071 -0.0005 0.0001 0.0000 -0.4020 0.0067 0.0035 0.0018 0.0000 0.0000 -0.4481 0.0078 0.0072 0.0008 0.0000 0.0286 -0.0045 -0.0004 0.0001 0.0309 -0.0095 -0.0008 0.0001 -0.0361 0.0090 0.0012 0.0000 0.0072 0.0005 0.0003 0.0000 -0.0110 0.0008 -0.0003 -0.0001 0.0089 -0.0014 0.0048 -0.0013 -0.0036 0.0003 -0.0050 0.0006 0.0063 -0.0011 0.0055 -0.0005 -0.0053 0.0011 0.0013 0.0002 0.0001 -0.0007 0.0015 -0.0004 -0.0019 0.0010 0.0008 ( 86.77%) -0.9315*Sc 26 s( 25.33%)p 0.00( 0.11%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 -0.5028 -0.0232 0.0053 0.0012 0.0009 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.0058 -0.0146 0.0063 0.0001 0.0000 0.0000 0.0017 0.0106 -0.0036 -0.0010 0.0000 0.0000 0.0057 0.0205 -0.0128 0.0049 0.4049 0.0160 -0.0015 0.0014 -0.0013 0.6227 0.0275 0.0011 0.0063 -0.0012 -0.3006 -0.0437 -0.0076 0.0011 0.0010 -0.2284 0.0192 0.0042 -0.0011 0.0002 -0.2142 -0.0149 0.0077 0.0005 -0.0012 -0.0172 -0.0003 -0.0019 0.0131 -0.0053 -0.0009 -0.0118 0.0060 -0.0012 0.0083 0.0027 0.0006 -0.0014 -0.0039 -0.0011 -0.0067 -0.0003 -0.0001 -0.0048 0.0001 0.0025 0.0088 0.0047 -0.0172 0.0002 -0.0010 -0.0002 -0.0071 0.0008 0.0094 0.0035 0.0049 0.0017 -0.0159 -0.0034 -0.0059 -0.0008 -0.0021 0.0007 113. (0.09700) BD*( 2) S 21-Sc 26 ( 5.50%) 0.2344* S 21 s( 0.00%)p 1.00( 99.76%)d 0.00( 0.20%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.0021 0.0036 -0.0001 0.0001 -0.0001 0.0000 0.0000 0.0000 -0.3156 0.0011 -0.0036 0.0003 0.0000 0.0000 0.5175 -0.0050 0.0030 -0.0011 0.0000 0.0000 -0.7938 0.0061 -0.0034 0.0007 0.0000 -0.0104 0.0031 -0.0005 0.0001 -0.0172 0.0003 0.0005 0.0001 -0.0212 0.0028 0.0005 0.0000 -0.0225 0.0030 0.0007 0.0000 -0.0227 0.0075 0.0003 -0.0002 0.0024 0.0008 0.0078 -0.0009 -0.0069 0.0012 -0.0074 0.0006 -0.0116 0.0008 -0.0079 0.0002 0.0022 -0.0005 0.0000 0.0023 -0.0002 -0.0001 0.0005 0.0004 -0.0011 -0.0013 -0.0008 ( 94.50%) -0.9721*Sc 26 s( 0.42%)p 2.22( 0.93%)d99.99( 96.91%) f 1.73( 0.72%)g 2.44( 1.02%) 0.0000 0.0000 0.0000 -0.0639 0.0093 0.0040 -0.0002 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0276 -0.0010 0.0091 -0.0091 0.0000 0.0000 0.0063 0.0053 -0.0006 0.0010 0.0000 0.0000 -0.0780 0.0111 0.0408 -0.0212 0.3569 -0.0235 -0.0143 -0.0023 0.0003 -0.2473 0.0945 -0.0153 -0.0029 -0.0006 -0.4715 0.0827 0.0231 -0.0033 -0.0030 0.0184 -0.0071 -0.0031 0.0006 -0.0006 0.7302 -0.0761 -0.0389 0.0020 0.0013 0.0516 -0.0223 0.0069 -0.0280 0.0071 -0.0031 0.0231 -0.0108 0.0034 0.0207 0.0001 -0.0007 0.0359 -0.0148 0.0030 -0.0231 0.0023 -0.0011 0.0039 0.0035 -0.0002 0.0192 -0.0029 0.0651 -0.0090 -0.0489 0.0071 0.0142 -0.0010 0.0302 -0.0034 0.0325 -0.0063 0.0225 -0.0025 -0.0173 0.0004 0.0048 -0.0020 114. (0.06882) BD*( 1) S 22- S 23 ( 50.58%) 0.7112* S 22 s( 12.00%)p 7.22( 86.65%)d 0.10( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3435 0.0444 0.0015 0.0003 0.0000 0.0000 0.0000 0.0000 0.3103 0.0484 0.0042 0.0003 0.0001 0.0000 -0.2605 0.0009 0.0015 0.0000 0.0001 0.0000 0.8361 0.0323 -0.0007 0.0006 -0.0001 -0.0169 -0.0041 0.0005 -0.0001 0.0528 0.0045 0.0007 0.0000 -0.0436 -0.0006 0.0015 -0.0002 0.0052 -0.0017 0.0007 0.0000 0.0854 0.0006 -0.0007 0.0001 0.0113 0.0013 0.0222 0.0003 -0.0154 0.0000 0.0097 -0.0008 -0.0069 -0.0005 0.0035 -0.0006 -0.0020 0.0004 0.0010 0.0078 -0.0033 0.0032 -0.0041 0.0000 -0.0033 -0.0006 -0.0015 ( 49.42%) -0.7030* S 23 s( 11.83%)p 7.33( 86.77%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3409 0.0458 0.0005 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4398 0.0017 0.0036 -0.0004 0.0001 0.0000 0.2898 0.0035 -0.0027 0.0000 -0.0001 0.0000 -0.7664 0.0532 -0.0017 -0.0007 0.0000 -0.0290 0.0028 0.0013 -0.0001 0.0798 0.0031 -0.0012 0.0002 -0.0472 -0.0023 0.0014 -0.0002 0.0190 -0.0012 -0.0002 0.0000 0.0534 0.0029 0.0005 0.0001 -0.0149 0.0013 -0.0219 -0.0001 0.0106 -0.0004 -0.0087 0.0000 0.0140 0.0000 0.0002 -0.0003 0.0065 -0.0006 0.0006 0.0076 -0.0047 0.0035 -0.0041 0.0002 -0.0025 -0.0003 -0.0008 115. (0.06992) BD*( 1) S 23- S 24 ( 49.49%) 0.7035* S 23 s( 11.79%)p 7.36( 86.82%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3404 -0.0457 -0.0004 -0.0002 0.0000 0.0000 0.0000 0.0000 0.4545 -0.0029 -0.0037 0.0003 -0.0001 0.0000 -0.5386 0.0150 0.0020 -0.0001 0.0001 0.0000 -0.6071 0.0509 -0.0027 -0.0005 0.0000 0.0566 -0.0016 -0.0017 0.0002 0.0654 0.0039 -0.0006 0.0001 -0.0707 -0.0028 0.0009 -0.0002 0.0013 0.0021 -0.0002 0.0000 -0.0124 -0.0011 -0.0012 0.0001 0.0003 0.0006 0.0118 0.0000 -0.0186 0.0011 0.0032 -0.0007 0.0223 0.0001 -0.0084 0.0003 -0.0084 0.0005 0.0048 0.0027 -0.0024 0.0015 0.0071 -0.0041 -0.0028 0.0019 -0.0001 ( 50.51%) -0.7107* S 24 s( 12.01%)p 7.22( 86.66%)d 0.10( 1.22%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3437 -0.0442 -0.0018 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.3300 -0.0489 -0.0039 -0.0002 -0.0001 0.0000 0.5350 0.0092 -0.0018 0.0002 -0.0001 0.0000 0.6841 0.0296 -0.0002 0.0006 -0.0001 0.0360 0.0055 -0.0002 0.0001 0.0457 0.0031 0.0008 0.0000 -0.0817 -0.0002 0.0013 -0.0002 0.0164 0.0017 -0.0012 0.0001 -0.0423 -0.0001 -0.0003 0.0000 -0.0066 0.0010 -0.0151 -0.0001 0.0192 0.0006 -0.0020 -0.0007 -0.0187 -0.0002 0.0022 0.0009 0.0039 -0.0007 0.0032 0.0030 -0.0021 0.0014 0.0070 -0.0044 -0.0034 0.0023 0.0007 116. (0.02880) BD*( 1) S 24- S 25 ( 46.27%) 0.6802* S 24 s( 13.96%)p 6.06( 84.66%)d 0.09( 1.22%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3709 0.0457 -0.0007 0.0001 0.0001 0.0000 0.0000 0.0000 -0.7761 -0.0269 0.0058 -0.0004 0.0001 0.0000 -0.4625 -0.0091 0.0006 0.0002 0.0001 0.0000 0.1646 0.0482 0.0075 -0.0006 0.0001 0.0776 0.0010 -0.0028 0.0003 -0.0167 -0.0079 0.0007 0.0001 -0.0099 -0.0064 0.0003 0.0000 0.0556 -0.0058 0.0006 0.0002 -0.0505 0.0007 0.0014 -0.0002 -0.0103 0.0000 0.0130 -0.0010 0.0075 -0.0001 0.0117 -0.0001 0.0113 -0.0010 -0.0045 0.0006 -0.0279 0.0020 0.0024 0.0051 0.0026 -0.0024 -0.0029 -0.0007 -0.0061 -0.0029 0.0078 ( 53.73%) -0.7330* S 25 s( 9.16%)p 9.77( 89.49%)d 0.13( 1.23%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.2992 0.0454 0.0013 0.0005 0.0003 0.0000 0.0000 0.0000 0.7958 0.0463 0.0009 0.0013 0.0000 0.0000 0.4821 0.0104 -0.0027 0.0015 0.0000 0.0000 -0.1639 0.0046 0.0022 -0.0012 0.0001 0.0698 0.0127 0.0006 0.0000 -0.0611 0.0060 -0.0012 0.0000 -0.0380 0.0065 -0.0007 -0.0001 0.0244 0.0190 0.0003 -0.0002 -0.0293 -0.0154 0.0003 -0.0001 0.0068 0.0017 -0.0105 -0.0017 -0.0062 -0.0005 -0.0021 -0.0024 -0.0116 -0.0008 0.0051 -0.0003 0.0264 0.0015 0.0024 0.0033 0.0013 -0.0027 -0.0024 -0.0014 -0.0034 -0.0026 0.0057 117. (0.05468) BD*( 1) S 25-Sc 26 ( 13.26%) 0.3642* S 25 s( 40.97%)p 1.43( 58.66%)d 0.01( 0.36%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.6398 0.0178 0.0023 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.4776 -0.0005 -0.0072 -0.0005 0.0001 0.0000 -0.2092 0.0039 0.0011 0.0013 0.0000 0.0000 0.5608 -0.0097 -0.0080 -0.0013 0.0000 0.0174 -0.0011 -0.0001 0.0000 -0.0395 0.0102 0.0008 -0.0001 0.0248 -0.0063 -0.0009 0.0000 -0.0043 0.0030 0.0006 0.0000 -0.0296 0.0053 0.0004 -0.0001 -0.0045 0.0009 0.0066 -0.0016 -0.0057 0.0008 0.0089 -0.0013 -0.0005 0.0001 0.0066 -0.0007 -0.0018 0.0006 0.0012 -0.0011 0.0003 -0.0019 0.0008 -0.0008 0.0014 0.0001 0.0007 ( 86.74%) -0.9313*Sc 26 s( 25.34%)p 0.00( 0.10%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 -0.5028 -0.0232 0.0051 0.0007 0.0011 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0052 -0.0146 0.0061 -0.0004 0.0000 0.0000 -0.0001 0.0041 -0.0001 -0.0028 0.0000 0.0000 -0.0043 -0.0235 0.0123 -0.0038 0.2056 0.0056 -0.0031 -0.0004 -0.0008 -0.7099 -0.0359 -0.0005 -0.0065 0.0015 0.0881 0.0334 0.0117 -0.0011 -0.0013 -0.2801 0.0055 0.0013 -0.0011 0.0003 -0.3274 -0.0386 0.0018 0.0010 -0.0004 0.0211 -0.0029 0.0020 0.0107 -0.0069 -0.0012 -0.0022 0.0023 0.0001 -0.0033 -0.0050 -0.0012 0.0032 0.0012 0.0004 -0.0080 -0.0011 -0.0006 -0.0076 -0.0016 0.0021 0.0079 0.0027 0.0076 -0.0020 0.0020 0.0032 -0.0158 -0.0027 0.0138 0.0007 -0.0120 -0.0035 0.0046 0.0017 -0.0098 -0.0019 -0.0070 -0.0007 118. (0.09712) BD*( 2) S 25-Sc 26 ( 5.47%) 0.2340* S 25 s( 0.01%)p 1.00( 99.75%)d 0.00( 0.21%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0076 0.0029 -0.0003 0.0002 -0.0001 0.0000 0.0000 0.0000 -0.3354 0.0012 -0.0036 0.0004 0.0000 0.0000 0.7464 -0.0067 0.0038 -0.0013 0.0000 0.0000 0.5725 -0.0039 0.0024 -0.0002 0.0000 -0.0054 0.0028 -0.0006 0.0000 0.0207 -0.0015 -0.0003 -0.0001 -0.0020 0.0024 0.0001 -0.0001 -0.0269 0.0030 0.0009 0.0000 -0.0287 0.0071 0.0006 -0.0002 0.0021 -0.0014 0.0015 -0.0004 -0.0029 -0.0001 0.0080 -0.0006 0.0099 -0.0010 -0.0123 0.0006 0.0045 -0.0007 0.0000 -0.0019 -0.0001 -0.0005 -0.0012 0.0003 0.0001 -0.0016 -0.0011 ( 94.53%) -0.9722*Sc 26 s( 0.35%)p 2.73( 0.95%)d99.99( 96.88%) f 2.17( 0.75%)g 3.07( 1.07%) 0.0000 0.0000 0.0000 -0.0573 0.0129 0.0040 0.0028 -0.0007 -0.0007 0.0000 0.0000 0.0000 0.0000 -0.0320 0.0010 0.0090 -0.0063 0.0000 0.0000 0.0301 0.0012 -0.0118 0.0082 0.0000 0.0000 0.0725 -0.0120 -0.0384 0.0192 0.3880 -0.0475 -0.0013 -0.0030 -0.0001 0.1316 -0.0827 0.0194 0.0035 0.0003 0.7638 -0.1110 -0.0405 0.0041 0.0027 -0.1825 0.0280 0.0063 -0.0006 -0.0011 0.3985 -0.0251 -0.0229 0.0008 -0.0005 -0.0518 0.0230 -0.0075 -0.0068 -0.0013 -0.0012 -0.0250 0.0094 -0.0024 -0.0221 -0.0014 0.0006 -0.0520 0.0161 -0.0040 -0.0019 -0.0034 0.0003 -0.0016 0.0041 -0.0003 -0.0359 0.0039 -0.0596 0.0084 0.0444 -0.0057 -0.0082 0.0022 -0.0445 0.0056 -0.0286 0.0058 -0.0270 0.0027 -0.0068 -0.0011 -0.0058 0.0020 119. (0.07924) 3C*( 1) C 1- C 4- C 5 ( 27.03%) 0.5199* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 -0.1563 0.0291 -0.0007 -0.0011 0.0004 0.0000 -0.0268 -0.0004 -0.0122 -0.0026 0.9594 0.0094 -0.0047 -0.0006 -0.2197 -0.0266 -0.0017 -0.0027 -0.0061 0.0201 0.0005 -0.0058 0.0014 -0.0019 0.0525 0.0009 0.0016 0.0090 -0.0091 0.0009 -0.0056 -0.0047 -0.0006 0.0013 -0.0013 -0.0022 -0.0015 0.0236 0.0011 -0.0059 -0.0022 -0.0082 0.0035 0.0003 -0.0006 0.0097 0.0018 0.0039 -0.0025 -0.0054 -0.0013 0.0050 -0.0015 0.0053 -0.0021 -0.0039 ( 28.33%) -0.5323* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1509 -0.0282 0.0006 0.0010 -0.0005 0.0000 0.0223 -0.0060 0.0123 0.0023 -0.9816 -0.0172 0.0030 -0.0002 0.0834 -0.0230 -0.0050 -0.0034 0.0135 -0.0177 -0.0007 -0.0083 0.0068 -0.0014 0.0419 0.0087 0.0017 -0.0259 0.0086 -0.0019 -0.0190 0.0007 0.0002 0.0135 0.0003 0.0099 -0.0002 -0.0131 -0.0032 0.0100 -0.0001 -0.0078 0.0032 0.0037 -0.0010 -0.0111 -0.0014 0.0010 0.0014 -0.0021 0.0016 -0.0092 0.0012 0.0025 -0.0001 0.0049 ( 44.64%) 0.6681* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 0.1491 -0.0270 -0.0017 0.0008 -0.0004 0.0000 -0.0128 -0.0305 0.0031 -0.0018 -0.9725 -0.0301 0.0093 -0.0012 0.1604 0.0074 -0.0014 0.0002 0.0416 -0.0002 -0.0001 -0.0070 0.0000 0.0000 -0.0114 0.0024 -0.0006 -0.0219 0.0088 -0.0018 -0.0096 0.0031 -0.0008 0.0033 0.0009 -0.0050 -0.0006 -0.0051 -0.0018 0.0034 0.0008 0.0028 -0.0004 0.0109 -0.0008 -0.0209 -0.0014 0.0010 -0.0039 -0.0017 0.0010 0.0100 -0.0021 0.0032 0.0005 -0.0044 120. (0.07800) 3C*( 1) C 6- C 7- C 10 ( 45.22%) 0.6725* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 0.1438 -0.0226 -0.0047 0.0008 -0.0003 0.0000 0.6559 -0.0046 -0.0060 -0.0004 0.7283 0.0420 -0.0090 0.0020 -0.1134 -0.0081 0.0015 -0.0003 0.0173 -0.0076 0.0013 -0.0046 0.0015 -0.0003 -0.0107 0.0006 -0.0001 -0.0434 0.0014 -0.0003 -0.0078 0.0016 -0.0002 -0.0034 -0.0009 0.0013 0.0008 0.0072 0.0019 0.0034 -0.0005 0.0012 0.0005 0.0102 0.0016 -0.0218 -0.0003 0.0013 -0.0002 -0.0043 -0.0097 -0.0017 0.0028 -0.0040 0.0003 -0.0044 ( 27.73%) -0.5266* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1551 -0.0273 -0.0006 0.0009 -0.0006 0.0000 0.6889 0.0039 0.0049 0.0020 0.7022 0.0170 -0.0124 -0.0017 -0.0477 0.0224 0.0071 0.0041 0.0221 -0.0071 0.0017 0.0340 0.0023 0.0021 0.0257 0.0111 0.0003 -0.0173 0.0178 0.0005 -0.0152 0.0012 0.0005 -0.0110 0.0002 0.0170 0.0026 0.0036 0.0026 -0.0101 0.0030 0.0085 -0.0001 0.0064 0.0016 -0.0112 -0.0001 0.0007 -0.0011 -0.0004 0.0097 -0.0010 0.0013 0.0003 -0.0011 0.0049 ( 27.04%) 0.5200* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 -0.1586 0.0288 0.0005 -0.0009 0.0005 0.0000 -0.6892 -0.0069 -0.0054 -0.0021 -0.6826 -0.0080 0.0143 0.0030 0.1665 0.0260 0.0019 0.0030 -0.0114 0.0069 -0.0008 0.0402 -0.0012 0.0025 0.0334 0.0022 -0.0003 0.0024 -0.0201 -0.0007 0.0005 -0.0055 -0.0001 -0.0044 0.0010 -0.0177 -0.0017 -0.0168 0.0000 -0.0059 0.0035 -0.0035 -0.0019 -0.0067 -0.0014 0.0064 0.0018 0.0033 -0.0036 -0.0055 -0.0038 0.0013 0.0040 -0.0049 0.0023 -0.0030 121. (0.00201) RY ( 1) C 1 s( 2.23%)p33.34( 74.40%)d 9.90( 22.09%) f 0.50( 1.11%)g 0.07( 0.16%) 0.0000 0.0083 0.1397 0.0477 0.0194 -0.0091 0.0002 0.0058 0.3046 0.0979 0.0233 -0.0114 0.0869 -0.0467 0.0074 0.0149 -0.7907 0.0758 0.0064 0.0132 -0.1862 -0.0043 0.1074 -0.1234 0.0145 -0.1182 -0.0089 -0.0132 0.2556 -0.1962 0.0220 0.0027 0.1993 0.0288 0.0202 0.0246 -0.0465 0.0015 -0.0557 0.0052 0.0089 0.0051 0.0434 -0.0321 -0.0131 0.0024 0.0401 -0.0047 0.0153 -0.0268 -0.0165 -0.0172 0.0041 0.0032 0.0059 0.0003 0.0049 122. (0.00150) RY ( 2) C 1 s( 0.57%)p99.99( 82.85%)d22.54( 12.74%) f 6.58( 3.72%)g 0.22( 0.12%) 0.0000 0.0066 0.0639 -0.0384 -0.0041 -0.0061 -0.0002 -0.0336 -0.5434 -0.2940 -0.0470 -0.0255 -0.5461 0.0861 -0.0218 0.0087 -0.3526 -0.1111 -0.0054 0.0182 0.2059 0.0089 -0.0275 -0.0918 -0.0340 0.1905 0.0710 0.0203 -0.0110 -0.1135 0.0056 -0.1073 0.0865 -0.0223 0.0837 -0.0150 0.0799 -0.0338 0.0672 0.0171 -0.0442 0.0044 -0.0479 0.0426 -0.0608 0.0199 -0.0849 0.0159 0.0062 0.0029 0.0184 -0.0071 -0.0179 0.0129 -0.0165 0.0035 -0.0024 123. (0.00135) RY ( 3) C 1 s( 0.23%)p99.99( 81.75%)d59.92( 14.04%) f16.49( 3.86%)g 0.51( 0.12%) 0.0000 -0.0002 0.0182 0.0439 0.0069 0.0056 0.0006 -0.0335 -0.7115 0.0025 0.0228 0.0062 0.5328 -0.1239 0.0205 -0.0136 -0.0937 0.0297 -0.0067 0.0062 -0.2083 0.0036 0.0835 -0.0338 0.0078 -0.2397 -0.0455 -0.0293 0.0785 0.0607 0.0021 0.1162 -0.0683 0.0190 0.0026 -0.0001 0.0734 -0.0033 -0.0643 -0.0115 -0.0704 0.0263 0.0381 -0.0247 -0.1312 0.0394 0.0492 -0.0060 0.0058 0.0003 -0.0194 -0.0016 0.0187 -0.0123 0.0157 -0.0034 0.0056 124. (0.00059) RY ( 4) C 1 s( 1.92%)p20.23( 38.76%)d29.45( 56.42%) f 1.45( 2.77%)g 0.07( 0.13%) 0.0000 0.0038 0.1378 -0.0004 0.0123 -0.0028 0.0013 0.0109 0.1107 -0.4259 -0.1130 -0.0228 0.4212 0.0542 0.0015 0.0039 -0.0001 0.0078 -0.0107 0.2120 0.6306 0.0283 -0.1699 0.0265 -0.0575 -0.0977 0.1239 0.0035 0.1525 -0.1935 0.0163 0.0125 0.0415 -0.0150 -0.0034 -0.0063 0.0280 -0.0252 -0.0442 0.0317 -0.0192 -0.0060 -0.0171 0.0933 0.0948 -0.0300 0.0472 -0.0423 0.0066 0.0127 -0.0028 0.0022 0.0024 0.0110 -0.0054 0.0097 -0.0280 125. (0.00037) RY ( 5) C 1 s( 59.72%)p 0.20( 11.97%)d 0.41( 24.69%) f 0.06( 3.38%)g 0.00( 0.24%) 0.0000 -0.0135 0.7457 -0.2019 -0.0037 -0.0124 -0.0002 0.0034 -0.0471 0.0535 0.0482 -0.0074 -0.1716 0.1804 -0.0251 -0.0098 0.2168 0.0388 0.0325 0.0527 -0.1705 0.0083 -0.0221 0.0165 0.0339 -0.1422 0.1247 0.0153 0.2091 -0.1177 0.0250 0.3349 -0.0822 0.0026 -0.0057 0.0020 -0.1257 0.0304 -0.0227 0.0043 -0.0473 -0.0049 -0.0768 -0.0022 0.0696 -0.0130 -0.0541 0.0210 -0.0044 -0.0120 0.0312 0.0124 -0.0242 0.0001 -0.0164 0.0007 0.0160 126. (0.00023) RY ( 6) C 1 s( 0.53%)p23.46( 12.32%)d26.79( 14.07%) f99.99( 70.41%)g 5.10( 2.68%) 0.0000 -0.0025 0.0714 -0.0091 -0.0076 -0.0037 -0.0011 0.0164 0.2037 -0.0318 -0.2716 0.0022 -0.0080 0.0063 -0.0342 0.0004 0.0669 0.0011 -0.0293 0.0282 -0.0467 -0.0289 0.0613 -0.2938 -0.0808 -0.0468 -0.0283 -0.0149 0.0213 0.0734 0.0326 0.0764 -0.1523 -0.0335 0.3243 -0.1018 0.5407 -0.1604 0.1024 -0.0312 -0.3495 0.1020 0.1470 -0.0337 -0.2721 0.0854 -0.1437 0.0408 0.0813 0.1020 0.0337 -0.0761 0.0258 -0.0342 -0.0266 0.0173 0.0044 127. (0.00015) RY ( 7) C 1 s( 7.26%)p 5.04( 36.60%)d 6.77( 49.20%) f 0.84( 6.13%)g 0.11( 0.81%) 0.0000 0.0094 0.1985 -0.1778 0.0209 0.0328 0.0018 -0.0042 -0.0662 0.3458 -0.0213 -0.0268 0.3015 0.1269 0.0078 0.0177 0.1136 -0.3313 -0.1038 -0.0075 0.0308 0.0154 0.2014 -0.2005 -0.0043 0.4527 0.0423 0.0269 0.0760 -0.1656 -0.0123 -0.3483 0.2187 0.0095 -0.0860 0.0230 0.1286 -0.0519 0.1368 0.0065 0.0661 -0.0229 -0.0951 0.0154 0.0286 -0.0096 -0.0174 0.0028 0.0259 -0.0182 0.0161 -0.0516 -0.0253 0.0441 -0.0266 0.0269 0.0116 128. (0.00009) RY ( 8) C 1 s( 7.30%)p 5.43( 39.60%)d 6.31( 46.09%) f 0.84( 6.12%)g 0.12( 0.90%) 129. (0.00009) RY ( 9) C 1 s( 2.57%)p 6.56( 16.90%)d28.42( 73.16%) f 2.71( 6.97%)g 0.15( 0.39%) 130. (0.00004) RY (10) C 1 s( 6.39%)p 4.74( 30.32%)d 7.39( 47.23%) f 2.43( 15.51%)g 0.09( 0.54%) 131. (0.00003) RY (11) C 1 s( 4.89%)p 5.73( 28.03%)d 8.61( 42.13%) f 4.91( 24.01%)g 0.19( 0.94%) 132. (0.00002) RY (12) C 1 s( 4.56%)p 6.84( 31.22%)d10.32( 47.10%) f 2.88( 13.13%)g 0.87( 3.99%) 133. (0.00001) RY (13) C 1 s( 8.19%)p 4.76( 38.96%)d 4.75( 38.89%) f 1.59( 13.04%)g 0.11( 0.92%) 134. (0.00001) RY (14) C 1 s( 4.35%)p 3.11( 13.53%)d11.74( 51.04%) f 6.41( 27.88%)g 0.74( 3.20%) 135. (0.00001) RY (15) C 1 s( 11.63%)p 0.50( 5.84%)d 3.05( 35.51%) f 3.27( 38.01%)g 0.78( 9.01%) 136. (0.00001) RY (16) C 1 s( 6.13%)p 2.25( 13.80%)d 4.24( 25.97%) f 6.56( 40.20%)g 2.27( 13.90%) 137. (0.00000) RY (17) C 1 s( 9.32%)p 1.26( 11.72%)d 4.60( 42.90%) f 3.30( 30.79%)g 0.56( 5.26%) 138. (0.00000) RY (18) C 1 s( 8.72%)p 2.09( 18.27%)d 4.66( 40.61%) f 3.51( 30.64%)g 0.20( 1.75%) 139. (0.00000) RY (19) C 1 s( 6.46%)p 1.09( 7.06%)d 1.96( 12.67%) f 3.99( 25.78%)g 7.44( 48.04%) 140. (0.00000) RY (20) C 1 s( 4.86%)p 0.28( 1.34%)d 2.87( 13.96%) f 6.09( 29.64%)g10.32( 50.20%) 141. (0.00000) RY (21) C 1 s( 2.57%)p 1.67( 4.28%)d16.67( 42.81%) f 6.06( 15.55%)g13.55( 34.79%) 142. (0.00000) RY (22) C 1 s( 8.54%)p 0.27( 2.28%)d 3.14( 26.85%) f 3.79( 32.34%)g 3.51( 29.99%) 143. (0.00000) RY (23) C 1 s( 13.08%)p 0.19( 2.46%)d 1.58( 20.68%) f 2.19( 28.60%)g 2.69( 35.18%) 144. (0.00000) RY (24) C 1 s( 13.14%)p 0.44( 5.79%)d 1.77( 23.24%) f 0.85( 11.20%)g 3.55( 46.63%) 145. (0.00000) RY (25) C 1 s( 45.65%)p 0.15( 6.64%)d 0.43( 19.47%) f 0.34( 15.72%)g 0.27( 12.52%) 146. (0.00000) RY (26) C 1 s( 2.71%)p 9.27( 25.14%)d13.99( 37.96%) f 7.59( 20.60%)g 5.01( 13.58%) 147. (0.00000) RY (27) C 1 s( 3.08%)p 3.82( 11.80%)d12.62( 38.94%) f 9.94( 30.65%)g 5.03( 15.52%) 148. (0.00000) RY (28) C 1 s( 3.33%)p 4.68( 15.59%)d10.77( 35.91%) f 9.42( 31.41%)g 4.12( 13.75%) 149. (0.00000) RY (29) C 1 s( 1.77%)p36.44( 64.52%)d 5.64( 9.98%) f 7.68( 13.61%)g 5.72( 10.12%) 150. (0.00000) RY (30) C 1 s( 5.78%)p 1.68( 9.71%)d 6.80( 39.26%) f 7.29( 42.14%)g 0.54( 3.11%) 151. (0.00000) RY (31) C 1 s( 11.71%)p 3.68( 43.03%)d 1.36( 15.92%) f 1.52( 17.77%)g 0.99( 11.58%) 152. (0.00000) RY (32) C 1 s( 6.26%)p 3.54( 22.12%)d 2.40( 15.03%) f 8.29( 51.88%)g 0.75( 4.71%) 153. (0.00000) RY (33) C 1 s( 11.03%)p 0.62( 6.81%)d 2.64( 29.15%) f 4.37( 48.26%)g 0.43( 4.75%) 154. (0.00000) RY (34) C 1 s( 18.52%)p 0.51( 9.48%)d 2.03( 37.61%) f 1.38( 25.57%)g 0.48( 8.82%) 155. (0.00000) RY (35) C 1 s( 5.94%)p 3.08( 18.29%)d 4.69( 27.85%) f 6.98( 41.46%)g 1.09( 6.45%) 156. (0.00000) RY (36) C 1 s( 25.68%)p 0.34( 8.67%)d 1.79( 46.00%) f 0.67( 17.16%)g 0.10( 2.49%) 157. (0.00000) RY (37) C 1 s( 4.28%)p 3.92( 16.79%)d 8.23( 35.24%) f 9.80( 41.96%)g 0.40( 1.73%) 158. (0.00000) RY (38) C 1 s( 6.47%)p 2.39( 15.45%)d 8.44( 54.63%) f 3.40( 21.99%)g 0.23( 1.46%) 159. (0.00000) RY (39) C 1 s( 46.10%)p 0.00( 0.21%)d 0.07( 3.45%) f 0.46( 21.31%)g 0.63( 28.93%) 160. (0.00000) RY (40) C 1 s( 37.78%)p 0.01( 0.23%)d 0.33( 12.63%) f 0.54( 20.25%)g 0.77( 29.12%) 161. (0.00000) RY (41) C 1 s( 4.25%)p 0.36( 1.52%)d 3.50( 14.87%) f11.10( 47.16%)g 7.58( 32.21%) 162. (0.00000) RY (42) C 1 s( 12.03%)p 0.03( 0.36%)d 1.10( 13.17%) f 4.86( 58.42%)g 1.33( 16.02%) 163. (0.00000) RY (43) C 1 s( 1.13%)p 0.24( 0.27%)d10.81( 12.17%) f49.13( 55.29%)g27.67( 31.14%) 164. (0.00000) RY (44) C 1 s( 0.10%)p 5.58( 0.56%)d99.99( 15.74%) f99.99( 43.81%)g99.99( 39.79%) 165. (0.00000) RY (45) C 1 s( 2.79%)p 0.15( 0.41%)d 1.60( 4.46%) f 5.65( 15.76%)g27.47( 76.58%) 166. (0.00000) RY (46) C 1 s( 7.49%)p 0.07( 0.51%)d 1.80( 13.47%) f 6.86( 51.37%)g 3.63( 27.15%) 167. (0.00000) RY (47) C 1 s( 5.51%)p 0.21( 1.18%)d 7.43( 40.92%) f 6.08( 33.49%)g 3.43( 18.90%) 168. (0.00000) RY (48) C 1 s( 1.38%)p 0.45( 0.62%)d 9.46( 13.09%) f11.52( 15.93%)g49.87( 68.99%) 169. (0.00000) RY (49) C 1 s( 2.12%)p 0.38( 0.80%)d 7.20( 15.22%) f32.00( 67.69%)g 6.70( 14.17%) 170. (0.00000) RY (50) C 1 s( 10.45%)p 0.37( 3.82%)d 2.53( 26.44%) f 3.31( 34.59%)g 2.36( 24.70%) 171. (0.00000) RY (51) C 1 s( 11.19%)p 0.43( 4.82%)d 2.37( 26.52%) f 1.86( 20.80%)g 3.28( 36.67%) 172. (0.00000) RY (52) C 1 s( 10.47%)p 0.13( 1.39%)d 1.92( 20.14%) f 1.23( 12.90%)g 5.26( 55.09%) 173. (0.00178) RY ( 1) C 2 s( 3.91%)p19.21( 75.16%)d 5.14( 20.13%) f 0.17( 0.68%)g 0.03( 0.12%) 0.0000 0.0117 0.1964 0.0114 0.0123 -0.0125 0.0003 0.0110 -0.7926 0.0037 0.0033 -0.0310 -0.0905 -0.0205 0.0010 0.0167 -0.3335 0.0450 0.0087 -0.0752 0.0729 -0.0070 -0.1321 0.2983 0.0032 0.0085 -0.0253 -0.0007 0.1257 -0.0037 0.0262 0.1659 -0.1967 0.0176 -0.0255 -0.0089 0.0035 0.0042 0.0190 -0.0047 0.0417 0.0141 -0.0440 0.0142 0.0289 0.0122 -0.0221 0.0101 -0.0129 -0.0275 -0.0011 0.0114 -0.0062 0.0086 -0.0041 -0.0067 -0.0024 174. (0.00132) RY ( 2) C 2 s( 0.10%)p99.99( 93.06%)d19.53( 2.03%) f46.18( 4.79%)g 0.15( 0.02%) 0.0000 0.0014 0.0013 0.0316 0.0052 -0.0031 0.0002 0.0244 0.3900 0.1398 0.0243 -0.0119 0.0327 -0.0486 -0.0031 -0.0408 -0.8422 -0.2061 -0.0281 -0.0712 0.0027 -0.0150 -0.0160 0.0150 -0.0080 -0.0267 0.0398 -0.0019 0.0434 0.0180 0.0158 0.0379 -0.0888 -0.0179 -0.0510 0.0150 0.1872 -0.0473 -0.0138 0.0148 -0.0760 0.0291 0.0201 -0.0004 0.0049 -0.0044 -0.0183 -0.0035 -0.0078 0.0019 0.0029 0.0076 -0.0002 -0.0018 -0.0028 -0.0016 -0.0026 175. (0.00087) RY ( 3) C 2 s( 1.39%)p57.62( 80.25%)d10.74( 14.96%) f 2.27( 3.16%)g 0.16( 0.23%) 0.0000 0.0048 -0.0331 0.1116 0.0187 0.0014 0.0009 -0.0079 -0.0401 0.0539 0.0059 -0.0178 0.8745 -0.1426 0.0186 0.0044 0.0396 0.1028 0.0047 -0.3269 0.0143 -0.0426 0.0089 -0.0109 0.0250 -0.1194 -0.0097 -0.0190 0.1168 -0.0221 0.0128 0.1034 0.0119 0.0075 0.0276 0.0037 -0.0371 0.0116 0.0698 -0.0240 -0.0302 0.0053 -0.1475 0.0211 -0.0080 0.0071 -0.0132 -0.0218 -0.0052 0.0038 0.0233 -0.0008 -0.0043 -0.0024 -0.0390 0.0067 -0.0109 176. (0.00036) RY ( 4) C 2 s( 5.79%)p 2.99( 17.32%)d12.34( 71.48%) f 0.90( 5.23%)g 0.03( 0.17%) 0.0000 -0.0063 0.2305 -0.0684 0.0006 -0.0078 0.0002 -0.0088 0.0064 0.2073 0.0842 0.0011 -0.0490 0.0065 -0.0441 0.0036 0.1376 -0.2940 -0.1151 -0.2945 -0.2660 -0.0357 0.0130 0.0779 -0.0287 0.2172 0.6401 0.0296 0.1760 -0.1704 0.0298 -0.1632 -0.0352 -0.0494 0.0700 -0.0454 -0.0322 -0.0052 -0.0301 0.0739 0.1323 -0.0369 -0.0653 0.0635 -0.0617 0.0082 0.0464 -0.0691 0.0112 0.0027 -0.0218 0.0193 0.0156 0.0011 -0.0123 -0.0035 0.0179 177. (0.00030) RY ( 5) C 2 s( 53.46%)p 0.24( 12.71%)d 0.57( 30.68%) f 0.05( 2.91%)g 0.00( 0.23%) 0.0000 -0.0144 0.7000 -0.2106 0.0052 -0.0089 -0.0004 -0.0100 0.2362 -0.0353 0.0174 -0.0074 -0.0511 0.1816 -0.0207 -0.0078 0.1135 0.1434 0.0113 -0.1476 0.2288 0.0063 0.1843 -0.0584 -0.0165 -0.1415 -0.1768 0.0026 0.3021 -0.0242 0.0150 0.2014 -0.0955 0.0433 -0.0816 0.0170 0.0909 -0.0268 -0.0584 -0.0181 0.0455 -0.0009 0.0358 -0.0344 -0.0191 -0.0079 -0.0589 0.0322 -0.0140 0.0028 -0.0140 0.0148 0.0002 0.0073 0.0392 0.0069 -0.0089 178. (0.00022) RY ( 6) C 2 s( 0.79%)p18.27( 14.50%)d16.07( 12.75%) f87.33( 69.30%)g 3.36( 2.67%) 0.0000 -0.0012 0.0853 -0.0246 0.0061 -0.0034 0.0004 0.0086 0.1512 -0.0512 -0.1455 -0.0013 -0.0475 0.0139 0.0365 -0.0159 -0.1739 0.0076 0.2527 0.0002 0.0903 -0.0087 -0.0386 0.1960 0.0433 -0.0615 0.0132 0.0248 0.0321 -0.1233 -0.0473 0.0029 0.2217 0.0726 0.0778 -0.0237 -0.7414 0.2270 -0.0842 0.0072 0.1020 -0.0283 -0.1724 0.0464 0.1491 -0.0440 0.1022 -0.0146 0.0977 -0.0781 0.0056 -0.0882 -0.0358 0.0301 -0.0125 0.0242 0.0174 179. (0.00014) RY ( 7) C 2 s( 1.57%)p14.08( 22.06%)d43.01( 67.38%) f 4.80( 7.51%)g 0.94( 1.48%) 0.0000 -0.0044 -0.0317 0.1003 -0.0386 -0.0555 -0.0016 -0.0089 -0.2264 0.1298 0.0494 0.0073 -0.2235 -0.2761 -0.0009 -0.0081 -0.1238 0.0642 0.0651 -0.2191 -0.1143 -0.0224 0.4898 -0.4255 -0.0173 -0.2271 -0.0641 -0.0042 0.1023 -0.0319 -0.0148 -0.1733 0.3054 0.0145 -0.1670 0.0697 -0.0102 0.0137 0.0582 -0.0218 0.1000 -0.0377 -0.1342 0.0035 0.0618 -0.0188 -0.0647 -0.0208 0.0178 0.0733 0.0354 -0.0516 0.0190 0.0354 -0.0390 0.0449 0.0058 180. (0.00006) RY ( 8) C 2 s( 3.32%)p 5.20( 17.29%)d21.10( 70.12%) f 2.75( 9.15%)g 0.04( 0.12%) 181. (0.00004) RY ( 9) C 2 s( 12.75%)p 2.22( 28.34%)d 2.76( 35.18%) f 1.76( 22.44%)g 0.10( 1.28%) 182. (0.00002) RY (10) C 2 s( 5.88%)p 5.79( 34.05%)d 7.85( 46.11%) f 2.25( 13.24%)g 0.12( 0.72%) 183. (0.00002) RY (11) C 2 s( 0.87%)p22.41( 19.55%)d75.43( 65.80%) f15.23( 13.28%)g 0.57( 0.50%) 184. (0.00001) RY (12) C 2 s( 8.51%)p 6.81( 57.92%)d 3.23( 27.44%) f 0.69( 5.87%)g 0.03( 0.26%) 185. (0.00001) RY (13) C 2 s( 5.80%)p 2.60( 15.12%)d 8.79( 50.99%) f 2.59( 15.04%)g 2.25( 13.04%) 186. (0.00001) RY (14) C 2 s( 8.28%)p 2.51( 20.80%)d 3.07( 25.43%) f 4.38( 36.28%)g 1.11( 9.21%) 187. (0.00001) RY (15) C 2 s( 18.10%)p 1.26( 22.83%)d 2.58( 46.66%) f 0.59( 10.60%)g 0.10( 1.81%) 188. (0.00000) RY (16) C 2 s( 0.38%)p 5.16( 1.94%)d38.35( 14.39%) f59.53( 22.35%)g99.99( 60.94%) 189. (0.00000) RY (17) C 2 s( 1.33%)p 2.93( 3.89%)d 4.84( 6.43%) f33.78( 44.86%)g32.75( 43.49%) 190. (0.00000) RY (18) C 2 s( 4.42%)p 0.84( 3.72%)d 3.57( 15.78%) f 3.52( 15.58%)g13.68( 60.50%) 191. (0.00000) RY (19) C 2 s( 2.56%)p 5.29( 13.54%)d19.43( 49.73%) f 6.15( 15.76%)g 7.19( 18.41%) 192. (0.00000) RY (20) C 2 s( 20.96%)p 0.33( 6.89%)d 1.43( 30.04%) f 1.45( 30.32%)g 0.56( 11.80%) 193. (0.00000) RY (21) C 2 s( 29.99%)p 0.46( 13.88%)d 0.45( 13.48%) f 0.78( 23.25%)g 0.65( 19.40%) 194. (0.00000) RY (22) C 2 s( 43.76%)p 0.07( 3.26%)d 0.55( 23.97%) f 0.44( 19.14%)g 0.23( 9.87%) 195. (0.00000) RY (23) C 2 s( 2.10%)p11.54( 24.25%)d12.07( 25.36%) f12.50( 26.27%)g10.48( 22.03%) 196. (0.00000) RY (24) C 2 s( 1.67%)p15.90( 26.63%)d18.85( 31.58%) f12.01( 20.13%)g11.94( 20.00%) 197. (0.00000) RY (25) C 2 s( 2.14%)p 1.33( 2.86%)d16.07( 34.46%) f18.63( 39.97%)g 9.59( 20.56%) 198. (0.00000) RY (26) C 2 s( 8.80%)p 3.11( 27.33%)d 1.49( 13.07%) f 4.55( 40.01%)g 1.23( 10.78%) 199. (0.00000) RY (27) C 2 s( 6.04%)p 5.87( 35.46%)d 1.36( 8.21%) f 6.90( 41.69%)g 1.42( 8.59%) 200. (0.00000) RY (28) C 2 s( 7.34%)p 3.26( 23.93%)d 3.54( 25.97%) f 4.11( 30.14%)g 1.72( 12.61%) 201. (0.00000) RY (29) C 2 s( 3.25%)p 5.53( 17.96%)d 6.67( 21.67%) f13.40( 43.57%)g 4.17( 13.55%) 202. (0.00000) RY (30) C 2 s( 7.53%)p 3.15( 23.73%)d 4.72( 35.52%) f 3.32( 25.01%)g 1.09( 8.21%) 203. (0.00000) RY (31) C 2 s( 11.29%)p 1.14( 12.89%)d 5.37( 60.63%) f 1.09( 12.27%)g 0.26( 2.93%) 204. (0.00000) RY (32) C 2 s( 3.11%)p 6.30( 19.60%)d 8.50( 26.45%) f14.96( 46.54%)g 1.38( 4.30%) 205. (0.00000) RY (33) C 2 s( 17.85%)p 0.95( 16.87%)d 1.70( 30.27%) f 1.52( 27.09%)g 0.44( 7.92%) 206. (0.00000) RY (34) C 2 s( 2.99%)p 1.56( 4.67%)d18.22( 54.52%) f12.28( 36.74%)g 0.36( 1.07%) 207. (0.00000) RY (35) C 2 s( 22.77%)p 1.00( 22.82%)d 1.60( 36.49%) f 0.61( 13.93%)g 0.18( 3.99%) 208. (0.00000) RY (36) C 2 s( 6.56%)p 1.68( 11.04%)d 5.11( 33.51%) f 6.72( 44.13%)g 0.72( 4.75%) 209. (0.00000) RY (37) C 2 s( 3.96%)p 5.42( 21.47%)d 8.50( 33.67%) f 9.54( 37.79%)g 0.78( 3.10%) 210. (0.00000) RY (38) C 2 s( 18.90%)p 0.64( 12.16%)d 1.51( 28.63%) f 1.97( 37.15%)g 0.17( 3.17%) 211. (0.00000) RY (39) C 2 s( 78.49%)p 0.00( 0.12%)d 0.03( 2.43%) f 0.19( 14.82%)g 0.05( 4.14%) 212. (0.00000) RY (40) C 2 s( 0.51%)p 0.58( 0.30%)d55.09( 28.17%) f85.33( 43.63%)g53.59( 27.40%) 213. (0.00000) RY (41) C 2 s( 1.20%)p 0.97( 1.15%)d 6.51( 7.78%) f24.80( 29.65%)g50.35( 60.22%) 214. (0.00000) RY (42) C 2 s( 0.31%)p 5.59( 1.71%)d83.51( 25.50%) f95.51( 29.16%)g99.99( 43.32%) 215. (0.00000) RY (43) C 2 s( 10.14%)p 0.04( 0.37%)d 0.96( 9.69%) f 5.64( 57.15%)g 2.23( 22.65%) 216. (0.00000) RY (44) C 2 s( 6.32%)p 0.64( 4.06%)d 3.58( 22.62%) f 6.28( 39.70%)g 4.32( 27.31%) 217. (0.00000) RY (45) C 2 s( 2.59%)p 0.35( 0.89%)d 2.53( 6.54%) f11.95( 30.93%)g22.82( 59.05%) 218. (0.00000) RY (46) C 2 s( 0.88%)p 0.66( 0.58%)d26.01( 22.86%) f36.79( 32.33%)g49.34( 43.36%) 219. (0.00000) RY (47) C 2 s( 0.40%)p 1.40( 0.56%)d47.82( 19.14%) f99.99( 43.69%)g90.48( 36.21%) 220. (0.00000) RY (48) C 2 s( 0.87%)p 2.38( 2.07%)d29.00( 25.24%) f43.63( 37.97%)g38.91( 33.86%) 221. (0.00000) RY (49) C 2 s( 0.37%)p 3.64( 1.34%)d56.53( 20.88%) f99.99( 45.00%)g87.73( 32.41%) 222. (0.00000) RY (50) C 2 s( 3.63%)p 1.07( 3.88%)d 1.91( 6.93%) f 8.72( 31.68%)g14.82( 53.87%) 223. (0.00000) RY (51) C 2 s( 26.59%)p 0.01( 0.17%)d 1.31( 34.75%) f 0.67( 17.83%)g 0.78( 20.65%) 224. (0.00000) RY (52) C 2 s( 7.61%)p 0.22( 1.67%)d 3.41( 25.94%) f 4.35( 33.08%)g 4.17( 31.70%) 225. (0.00180) RY ( 1) C 3 s( 3.77%)p19.91( 75.13%)d 5.37( 20.26%) f 0.19( 0.71%)g 0.03( 0.12%) 0.0000 0.0125 0.1924 0.0150 0.0140 -0.0119 0.0003 0.0086 -0.7189 -0.0019 0.0023 -0.0370 0.0732 -0.0332 -0.0004 -0.0083 0.4744 -0.0383 -0.0091 -0.0254 -0.0360 -0.0077 0.1728 -0.3430 -0.0006 0.1161 -0.0689 0.0185 0.1397 -0.0601 0.0234 0.0805 -0.0652 0.0115 0.0171 0.0053 -0.0038 0.0190 -0.0018 -0.0033 -0.0426 -0.0137 0.0597 -0.0064 -0.0035 0.0132 -0.0244 0.0009 -0.0224 0.0099 -0.0072 0.0184 0.0010 0.0014 0.0100 -0.0108 -0.0028 226. (0.00137) RY ( 2) C 3 s( 0.07%)p99.99( 93.67%)d20.17( 1.47%) f65.46( 4.77%)g 0.22( 0.02%) 0.0000 0.0011 -0.0055 0.0258 0.0047 -0.0033 0.0000 0.0332 0.5395 0.1671 0.0287 0.0020 0.2173 0.0233 0.0030 0.0371 0.7309 0.1784 0.0242 -0.0367 -0.0176 -0.0111 0.0326 -0.0449 0.0032 0.0362 -0.0602 -0.0037 0.0272 0.0317 0.0155 0.0075 -0.0503 -0.0176 -0.0458 0.0032 0.1481 -0.0352 0.0248 -0.0026 0.1162 -0.0387 0.0685 -0.0190 0.0185 -0.0091 0.0303 -0.0189 -0.0027 -0.0075 -0.0022 0.0047 -0.0025 0.0062 0.0043 -0.0028 0.0002 227. (0.00085) RY ( 3) C 3 s( 1.66%)p48.84( 81.21%)d 8.37( 13.91%) f 1.79( 2.97%)g 0.14( 0.24%) 0.0000 0.0059 -0.0576 0.1138 0.0176 0.0028 0.0010 -0.0056 -0.0149 0.0628 0.0012 -0.0166 0.8420 -0.1705 0.0118 0.0047 -0.2590 -0.0482 -0.0058 -0.2633 0.0116 -0.0407 0.0785 0.0304 -0.0107 0.2347 0.0176 0.0308 0.0631 -0.0164 0.0023 -0.0147 -0.0026 -0.0024 -0.0276 0.0062 -0.1076 0.0153 0.0108 -0.0170 0.0070 0.0123 0.1125 -0.0118 -0.0513 0.0114 0.0211 -0.0229 0.0153 0.0123 -0.0152 -0.0107 -0.0225 0.0122 0.0306 -0.0089 0.0016 228. (0.00035) RY ( 4) C 3 s( 5.85%)p 2.83( 16.55%)d12.28( 71.86%) f 0.95( 5.56%)g 0.03( 0.18%) 0.0000 -0.0066 0.2338 -0.0612 -0.0020 -0.0084 0.0000 -0.0092 -0.0121 0.2653 0.1006 0.0009 -0.0828 0.0853 -0.0164 -0.0007 -0.1042 0.2198 0.1057 -0.3402 -0.3924 -0.0321 -0.0029 0.1176 0.0141 -0.1167 -0.5229 -0.0344 0.2302 0.0275 0.0402 -0.0625 0.2911 -0.0383 0.0209 -0.0338 -0.0338 0.0100 -0.1256 0.1063 -0.0916 0.0158 -0.0052 -0.0051 -0.1060 0.0310 0.0043 -0.0692 -0.0054 -0.0126 0.0213 -0.0080 0.0106 -0.0167 0.0127 -0.0121 0.0200 229. (0.00028) RY ( 5) C 3 s( 50.60%)p 0.21( 10.59%)d 0.63( 31.63%) f 0.14( 6.84%)g 0.01( 0.34%) 0.0000 -0.0144 0.6801 -0.2079 0.0000 -0.0091 -0.0004 -0.0095 0.1837 -0.0377 0.0239 -0.0042 -0.0762 0.1188 -0.0142 0.0104 -0.1529 -0.1624 0.0086 -0.1263 0.2332 0.0227 -0.1335 -0.0460 0.0212 0.3663 0.0381 0.0221 0.1929 -0.0406 0.0186 0.1171 -0.1891 0.0169 -0.0021 0.0304 0.2061 -0.0574 0.0175 -0.0300 0.0900 -0.0224 0.0671 -0.0142 -0.0250 -0.0123 -0.0728 0.0328 -0.0163 -0.0408 0.0045 0.0238 0.0012 0.0057 -0.0151 0.0175 -0.0181 230. (0.00022) RY ( 6) C 3 s( 3.32%)p 4.42( 14.69%)d 4.25( 14.13%) f19.65( 65.29%)g 0.77( 2.57%) 0.0000 -0.0033 0.1719 -0.0597 0.0071 -0.0064 0.0004 0.0097 0.2011 -0.0521 -0.1909 0.0035 -0.0060 0.0109 -0.0369 0.0148 0.1309 -0.0142 -0.2194 -0.0168 0.0948 -0.0195 0.0015 -0.1034 0.0023 0.1072 0.0940 0.0052 0.0471 -0.1689 -0.0470 -0.0389 0.2422 0.0862 0.3550 -0.0931 -0.5738 0.1787 -0.0817 0.0033 -0.3147 0.0986 -0.1692 0.0519 0.0937 -0.0339 0.0085 0.0170 0.0088 0.1420 0.0189 -0.0195 0.0243 -0.0569 -0.0219 0.0197 -0.0084 231. (0.00013) RY ( 7) C 3 s( 2.45%)p 9.11( 22.29%)d26.95( 65.96%) f 3.20( 7.83%)g 0.60( 1.48%) 0.0000 -0.0036 -0.0529 0.1289 -0.0381 -0.0599 -0.0019 -0.0060 -0.1958 0.0829 0.0409 0.0121 -0.1794 -0.2934 -0.0187 0.0055 0.2279 0.0029 -0.0726 -0.3281 0.0670 -0.0115 -0.4523 0.4807 0.0288 0.2323 0.1587 0.0175 -0.1044 0.0285 -0.0129 -0.1258 0.0610 -0.0059 0.1157 -0.0398 0.0387 -0.0349 0.0916 -0.0481 -0.0965 0.0521 0.1770 -0.0198 -0.0269 -0.0013 -0.0733 0.0027 0.0752 -0.0061 -0.0094 -0.0475 -0.0621 -0.0491 0.0102 0.0169 -0.0084 232. (0.00007) RY ( 8) C 3 s( 3.86%)p 4.89( 18.88%)d17.54( 67.68%) f 2.43( 9.37%)g 0.05( 0.21%) 233. (0.00004) RY ( 9) C 3 s( 9.10%)p 2.88( 26.26%)d 4.51( 41.07%) f 2.47( 22.50%)g 0.12( 1.07%) 234. (0.00003) RY (10) C 3 s( 8.16%)p 3.62( 29.52%)d 5.93( 48.38%) f 1.65( 13.44%)g 0.06( 0.51%) 235. (0.00002) RY (11) C 3 s( 20.56%)p 2.60( 53.38%)d 0.73( 15.06%) f 0.52( 10.59%)g 0.02( 0.40%) 236. (0.00002) RY (12) C 3 s( 0.85%)p31.74( 27.01%)d74.98( 63.82%) f 8.93( 7.60%)g 0.83( 0.71%) 237. (0.00001) RY (13) C 3 s( 3.07%)p 9.43( 28.95%)d11.82( 36.30%) f 4.89( 15.02%)g 5.43( 16.66%) 238. (0.00001) RY (14) C 3 s( 6.92%)p 2.31( 15.98%)d 4.93( 34.07%) f 5.77( 39.88%)g 0.46( 3.15%) 239. (0.00001) RY (15) C 3 s( 9.05%)p 4.48( 40.56%)d 4.32( 39.07%) f 0.82( 7.39%)g 0.43( 3.92%) 240. (0.00000) RY (16) C 3 s( 6.15%)p 1.57( 9.66%)d 4.55( 28.00%) f 4.04( 24.83%)g 5.09( 31.35%) 241. (0.00000) RY (17) C 3 s( 0.55%)p 4.65( 2.56%)d27.04( 14.87%) f41.29( 22.70%)g99.99( 59.33%) 242. (0.00000) RY (18) C 3 s( 6.38%)p 1.39( 8.83%)d 2.24( 14.28%) f 1.30( 8.30%)g 9.76( 62.21%) 243. (0.00000) RY (19) C 3 s( 15.30%)p 0.71( 10.89%)d 1.30( 19.93%) f 1.61( 24.64%)g 1.91( 29.24%) 244. (0.00000) RY (20) C 3 s( 6.12%)p 1.43( 8.75%)d 3.62( 22.13%) f 2.82( 17.23%)g 7.48( 45.77%) 245. (0.00000) RY (21) C 3 s( 14.62%)p 0.45( 6.53%)d 1.53( 22.42%) f 1.64( 23.91%)g 2.23( 32.53%) 246. (0.00000) RY (22) C 3 s( 18.22%)p 0.27( 4.97%)d 1.18( 21.58%) f 1.58( 28.77%)g 1.45( 26.46%) 247. (0.00000) RY (23) C 3 s( 24.85%)p 0.16( 3.98%)d 1.00( 24.73%) f 1.01( 25.18%)g 0.86( 21.25%) 248. (0.00000) RY (24) C 3 s( 8.54%)p 3.69( 31.55%)d 2.91( 24.82%) f 2.42( 20.68%)g 1.69( 14.41%) 249. (0.00000) RY (25) C 3 s( 2.02%)p 6.09( 12.32%)d15.03( 30.41%) f24.44( 49.45%)g 2.87( 5.80%) 250. (0.00000) RY (26) C 3 s( 1.66%)p18.15( 30.06%)d 5.54( 9.17%) f29.39( 48.69%)g 6.29( 10.42%) 251. (0.00000) RY (27) C 3 s( 11.13%)p 3.48( 38.69%)d 2.16( 24.06%) f 1.49( 16.55%)g 0.86( 9.57%) 252. (0.00000) RY (28) C 3 s( 14.35%)p 0.29( 4.16%)d 1.52( 21.86%) f 3.45( 49.52%)g 0.70( 10.11%) 253. (0.00000) RY (29) C 3 s( 18.90%)p 1.36( 25.77%)d 1.46( 27.54%) f 1.32( 24.86%)g 0.15( 2.92%) 254. (0.00000) RY (30) C 3 s( 7.44%)p 1.85( 13.78%)d 5.04( 37.53%) f 4.16( 30.99%)g 1.38( 10.27%) 255. (0.00000) RY (31) C 3 s( 1.88%)p 6.59( 12.41%)d23.08( 43.43%) f16.33( 30.73%)g 6.14( 11.55%) 256. (0.00000) RY (32) C 3 s( 7.13%)p 2.06( 14.65%)d 4.69( 33.45%) f 4.78( 34.04%)g 1.50( 10.73%) 257. (0.00000) RY (33) C 3 s( 5.09%)p 5.78( 29.41%)d 8.59( 43.70%) f 3.31( 16.83%)g 0.98( 4.97%) 258. (0.00000) RY (34) C 3 s( 2.26%)p 2.61( 5.91%)d23.99( 54.27%) f15.72( 35.57%)g 0.88( 1.98%) 259. (0.00000) RY (35) C 3 s( 6.48%)p 3.27( 21.16%)d 7.04( 45.61%) f 3.57( 23.09%)g 0.57( 3.67%) 260. (0.00000) RY (36) C 3 s( 41.55%)p 0.32( 13.34%)d 0.57( 23.81%) f 0.42( 17.59%)g 0.09( 3.71%) 261. (0.00000) RY (37) C 3 s( 9.23%)p 0.27( 2.47%)d 4.30( 39.69%) f 4.92( 45.40%)g 0.35( 3.20%) 262. (0.00000) RY (38) C 3 s( 1.60%)p11.11( 17.74%)d20.01( 31.95%) f28.18( 45.01%)g 2.32( 3.70%) 263. (0.00000) RY (39) C 3 s( 72.85%)p 0.00( 0.30%)d 0.12( 8.42%) f 0.15( 11.08%)g 0.10( 7.36%) 264. (0.00000) RY (40) C 3 s( 13.13%)p 0.12( 1.56%)d 0.57( 7.51%) f 2.68( 35.22%)g 3.24( 42.58%) 265. (0.00000) RY (41) C 3 s( 1.84%)p 1.46( 2.69%)d20.34( 37.52%) f13.93( 25.70%)g17.48( 32.25%) 266. (0.00000) RY (42) C 3 s( 1.45%)p 0.73( 1.06%)d 7.27( 10.53%) f31.52( 45.63%)g28.54( 41.33%) 267. (0.00000) RY (43) C 3 s( 0.48%)p 2.80( 1.33%)d55.71( 26.60%) f98.71( 47.13%)g51.22( 24.46%) 268. (0.00000) RY (44) C 3 s( 4.61%)p 0.14( 0.64%)d 2.38( 10.96%) f 5.23( 24.15%)g12.93( 59.64%) 269. (0.00000) RY (45) C 3 s( 2.82%)p 0.54( 1.52%)d 8.26( 23.30%) f13.98( 39.46%)g11.66( 32.90%) 270. (0.00000) RY (46) C 3 s( 2.60%)p 0.21( 0.55%)d 6.38( 16.61%) f19.85( 51.65%)g10.99( 28.60%) 271. (0.00000) RY (47) C 3 s( 1.07%)p 0.29( 0.31%)d27.98( 30.02%) f23.11( 24.80%)g40.82( 43.80%) 272. (0.00000) RY (48) C 3 s( 1.54%)p 0.75( 1.16%)d18.16( 28.00%) f26.31( 40.57%)g18.63( 28.73%) 273. (0.00000) RY (49) C 3 s( 15.87%)p 0.06( 0.90%)d 0.54( 8.52%) f 2.00( 31.75%)g 2.71( 42.96%) 274. (0.00000) RY (50) C 3 s( 5.97%)p 0.16( 0.92%)d 7.79( 46.48%) f 1.96( 11.67%)g 5.86( 34.97%) 275. (0.00000) RY (51) C 3 s( 1.68%)p 0.44( 0.73%)d 7.23( 12.12%) f39.68( 66.49%)g11.32( 18.98%) 276. (0.00000) RY (52) C 3 s( 13.50%)p 0.20( 2.67%)d 0.67( 9.01%) f 4.46( 60.15%)g 1.09( 14.67%) 277. (0.00201) RY ( 1) C 4 s( 2.56%)p29.64( 75.88%)d 8.05( 20.60%) f 0.32( 0.82%)g 0.06( 0.14%) 0.0000 0.0089 0.1527 0.0417 0.0178 -0.0118 0.0005 0.0031 0.4707 0.0546 0.0163 -0.0194 0.2628 -0.0524 0.0030 -0.0125 0.6765 -0.0614 -0.0104 0.0125 -0.0876 -0.0010 -0.1510 0.2622 -0.0068 0.1462 0.0608 0.0274 0.1849 -0.1729 0.0134 -0.0391 0.1208 0.0189 0.0231 -0.0124 -0.0115 -0.0218 -0.0344 -0.0164 -0.0041 -0.0025 -0.0684 0.0152 0.0137 -0.0092 0.0139 -0.0002 -0.0121 0.0230 0.0011 -0.0035 0.0200 -0.0176 -0.0062 0.0009 -0.0020 278. (0.00153) RY ( 2) C 4 s( 0.50%)p99.99( 83.03%)d25.72( 12.77%) f 7.19( 3.57%)g 0.26( 0.13%) 0.0000 0.0054 0.0549 -0.0432 -0.0057 -0.0051 -0.0004 -0.0343 -0.4528 -0.2523 -0.0443 -0.0249 -0.4475 0.1305 -0.0244 0.0075 0.5671 0.1331 0.0261 -0.0300 0.2181 0.0122 0.0153 0.0559 0.0194 -0.2291 -0.0875 -0.0334 0.0357 -0.0583 0.0191 0.0162 0.0920 -0.0200 -0.1171 0.0045 -0.0278 -0.0005 -0.0112 0.0294 0.0745 -0.0303 0.0661 -0.0338 -0.0685 0.0308 -0.0513 0.0008 0.0106 0.0211 -0.0003 -0.0015 -0.0259 0.0025 0.0057 -0.0032 -0.0013 279. (0.00132) RY ( 3) C 4 s( 0.27%)p99.99( 80.24%)d55.55( 15.14%) f15.46( 4.22%)g 0.45( 0.12%) 0.0000 0.0012 0.0184 0.0484 0.0053 0.0041 0.0004 -0.0315 -0.6875 0.0356 0.0348 0.0118 0.5362 -0.1394 0.0224 0.0164 0.1322 0.0283 -0.0103 0.0089 -0.2083 0.0009 -0.0922 0.0849 -0.0060 0.2717 0.0693 0.0355 -0.0209 0.0445 -0.0102 -0.0082 -0.0986 0.0027 -0.0124 0.0184 0.0741 -0.0085 0.0095 -0.0321 0.1174 -0.0253 -0.0784 0.0345 -0.0942 0.0229 0.0619 -0.0029 -0.0042 -0.0126 0.0045 -0.0055 0.0276 -0.0092 -0.0119 0.0022 0.0044 280. (0.00061) RY ( 4) C 4 s( 1.43%)p31.00( 44.40%)d36.21( 51.87%) f 1.51( 2.16%)g 0.09( 0.13%) 0.0000 0.0039 0.1180 0.0184 0.0076 0.0001 0.0010 0.0091 0.0504 -0.4811 -0.1130 -0.0229 0.4115 0.0839 0.0035 0.0023 -0.1261 0.0550 0.0361 0.2115 0.5540 0.0369 0.0703 -0.1626 0.0420 0.1200 -0.2334 -0.0132 0.1424 -0.1368 0.0318 -0.0690 0.1340 -0.0276 0.0053 -0.0181 0.0288 0.0132 -0.0240 0.0477 0.0395 -0.0041 0.0260 -0.0632 0.0537 0.0125 0.0671 -0.0603 0.0083 -0.0059 0.0108 -0.0121 -0.0054 0.0033 0.0123 0.0069 -0.0262 281. (0.00035) RY ( 5) C 4 s( 59.99%)p 0.17( 10.49%)d 0.43( 25.78%) f 0.06( 3.49%)g 0.00( 0.25%) 0.0000 -0.0135 0.7476 -0.2016 -0.0073 -0.0117 -0.0003 0.0060 -0.0766 0.0118 0.0442 -0.0031 -0.2187 0.1402 -0.0373 0.0106 -0.1327 -0.0976 -0.0278 0.0740 -0.1858 -0.0143 0.0856 0.0155 -0.0266 0.3667 -0.1442 -0.0020 0.1282 -0.0582 0.0225 0.1815 -0.0236 0.0140 0.0804 -0.0139 -0.1426 0.0254 0.0371 -0.0085 0.0244 0.0027 0.0326 0.0116 0.0485 -0.0125 -0.0279 0.0274 0.0032 0.0229 -0.0032 0.0254 -0.0198 0.0153 0.0131 -0.0053 0.0219 282. (0.00023) RY ( 6) C 4 s( 0.12%)p99.99( 12.90%)d99.99( 16.22%) f99.99( 68.30%)g20.94( 2.47%) 0.0000 -0.0033 0.0337 0.0038 -0.0016 -0.0036 -0.0008 0.0171 0.1964 -0.1307 -0.2400 0.0031 -0.0582 0.0002 -0.0215 -0.0040 -0.0773 -0.0126 0.0735 0.0172 -0.0515 -0.0046 -0.0086 0.1832 0.0558 0.0881 0.0068 0.0020 -0.0105 0.1530 0.0447 0.0683 -0.2854 -0.0551 -0.5506 0.1692 0.1806 -0.0496 -0.0072 0.0016 0.5177 -0.1505 -0.0081 0.0053 -0.1502 0.0504 0.0130 -0.0040 0.1207 -0.0011 0.0182 -0.0928 -0.0049 -0.0040 -0.0235 0.0186 0.0149 283. (0.00017) RY ( 7) C 4 s( 9.16%)p 4.45( 40.73%)d 4.68( 42.87%) f 0.69( 6.35%)g 0.10( 0.90%) 0.0000 0.0076 0.2357 -0.1872 0.0155 0.0264 0.0015 -0.0046 -0.0637 0.4516 -0.0611 -0.0244 0.1965 0.1214 0.0327 -0.0086 -0.2054 0.2947 0.1073 -0.1387 0.1801 0.0106 -0.2707 0.3042 0.0145 -0.3697 -0.1194 -0.0055 0.1171 -0.1228 -0.0027 -0.0219 0.1750 -0.0065 -0.1070 0.0082 0.1156 -0.0542 0.0490 0.0195 -0.0013 -0.0260 0.1651 -0.0471 -0.0515 0.0076 -0.0042 -0.0001 0.0271 0.0680 -0.0024 -0.0287 -0.0313 -0.0409 -0.0043 0.0050 -0.0099 284. (0.00010) RY ( 8) C 4 s( 0.97%)p36.13( 34.91%)d59.58( 57.57%) f 6.33( 6.11%)g 0.46( 0.44%) 0.0000 0.0023 0.0575 0.0387 -0.0553 -0.0420 -0.0047 -0.0072 0.0148 0.4456 -0.0828 0.0252 -0.1389 -0.3029 -0.0360 -0.0018 0.1358 0.1095 0.0030 0.2561 0.3352 0.0158 0.0011 -0.0616 -0.0239 0.2698 -0.2298 0.0155 -0.4777 0.1365 -0.0371 -0.0593 0.1077 -0.0632 0.0142 0.0000 -0.0280 0.0250 -0.1194 0.0400 0.1153 -0.0319 -0.0917 -0.0312 0.0791 -0.0117 0.1085 -0.0424 0.0364 -0.0148 0.0254 -0.0167 0.0154 0.0233 -0.0016 -0.0259 -0.0222 285. (0.00008) RY ( 9) C 4 s( 8.43%)p 2.03( 17.12%)d 7.83( 66.04%) f 0.90( 7.61%)g 0.09( 0.80%) 286. (0.00005) RY (10) C 4 s( 10.28%)p 4.29( 44.13%)d 3.20( 32.93%) f 1.18( 12.11%)g 0.05( 0.55%) 287. (0.00003) RY (11) C 4 s( 3.84%)p 9.84( 37.79%)d 8.63( 33.12%) f 6.18( 23.73%)g 0.40( 1.52%) 288. (0.00002) RY (12) C 4 s( 4.87%)p 3.03( 14.74%)d11.93( 58.11%) f 3.97( 19.32%)g 0.61( 2.96%) 289. (0.00002) RY (13) C 4 s( 10.26%)p 3.54( 36.30%)d 4.20( 43.14%) f 0.94( 9.63%)g 0.07( 0.67%) 290. (0.00001) RY (14) C 4 s( 3.52%)p 3.63( 12.78%)d15.52( 54.66%) f 7.52( 26.51%)g 0.72( 2.54%) 291. (0.00001) RY (15) C 4 s( 8.73%)p 0.66( 5.73%)d 4.30( 37.49%) f 3.97( 34.60%)g 1.54( 13.45%) 292. (0.00000) RY (16) C 4 s( 5.33%)p 2.74( 14.62%)d 8.90( 47.46%) f 5.43( 28.97%)g 0.68( 3.62%) 293. (0.00000) RY (17) C 4 s( 16.55%)p 0.74( 12.29%)d 3.07( 50.80%) f 1.09( 18.05%)g 0.14( 2.31%) 294. (0.00001) RY (18) C 4 s( 8.02%)p 1.06( 8.49%)d 2.86( 22.94%) f 5.71( 45.84%)g 1.83( 14.71%) 295. (0.00000) RY (19) C 4 s( 0.75%)p 8.23( 6.16%)d17.70( 13.26%) f29.75( 22.28%)g76.82( 57.54%) 296. (0.00000) RY (20) C 4 s( 2.03%)p 1.12( 2.26%)d21.35( 43.32%) f 6.99( 14.17%)g18.84( 38.21%) 297. (0.00000) RY (21) C 4 s( 5.10%)p 0.47( 2.38%)d 1.78( 9.11%) f 4.15( 21.17%)g12.20( 62.25%) 298. (0.00000) RY (22) C 4 s( 13.65%)p 0.39( 5.36%)d 0.98( 13.41%) f 1.85( 25.22%)g 3.10( 42.36%) 299. (0.00000) RY (23) C 4 s( 1.68%)p 4.93( 8.28%)d18.15( 30.52%) f17.47( 29.36%)g17.94( 30.15%) 300. (0.00000) RY (24) C 4 s( 40.48%)p 0.11( 4.64%)d 0.64( 25.78%) f 0.42( 16.96%)g 0.30( 12.14%) 301. (0.00000) RY (25) C 4 s( 11.95%)p 0.66( 7.91%)d 3.13( 37.36%) f 2.18( 26.09%)g 1.40( 16.69%) 302. (0.00000) RY (26) C 4 s( 16.98%)p 0.83( 14.07%)d 1.41( 23.97%) f 1.94( 32.91%)g 0.71( 12.07%) 303. (0.00000) RY (27) C 4 s( 9.98%)p 1.55( 15.45%)d 2.86( 28.53%) f 2.48( 24.72%)g 2.14( 21.32%) 304. (0.00000) RY (28) C 4 s( 2.55%)p14.28( 36.39%)d15.81( 40.31%) f 6.14( 15.65%)g 2.00( 5.11%) 305. (0.00000) RY (29) C 4 s( 0.45%)p58.10( 25.91%)d61.96( 27.63%) f73.30( 32.69%)g29.87( 13.32%) 306. (0.00000) RY (30) C 4 s( 10.10%)p 2.28( 22.98%)d 3.97( 40.09%) f 1.58( 15.94%)g 1.08( 10.89%) 307. (0.00000) RY (31) C 4 s( 1.85%)p11.61( 21.52%)d 8.41( 15.59%) f30.07( 55.71%)g 2.88( 5.34%) 308. (0.00000) RY (32) C 4 s( 7.49%)p 3.12( 23.36%)d 3.77( 28.25%) f 4.84( 36.29%)g 0.61( 4.61%) 309. (0.00000) RY (33) C 4 s( 1.50%)p12.26( 18.41%)d15.00( 22.54%) f28.30( 42.51%)g10.01( 15.04%) 310. (0.00000) RY (34) C 4 s( 6.95%)p 4.03( 27.97%)d 1.72( 11.96%) f 6.44( 44.76%)g 1.20( 8.36%) 311. (0.00000) RY (35) C 4 s( 1.21%)p16.97( 20.54%)d28.00( 33.89%) f33.55( 40.60%)g 3.11( 3.76%) 312. (0.00000) RY (36) C 4 s( 19.26%)p 0.61( 11.80%)d 2.22( 42.80%) f 1.22( 23.45%)g 0.14( 2.69%) 313. (0.00000) RY (37) C 4 s( 16.16%)p 0.76( 12.35%)d 1.66( 26.84%) f 2.66( 43.02%)g 0.10( 1.63%) 314. (0.00000) RY (38) C 4 s( 10.26%)p 1.21( 12.39%)d 5.88( 60.28%) f 1.60( 16.41%)g 0.06( 0.66%) 315. (0.00000) RY (39) C 4 s( 74.62%)p 0.00( 0.35%)d 0.04( 3.35%) f 0.17( 12.42%)g 0.12( 9.25%) 316. (0.00000) RY (40) C 4 s( 8.59%)p 0.07( 0.56%)d 0.56( 4.83%) f 3.91( 33.54%)g 6.11( 52.48%) 317. (0.00000) RY (41) C 4 s( 8.90%)p 0.06( 0.56%)d 0.51( 4.53%) f 3.80( 33.82%)g 5.86( 52.18%) 318. (0.00000) RY (42) C 4 s( 4.37%)p 0.21( 0.92%)d 6.51( 28.49%) f11.60( 50.75%)g 3.53( 15.46%) 319. (0.00000) RY (43) C 4 s( 0.76%)p 0.53( 0.41%)d18.73( 14.31%) f47.61( 36.39%)g62.98( 48.13%) 320. (0.00000) RY (44) C 4 s( 2.04%)p 0.51( 1.05%)d11.26( 23.01%) f17.47( 35.70%)g18.69( 38.20%) 321. (0.00000) RY (45) C 4 s( 2.11%)p 0.38( 0.81%)d 9.45( 19.95%) f13.06( 27.57%)g23.47( 49.56%) 322. (0.00000) RY (46) C 4 s( 13.64%)p 0.07( 0.97%)d 1.65( 22.49%) f 3.77( 51.45%)g 0.84( 11.44%) 323. (0.00000) RY (47) C 4 s( 1.23%)p 0.63( 0.77%)d 9.19( 11.36%) f27.18( 33.56%)g42.98( 53.08%) 324. (0.00000) RY (48) C 4 s( 2.17%)p 0.32( 0.70%)d14.71( 31.99%) f17.21( 37.44%)g12.73( 27.69%) 325. (0.00000) RY (49) C 4 s( 5.11%)p 0.39( 1.98%)d 4.80( 24.53%) f 7.69( 39.24%)g 5.71( 29.14%) 326. (0.00000) RY (50) C 4 s( 38.10%)p 0.04( 1.46%)d 0.42( 15.89%) f 0.79( 30.19%)g 0.38( 14.37%) 327. (0.00000) RY (51) C 4 s( 1.21%)p 0.95( 1.15%)d15.10( 18.22%) f25.42( 30.69%)g40.37( 48.73%) 328. (0.00000) RY (52) C 4 s( 2.07%)p 1.16( 2.40%)d 5.51( 11.41%) f22.07( 45.70%)g18.55( 38.42%) 329. (0.00201) RY ( 1) C 5 s( 3.42%)p22.16( 75.85%)d 5.87( 20.11%) f 0.14( 0.47%)g 0.04( 0.15%) 0.0000 0.0114 0.1835 0.0119 0.0156 -0.0076 -0.0005 -0.0138 0.8643 -0.0417 -0.0034 -0.0323 0.0592 -0.0164 0.0061 0.0080 -0.0673 0.0043 -0.0010 0.0760 -0.0237 0.0144 0.0299 -0.0678 -0.0031 0.0656 -0.0720 0.0038 0.0292 0.1016 0.0220 0.2445 -0.3287 0.0071 -0.0108 -0.0037 0.0172 0.0170 0.0289 -0.0050 0.0055 0.0060 0.0126 -0.0014 -0.0191 -0.0215 -0.0455 0.0035 0.0245 0.0147 0.0066 -0.0217 -0.0035 -0.0020 -0.0095 -0.0042 0.0030 330. (0.00146) RY ( 2) C 5 s( 0.05%)p99.99( 94.34%)d21.70( 1.02%) f97.37( 4.58%)g 0.43( 0.02%) 0.0000 0.0010 0.0207 0.0060 0.0014 0.0003 -0.0001 -0.0055 -0.0758 0.0007 0.0017 -0.0100 -0.1224 -0.0189 0.0012 -0.0505 -0.9426 -0.1760 -0.0127 -0.0104 0.0187 0.0035 -0.0390 0.0622 0.0184 -0.0221 0.0385 0.0046 0.0089 -0.0006 0.0015 0.0245 -0.0363 -0.0023 -0.1845 0.0501 -0.0511 0.0134 -0.0736 0.0231 0.0169 0.0050 -0.0070 -0.0040 0.0064 0.0012 0.0053 -0.0003 -0.0036 0.0106 0.0016 0.0019 0.0018 -0.0080 0.0012 -0.0008 -0.0011 331. (0.00072) RY ( 3) C 5 s( 7.41%)p10.84( 80.30%)d 1.10( 8.18%) f 0.52( 3.84%)g 0.04( 0.27%) 0.0000 -0.0151 0.1959 -0.1876 -0.0130 -0.0101 0.0016 0.0015 0.0548 -0.1080 -0.0172 0.0075 -0.8518 0.2082 -0.0550 -0.0022 0.1165 -0.0495 0.0046 -0.2523 -0.0840 -0.0349 0.0329 0.0127 0.0091 0.0119 0.0156 0.0113 0.0439 0.0106 0.0026 -0.0698 -0.0316 0.0118 0.0147 -0.0095 0.0965 -0.0001 -0.1153 0.0265 0.0564 -0.0124 -0.0127 -0.0011 -0.1025 0.0062 0.0139 0.0241 0.0064 -0.0099 -0.0102 -0.0071 0.0373 -0.0091 0.0101 0.0079 -0.0268 332. (0.00040) RY ( 4) C 5 s( 2.63%)p14.81( 38.99%)d20.36( 53.62%) f 1.71( 4.51%)g 0.09( 0.24%) 0.0000 -0.0018 0.1592 -0.0312 -0.0001 -0.0014 -0.0003 0.0036 -0.0608 -0.0192 0.0103 -0.0038 0.0055 0.1421 0.0254 -0.0079 -0.1151 0.5745 0.1465 0.0140 -0.0697 -0.0148 -0.1723 0.1694 -0.0602 -0.2097 -0.6107 -0.0482 0.0970 0.0861 0.0085 0.1209 0.1310 0.0319 0.0005 -0.0002 0.0695 -0.0379 -0.0242 -0.0131 -0.1226 0.0123 -0.0929 0.1077 0.0026 -0.0186 -0.0443 0.0183 -0.0133 -0.0177 0.0260 -0.0206 0.0030 0.0022 0.0283 -0.0043 0.0031 333. (0.00037) RY ( 5) C 5 s( 11.97%)p 4.67( 55.88%)d 2.54( 30.39%) f 0.13( 1.57%)g 0.02( 0.20%) 0.0000 -0.0057 0.3450 -0.0222 -0.0080 -0.0090 -0.0002 0.0211 -0.1678 -0.6366 -0.0623 -0.0063 0.1619 0.2805 0.0035 0.0016 0.0181 -0.1249 -0.0129 0.3108 -0.0830 0.0118 -0.0208 -0.0020 0.0085 0.1240 0.0763 0.0255 0.3355 -0.2275 0.0470 0.1042 -0.0197 0.0120 -0.0220 0.0038 0.0612 -0.0175 0.0339 -0.0042 0.0375 -0.0030 0.0501 -0.0275 -0.0039 0.0099 -0.0719 -0.0017 -0.0188 -0.0176 -0.0065 0.0349 0.0015 0.0050 0.0051 -0.0016 0.0009 334. (0.00026) RY ( 6) C 5 s( 48.72%)p 0.75( 36.35%)d 0.16( 7.79%) f 0.14( 6.70%)g 0.01( 0.45%) 0.0000 -0.0046 0.6872 -0.1220 0.0087 0.0056 -0.0029 -0.0044 -0.1473 0.5704 0.0572 -0.0106 0.0695 -0.0219 0.0284 0.0008 -0.0022 -0.0828 0.0110 0.1664 -0.0797 -0.0208 -0.0350 -0.0945 0.0026 0.0540 0.0741 0.0068 0.1123 0.0149 -0.0401 -0.0661 -0.0770 0.0078 0.1570 -0.0355 0.0421 -0.0298 -0.0428 0.0092 -0.0529 0.0070 0.0409 -0.0212 0.1343 0.0000 0.1158 -0.0068 0.0298 -0.0153 -0.0092 -0.0343 0.0191 -0.0113 -0.0032 0.0395 0.0047 335. (0.00024) RY ( 7) C 5 s( 1.77%)p 7.07( 12.54%)d10.09( 17.91%) f37.05( 65.74%)g 1.15( 2.04%) 0.0000 -0.0017 0.1307 -0.0253 0.0027 -0.0021 -0.0007 0.0019 0.0043 0.0683 -0.0146 0.0045 0.0255 -0.0712 -0.0288 0.0172 0.2081 -0.1268 -0.2330 0.0905 0.0108 0.0122 -0.0721 0.3481 0.0820 0.0164 -0.1703 -0.0174 -0.0079 0.0793 -0.0004 -0.0389 -0.0007 -0.0110 -0.6203 0.1846 -0.1829 0.0477 -0.1365 0.0432 0.3735 -0.1042 -0.1236 0.0447 0.0960 -0.0205 0.0693 -0.0165 -0.0450 0.1165 0.0047 0.0237 0.0290 -0.0563 0.0120 -0.0005 -0.0062 336. (0.00015) RY ( 8) C 5 s( 0.62%)p57.41( 35.78%)d84.72( 52.80%) f16.29( 10.15%)g 1.04( 0.65%) 0.0000 0.0084 -0.0468 0.0245 0.0041 0.0579 -0.0016 -0.0092 -0.1299 0.1094 0.0647 -0.0285 0.2438 0.5039 0.0059 0.0053 0.0021 0.0603 -0.0827 -0.5404 0.0713 -0.0440 0.0435 0.0035 0.0190 0.1886 0.0439 0.0020 0.0738 -0.0399 0.0379 0.3339 -0.2627 -0.0093 0.0271 0.0045 -0.1253 0.0434 -0.1878 0.0382 0.0542 -0.0234 -0.0623 -0.0005 0.0284 -0.0145 0.1947 -0.0129 0.0395 0.0357 0.0044 -0.0034 0.0459 -0.0268 0.0010 -0.0174 -0.0221 337. (0.00012) RY ( 9) C 5 s( 0.38%)p99.99( 39.18%)d99.99( 55.03%) f11.34( 4.29%)g 2.95( 1.12%) 0.0000 -0.0017 0.0527 -0.0248 0.0041 -0.0193 0.0005 0.0026 0.0056 0.0117 -0.0395 0.0051 -0.0516 -0.0224 -0.0249 -0.0092 -0.0173 0.6113 -0.1103 0.0699 0.0730 0.0182 -0.2353 0.0115 0.0440 -0.2111 0.6382 -0.0355 -0.0131 -0.0888 0.0034 0.0324 -0.1410 0.0150 -0.1733 0.0464 0.0115 0.0182 -0.0053 0.0110 0.0260 -0.0250 -0.0120 -0.0640 -0.0130 0.0150 -0.0642 -0.0092 -0.0217 0.0674 -0.0303 0.0482 -0.0093 -0.0501 -0.0081 -0.0057 -0.0143 338. (0.00006) RY (10) C 5 s( 5.65%)p 3.65( 20.62%)d11.23( 63.43%) f 1.58( 8.95%)g 0.24( 1.36%) 339. (0.00004) RY (11) C 5 s( 22.78%)p 1.32( 30.16%)d 1.43( 32.64%) f 0.61( 13.97%)g 0.02( 0.45%) 340. (0.00003) RY (12) C 5 s( 1.16%)p11.08( 12.80%)d42.54( 49.14%) f31.04( 35.86%)g 0.91( 1.05%) 341. (0.00002) RY (13) C 5 s( 8.42%)p 1.34( 11.30%)d 6.11( 51.49%) f 3.07( 25.87%)g 0.35( 2.92%) 342. (0.00001) RY (14) C 5 s( 8.17%)p 1.30( 10.65%)d 7.30( 59.64%) f 1.95( 15.90%)g 0.69( 5.64%) 343. (0.00001) RY (15) C 5 s( 0.54%)p 4.77( 2.59%)d78.57( 42.67%) f94.48( 51.32%)g 5.29( 2.87%) 344. (0.00001) RY (16) C 5 s( 1.42%)p12.61( 17.86%)d38.71( 54.81%) f16.97( 24.03%)g 1.33( 1.89%) 345. (0.00001) RY (17) C 5 s( 5.98%)p 0.94( 5.59%)d 7.27( 43.43%) f 5.53( 33.04%)g 2.00( 11.96%) 346. (0.00000) RY (18) C 5 s( 3.00%)p 7.04( 21.12%)d 5.54( 16.60%) f15.83( 47.46%)g 3.95( 11.83%) 347. (0.00000) RY (19) C 5 s( 12.98%)p 1.15( 14.97%)d 3.15( 40.94%) f 2.31( 30.04%)g 0.08( 1.07%) 348. (0.00000) RY (20) C 5 s( 54.52%)p 0.11( 5.79%)d 0.48( 25.98%) f 0.22( 12.15%)g 0.03( 1.55%) 349. (0.00000) RY (21) C 5 s( 2.09%)p 1.68( 3.51%)d10.69( 22.34%) f18.83( 39.34%)g15.66( 32.73%) 350. (0.00000) RY (22) C 5 s( 4.76%)p 1.46( 6.96%)d 4.17( 19.84%) f 5.08( 24.20%)g 9.29( 44.24%) 351. (0.00000) RY (23) C 5 s( 18.99%)p 0.07( 1.28%)d 1.67( 31.76%) f 1.48( 28.14%)g 1.04( 19.82%) 352. (0.00000) RY (24) C 5 s( 1.13%)p 0.49( 0.55%)d24.43( 27.72%) f25.42( 28.85%)g36.78( 41.74%) 353. (0.00000) RY (25) C 5 s( 10.84%)p 0.45( 4.83%)d 0.88( 9.51%) f 2.05( 22.28%)g 4.85( 52.54%) 354. (0.00000) RY (26) C 5 s( 2.03%)p 3.10( 6.30%)d17.18( 34.84%) f23.07( 46.78%)g 4.96( 10.06%) 355. (0.00000) RY (27) C 5 s( 2.73%)p 3.47( 9.47%)d13.64( 37.26%) f 9.35( 25.52%)g 9.16( 25.02%) 356. (0.00000) RY (28) C 5 s( 11.33%)p 2.21( 25.06%)d 1.95( 22.06%) f 2.39( 27.11%)g 1.27( 14.43%) 357. (0.00000) RY (29) C 5 s( 6.04%)p 2.36( 14.28%)d 3.97( 24.00%) f 7.00( 42.32%)g 2.21( 13.36%) 358. (0.00000) RY (30) C 5 s( 11.88%)p 0.75( 8.90%)d 2.39( 28.44%) f 1.90( 22.56%)g 2.37( 28.21%) 359. (0.00000) RY (31) C 5 s( 29.53%)p 0.31( 9.24%)d 0.71( 20.95%) f 1.10( 32.49%)g 0.26( 7.79%) 360. (0.00000) RY (32) C 5 s( 6.38%)p 0.99( 6.34%)d 7.26( 46.28%) f 5.65( 36.06%)g 0.78( 4.95%) 361. (0.00000) RY (33) C 5 s( 1.48%)p17.89( 26.51%)d27.69( 41.02%) f16.62( 24.61%)g 4.31( 6.38%) 362. (0.00000) RY (34) C 5 s( 1.75%)p29.70( 51.88%)d10.89( 19.03%) f13.03( 22.76%)g 2.62( 4.58%) 363. (0.00000) RY (35) C 5 s( 6.87%)p 3.91( 26.84%)d 5.78( 39.68%) f 2.96( 20.34%)g 0.91( 6.28%) 364. (0.00000) RY (36) C 5 s( 2.60%)p 6.84( 17.80%)d14.53( 37.78%) f14.64( 38.08%)g 1.44( 3.74%) 365. (0.00000) RY (37) C 5 s( 1.86%)p15.30( 28.49%)d21.51( 40.06%) f13.98( 26.04%)g 1.90( 3.54%) 366. (0.00000) RY (38) C 5 s( 9.24%)p 1.72( 15.86%)d 6.12( 56.54%) f 1.09( 10.11%)g 0.89( 8.25%) 367. (0.00000) RY (39) C 5 s( 82.45%)p 0.00( 0.10%)d 0.07( 5.70%) f 0.11( 8.84%)g 0.04( 2.91%) 368. (0.00000) RY (40) C 5 s( 1.39%)p 0.31( 0.44%)d10.98( 15.30%) f19.44( 27.09%)g40.03( 55.79%) 369. (0.00000) RY (41) C 5 s( 7.37%)p 0.22( 1.65%)d 0.88( 6.50%) f 3.63( 26.75%)g 7.83( 57.74%) 370. (0.00000) RY (42) C 5 s( 14.28%)p 0.04( 0.54%)d 0.50( 7.20%) f 2.57( 36.65%)g 2.90( 41.34%) 371. (0.00000) RY (43) C 5 s( 7.43%)p 0.00( 0.01%)d 1.34( 9.99%) f 7.47( 55.48%)g 3.65( 27.09%) 372. (0.00000) RY (44) C 5 s( 2.02%)p 0.69( 1.38%)d13.91( 28.10%) f19.77( 39.92%)g14.15( 28.57%) 373. (0.00000) RY (45) C 5 s( 4.17%)p 0.10( 0.41%)d 1.38( 5.73%) f11.19( 46.63%)g10.34( 43.07%) 374. (0.00000) RY (46) C 5 s( 5.91%)p 0.50( 2.93%)d 3.33( 19.69%) f 7.09( 41.89%)g 5.01( 29.59%) 375. (0.00000) RY (47) C 5 s( 14.87%)p 0.02( 0.36%)d 2.01( 29.90%) f 1.74( 25.83%)g 1.95( 29.05%) 376. (0.00000) RY (48) C 5 s( 11.56%)p 0.02( 0.24%)d 0.28( 3.20%) f 4.58( 52.94%)g 2.77( 32.06%) 377. (0.00000) RY (49) C 5 s( 6.41%)p 0.18( 1.16%)d 3.54( 22.68%) f 5.72( 36.71%)g 5.15( 33.04%) 378. (0.00000) RY (50) C 5 s( 4.16%)p 0.59( 2.43%)d 4.91( 20.41%) f 8.09( 33.64%)g 9.47( 39.36%) 379. (0.00000) RY (51) C 5 s( 2.25%)p 0.88( 1.99%)d10.87( 24.52%) f 5.10( 11.49%)g26.50( 59.75%) 380. (0.00000) RY (52) C 5 s( 2.79%)p 0.09( 0.26%)d 4.94( 13.80%) f13.59( 37.94%)g16.20( 45.21%) 381. (0.00206) RY ( 1) C 6 s( 1.77%)p45.29( 80.00%)d10.03( 17.73%) f 0.21( 0.36%)g 0.08( 0.14%) 0.0000 0.0113 0.1286 0.0251 0.0177 -0.0068 -0.0006 0.0093 0.6200 -0.0078 -0.0065 0.0346 -0.6297 0.0427 -0.0016 -0.0075 0.1249 -0.0108 0.0007 -0.0243 -0.0948 -0.0196 -0.0167 0.0465 0.0024 0.0636 -0.1076 -0.0014 -0.0492 0.0233 -0.0133 0.2187 -0.3133 0.0086 0.0106 0.0062 -0.0114 0.0142 -0.0270 -0.0071 0.0134 -0.0030 0.0059 0.0087 0.0385 0.0102 -0.0107 0.0194 0.0192 -0.0119 0.0190 0.0040 0.0192 -0.0099 0.0022 0.0044 0.0046 382. (0.00148) RY ( 2) C 6 s( 0.03%)p99.99( 94.67%)d24.12( 0.77%) f99.99( 4.51%)g 0.48( 0.02%) 0.0000 0.0004 0.0177 -0.0026 0.0005 -0.0004 0.0000 -0.0016 -0.0367 -0.0111 -0.0012 0.0105 0.1619 0.0321 0.0045 0.0496 0.9404 0.1748 0.0227 -0.0018 -0.0082 -0.0033 0.0297 -0.0242 -0.0082 -0.0153 0.0619 0.0205 -0.0026 -0.0107 -0.0041 0.0159 -0.0344 -0.0068 0.1789 -0.0503 -0.0280 0.0042 0.0922 -0.0274 0.0001 -0.0058 0.0214 0.0054 -0.0047 -0.0001 -0.0009 -0.0017 -0.0054 -0.0043 0.0073 -0.0024 -0.0042 -0.0035 -0.0038 0.0013 -0.0008 383. (0.00084) RY ( 3) C 6 s( 2.22%)p31.64( 70.35%)d11.02( 24.51%) f 1.26( 2.80%)g 0.05( 0.12%) 0.0000 0.0078 0.1392 0.0492 0.0188 0.0033 -0.0023 0.0100 -0.6693 -0.0089 -0.0073 -0.0003 -0.4879 0.1113 -0.0224 -0.0003 0.0540 -0.0386 0.0022 -0.1800 0.0524 -0.0167 0.0129 -0.0208 0.0030 -0.0350 -0.0247 -0.0072 -0.4214 0.0226 -0.0394 0.1561 -0.0558 0.0050 0.0165 -0.0104 -0.1025 0.0153 -0.0616 0.0265 0.0455 -0.0048 -0.0382 0.0068 -0.0236 0.0171 -0.0889 -0.0056 -0.0020 0.0087 0.0075 0.0205 -0.0113 -0.0015 0.0117 0.0036 0.0183 384. (0.00047) RY ( 4) C 6 s( 55.15%)p 0.34( 18.60%)d 0.42( 23.42%) f 0.05( 2.52%)g 0.01( 0.31%) 0.0000 -0.0146 0.6895 -0.2755 -0.0087 -0.0054 -0.0001 0.0093 0.0758 -0.1951 0.0153 -0.0078 0.3284 -0.1627 0.0417 0.0019 -0.0579 -0.0427 -0.0261 -0.3341 0.0558 -0.0128 0.0690 -0.0744 0.0088 -0.0161 -0.0745 0.0082 -0.1597 0.1930 0.0197 0.1136 -0.1602 0.0369 0.0173 0.0005 0.1456 -0.0255 -0.0267 0.0031 -0.0134 0.0119 0.0356 -0.0076 -0.0152 -0.0057 0.0143 0.0138 0.0116 -0.0027 -0.0105 -0.0392 0.0060 0.0104 -0.0215 -0.0135 -0.0220 385. (0.00040) RY ( 5) C 6 s( 0.93%)p35.62( 32.95%)d67.62( 62.55%) f 3.60( 3.33%)g 0.26( 0.24%) 0.0000 -0.0015 0.0903 -0.0330 0.0012 0.0001 -0.0002 0.0019 -0.0084 -0.0395 -0.0063 -0.0018 0.0068 0.0822 0.0328 -0.0069 -0.1136 0.5323 0.1538 -0.0514 0.1163 -0.0108 0.0210 0.6300 -0.0278 0.2232 0.3612 0.0689 -0.0631 -0.0821 -0.0099 -0.0616 -0.1053 -0.0205 -0.0468 0.0162 -0.0018 -0.0084 0.0095 -0.0297 0.0814 -0.1105 0.0939 -0.0107 -0.0321 0.0089 0.0170 -0.0255 0.0097 -0.0269 -0.0194 0.0003 -0.0193 -0.0250 0.0095 -0.0030 -0.0100 386. (0.00023) RY ( 6) C 6 s( 0.00%)p 1.00( 12.38%)d 1.10( 13.65%) f 5.77( 71.47%)g 0.20( 2.50%) 0.0000 -0.0007 0.0004 0.0016 0.0005 -0.0011 0.0000 -0.0002 0.0200 -0.0105 -0.0128 -0.0053 -0.0255 0.0192 0.0536 -0.0168 -0.2125 0.0362 0.2692 -0.0034 -0.0548 -0.0172 -0.0271 -0.2336 -0.0799 -0.0908 0.2257 0.0422 -0.0151 -0.0246 -0.0069 0.0238 -0.0935 -0.0195 0.6328 -0.1875 -0.1794 0.0533 0.2957 -0.0928 -0.1749 0.0395 0.3118 -0.0939 -0.0741 0.0224 -0.0600 0.0131 -0.0706 -0.0818 0.0753 -0.0141 -0.0627 -0.0246 -0.0509 0.0157 -0.0066 387. (0.00016) RY ( 7) C 6 s( 3.99%)p10.03( 40.06%)d11.89( 47.48%) f 1.97( 7.88%)g 0.15( 0.60%) 0.0000 0.0101 0.1439 -0.1295 -0.0174 0.0453 -0.0023 0.0082 -0.3085 0.3109 0.1097 0.0301 -0.1124 -0.4093 -0.0909 -0.0060 -0.0001 0.0778 0.0347 0.1371 -0.1327 0.0128 -0.0106 0.0218 -0.0041 0.2011 -0.1007 0.0093 0.5067 -0.0670 0.0381 0.2650 -0.2323 -0.0018 -0.0706 0.0071 0.0167 0.0025 0.1819 -0.0313 -0.0913 0.0140 -0.0144 0.0009 -0.1423 0.0148 0.1008 0.0035 0.0485 -0.0211 0.0223 -0.0436 0.0136 0.0004 -0.0178 0.0057 -0.0150 388. (0.00008) RY ( 8) C 6 s( 20.29%)p 1.82( 37.03%)d 1.77( 35.97%) f 0.26( 5.27%)g 0.07( 1.44%) 389. (0.00007) RY ( 9) C 6 s( 0.01%)p99.99( 24.61%)d99.99( 52.57%) f99.99( 22.04%)g63.63( 0.77%) 390. (0.00004) RY (10) C 6 s( 3.49%)p 5.36( 18.69%)d19.57( 68.22%) f 2.69( 9.39%)g 0.06( 0.21%) 391. (0.00004) RY (11) C 6 s( 2.15%)p11.17( 24.07%)d29.99( 64.63%) f 4.13( 8.89%)g 0.12( 0.26%) 392. (0.00002) RY (12) C 6 s( 6.84%)p 6.65( 45.49%)d 4.32( 29.50%) f 2.53( 17.28%)g 0.13( 0.89%) 393. (0.00002) RY (13) C 6 s( 18.54%)p 2.04( 37.87%)d 1.47( 27.22%) f 0.84( 15.56%)g 0.04( 0.81%) 394. (0.00001) RY (14) C 6 s( 4.24%)p 1.51( 6.39%)d11.12( 47.16%) f 5.05( 21.40%)g 4.91( 20.80%) 395. (0.00001) RY (15) C 6 s( 19.55%)p 0.68( 13.25%)d 1.05( 20.58%) f 2.02( 39.49%)g 0.36( 7.13%) 396. (0.00001) RY (16) C 6 s( 1.09%)p 9.43( 10.32%)d25.52( 27.92%) f54.45( 59.56%)g 1.01( 1.11%) 397. (0.00000) RY (17) C 6 s( 8.02%)p 0.67( 5.40%)d 1.87( 15.01%) f 3.45( 27.65%)g 5.48( 43.92%) 398. (0.00000) RY (18) C 6 s( 5.75%)p 0.45( 2.58%)d 2.73( 15.69%) f 8.01( 46.01%)g 5.22( 29.98%) 399. (0.00000) RY (19) C 6 s( 1.29%)p 0.94( 1.21%)d37.94( 49.06%) f15.48( 20.01%)g21.98( 28.42%) 400. (0.00000) RY (20) C 6 s( 1.38%)p 4.75( 6.56%)d23.25( 32.10%) f18.56( 25.62%)g24.87( 34.34%) 401. (0.00000) RY (21) C 6 s( 0.51%)p15.89( 8.17%)d53.01( 27.25%) f94.92( 48.79%)g29.72( 15.28%) 402. (0.00000) RY (22) C 6 s( 10.98%)p 0.13( 1.47%)d 1.30( 14.24%) f 2.18( 23.96%)g 4.49( 49.34%) 403. (0.00000) RY (23) C 6 s( 3.27%)p 0.77( 2.52%)d 2.66( 8.70%) f 3.91( 12.80%)g22.23( 72.71%) 404. (0.00000) RY (24) C 6 s( 12.57%)p 1.26( 15.86%)d 1.82( 22.94%) f 2.63( 33.08%)g 1.24( 15.55%) 405. (0.00000) RY (25) C 6 s( 19.56%)p 1.20( 23.54%)d 0.71( 13.81%) f 0.73( 14.35%)g 1.47( 28.74%) 406. (0.00000) RY (26) C 6 s( 15.85%)p 1.20( 19.08%)d 1.71( 27.12%) f 1.65( 26.17%)g 0.74( 11.78%) 407. (0.00000) RY (27) C 6 s( 3.31%)p 1.14( 3.77%)d19.02( 63.02%) f 5.97( 19.79%)g 3.05( 10.10%) 408. (0.00000) RY (28) C 6 s( 11.20%)p 3.47( 38.89%)d 1.79( 20.04%) f 1.87( 20.95%)g 0.80( 8.92%) 409. (0.00000) RY (29) C 6 s( 0.99%)p14.05( 13.92%)d38.69( 38.31%) f45.68( 45.24%)g 1.55( 1.54%) 410. (0.00000) RY (30) C 6 s( 0.40%)p50.23( 20.12%)d85.31( 34.17%) f55.09( 22.06%)g58.05( 23.25%) 411. (0.00000) RY (31) C 6 s( 3.23%)p 7.51( 24.23%)d 8.73( 28.17%) f 9.37( 30.23%)g 4.38( 14.14%) 412. (0.00000) RY (32) C 6 s( 6.62%)p 5.42( 35.90%)d 3.44( 22.78%) f 3.40( 22.49%)g 1.84( 12.20%) 413. (0.00000) RY (33) C 6 s( 8.83%)p 3.38( 29.82%)d 2.10( 18.50%) f 4.35( 38.44%)g 0.50( 4.41%) 414. (0.00000) RY (34) C 6 s( 11.68%)p 1.04( 12.15%)d 2.83( 33.04%) f 3.50( 40.83%)g 0.20( 2.29%) 415. (0.00000) RY (35) C 6 s( 0.76%)p14.12( 10.71%)d77.70( 58.96%) f34.39( 26.10%)g 4.58( 3.47%) 416. (0.00000) RY (36) C 6 s( 7.50%)p 1.87( 14.06%)d 6.90( 51.77%) f 3.18( 23.84%)g 0.38( 2.82%) 417. (0.00000) RY (37) C 6 s( 23.31%)p 0.18( 4.10%)d 1.78( 41.39%) f 1.27( 29.51%)g 0.07( 1.70%) 418. (0.00000) RY (38) C 6 s( 32.66%)p 0.12( 3.94%)d 1.08( 35.17%) f 0.68( 22.12%)g 0.19( 6.11%) 419. (0.00000) RY (39) C 6 s( 0.06%)p99.99( 24.13%)d99.99( 54.64%) f99.99( 20.91%)g 4.46( 0.26%) 420. (0.00000) RY (40) C 6 s( 75.76%)p 0.00( 0.25%)d 0.03( 2.24%) f 0.20( 14.81%)g 0.09( 6.94%) 421. (0.00000) RY (41) C 6 s( 11.63%)p 0.03( 0.32%)d 1.02( 11.92%) f 4.57( 53.18%)g 1.97( 22.96%) 422. (0.00000) RY (42) C 6 s( 22.42%)p 0.02( 0.35%)d 0.44( 9.87%) f 1.45( 32.52%)g 1.55( 34.84%) 423. (0.00000) RY (43) C 6 s( 6.68%)p 0.11( 0.76%)d 1.49( 9.98%) f 4.63( 30.92%)g 7.74( 51.67%) 424. (0.00000) RY (44) C 6 s( 1.42%)p 0.52( 0.74%)d17.80( 25.25%) f23.88( 33.88%)g27.29( 38.71%) 425. (0.00000) RY (45) C 6 s( 4.62%)p 0.12( 0.55%)d 1.64( 7.55%) f 7.47( 34.48%)g11.44( 52.80%) 426. (0.00000) RY (46) C 6 s( 5.41%)p 0.22( 1.18%)d 3.77( 20.38%) f 7.90( 42.70%)g 5.61( 30.33%) 427. (0.00000) RY (47) C 6 s( 1.42%)p 0.34( 0.49%)d 5.05( 7.18%) f49.83( 70.83%)g14.13( 20.09%) 428. (0.00000) RY (48) C 6 s( 2.04%)p 0.72( 1.48%)d 8.77( 17.91%) f22.72( 46.41%)g15.74( 32.16%) 429. (0.00000) RY (49) C 6 s( 4.18%)p 0.32( 1.36%)d 1.12( 4.69%) f11.01( 45.99%)g10.48( 43.78%) 430. (0.00000) RY (50) C 6 s( 8.03%)p 0.05( 0.39%)d 4.20( 33.73%) f 3.30( 26.54%)g 3.90( 31.31%) 431. (0.00000) RY (51) C 6 s( 1.70%)p 0.88( 1.51%)d17.96( 30.60%) f 9.29( 15.82%)g29.56( 50.37%) 432. (0.00000) RY (52) C 6 s( 24.84%)p 0.10( 2.41%)d 1.14( 28.37%) f 0.76( 18.99%)g 1.02( 25.38%) 433. (0.00191) RY ( 1) C 7 s( 3.30%)p22.02( 72.67%)d 6.93( 22.87%) f 0.30( 0.99%)g 0.05( 0.16%) 0.0000 0.0096 0.1784 0.0242 0.0181 -0.0122 0.0005 0.0100 0.1095 0.0873 0.0102 0.0151 -0.4801 -0.0118 -0.0230 0.0110 -0.6849 0.0770 0.0196 -0.1824 0.1648 -0.0140 0.2319 -0.1709 0.0244 -0.0062 0.2542 0.0157 -0.0080 0.0983 0.0000 -0.0085 0.0966 0.0211 -0.0216 0.0110 0.0167 -0.0034 0.0264 0.0299 -0.0818 0.0190 -0.0044 -0.0069 -0.0151 0.0037 0.0085 0.0063 -0.0169 -0.0158 0.0152 -0.0216 -0.0018 -0.0155 -0.0109 0.0020 -0.0006 434. (0.00153) RY ( 2) C 7 s( 0.11%)p99.99( 87.11%)d80.05( 9.01%) f32.53( 3.66%)g 0.92( 0.10%) 0.0000 -0.0054 -0.0134 0.0298 0.0044 0.0030 0.0002 0.0145 0.0934 0.1996 0.0163 -0.0404 -0.6687 -0.0797 -0.0382 0.0113 0.5806 0.1647 0.0332 0.0054 -0.0195 0.0137 0.1424 0.1109 0.0313 0.1408 0.0140 0.0131 -0.0393 0.1743 0.0097 0.0017 -0.0569 0.0227 -0.1103 0.0090 0.0176 0.0200 -0.0396 0.0234 -0.0664 0.0268 -0.0865 0.0329 -0.0788 0.0189 -0.0278 0.0224 -0.0075 0.0124 -0.0139 -0.0248 -0.0002 -0.0028 0.0017 -0.0027 0.0000 435. (0.00125) RY ( 3) C 7 s( 0.55%)p99.99( 78.68%)d30.46( 16.81%) f 6.82( 3.76%)g 0.36( 0.20%) 0.0000 -0.0013 -0.0445 0.0591 0.0049 0.0045 0.0006 -0.0306 -0.8699 0.0995 0.0123 0.0051 0.0421 0.0854 -0.0491 -0.0189 -0.0548 0.0587 0.0285 0.0214 -0.0515 0.0084 0.2368 0.0714 0.0270 0.1624 0.0828 0.0230 -0.0362 0.2281 -0.0023 0.0146 -0.1250 0.0066 0.0101 -0.0150 0.0284 0.0296 -0.0487 0.0267 -0.0975 0.0350 0.1129 -0.0210 0.0023 -0.0116 0.0909 -0.0147 -0.0011 0.0146 -0.0148 -0.0367 0.0058 -0.0106 0.0026 -0.0035 0.0041 436. (0.00059) RY ( 4) C 7 s( 1.73%)p24.76( 42.88%)d30.34( 52.53%) f 1.56( 2.71%)g 0.09( 0.15%) 0.0000 0.0035 0.1258 0.0378 0.0075 0.0006 0.0006 0.0233 -0.2252 -0.3732 -0.0936 0.0104 -0.3191 0.3112 0.1060 -0.0019 0.0805 -0.1032 -0.0487 -0.1398 0.0876 -0.0325 0.0192 -0.1135 -0.0420 0.0834 -0.2737 0.0215 -0.2375 -0.5656 -0.0381 -0.0665 0.1260 -0.0394 0.0648 0.0003 0.0553 -0.0394 0.0092 -0.0470 -0.0210 -0.0495 0.0692 -0.0176 -0.0600 0.0392 0.0121 -0.0518 0.0135 0.0091 0.0089 0.0075 0.0160 0.0069 -0.0109 0.0007 -0.0264 437. (0.00035) RY ( 5) C 7 s( 59.21%)p 0.22( 13.05%)d 0.41( 24.45%) f 0.05( 3.05%)g 0.00( 0.24%) 0.0000 -0.0139 0.7378 -0.2176 -0.0110 -0.0102 -0.0005 0.0055 0.0768 -0.1292 0.0749 -0.0039 0.2500 -0.0221 0.0182 -0.0129 0.1418 0.1196 0.0659 -0.1514 0.0782 -0.0253 0.1670 -0.0723 0.0125 0.3169 -0.0913 -0.0126 -0.0933 0.1799 0.0184 0.1718 -0.0396 0.0139 -0.0630 0.0125 -0.1090 0.0230 0.0852 -0.0087 -0.0264 0.0202 0.0314 0.0017 0.0208 -0.0226 -0.0558 0.0223 -0.0039 -0.0120 -0.0025 0.0277 -0.0230 0.0103 0.0141 0.0008 0.0254 438. (0.00024) RY ( 6) C 7 s( 0.25%)p41.56( 10.32%)d70.57( 17.52%) f99.99( 69.70%)g 8.94( 2.22%) 0.0000 -0.0006 0.0398 -0.0294 -0.0051 -0.0032 -0.0011 0.0130 0.1412 -0.0770 -0.1304 -0.0080 -0.1096 0.0319 0.1695 0.0067 0.0916 -0.0261 -0.0958 0.0020 -0.1418 -0.0426 -0.0025 -0.1049 -0.0282 -0.0344 0.1735 0.0368 0.0651 0.1044 0.0174 0.0771 -0.2906 -0.0542 0.5788 -0.1722 0.0113 -0.0040 -0.0623 0.0241 -0.0489 0.0221 0.5269 -0.1552 0.1176 -0.0374 0.0854 -0.0254 0.1084 -0.0261 0.0344 -0.0034 0.0856 -0.0291 -0.0034 -0.0145 0.0126 439. (0.00014) RY ( 7) C 7 s( 13.04%)p 1.84( 23.94%)d 4.24( 55.26%) f 0.54( 7.09%)g 0.05( 0.67%) 0.0000 0.0077 0.2833 -0.2184 0.0238 0.0422 0.0027 0.0225 -0.2955 -0.0073 -0.0151 0.0270 -0.1110 -0.2027 -0.0536 0.0060 0.2201 -0.2017 -0.0716 -0.2351 0.1552 -0.0022 -0.1863 -0.1653 -0.0223 -0.5458 0.1838 -0.0089 0.2476 0.0264 -0.0063 -0.0662 0.1088 0.0256 0.0154 0.0162 -0.0186 -0.0341 -0.1362 0.0327 0.1753 -0.0211 -0.0935 0.0113 0.0932 -0.0205 0.0030 0.0109 -0.0310 -0.0456 0.0238 0.0393 -0.0086 -0.0280 -0.0254 -0.0063 -0.0038 440. (0.00011) RY ( 8) C 7 s( 0.08%)p99.99( 26.36%)d99.99( 66.83%) f83.92( 6.37%)g 4.84( 0.37%) 0.0000 0.0030 0.0181 -0.0032 0.0148 -0.0139 -0.0002 0.0251 -0.0741 -0.3806 0.0914 0.0194 -0.1791 0.0778 -0.0217 -0.0050 -0.1341 0.1991 0.0873 -0.1922 -0.0592 -0.0404 -0.4157 0.5135 -0.0198 0.0554 0.0594 -0.0339 0.3203 0.0103 0.0650 0.2058 -0.1777 0.0255 0.0280 -0.0112 -0.0936 0.0503 0.1324 -0.0006 -0.0828 0.0465 -0.1174 0.0500 0.0866 -0.0123 -0.0312 -0.0065 -0.0231 0.0322 -0.0268 -0.0090 -0.0192 0.0218 0.0164 0.0050 0.0128 441. (0.00007) RY ( 9) C 7 s( 14.10%)p 2.50( 35.22%)d 2.83( 39.91%) f 0.64( 9.03%)g 0.12( 1.75%) 442. (0.00005) RY (10) C 7 s( 1.64%)p23.36( 38.28%)d27.67( 45.35%) f 8.41( 13.79%)g 0.58( 0.94%) 443. (0.00003) RY (11) C 7 s( 0.49%)p 9.85( 4.80%)d99.99( 86.74%) f15.14( 7.38%)g 1.20( 0.58%) 444. (0.00003) RY (12) C 7 s( 8.30%)p 4.24( 35.20%)d 4.16( 34.51%) f 2.53( 20.98%)g 0.12( 1.01%) 445. (0.00001) RY (13) C 7 s( 5.44%)p 1.74( 9.45%)d 7.35( 39.95%) f 6.18( 33.61%)g 2.12( 11.55%) 446. (0.00001) RY (14) C 7 s( 5.77%)p 2.74( 15.82%)d 3.92( 22.63%) f 9.57( 55.20%)g 0.10( 0.59%) 447. (0.00001) RY (15) C 7 s( 8.88%)p 1.33( 11.82%)d 4.66( 41.38%) f 2.81( 24.98%)g 1.46( 12.94%) 448. (0.00001) RY (16) C 7 s( 1.28%)p17.60( 22.58%)d18.61( 23.87%) f39.32( 50.43%)g 1.44( 1.85%) 449. (0.00000) RY (17) C 7 s( 3.52%)p 2.14( 7.52%)d15.43( 54.33%) f 8.07( 28.43%)g 1.76( 6.20%) 450. (0.00000) RY (18) C 7 s( 16.40%)p 0.36( 5.84%)d 1.87( 30.64%) f 2.46( 40.32%)g 0.41( 6.80%) 451. (0.00000) RY (19) C 7 s( 6.31%)p 1.68( 10.60%)d 4.79( 30.26%) f 3.35( 21.14%)g 5.02( 31.69%) 452. (0.00000) RY (20) C 7 s( 7.71%)p 0.22( 1.73%)d 2.53( 19.53%) f 4.14( 31.88%)g 5.08( 39.15%) 453. (0.00000) RY (21) C 7 s( 8.60%)p 0.67( 5.72%)d 2.51( 21.55%) f 1.20( 10.32%)g 6.26( 53.81%) 454. (0.00000) RY (22) C 7 s( 12.76%)p 0.17( 2.20%)d 2.13( 27.19%) f 1.11( 14.18%)g 3.42( 43.66%) 455. (0.00000) RY (23) C 7 s( 14.13%)p 0.25( 3.59%)d 2.11( 29.78%) f 0.67( 9.48%)g 3.05( 43.02%) 456. (0.00000) RY (24) C 7 s( 33.75%)p 0.10( 3.50%)d 0.28( 9.40%) f 0.54( 18.13%)g 1.04( 35.22%) 457. (0.00000) RY (25) C 7 s( 10.09%)p 1.83( 18.43%)d 1.68( 16.99%) f 2.64( 26.65%)g 2.76( 27.84%) 458. (0.00000) RY (26) C 7 s( 13.31%)p 1.66( 22.09%)d 1.74( 23.16%) f 1.57( 20.91%)g 1.54( 20.53%) 459. (0.00000) RY (27) C 7 s( 2.13%)p 4.37( 9.30%)d14.52( 30.91%) f13.78( 29.34%)g13.30( 28.32%) 460. (0.00000) RY (28) C 7 s( 4.79%)p 5.99( 28.65%)d 6.38( 30.55%) f 5.71( 27.34%)g 1.81( 8.67%) 461. (0.00000) RY (29) C 7 s( 7.63%)p 2.29( 17.51%)d 2.77( 21.16%) f 4.28( 32.67%)g 2.75( 21.03%) 462. (0.00000) RY (30) C 7 s( 11.87%)p 2.80( 33.25%)d 3.87( 45.91%) f 0.36( 4.23%)g 0.40( 4.74%) 463. (0.00000) RY (31) C 7 s( 0.84%)p28.68( 23.96%)d44.12( 36.87%) f40.16( 33.56%)g 5.72( 4.78%) 464. (0.00000) RY (32) C 7 s( 2.25%)p17.50( 39.35%)d 8.09( 18.19%) f 7.37( 16.57%)g10.51( 23.64%) 465. (0.00000) RY (33) C 7 s( 10.38%)p 1.86( 19.33%)d 2.68( 27.85%) f 3.38( 35.11%)g 0.71( 7.33%) 466. (0.00000) RY (34) C 7 s( 5.87%)p 2.00( 11.72%)d 4.10( 24.04%) f 7.72( 45.30%)g 2.23( 13.07%) 467. (0.00000) RY (35) C 7 s( 2.44%)p 8.15( 19.88%)d16.18( 39.49%) f15.04( 36.70%)g 0.61( 1.49%) 468. (0.00000) RY (36) C 7 s( 1.94%)p11.48( 22.26%)d20.08( 38.96%) f17.81( 34.56%)g 1.18( 2.29%) 469. (0.00000) RY (37) C 7 s( 7.41%)p 3.73( 27.68%)d 4.43( 32.86%) f 3.71( 27.50%)g 0.61( 4.55%) 470. (0.00000) RY (38) C 7 s( 8.25%)p 1.99( 16.45%)d 6.41( 52.90%) f 2.46( 20.30%)g 0.26( 2.11%) 471. (0.00000) RY (39) C 7 s( 34.36%)p 0.22( 7.69%)d 0.73( 24.95%) f 0.90( 31.04%)g 0.06( 1.97%) 472. (0.00000) RY (40) C 7 s( 76.91%)p 0.00( 0.34%)d 0.04( 3.01%) f 0.12( 8.88%)g 0.14( 10.86%) 473. (0.00000) RY (41) C 7 s( 0.67%)p 4.20( 2.81%)d19.01( 12.74%) f99.20( 66.51%)g25.75( 17.26%) 474. (0.00000) RY (42) C 7 s( 6.01%)p 0.32( 1.90%)d 2.45( 14.72%) f 8.33( 50.07%)g 4.54( 27.29%) 475. (0.00000) RY (43) C 7 s( 0.42%)p 5.50( 2.32%)d51.62( 21.74%) f75.93( 31.98%)g99.99( 43.54%) 476. (0.00000) RY (44) C 7 s( 5.40%)p 0.07( 0.40%)d 5.35( 28.92%) f 7.47( 40.35%)g 4.61( 24.93%) 477. (0.00000) RY (45) C 7 s( 3.57%)p 0.10( 0.35%)d 0.99( 3.51%) f 9.17( 32.72%)g16.78( 59.85%) 478. (0.00000) RY (46) C 7 s( 2.82%)p 0.10( 0.29%)d 4.46( 12.57%) f13.17( 37.12%)g16.75( 47.20%) 479. (0.00000) RY (47) C 7 s( 6.51%)p 0.07( 0.47%)d 4.40( 28.66%) f 7.36( 47.93%)g 2.53( 16.44%) 480. (0.00000) RY (48) C 7 s( 4.46%)p 0.35( 1.55%)d 5.78( 25.79%) f13.43( 59.95%)g 1.85( 8.25%) 481. (0.00000) RY (49) C 7 s( 0.37%)p 1.40( 0.52%)d44.72( 16.57%) f96.73( 35.84%)g99.99( 46.71%) 482. (0.00000) RY (50) C 7 s( 1.78%)p 0.19( 0.34%)d13.20( 23.53%) f16.33( 29.09%)g25.40( 45.26%) 483. (0.00000) RY (51) C 7 s( 22.74%)p 0.12( 2.74%)d 0.34( 7.77%) f 0.64( 14.66%)g 2.29( 52.09%) 484. (0.00000) RY (52) C 7 s( 17.62%)p 0.02( 0.32%)d 0.72( 12.69%) f 2.06( 36.31%)g 1.88( 33.06%) 485. (0.00182) RY ( 1) C 8 s( 2.33%)p33.23( 77.46%)d 8.34( 19.44%) f 0.28( 0.64%)g 0.05( 0.13%) 0.0000 0.0135 0.1483 0.0280 0.0140 -0.0127 0.0005 0.0344 -0.4971 0.0328 -0.0011 0.0175 0.3968 0.0201 -0.0056 0.0090 -0.6053 0.0216 0.0061 -0.1384 0.0738 -0.0210 -0.0758 0.2227 0.0104 0.1845 -0.2707 0.0102 0.0240 0.0225 0.0086 0.0629 -0.0352 0.0116 -0.0109 -0.0033 0.0196 0.0134 -0.0049 -0.0109 0.0634 -0.0077 -0.0299 -0.0167 0.0113 -0.0066 -0.0109 -0.0077 -0.0251 -0.0061 -0.0031 0.0045 -0.0187 0.0106 -0.0026 0.0099 -0.0004 486. (0.00140) RY ( 2) C 8 s( 0.11%)p99.99( 94.13%)d 8.08( 0.90%) f43.71( 4.85%)g 0.12( 0.01%) 0.0000 -0.0006 0.0304 0.0136 0.0008 0.0002 -0.0001 0.0217 0.3836 0.0998 0.0192 -0.0271 -0.5579 -0.1276 -0.0178 -0.0354 -0.6550 -0.1548 -0.0196 -0.0049 -0.0315 -0.0135 0.0182 -0.0165 -0.0042 0.0307 -0.0438 -0.0023 0.0356 0.0040 0.0095 0.0093 -0.0497 -0.0186 0.0641 -0.0073 0.0846 -0.0251 -0.1015 0.0237 0.0381 -0.0105 0.1424 -0.0417 -0.0409 0.0204 -0.0023 0.0011 0.0015 0.0065 -0.0071 0.0017 -0.0017 0.0040 0.0043 -0.0008 -0.0005 487. (0.00091) RY ( 3) C 8 s( 9.11%)p 7.01( 63.80%)d 2.71( 24.65%) f 0.26( 2.36%)g 0.01( 0.08%) 0.0000 -0.0010 0.3010 0.0143 0.0156 0.0055 0.0010 0.0056 -0.4827 0.0986 0.0043 0.0165 -0.5726 0.0365 -0.0050 -0.0078 0.2485 0.0619 0.0103 -0.1373 0.0469 -0.0110 0.2041 -0.0212 0.0324 0.2953 -0.0566 0.0202 0.2897 -0.0596 0.0322 0.0503 -0.0162 0.0070 -0.0011 -0.0017 -0.0731 0.0208 0.0402 0.0050 0.1055 -0.0139 0.0317 0.0028 0.0131 0.0075 0.0574 -0.0184 0.0063 -0.0115 0.0002 0.0165 0.0017 0.0193 -0.0016 0.0017 0.0032 488. (0.00051) RY ( 4) C 8 s( 61.02%)p 0.41( 25.07%)d 0.19( 11.59%) f 0.03( 1.94%)g 0.01( 0.38%) 0.0000 -0.0138 0.7434 -0.2393 -0.0088 -0.0043 -0.0006 -0.0037 0.3950 -0.2212 0.0213 0.0013 0.1862 -0.0436 0.0285 -0.0066 0.0812 0.0322 0.0165 -0.1448 0.0697 -0.0116 0.1180 0.0188 -0.0148 0.0528 -0.1557 0.0118 0.0290 -0.1641 -0.0171 0.1338 -0.0429 0.0216 -0.0635 0.0039 0.0562 -0.0069 -0.0245 -0.0030 -0.0973 0.0106 -0.0157 -0.0027 0.0283 -0.0182 -0.0045 0.0225 -0.0162 0.0219 0.0041 -0.0340 -0.0227 -0.0306 0.0138 -0.0108 -0.0116 489. (0.00036) RY ( 5) C 8 s( 0.61%)p38.42( 23.49%)d99.99( 71.41%) f 6.99( 4.27%)g 0.35( 0.22%) 0.0000 -0.0023 0.0726 -0.0273 -0.0077 -0.0055 -0.0005 -0.0067 0.0019 0.1870 0.0995 0.0038 0.1068 -0.3043 -0.0801 0.0040 0.0770 -0.2470 -0.1123 -0.1427 0.0059 -0.0393 -0.0981 -0.4319 -0.0247 -0.1207 -0.3226 -0.0243 0.2624 0.4857 0.0345 -0.1013 0.2389 -0.0538 0.0187 0.0174 0.0720 -0.0736 0.0617 -0.0750 -0.0023 0.0032 -0.0642 0.0052 0.0536 0.0357 0.0941 -0.0697 -0.0021 0.0262 0.0039 -0.0141 0.0054 0.0068 -0.0145 0.0143 0.0277 490. (0.00022) RY ( 6) C 8 s( 0.11%)p99.99( 12.65%)d99.99( 13.29%) f99.99( 71.30%)g25.06( 2.66%) 0.0000 0.0006 -0.0018 0.0323 0.0037 -0.0021 0.0001 0.0059 0.1049 -0.0131 -0.1185 -0.0122 -0.1151 0.0371 0.1520 -0.0115 -0.1613 0.0102 0.1926 0.0164 0.1421 0.0466 -0.0103 0.0258 -0.0037 0.0122 0.0135 -0.0016 0.0308 -0.0010 0.0237 -0.0789 0.3099 0.0729 -0.4142 0.1240 -0.3371 0.1066 0.4339 -0.1228 -0.1106 0.0318 -0.4072 0.1248 -0.0542 0.0101 -0.0044 0.0083 -0.0118 -0.0991 0.1147 -0.0167 -0.0010 -0.0430 -0.0365 -0.0057 0.0012 491. (0.00014) RY ( 7) C 8 s( 1.75%)p10.98( 19.19%)d39.19( 68.49%) f 5.27( 9.22%)g 0.77( 1.35%) 0.0000 -0.0061 0.0525 0.0994 -0.0222 -0.0657 -0.0016 -0.0125 0.0313 0.2347 0.0492 -0.0015 0.2477 0.1048 -0.0401 -0.0083 -0.1959 0.1304 0.0625 0.0557 -0.0589 -0.0009 0.5304 -0.2492 -0.0152 -0.1602 0.4054 0.0435 0.3700 -0.0718 0.0193 -0.0165 -0.0065 -0.0014 -0.1223 0.0287 0.0942 -0.0195 -0.0964 0.0593 0.1837 -0.0231 -0.1037 0.0436 0.0854 0.0011 0.0101 -0.0042 0.0695 0.0031 -0.0126 0.0556 0.0390 -0.0303 -0.0523 -0.0119 -0.0088 492. (0.00007) RY ( 8) C 8 s( 3.13%)p 5.76( 18.00%)d21.41( 66.96%) f 3.76( 11.74%)g 0.06( 0.18%) 493. (0.00005) RY ( 9) C 8 s( 15.86%)p 1.48( 23.46%)d 2.76( 43.77%) f 1.01( 16.09%)g 0.05( 0.83%) 494. (0.00003) RY (10) C 8 s( 5.26%)p 7.38( 38.83%)d 6.45( 33.92%) f 4.03( 21.21%)g 0.15( 0.79%) 495. (0.00002) RY (11) C 8 s( 8.43%)p 6.35( 53.55%)d 2.25( 18.99%) f 2.16( 18.24%)g 0.09( 0.79%) 496. (0.00001) RY (12) C 8 s( 8.45%)p 2.38( 20.08%)d 7.58( 63.99%) f 0.70( 5.91%)g 0.19( 1.58%) 497. (0.00001) RY (13) C 8 s( 6.08%)p 2.67( 16.24%)d 7.53( 45.81%) f 2.66( 16.20%)g 2.58( 15.66%) 498. (0.00001) RY (14) C 8 s( 9.65%)p 1.96( 18.88%)d 5.05( 48.72%) f 2.14( 20.69%)g 0.21( 2.06%) 499. (0.00001) RY (15) C 8 s( 7.04%)p 1.69( 11.91%)d 3.62( 25.45%) f 7.38( 51.92%)g 0.52( 3.68%) 500. (0.00001) RY (16) C 8 s( 0.58%)p50.60( 29.37%)d61.43( 35.65%) f47.84( 27.77%)g11.43( 6.63%) 501. (0.00000) RY (17) C 8 s( 10.61%)p 0.39( 4.19%)d 3.83( 40.62%) f 0.93( 9.82%)g 3.28( 34.77%) 502. (0.00000) RY (18) C 8 s( 11.68%)p 0.89( 10.40%)d 0.88( 10.22%) f 3.39( 39.61%)g 2.41( 28.10%) 503. (0.00000) RY (19) C 8 s( 11.70%)p 1.84( 21.55%)d 1.56( 18.26%) f 1.82( 21.24%)g 2.33( 27.25%) 504. (0.00000) RY (20) C 8 s( 14.09%)p 0.20( 2.85%)d 0.90( 12.69%) f 0.90( 12.62%)g 4.10( 57.75%) 505. (0.00000) RY (21) C 8 s( 15.16%)p 0.63( 9.48%)d 0.94( 14.27%) f 1.40( 21.29%)g 2.62( 39.80%) 506. (0.00000) RY (22) C 8 s( 20.08%)p 0.68( 13.57%)d 1.58( 31.76%) f 0.76( 15.22%)g 0.96( 19.37%) 507. (0.00000) RY (23) C 8 s( 8.67%)p 0.30( 2.58%)d 1.49( 12.96%) f 1.82( 15.81%)g 6.92( 59.98%) 508. (0.00000) RY (24) C 8 s( 20.86%)p 0.41( 8.45%)d 0.88( 18.45%) f 1.25( 26.09%)g 1.25( 26.14%) 509. (0.00000) RY (25) C 8 s( 2.49%)p 2.10( 5.23%)d12.57( 31.34%) f18.00( 44.89%)g 6.44( 16.06%) 510. (0.00000) RY (26) C 8 s( 5.14%)p 2.26( 11.61%)d 7.23( 37.19%) f 5.72( 29.41%)g 3.24( 16.65%) 511. (0.00000) RY (27) C 8 s( 5.91%)p 3.96( 23.37%)d 1.74( 10.28%) f 8.09( 47.80%)g 2.14( 12.64%) 512. (0.00000) RY (28) C 8 s( 17.30%)p 2.06( 35.69%)d 1.84( 31.88%) f 0.51( 8.79%)g 0.37( 6.34%) 513. (0.00000) RY (29) C 8 s( 7.50%)p 2.23( 16.73%)d 1.97( 14.75%) f 7.71( 57.82%)g 0.43( 3.20%) 514. (0.00000) RY (30) C 8 s( 1.59%)p24.54( 39.05%)d 9.32( 14.83%) f24.08( 38.31%)g 3.90( 6.21%) 515. (0.00000) RY (31) C 8 s( 2.33%)p10.78( 25.10%)d20.03( 46.64%) f 8.08( 18.81%)g 3.06( 7.12%) 516. (0.00000) RY (32) C 8 s( 3.60%)p 4.62( 16.65%)d10.98( 39.56%) f 6.63( 23.90%)g 4.52( 16.30%) 517. (0.00000) RY (33) C 8 s( 3.93%)p 3.42( 13.45%)d 7.54( 29.66%) f10.72( 42.18%)g 2.74( 10.77%) 518. (0.00000) RY (34) C 8 s( 9.95%)p 1.06( 10.58%)d 5.06( 50.33%) f 2.77( 27.57%)g 0.16( 1.57%) 519. (0.00000) RY (35) C 8 s( 9.58%)p 1.72( 16.44%)d 4.65( 44.48%) f 2.79( 26.75%)g 0.29( 2.75%) 520. (0.00000) RY (36) C 8 s( 5.92%)p 2.54( 15.04%)d 6.79( 40.23%) f 6.06( 35.90%)g 0.49( 2.91%) 521. (0.00000) RY (37) C 8 s( 35.64%)p 0.60( 21.53%)d 0.87( 30.85%) f 0.28( 10.12%)g 0.05( 1.87%) 522. (0.00000) RY (38) C 8 s( 7.46%)p 1.49( 11.09%)d 5.59( 41.74%) f 4.57( 34.12%)g 0.75( 5.58%) 523. (0.00000) RY (39) C 8 s( 14.09%)p 0.06( 0.78%)d 0.99( 14.01%) f 1.96( 27.68%)g 3.08( 43.44%) 524. (0.00000) RY (40) C 8 s( 50.97%)p 0.04( 1.84%)d 0.08( 4.26%) f 0.52( 26.75%)g 0.32( 16.17%) 525. (0.00000) RY (41) C 8 s( 1.72%)p 0.51( 0.87%)d 3.16( 5.43%) f29.78( 51.20%)g23.72( 40.78%) 526. (0.00000) RY (42) C 8 s( 20.44%)p 0.11( 2.22%)d 0.54( 11.03%) f 1.59( 32.45%)g 1.66( 33.86%) 527. (0.00000) RY (43) C 8 s( 1.90%)p 0.90( 1.72%)d 1.88( 3.58%) f23.90( 45.54%)g24.81( 47.26%) 528. (0.00000) RY (44) C 8 s( 5.99%)p 0.19( 1.12%)d 2.63( 15.76%) f 5.26( 31.51%)g 7.61( 45.62%) 529. (0.00000) RY (45) C 8 s( 0.24%)p 0.90( 0.22%)d11.53( 2.81%) f99.99( 49.62%)g99.99( 47.11%) 530. (0.00000) RY (46) C 8 s( 8.48%)p 0.11( 0.89%)d 2.48( 21.00%) f 2.77( 23.46%)g 5.44( 46.18%) 531. (0.00000) RY (47) C 8 s( 4.93%)p 0.08( 0.42%)d 5.50( 27.11%) f 8.87( 43.74%)g 4.82( 23.80%) 532. (0.00000) RY (48) C 8 s( 1.31%)p 1.78( 2.33%)d28.66( 37.53%) f24.83( 32.51%)g20.09( 26.31%) 533. (0.00000) RY (49) C 8 s( 5.89%)p 0.35( 2.06%)d 5.57( 32.78%) f 6.64( 39.07%)g 3.43( 20.21%) 534. (0.00000) RY (50) C 8 s( 4.42%)p 0.15( 0.66%)d11.00( 48.56%) f 8.08( 35.68%)g 2.42( 10.68%) 535. (0.00000) RY (51) C 8 s( 1.18%)p 0.32( 0.38%)d12.87( 15.17%) f49.71( 58.56%)g20.98( 24.71%) 536. (0.00000) RY (52) C 8 s( 7.90%)p 0.55( 4.38%)d 5.62( 44.43%) f 1.22( 9.62%)g 4.26( 33.66%) 537. (0.00180) RY ( 1) C 9 s( 2.05%)p38.08( 77.99%)d 9.36( 19.17%) f 0.32( 0.66%)g 0.06( 0.13%) 0.0000 0.0131 0.1383 0.0290 0.0133 -0.0128 0.0004 0.0340 -0.5309 0.0323 0.0003 0.0130 0.6065 0.0115 -0.0064 -0.0127 0.3559 -0.0291 -0.0042 -0.0904 -0.0309 -0.0230 0.1053 -0.2131 -0.0038 -0.0924 0.1734 0.0006 0.0612 -0.0471 0.0094 0.1741 -0.2244 0.0149 0.0244 0.0092 -0.0122 0.0026 -0.0157 0.0042 -0.0424 0.0109 0.0353 0.0155 0.0005 -0.0161 -0.0427 -0.0044 -0.0083 0.0233 -0.0207 0.0040 -0.0052 0.0011 0.0110 0.0062 -0.0032 538. (0.00136) RY ( 2) C 9 s( 0.29%)p99.99( 93.28%)d 5.04( 1.47%) f16.90( 4.94%)g 0.05( 0.01%) 0.0000 0.0002 0.0517 0.0156 0.0025 -0.0005 0.0001 0.0200 0.2666 0.0964 0.0170 -0.0091 -0.3069 -0.0609 -0.0111 0.0439 0.8441 0.1965 0.0267 -0.0249 -0.0200 -0.0127 -0.0251 0.0354 0.0102 -0.0214 0.0109 -0.0089 0.0624 -0.0081 0.0118 0.0365 -0.0723 -0.0156 0.0812 -0.0260 0.1417 -0.0413 -0.1223 0.0249 0.0122 0.0007 -0.0620 0.0239 0.0123 0.0038 0.0027 -0.0009 -0.0070 0.0001 0.0032 -0.0002 -0.0081 -0.0006 -0.0020 0.0015 -0.0015 539. (0.00094) RY ( 3) C 9 s( 11.26%)p 5.40( 60.74%)d 2.26( 25.44%) f 0.22( 2.48%)g 0.01( 0.07%) 0.0000 -0.0015 0.3351 0.0064 0.0160 0.0043 0.0010 0.0043 -0.4857 0.0830 0.0058 0.0196 -0.5875 0.0181 -0.0151 -0.0016 -0.1156 -0.0710 -0.0071 -0.1859 0.0503 -0.0208 -0.1211 -0.0031 -0.0232 -0.0898 0.0319 0.0001 0.3964 -0.0807 0.0394 0.1599 -0.0417 0.0117 -0.0187 0.0001 -0.0752 0.0234 -0.0301 0.0094 -0.1121 0.0147 -0.0459 0.0072 0.0430 0.0039 0.0159 -0.0141 0.0013 0.0134 0.0100 0.0000 -0.0039 -0.0172 0.0093 -0.0003 -0.0080 540. (0.00053) RY ( 4) C 9 s( 59.84%)p 0.46( 27.28%)d 0.17( 10.42%) f 0.03( 2.07%)g 0.01( 0.39%) 0.0000 -0.0135 0.7335 -0.2453 -0.0095 -0.0045 -0.0006 -0.0038 0.4236 -0.2189 0.0270 0.0031 0.1714 -0.0587 0.0138 0.0044 -0.1061 -0.0125 -0.0135 -0.1748 0.0473 -0.0068 -0.0567 -0.0368 0.0166 0.0440 0.0463 -0.0025 0.0283 -0.1889 -0.0166 0.1081 -0.1151 0.0264 0.0428 0.0020 0.0410 -0.0103 0.0822 -0.0130 0.0738 -0.0159 0.0521 -0.0067 -0.0011 -0.0160 0.0344 0.0159 0.0052 -0.0102 -0.0299 0.0088 -0.0080 0.0438 -0.0259 -0.0035 0.0128 541. (0.00037) RY ( 5) C 9 s( 0.41%)p60.18( 24.84%)d99.99( 70.55%) f 9.65( 3.98%)g 0.52( 0.22%) 0.0000 -0.0014 0.0558 -0.0311 -0.0049 -0.0046 -0.0003 -0.0045 -0.0062 0.1640 0.0781 0.0022 0.0661 -0.1718 -0.0339 -0.0068 -0.1124 0.3849 0.1396 -0.0899 0.1289 -0.0288 0.2083 0.3985 0.0512 0.1127 0.5661 -0.0054 0.1672 0.2819 0.0262 -0.1749 -0.0066 -0.0558 -0.0540 0.0304 0.0217 -0.0597 0.0084 -0.0411 -0.0500 0.0769 0.1111 -0.0247 0.0096 0.0389 0.0697 -0.0485 0.0048 -0.0224 -0.0169 -0.0115 -0.0207 -0.0109 0.0158 0.0089 0.0184 542. (0.00023) RY ( 6) C 9 s( 0.07%)p99.99( 13.03%)d99.99( 13.11%) f99.99( 71.11%)g36.62( 2.68%) 0.0000 0.0012 0.0096 0.0252 0.0022 0.0009 0.0002 0.0071 0.0862 -0.0280 -0.1067 -0.0058 -0.0588 0.0216 0.0666 0.0153 0.2015 -0.0099 -0.2476 0.0192 0.1109 0.0407 0.0323 -0.1212 -0.0227 -0.0516 0.2009 0.0547 -0.0119 -0.0201 0.0067 -0.0470 0.2207 0.0549 -0.2073 0.0611 -0.4924 0.1540 0.5574 -0.1640 -0.1688 0.0474 0.0050 -0.0023 -0.1631 0.0411 -0.0365 0.0164 0.1129 0.0375 -0.0276 0.0211 0.1003 -0.0070 0.0239 -0.0240 0.0136 543. (0.00014) RY ( 7) C 9 s( 1.29%)p15.50( 20.06%)d52.04( 67.35%) f 7.71( 9.98%)g 1.01( 1.31%) 0.0000 -0.0068 0.0563 0.0689 -0.0230 -0.0667 -0.0013 -0.0122 0.0240 0.2785 0.0478 0.0039 0.2945 0.0320 -0.0577 0.0078 0.1016 -0.1277 -0.0468 -0.1960 0.0870 0.0067 -0.4416 0.2260 0.0157 0.2176 -0.2978 -0.0155 0.3113 0.0702 0.0312 -0.2334 0.2946 0.0283 0.1799 -0.0594 -0.0659 0.0280 0.0154 -0.0027 -0.1389 0.0077 0.1657 -0.0455 0.0260 0.0293 -0.0904 0.0048 -0.0035 -0.0398 0.0764 -0.0239 0.0335 -0.0024 0.0439 -0.0448 -0.0055 544. (0.00007) RY ( 8) C 9 s( 2.92%)p 6.32( 18.45%)d23.32( 68.06%) f 3.58( 10.46%)g 0.03( 0.10%) 545. (0.00005) RY ( 9) C 9 s( 15.45%)p 1.49( 23.05%)d 2.99( 46.17%) f 0.93( 14.42%)g 0.06( 0.91%) 546. (0.00004) RY (10) C 9 s( 5.46%)p 8.09( 44.17%)d 4.86( 26.52%) f 4.23( 23.12%)g 0.14( 0.74%) 547. (0.00002) RY (11) C 9 s( 3.20%)p11.55( 37.00%)d10.59( 33.95%) f 7.75( 24.82%)g 0.32( 1.03%) 548. (0.00001) RY (12) C 9 s( 8.31%)p 3.78( 31.38%)d 6.45( 53.61%) f 0.68( 5.65%)g 0.13( 1.06%) 549. (0.00001) RY (13) C 9 s( 5.02%)p 1.97( 9.87%)d11.35( 56.99%) f 3.36( 16.89%)g 2.24( 11.23%) 550. (0.00001) RY (14) C 9 s( 3.59%)p 7.49( 26.91%)d 8.49( 30.52%) f 8.17( 29.37%)g 2.67( 9.60%) 551. (0.00001) RY (15) C 9 s( 12.26%)p 1.98( 24.29%)d 3.88( 47.58%) f 1.08( 13.26%)g 0.21( 2.61%) 552. (0.00001) RY (16) C 9 s( 2.32%)p 7.63( 17.72%)d14.47( 33.59%) f18.48( 42.91%)g 1.49( 3.46%) 553. (0.00000) RY (17) C 9 s( 11.83%)p 0.10( 1.17%)d 3.27( 38.75%) f 1.05( 12.37%)g 3.03( 35.88%) 554. (0.00000) RY (18) C 9 s( 4.16%)p 0.54( 2.25%)d 4.23( 17.59%) f 4.81( 20.02%)g13.46( 55.98%) 555. (0.00000) RY (19) C 9 s( 8.23%)p 2.17( 17.84%)d 2.83( 23.29%) f 2.92( 24.07%)g 3.23( 26.57%) 556. (0.00000) RY (20) C 9 s( 24.25%)p 0.12( 2.88%)d 0.98( 23.69%) f 0.97( 23.59%)g 1.06( 25.60%) 557. (0.00000) RY (21) C 9 s( 5.24%)p 0.97( 5.10%)d 2.37( 12.41%) f 6.67( 34.96%)g 8.07( 42.29%) 558. (0.00000) RY (22) C 9 s( 18.08%)p 0.69( 12.52%)d 1.65( 29.89%) f 0.44( 7.90%)g 1.75( 31.62%) 559. (0.00000) RY (23) C 9 s( 14.48%)p 0.64( 9.34%)d 1.38( 20.01%) f 2.63( 38.10%)g 1.25( 18.07%) 560. (0.00000) RY (24) C 9 s( 11.81%)p 0.54( 6.34%)d 2.60( 30.76%) f 1.70( 20.04%)g 2.63( 31.05%) 561. (0.00000) RY (25) C 9 s( 16.54%)p 1.10( 18.20%)d 1.82( 30.04%) f 1.00( 16.55%)g 1.13( 18.67%) 562. (0.00000) RY (26) C 9 s( 2.54%)p 5.48( 13.94%)d11.12( 28.31%) f14.91( 37.93%)g 6.79( 17.28%) 563. (0.00000) RY (27) C 9 s( 5.93%)p 3.69( 21.89%)d 2.67( 15.86%) f 7.63( 45.23%)g 1.87( 11.09%) 564. (0.00000) RY (28) C 9 s( 0.88%)p50.07( 44.26%)d22.04( 19.48%) f22.46( 19.86%)g17.56( 15.52%) 565. (0.00000) RY (29) C 9 s( 2.54%)p14.27( 36.22%)d 8.35( 21.21%) f12.51( 31.75%)g 3.26( 8.28%) 566. (0.00000) RY (30) C 9 s( 6.53%)p 2.52( 16.42%)d 7.06( 46.06%) f 2.39( 15.58%)g 2.36( 15.40%) 567. (0.00000) RY (31) C 9 s( 3.16%)p 4.33( 13.67%)d 8.37( 26.43%) f14.92( 47.16%)g 3.03( 9.58%) 568. (0.00000) RY (32) C 9 s( 5.99%)p 4.39( 26.32%)d 3.00( 17.96%) f 7.84( 46.97%)g 0.46( 2.76%) 569. (0.00000) RY (33) C 9 s( 5.79%)p 2.33( 13.47%)d 8.20( 47.49%) f 5.17( 29.95%)g 0.57( 3.30%) 570. (0.00000) RY (34) C 9 s( 11.73%)p 0.24( 2.83%)d 3.04( 35.59%) f 4.00( 46.93%)g 0.25( 2.93%) 571. (0.00000) RY (35) C 9 s( 4.98%)p 2.17( 10.81%)d11.41( 56.86%) f 4.98( 24.81%)g 0.51( 2.55%) 572. (0.00000) RY (36) C 9 s( 17.26%)p 1.13( 19.54%)d 2.14( 36.99%) f 1.39( 24.01%)g 0.13( 2.20%) 573. (0.00000) RY (37) C 9 s( 21.14%)p 0.52( 10.93%)d 1.39( 29.37%) f 1.64( 34.65%)g 0.18( 3.91%) 574. (0.00000) RY (38) C 9 s( 19.91%)p 0.71( 14.04%)d 1.62( 32.20%) f 1.38( 27.56%)g 0.32( 6.29%) 575. (0.00000) RY (39) C 9 s( 69.00%)p 0.00( 0.06%)d 0.12( 8.37%) f 0.23( 15.76%)g 0.10( 6.81%) 576. (0.00000) RY (40) C 9 s( 1.85%)p 0.42( 0.78%)d 2.95( 5.47%) f16.15( 29.94%)g33.41( 61.95%) 577. (0.00000) RY (41) C 9 s( 3.65%)p 0.13( 0.49%)d 2.28( 8.31%) f12.38( 45.16%)g11.62( 42.39%) 578. (0.00000) RY (42) C 9 s( 2.73%)p 0.49( 1.34%)d 2.07( 5.65%) f24.50( 66.80%)g 8.61( 23.49%) 579. (0.00000) RY (43) C 9 s( 13.84%)p 0.06( 0.87%)d 0.42( 5.81%) f 2.85( 39.47%)g 2.89( 40.02%) 580. (0.00000) RY (44) C 9 s( 1.89%)p 0.98( 1.84%)d 5.24( 9.91%) f17.10( 32.34%)g28.56( 54.01%) 581. (0.00000) RY (45) C 9 s( 3.67%)p 0.55( 2.03%)d 4.30( 15.78%) f13.23( 48.52%)g 8.17( 29.99%) 582. (0.00000) RY (46) C 9 s( 4.02%)p 0.48( 1.91%)d 3.96( 15.94%) f 6.63( 26.66%)g12.80( 51.47%) 583. (0.00000) RY (47) C 9 s( 6.61%)p 0.12( 0.81%)d 6.05( 39.99%) f 6.35( 41.93%)g 1.61( 10.66%) 584. (0.00000) RY (48) C 9 s( 4.89%)p 0.27( 1.32%)d 6.90( 33.75%) f 9.54( 46.69%)g 2.73( 13.35%) 585. (0.00000) RY (49) C 9 s( 13.70%)p 0.20( 2.79%)d 2.38( 32.55%) f 0.68( 9.32%)g 3.04( 41.64%) 586. (0.00000) RY (50) C 9 s( 3.91%)p 0.82( 3.20%)d12.23( 47.85%) f 7.27( 28.43%)g 4.24( 16.60%) 587. (0.00000) RY (51) C 9 s( 4.69%)p 1.70( 7.97%)d 3.10( 14.53%) f 5.35( 25.05%)g10.19( 47.76%) 588. (0.00000) RY (52) C 9 s( 8.97%)p 0.58( 5.20%)d 1.21( 10.81%) f 4.19( 37.59%)g 4.17( 37.43%) 589. (0.00189) RY ( 1) C 10 s( 2.89%)p24.95( 72.12%)d 8.21( 23.75%) f 0.37( 1.07%)g 0.06( 0.17%) 0.0000 0.0093 0.1659 0.0285 0.0191 -0.0106 0.0005 0.0092 0.0166 0.1036 0.0117 0.0105 -0.1717 -0.0422 -0.0307 -0.0136 0.8207 -0.0627 -0.0076 -0.2609 0.2239 -0.0213 -0.1592 0.0831 -0.0226 -0.0255 -0.0752 -0.0017 0.0166 0.1649 0.0055 -0.0292 0.2254 0.0242 -0.0235 -0.0255 0.0243 -0.0052 0.0677 -0.0043 0.0333 -0.0287 0.0008 0.0045 -0.0208 0.0026 0.0430 -0.0073 0.0171 0.0034 -0.0266 -0.0048 0.0229 0.0079 -0.0023 -0.0015 0.0065 590. (0.00153) RY ( 2) C 10 s( 0.08%)p99.99( 85.91%)d99.99( 10.24%) f45.22( 3.67%)g 1.30( 0.11%) 0.0000 -0.0061 0.0009 0.0273 0.0043 0.0034 0.0003 0.0140 0.1038 0.2096 0.0180 -0.0402 -0.8322 -0.1325 -0.0455 0.0067 -0.2785 -0.1105 -0.0145 -0.0480 -0.0495 -0.0007 -0.1610 -0.0665 -0.0374 -0.1345 0.0126 0.0054 0.0166 0.1842 0.0121 0.0874 -0.0720 0.0201 0.0743 -0.0097 -0.0286 0.0292 0.1083 -0.0117 0.0416 -0.0388 0.0215 -0.0030 -0.1132 0.0307 -0.0010 0.0066 -0.0071 -0.0098 -0.0176 -0.0129 -0.0063 0.0082 -0.0173 0.0020 0.0045 591. (0.00125) RY ( 3) C 10 s( 0.69%)p99.99( 79.81%)d22.38( 15.53%) f 5.44( 3.78%)g 0.27( 0.19%) 0.0000 -0.0019 -0.0583 0.0591 0.0048 0.0046 0.0006 -0.0323 -0.8758 0.0824 0.0094 0.0130 0.0730 0.0747 -0.0488 0.0141 -0.0531 -0.0815 -0.0058 -0.0499 -0.0697 -0.0008 -0.2356 -0.0151 -0.0270 -0.1295 -0.0607 -0.0157 0.0407 0.2274 0.0059 0.0923 -0.0933 0.0138 0.0228 0.0016 0.0939 0.0084 -0.0022 0.0118 0.0448 -0.0342 -0.0552 0.0207 0.0353 -0.0174 0.1369 -0.0362 -0.0038 -0.0201 -0.0157 -0.0187 -0.0046 0.0100 -0.0250 0.0035 0.0103 592. (0.00064) RY ( 4) C 10 s( 4.02%)p10.21( 41.04%)d13.07( 52.50%) f 0.57( 2.31%)g 0.03( 0.14%) 0.0000 0.0024 0.2001 0.0044 0.0102 -0.0016 0.0009 0.0249 -0.1993 -0.3907 -0.0864 0.0120 -0.3047 0.3210 0.1111 -0.0002 0.0101 -0.0378 -0.0048 -0.1601 0.1286 -0.0163 0.0219 0.0309 0.0503 -0.2070 0.1042 -0.0487 -0.1980 -0.6165 -0.0264 0.0416 0.0289 -0.0075 -0.0310 0.0099 0.0861 -0.0389 -0.0385 0.0066 0.0067 0.0873 -0.0440 0.0068 -0.0334 0.0245 0.0023 -0.0130 0.0070 -0.0133 0.0127 0.0034 0.0029 -0.0012 0.0119 -0.0053 -0.0284 593. (0.00037) RY ( 5) C 10 s( 54.40%)p 0.29( 15.57%)d 0.49( 26.83%) f 0.05( 2.95%)g 0.00( 0.25%) 0.0000 -0.0145 0.7040 -0.2190 -0.0093 -0.0115 -0.0004 0.0016 0.1199 -0.0971 0.0843 0.0006 0.2307 -0.0932 -0.0125 0.0136 -0.2248 -0.0927 -0.0582 -0.1880 0.1025 -0.0308 -0.1685 0.0882 -0.0084 -0.1612 0.0996 0.0232 0.0410 0.2004 0.0168 0.3150 -0.0869 0.0015 -0.0500 0.0077 -0.0640 0.0180 0.0736 -0.0191 0.0039 -0.0311 -0.0949 0.0065 0.0679 -0.0289 -0.0332 0.0108 -0.0049 0.0336 0.0144 0.0154 -0.0090 -0.0138 0.0093 0.0013 0.0227 594. (0.00024) RY ( 6) C 10 s( 0.05%)p99.99( 10.40%)d99.99( 16.13%) f99.99( 71.09%)g46.69( 2.33%) 0.0000 0.0002 -0.0133 0.0166 0.0062 0.0023 0.0013 -0.0124 -0.1431 0.0644 0.1389 0.0105 0.1393 -0.0248 -0.1962 0.0026 0.0267 -0.0129 -0.0199 -0.0029 0.0611 0.0221 0.0139 -0.1939 -0.0497 -0.0875 0.2601 0.0590 -0.0224 -0.1565 -0.0321 -0.0202 0.1067 0.0163 0.2390 -0.0712 -0.3757 0.1122 0.4910 -0.1444 -0.1773 0.0565 0.2439 -0.0707 -0.3014 0.0910 -0.1776 0.0561 -0.0601 0.0699 -0.0950 0.0261 -0.0555 0.0378 0.0197 0.0104 -0.0086 595. (0.00014) RY ( 7) C 10 s( 12.37%)p 1.97( 24.39%)d 4.50( 55.72%) f 0.56( 6.87%)g 0.05( 0.65%) 0.0000 0.0076 0.2770 -0.2119 0.0158 0.0417 0.0024 0.0243 -0.2922 -0.0587 0.0006 0.0260 -0.1958 -0.1546 -0.0415 -0.0141 -0.1682 0.2345 0.0793 -0.1948 0.1739 -0.0002 0.3287 0.0231 0.0263 0.4591 -0.0684 0.0294 0.0904 0.0770 -0.0030 -0.3343 0.1931 0.0168 0.1075 -0.0382 -0.1242 -0.0027 -0.1456 0.0089 -0.0409 -0.0074 0.0973 -0.0353 0.0625 -0.0117 -0.0489 0.0105 0.0067 0.0370 -0.0091 0.0236 0.0481 0.0040 0.0370 -0.0271 0.0075 596. (0.00011) RY ( 8) C 10 s( 0.22%)p99.99( 23.61%)d99.99( 68.17%) f34.61( 7.56%)g 2.03( 0.44%) 0.0000 0.0024 0.0388 -0.0015 0.0122 -0.0229 -0.0006 0.0254 -0.0646 -0.3163 0.0706 0.0200 -0.1217 0.0052 -0.0396 0.0005 0.2234 -0.2328 -0.0728 0.0170 -0.2531 -0.0412 0.4322 -0.4122 0.0323 0.1570 -0.1512 0.0490 0.2176 0.0750 0.0396 0.3230 -0.2210 -0.0174 -0.2108 0.0422 -0.1175 0.0606 0.0753 -0.0070 0.0354 -0.0397 0.0289 -0.0086 0.0367 0.0023 -0.0226 -0.0241 -0.0193 -0.0045 -0.0161 -0.0052 -0.0517 -0.0030 -0.0201 0.0258 0.0027 597. (0.00007) RY ( 9) C 10 s( 17.16%)p 2.13( 36.63%)d 2.17( 37.20%) f 0.44( 7.50%)g 0.09( 1.51%) 598. (0.00005) RY (10) C 10 s( 2.91%)p10.58( 30.77%)d16.29( 47.38%) f 6.24( 18.16%)g 0.27( 0.77%) 599. (0.00003) RY (11) C 10 s( 0.75%)p10.84( 8.13%)d99.99( 84.99%) f 7.84( 5.88%)g 0.32( 0.24%) 600. (0.00002) RY (12) C 10 s( 6.07%)p 6.32( 38.36%)d 4.43( 26.90%) f 4.54( 27.61%)g 0.17( 1.06%) 601. (0.00001) RY (13) C 10 s( 6.61%)p 1.38( 9.13%)d 6.27( 41.43%) f 4.66( 30.79%)g 1.82( 12.04%) 602. (0.00001) RY (14) C 10 s( 6.58%)p 1.51( 9.91%)d 4.01( 26.38%) f 7.72( 50.78%)g 0.96( 6.35%) 603. (0.00001) RY (15) C 10 s( 7.86%)p 2.50( 19.69%)d 4.87( 38.28%) f 3.35( 26.34%)g 1.00( 7.84%) 604. (0.00000) RY (16) C 10 s( 9.02%)p 0.48( 4.30%)d 1.99( 17.92%) f 6.19( 55.80%)g 1.44( 12.96%) 605. (0.00000) RY (17) C 10 s( 5.16%)p 0.73( 3.77%)d 5.55( 28.63%) f 2.48( 12.81%)g 9.62( 49.63%) 606. (0.00000) RY (18) C 10 s( 28.24%)p 0.25( 6.94%)d 1.16( 32.83%) f 0.72( 20.40%)g 0.41( 11.59%) 607. (0.00000) RY (19) C 10 s( 19.29%)p 0.47( 9.01%)d 0.66( 12.76%) f 1.06( 20.38%)g 2.00( 38.55%) 608. (0.00000) RY (20) C 10 s( 10.66%)p 0.13( 1.44%)d 0.76( 8.14%) f 1.45( 15.46%)g 6.03( 64.30%) 609. (0.00000) RY (21) C 10 s( 16.50%)p 0.78( 12.82%)d 1.55( 25.57%) f 1.01( 16.67%)g 1.72( 28.45%) 610. (0.00000) RY (22) C 10 s( 13.03%)p 0.58( 7.51%)d 1.82( 23.74%) f 1.83( 23.90%)g 2.44( 31.82%) 611. (0.00000) RY (23) C 10 s( 18.60%)p 0.82( 15.28%)d 1.99( 36.96%) f 0.42( 7.86%)g 1.15( 21.30%) 612. (0.00000) RY (24) C 10 s( 4.20%)p 2.44( 10.26%)d 4.76( 19.97%) f 6.59( 27.67%)g 9.04( 37.91%) 613. (0.00000) RY (25) C 10 s( 1.32%)p21.24( 28.03%)d26.42( 34.87%) f19.01( 25.10%)g 8.09( 10.68%) 614. (0.00000) RY (26) C 10 s( 19.31%)p 0.81( 15.65%)d 2.43( 46.98%) f 0.58( 11.13%)g 0.36( 6.94%) 615. (0.00000) RY (27) C 10 s( 7.08%)p 2.25( 15.90%)d 3.75( 26.53%) f 5.05( 35.74%)g 2.09( 14.76%) 616. (0.00000) RY (28) C 10 s( 2.83%)p14.88( 42.13%)d 8.90( 25.21%) f 6.45( 18.25%)g 4.09( 11.58%) 617. (0.00000) RY (29) C 10 s( 2.26%)p18.05( 40.80%)d 7.73( 17.46%) f 7.31( 16.52%)g10.16( 22.96%) 618. (0.00000) RY (30) C 10 s( 9.43%)p 2.00( 18.85%)d 2.46( 23.23%) f 4.50( 42.48%)g 0.64( 6.01%) 619. (0.00000) RY (31) C 10 s( 9.42%)p 1.55( 14.60%)d 2.92( 27.50%) f 4.14( 38.96%)g 1.01( 9.53%) 620. (0.00000) RY (32) C 10 s( 2.98%)p 3.32( 9.89%)d16.27( 48.49%) f11.91( 35.50%)g 1.05( 3.14%) 621. (0.00000) RY (33) C 10 s( 3.30%)p 8.31( 27.38%)d 8.45( 27.85%) f11.41( 37.61%)g 1.17( 3.86%) 622. (0.00000) RY (34) C 10 s( 3.58%)p 8.47( 30.30%)d 9.41( 33.67%) f 8.39( 30.02%)g 0.68( 2.44%) 623. (0.00000) RY (35) C 10 s( 7.71%)p 2.65( 20.42%)d 5.99( 46.18%) f 3.12( 24.07%)g 0.21( 1.62%) 624. (0.00000) RY (36) C 10 s( 34.63%)p 0.25( 8.55%)d 0.90( 31.01%) f 0.68( 23.55%)g 0.07( 2.26%) 625. (0.00000) RY (37) C 10 s( 5.65%)p 0.75( 4.23%)d 8.65( 48.89%) f 6.12( 34.62%)g 1.17( 6.61%) 626. (0.00000) RY (38) C 10 s( 10.60%)p 1.07( 11.39%)d 3.51( 37.20%) f 3.44( 36.42%)g 0.41( 4.40%) 627. (0.00001) RY (39) C 10 s( 2.87%)p 5.86( 16.83%)d 9.25( 26.55%) f18.45( 52.96%)g 0.27( 0.79%) 628. (0.00000) RY (40) C 10 s( 80.18%)p 0.00( 0.23%)d 0.03( 2.25%) f 0.12( 9.56%)g 0.10( 7.78%) 629. (0.00000) RY (41) C 10 s( 0.63%)p 0.45( 0.28%)d 7.01( 4.42%) f15.06( 9.49%)g99.99( 85.19%) 630. (0.00000) RY (42) C 10 s( 0.34%)p 3.36( 1.15%)d34.48( 11.78%) f99.99( 68.84%)g52.40( 17.90%) 631. (0.00000) RY (43) C 10 s( 4.87%)p 0.12( 0.60%)d 5.56( 27.10%) f10.98( 53.50%)g 2.86( 13.94%) 632. (0.00000) RY (44) C 10 s( 4.74%)p 0.40( 1.88%)d 2.56( 12.14%) f13.56( 64.31%)g 3.57( 16.93%) 633. (0.00000) RY (45) C 10 s( 5.43%)p 0.24( 1.33%)d 1.88( 10.24%) f 8.04( 43.70%)g 7.23( 39.30%) 634. (0.00000) RY (46) C 10 s( 0.64%)p 2.32( 1.49%)d17.59( 11.33%) f43.02( 27.71%)g91.35( 58.83%) 635. (0.00000) RY (47) C 10 s( 6.81%)p 0.13( 0.90%)d 4.34( 29.55%) f 3.17( 21.59%)g 6.04( 41.15%) 636. (0.00000) RY (48) C 10 s( 1.40%)p 0.90( 1.27%)d21.04( 29.49%) f31.83( 44.62%)g16.56( 23.21%) 637. (0.00000) RY (49) C 10 s( 8.05%)p 0.17( 1.36%)d 3.30( 26.58%) f 4.29( 34.54%)g 3.66( 29.48%) 638. (0.00000) RY (50) C 10 s( 14.87%)p 0.05( 0.74%)d 1.92( 28.53%) f 1.33( 19.85%)g 2.42( 36.01%) 639. (0.00000) RY (51) C 10 s( 0.88%)p 1.37( 1.21%)d 4.82( 4.24%) f37.16( 32.65%)g69.46( 61.03%) 640. (0.00000) RY (52) C 10 s( 0.98%)p 6.77( 6.62%)d22.60( 22.11%) f40.11( 39.24%)g31.75( 31.05%) 641. (0.00035) RY ( 1) H 11 s( 69.11%)p 0.37( 25.82%)d 0.07( 4.94%) f 0.00( 0.13%) -0.0078 0.7747 -0.3014 -0.0063 0.2865 0.0946 0.0162 -0.3706 0.0716 0.0256 -0.1391 -0.0479 -0.0463 0.0138 -0.0120 -0.0068 -0.0112 -0.1547 0.0380 0.0013 -0.0054 0.1532 -0.0003 0.0274 -0.0036 0.0227 -0.0058 -0.0023 -0.0026 0.0035 642. (0.00027) RY ( 2) H 11 s( 80.11%)p 0.19( 15.43%)d 0.05( 4.26%) f 0.00( 0.19%) 0.0056 0.4538 0.7715 0.0043 -0.0584 -0.0637 0.0208 0.0846 -0.0792 -0.0333 0.1614 0.3217 -0.0485 -0.0247 0.0038 -0.0117 0.0039 0.1597 -0.0144 0.1262 0.0069 0.0124 0.0000 0.0155 -0.0254 -0.0045 -0.0266 -0.0091 0.0116 -0.0094 643. (0.00018) RY ( 3) H 11 s( 1.88%)p35.44( 66.74%)d15.27( 28.75%) f 1.39( 2.62%) -0.0026 0.1268 -0.0497 -0.0166 -0.7390 -0.1631 0.1260 -0.1748 0.0616 0.0446 -0.1987 -0.0518 0.0180 -0.0688 -0.0017 -0.4737 0.0572 -0.1684 0.0280 0.1240 -0.0181 -0.0985 0.0240 -0.0624 -0.1302 -0.0166 0.0583 -0.0373 0.0003 0.0178 644. (0.00009) RY ( 4) H 11 s( 21.62%)p 1.85( 40.06%)d 1.76( 38.08%) f 0.01( 0.23%) 645. (0.00005) RY ( 5) H 11 s( 4.02%)p20.10( 80.79%)d 3.30( 13.28%) f 0.48( 1.92%) 646. (0.00002) RY ( 6) H 11 s( 0.49%)p99.99( 53.44%)d89.12( 43.79%) f 4.64( 2.28%) 647. (0.00001) RY ( 7) H 11 s( 15.45%)p 3.25( 50.22%)d 1.90( 29.29%) f 0.33( 5.04%) 648. (0.00000) RY ( 8) H 11 s( 3.41%)p16.25( 55.48%)d 6.98( 23.83%) f 5.06( 17.27%) 649. (0.00000) RY ( 9) H 11 s( 9.38%)p 4.70( 44.15%)d 4.49( 42.11%) f 0.46( 4.35%) 650. (0.00000) RY (10) H 11 s( 0.12%)p99.99( 40.60%)d99.99( 31.98%) f99.99( 27.31%) 651. (0.00000) RY (11) H 11 s( 0.05%)p99.99( 6.51%)d99.99( 32.23%) f99.99( 61.21%) 652. (0.00000) RY (12) H 11 s( 0.40%)p73.32( 29.35%)d63.10( 25.26%) f99.99( 44.99%) 653. (0.00000) RY (13) H 11 s( 0.31%)p99.99( 59.17%)d99.99( 31.37%) f29.63( 9.15%) 654. (0.00000) RY (14) H 11 s( 0.14%)p99.99( 28.00%)d67.14( 9.42%) f99.99( 62.43%) 655. (0.00000) RY (15) H 11 s( 3.43%)p 2.03( 6.95%)d 6.39( 21.91%) f19.74( 67.71%) 656. (0.00000) RY (16) H 11 s( 0.31%)p99.99( 34.37%)d99.99( 39.98%) f81.69( 25.34%) 657. (0.00000) RY (17) H 11 s( 37.59%)p 0.28( 10.63%)d 0.70( 26.23%) f 0.68( 25.55%) 658. (0.00000) RY (18) H 11 s( 4.40%)p11.24( 49.41%)d 5.07( 22.27%) f 5.44( 23.92%) 659. (0.00000) RY (19) H 11 s( 7.87%)p 4.97( 39.11%)d 0.93( 7.33%) f 5.81( 45.70%) 660. (0.00000) RY (20) H 11 s( 5.10%)p 8.15( 41.53%)d 6.50( 33.14%) f 3.97( 20.23%) 661. (0.00000) RY (21) H 11 s( 12.38%)p 1.98( 24.49%)d 3.88( 48.07%) f 1.22( 15.06%) 662. (0.00000) RY (22) H 11 s( 2.25%)p 7.45( 16.76%)d33.74( 75.93%) f 2.25( 5.06%) 663. (0.00000) RY (23) H 11 s( 19.83%)p 1.17( 23.25%)d 2.45( 48.56%) f 0.42( 8.36%) 664. (0.00000) RY (24) H 11 s( 0.03%)p99.99( 4.08%)d99.99( 90.29%) f99.99( 5.61%) 665. (0.00000) RY (25) H 11 s( 0.19%)p99.99( 21.92%)d99.99( 46.40%) f99.99( 31.49%) 666. (0.00000) RY (26) H 11 s( 0.02%)p99.99( 7.25%)d99.99( 82.18%) f99.99( 10.55%) 667. (0.00000) RY (27) H 11 s( 0.08%)p18.99( 1.56%)d97.07( 7.97%) f99.99( 90.39%) 668. (0.00000) RY (28) H 11 s( 0.07%)p99.99( 14.12%)d99.99( 30.56%) f99.99( 55.26%) 669. (0.00000) RY (29) H 11 s( 0.09%)p94.49( 8.69%)d99.99( 60.57%) f99.99( 30.65%) 670. (0.00032) RY ( 1) H 12 s( 62.29%)p 0.45( 28.17%)d 0.15( 9.40%) f 0.00( 0.14%) -0.0106 0.7458 0.2577 -0.0113 -0.2352 -0.2602 0.0252 -0.2400 0.1989 0.0710 -0.1475 -0.1842 0.0109 -0.2246 0.0400 0.1198 0.0039 -0.1525 0.0239 0.0051 -0.0035 -0.0608 -0.0062 0.0193 0.0011 0.0151 -0.0094 0.0084 0.0198 0.0162 671. (0.00021) RY ( 2) H 12 s( 83.42%)p 0.13( 10.58%)d 0.07( 5.61%) f 0.00( 0.38%) -0.0054 -0.4248 0.8084 -0.0130 -0.1164 0.1062 -0.0681 -0.2423 0.0833 0.0393 0.0056 0.0789 -0.0540 -0.1021 0.0362 0.1367 0.0062 -0.0633 0.0175 0.1390 0.0047 0.0437 -0.0096 -0.0353 0.0111 0.0043 0.0384 0.0180 0.0107 0.0225 672. (0.00017) RY ( 3) H 12 s( 0.32%)p99.99( 64.80%)d98.89( 32.00%) f 8.89( 2.88%) -0.0005 0.0442 -0.0358 0.0007 -0.3899 -0.0901 0.0886 0.0596 0.0075 -0.0162 0.6690 0.1031 -0.1339 -0.0085 -0.0036 0.2757 -0.0346 0.1116 -0.0053 -0.2665 0.0299 0.3943 -0.0538 0.0164 0.1495 0.0285 0.0172 0.0320 -0.0618 -0.0134 673. (0.00008) RY ( 4) H 12 s( 26.11%)p 1.46( 38.19%)d 1.36( 35.63%) f 0.00( 0.07%) 674. (0.00006) RY ( 5) H 12 s( 1.35%)p66.49( 89.72%)d 5.50( 7.42%) f 1.12( 1.51%) 675. (0.00001) RY ( 6) H 12 s( 7.28%)p 8.91( 64.84%)d 3.14( 22.87%) f 0.69( 5.01%) 676. (0.00001) RY ( 7) H 12 s( 4.56%)p11.85( 54.00%)d 8.58( 39.11%) f 0.51( 2.34%) 677. (0.00000) RY ( 8) H 12 s( 14.02%)p 2.53( 35.54%)d 3.19( 44.70%) f 0.41( 5.74%) 678. (0.00000) RY ( 9) H 12 s( 2.32%)p19.76( 45.90%)d 9.09( 21.12%) f13.19( 30.65%) 679. (0.00000) RY (10) H 12 s( 6.93%)p 7.94( 55.02%)d 3.81( 26.41%) f 1.68( 11.63%) 680. (0.00000) RY (11) H 12 s( 0.66%)p39.73( 26.35%)d25.43( 16.87%) f84.63( 56.12%) 681. (0.00000) RY (12) H 12 s( 0.71%)p 9.67( 6.90%)d24.93( 17.80%) f99.99( 74.58%) 682. (0.00000) RY (13) H 12 s( 0.08%)p99.99( 24.71%)d99.99( 35.76%) f99.99( 39.46%) 683. (0.00000) RY (14) H 12 s( 0.35%)p99.99( 46.10%)d94.37( 32.91%) f59.16( 20.63%) 684. (0.00000) RY (15) H 12 s( 1.95%)p18.58( 36.20%)d14.62( 28.49%) f17.12( 33.35%) 685. (0.00000) RY (16) H 12 s( 0.34%)p48.03( 16.23%)d55.41( 18.73%) f99.99( 64.70%) 686. (0.00000) RY (17) H 12 s( 2.05%)p26.87( 55.14%)d 5.60( 11.50%) f15.26( 31.31%) 687. (0.00000) RY (18) H 12 s( 16.22%)p 1.22( 19.85%)d 1.45( 23.47%) f 2.50( 40.46%) 688. (0.00000) RY (19) H 12 s( 15.57%)p 2.24( 34.82%)d 1.52( 23.64%) f 1.67( 25.97%) 689. (0.00000) RY (20) H 12 s( 8.92%)p 3.21( 28.64%)d 5.83( 52.04%) f 1.17( 10.40%) 690. (0.00000) RY (21) H 12 s( 4.55%)p 8.39( 38.20%)d 9.68( 44.07%) f 2.89( 13.18%) 691. (0.00000) RY (22) H 12 s( 30.46%)p 0.44( 13.47%)d 1.65( 50.25%) f 0.19( 5.82%) 692. (0.00000) RY (23) H 12 s( 9.17%)p 1.62( 14.87%)d 7.82( 71.68%) f 0.47( 4.28%) 693. (0.00000) RY (24) H 12 s( 0.02%)p99.99( 1.81%)d99.99( 67.48%) f99.99( 30.69%) 694. (0.00000) RY (25) H 12 s( 0.00%)p 1.00( 5.93%)d 4.46( 26.43%) f11.41( 67.64%) 695. (0.00000) RY (26) H 12 s( 0.02%)p99.99( 16.90%)d99.99( 65.95%) f99.99( 17.13%) 696. (0.00000) RY (27) H 12 s( 0.03%)p99.99( 13.48%)d99.99( 30.84%) f99.99( 55.65%) 697. (0.00000) RY (28) H 12 s( 0.18%)p37.16( 6.65%)d99.99( 70.40%) f99.99( 22.76%) 698. (0.00000) RY (29) H 12 s( 0.23%)p29.65( 6.86%)d99.99( 67.39%) f99.99( 25.52%) 699. (0.00032) RY ( 1) H 13 s( 62.09%)p 0.47( 29.04%)d 0.14( 8.73%) f 0.00( 0.14%) -0.0113 0.7430 0.2618 -0.0099 -0.2367 -0.2414 0.0234 -0.1620 0.2470 0.0577 0.2360 0.1667 -0.0388 -0.2165 0.0278 -0.0668 -0.0146 0.1372 -0.0272 -0.0714 0.0038 -0.1009 0.0090 -0.0270 -0.0056 -0.0016 -0.0031 -0.0034 0.0207 0.0146 700. (0.00021) RY ( 2) H 13 s( 79.42%)p 0.16( 12.45%)d 0.10( 7.72%) f 0.01( 0.41%) -0.0064 -0.4526 0.7675 -0.0148 -0.1511 0.0631 -0.0537 -0.2456 0.0883 0.0651 0.0740 -0.1212 0.0476 -0.1453 0.0319 -0.1202 -0.0179 0.1760 -0.0257 0.0810 0.0111 0.0434 0.0061 0.0102 0.0502 0.0079 -0.0373 -0.0014 0.0039 0.0043 701. (0.00017) RY ( 3) H 13 s( 0.71%)p89.96( 64.31%)d44.81( 32.03%) f 4.12( 2.94%) 0.0002 -0.0443 0.0718 -0.0053 0.5040 0.0984 -0.1124 0.1229 0.0653 -0.0121 0.5739 0.0708 -0.1138 0.0332 0.0025 0.0410 -0.0111 -0.0314 0.0123 0.2951 -0.0322 -0.4740 0.0591 0.0957 -0.1152 0.0131 -0.0467 -0.0255 0.0622 0.0118 702. (0.00008) RY ( 4) H 13 s( 27.74%)p 1.33( 36.89%)d 1.27( 35.29%) f 0.00( 0.08%) 703. (0.00005) RY ( 5) H 13 s( 1.60%)p55.62( 89.01%)d 4.87( 7.79%) f 1.00( 1.60%) 704. (0.00001) RY ( 6) H 13 s( 10.80%)p 5.87( 63.43%)d 1.74( 18.81%) f 0.64( 6.96%) 705. (0.00001) RY ( 7) H 13 s( 3.03%)p18.82( 57.04%)d12.94( 39.21%) f 0.24( 0.72%) 706. (0.00000) RY ( 8) H 13 s( 24.82%)p 1.09( 27.16%)d 1.58( 39.12%) f 0.36( 8.91%) 707. (0.00000) RY ( 9) H 13 s( 7.67%)p 6.27( 48.10%)d 2.60( 19.93%) f 3.17( 24.31%) 708. (0.00000) RY (10) H 13 s( 6.70%)p 7.20( 48.29%)d 4.95( 33.17%) f 1.77( 11.84%) 709. (0.00000) RY (11) H 13 s( 0.08%)p99.99( 26.96%)d99.99( 20.01%) f99.99( 52.95%) 710. (0.00000) RY (12) H 13 s( 0.32%)p50.72( 16.39%)d85.07( 27.48%) f99.99( 55.81%) 711. (0.00000) RY (13) H 13 s( 0.08%)p99.99( 42.64%)d99.99( 28.87%) f99.99( 28.41%) 712. (0.00000) RY (14) H 13 s( 0.23%)p99.99( 42.17%)d99.99( 27.40%) f99.99( 30.20%) 713. (0.00000) RY (15) H 13 s( 0.16%)p99.99( 23.73%)d88.11( 14.33%) f99.99( 61.79%) 714. (0.00000) RY (16) H 13 s( 3.47%)p16.40( 56.89%)d 2.95( 10.23%) f 8.48( 29.41%) 715. (0.00000) RY (17) H 13 s( 10.69%)p 1.83( 19.61%)d 2.25( 24.07%) f 4.27( 45.62%) 716. (0.00000) RY (18) H 13 s( 17.56%)p 1.88( 32.97%)d 1.70( 29.86%) f 1.12( 19.61%) 717. (0.00000) RY (19) H 13 s( 15.10%)p 1.08( 16.32%)d 4.06( 61.31%) f 0.48( 7.27%) 718. (0.00000) RY (20) H 13 s( 5.83%)p 7.00( 40.83%)d 6.64( 38.73%) f 2.50( 14.60%) 719. (0.00000) RY (21) H 13 s( 14.14%)p 1.88( 26.56%)d 3.13( 44.22%) f 1.07( 15.09%) 720. (0.00000) RY (22) H 13 s( 6.99%)p 2.00( 14.01%)d10.59( 73.99%) f 0.72( 5.01%) 721. (0.00000) RY (23) H 13 s( 0.02%)p43.27( 0.81%)d99.99( 84.24%) f99.99( 14.93%) 722. (0.00000) RY (24) H 13 s( 0.14%)p19.93( 2.78%)d99.99( 80.52%) f99.99( 16.56%) 723. (0.00000) RY (25) H 13 s( 0.02%)p99.99( 13.11%)d99.99( 57.60%) f99.99( 29.27%) 724. (0.00000) RY (26) H 13 s( 0.12%)p14.06( 1.68%)d99.99( 16.67%) f99.99( 81.53%) 725. (0.00000) RY (27) H 13 s( 0.04%)p99.99( 27.04%)d99.99( 36.91%) f99.99( 36.00%) 726. (0.00000) RY (28) H 13 s( 0.37%)p26.51( 9.76%)d74.27( 27.33%) f99.99( 62.54%) 727. (0.00000) RY (29) H 13 s( 0.18%)p55.13( 9.93%)d99.99( 54.42%) f99.99( 35.47%) 728. (0.00048) RY ( 1) H 14 s( 74.62%)p 0.31( 22.90%)d 0.03( 2.42%) f 0.00( 0.06%) -0.0071 0.8566 -0.1113 -0.0038 0.3063 0.1199 0.0280 -0.2873 0.0515 0.0237 0.1818 0.0094 0.0338 0.0474 -0.0120 0.0305 0.0118 0.1352 -0.0243 -0.0255 0.0074 0.0321 0.0101 -0.0202 -0.0131 -0.0007 -0.0041 -0.0007 -0.0013 0.0033 729. (0.00026) RY ( 2) H 14 s( 79.20%)p 0.20( 16.09%)d 0.06( 4.51%) f 0.00( 0.21%) 0.0055 0.2578 0.8518 0.0044 -0.1574 -0.1243 0.0343 0.0476 -0.1850 -0.0185 -0.1278 -0.2525 0.0503 -0.0381 0.0036 0.0349 -0.0096 -0.0924 0.0142 0.1749 -0.0018 0.0542 -0.0034 0.0099 -0.0396 -0.0003 0.0130 -0.0039 0.0145 0.0001 730. (0.00019) RY ( 3) H 14 s( 2.10%)p33.36( 70.10%)d12.10( 25.42%) f 1.13( 2.38%) -0.0020 0.1129 -0.0903 -0.0104 -0.6904 -0.1539 0.1029 -0.1195 0.0564 0.0232 0.4011 0.0930 -0.0509 0.0879 -0.0186 0.3453 -0.0338 0.0739 -0.0093 0.1351 -0.0219 -0.3148 0.0488 0.1115 -0.0551 0.0153 -0.0845 -0.0213 -0.0193 -0.0088 731. (0.00010) RY ( 4) H 14 s( 17.31%)p 2.69( 46.51%)d 2.08( 36.00%) f 0.01( 0.18%) 0.0007 -0.2830 0.2978 -0.0656 0.0303 -0.0008 -0.0813 -0.5916 0.2924 0.1207 -0.0299 0.0404 -0.0706 0.2009 -0.0355 -0.0640 0.0072 0.5420 -0.0789 -0.1067 0.0274 0.0460 0.0020 -0.0261 0.0242 -0.0056 0.0138 -0.0070 -0.0037 0.0165 732. (0.00004) RY ( 5) H 14 s( 4.56%)p16.94( 77.22%)d 3.45( 15.71%) f 0.55( 2.50%) 733. (0.00002) RY ( 6) H 14 s( 1.31%)p40.97( 53.55%)d32.84( 42.92%) f 1.70( 2.22%) 734. (0.00001) RY ( 7) H 14 s( 14.95%)p 3.65( 54.52%)d 1.76( 26.32%) f 0.28( 4.21%) 735. (0.00001) RY ( 8) H 14 s( 6.35%)p 9.88( 62.71%)d 4.25( 26.99%) f 0.62( 3.95%) 736. (0.00000) RY ( 9) H 14 s( 1.20%)p32.38( 38.98%)d33.58( 40.43%) f16.10( 19.38%) 737. (0.00000) RY (10) H 14 s( 7.40%)p 6.74( 49.93%)d 4.35( 32.17%) f 1.42( 10.50%) 738. (0.00000) RY (11) H 14 s( 0.03%)p99.99( 16.90%)d99.99( 66.20%) f99.99( 16.86%) 739. (0.00000) RY (12) H 14 s( 0.69%)p64.78( 44.60%)d43.39( 29.87%) f36.09( 24.84%) 740. (0.00000) RY (13) H 14 s( 0.37%)p61.91( 22.63%)d12.43( 4.54%) f99.99( 72.46%) 741. (0.00000) RY (14) H 14 s( 1.53%)p30.83( 47.28%)d26.06( 39.96%) f 7.32( 11.23%) 742. (0.00000) RY (15) H 14 s( 2.15%)p17.41( 37.40%)d16.71( 35.89%) f11.43( 24.56%) 743. (0.00000) RY (16) H 14 s( 4.62%)p 2.43( 11.21%)d 6.17( 28.52%) f12.04( 55.64%) 744. (0.00000) RY (17) H 14 s( 32.75%)p 0.30( 9.90%)d 0.87( 28.53%) f 0.88( 28.82%) 745. (0.00000) RY (18) H 14 s( 3.54%)p 9.33( 32.99%)d 2.64( 9.34%) f15.30( 54.13%) 746. (0.00000) RY (19) H 14 s( 5.93%)p 7.81( 46.32%)d 2.86( 16.97%) f 5.19( 30.79%) 747. (0.00000) RY (20) H 14 s( 11.54%)p 2.65( 30.63%)d 4.23( 48.76%) f 0.79( 9.07%) 748. (0.00000) RY (21) H 14 s( 13.04%)p 2.37( 30.84%)d 3.41( 44.42%) f 0.90( 11.70%) 749. (0.00000) RY (22) H 14 s( 7.07%)p 1.58( 11.19%)d10.80( 76.35%) f 0.76( 5.40%) 750. (0.00000) RY (23) H 14 s( 6.72%)p 2.80( 18.80%)d 7.03( 47.29%) f 4.04( 27.19%) 751. (0.00000) RY (24) H 14 s( 0.07%)p83.06( 5.86%)d99.99( 77.79%) f99.99( 16.28%) 752. (0.00000) RY (25) H 14 s( 0.06%)p99.99( 16.55%)d99.99( 59.66%) f99.99( 23.73%) 753. (0.00000) RY (26) H 14 s( 0.35%)p 9.91( 3.52%)d99.99( 52.56%) f99.99( 43.57%) 754. (0.00000) RY (27) H 14 s( 0.02%)p99.99( 3.44%)d99.99( 54.36%) f99.99( 42.18%) 755. (0.00000) RY (28) H 14 s( 0.01%)p 1.00( 10.21%)d 1.50( 15.31%) f 7.29( 74.47%) 756. (0.00000) RY (29) H 14 s( 0.63%)p11.25( 7.10%)d17.05( 10.77%) f99.99( 81.49%) 757. (0.00088) RY ( 1) H 15 s( 92.11%)p 0.08( 7.13%)d 0.01( 0.75%) f 0.00( 0.01%) 0.0026 0.9595 0.0208 0.0009 -0.2200 -0.0891 -0.0481 0.1008 -0.0008 -0.0155 -0.0463 -0.0111 0.0030 -0.0789 0.0158 0.0167 -0.0035 0.0165 -0.0015 -0.0203 0.0006 -0.0056 -0.0011 0.0018 0.0037 -0.0006 0.0019 0.0007 -0.0066 -0.0027 758. (0.00028) RY ( 2) H 15 s( 80.50%)p 0.18( 14.73%)d 0.06( 4.56%) f 0.00( 0.21%) 0.0053 -0.1016 0.8915 0.0043 -0.1585 -0.2500 0.0616 0.1761 -0.1329 -0.0155 0.0446 0.0701 -0.0057 -0.1407 0.0193 0.0061 0.0008 0.0533 -0.0027 0.1280 -0.0036 0.0784 0.0026 -0.0158 0.0391 -0.0032 0.0116 0.0115 0.0065 -0.0002 759. (0.00023) RY ( 3) H 15 s( 1.14%)p68.21( 78.07%)d16.50( 18.89%) f 1.66( 1.90%) 0.0003 -0.0261 0.1037 0.0023 -0.0696 -0.0615 0.0070 -0.3051 0.0076 0.0220 -0.7986 -0.1934 0.0575 0.1449 -0.0252 0.3907 -0.0506 -0.0050 -0.0011 0.0689 0.0025 -0.0846 0.0090 0.0805 0.0449 0.0075 -0.0981 0.0042 -0.0244 -0.0146 760. (0.00019) RY ( 4) H 15 s( 7.10%)p10.00( 70.99%)d 3.03( 21.54%) f 0.05( 0.37%) -0.0012 0.1268 0.2313 -0.0376 0.0260 -0.0677 -0.0396 -0.7603 0.1868 0.0578 0.2926 0.0231 -0.0249 0.4023 -0.0745 -0.2042 0.0251 -0.0222 0.0112 0.0413 0.0205 -0.0535 -0.0029 -0.0225 0.0065 0.0004 0.0344 -0.0020 -0.0370 0.0245 761. (0.00003) RY ( 5) H 15 s( 1.61%)p33.60( 54.15%)d24.99( 40.28%) f 2.45( 3.95%) 762. (0.00002) RY ( 6) H 15 s( 2.27%)p27.17( 61.56%)d13.07( 29.63%) f 2.89( 6.55%) 763. (0.00002) RY ( 7) H 15 s( 10.54%)p 3.18( 33.55%)d 5.15( 54.26%) f 0.16( 1.65%) 764. (0.00001) RY ( 8) H 15 s( 6.97%)p 9.46( 65.92%)d 3.27( 22.80%) f 0.62( 4.31%) 765. (0.00001) RY ( 9) H 15 s( 5.79%)p 7.31( 42.30%)d 6.33( 36.62%) f 2.64( 15.30%) 766. (0.00000) RY (10) H 15 s( 2.54%)p22.64( 57.59%)d 9.08( 23.09%) f 6.59( 16.77%) 767. (0.00000) RY (11) H 15 s( 1.18%)p29.39( 34.55%)d52.38( 61.59%) f 2.29( 2.69%) 768. (0.00000) RY (12) H 15 s( 0.08%)p99.99( 42.13%)d99.99( 36.27%) f99.99( 21.51%) 769. (0.00000) RY (13) H 15 s( 0.01%)p99.99( 26.59%)d99.99( 21.61%) f99.99( 51.79%) 770. (0.00000) RY (14) H 15 s( 0.11%)p99.99( 26.45%)d99.99( 25.27%) f99.99( 48.18%) 771. (0.00000) RY (15) H 15 s( 0.05%)p99.99( 6.13%)d99.99( 76.37%) f99.99( 17.45%) 772. (0.00000) RY (16) H 15 s( 2.89%)p11.87( 34.26%)d 5.02( 14.49%) f16.75( 48.36%) 773. (0.00000) RY (17) H 15 s( 7.62%)p 1.66( 12.62%)d 2.88( 21.93%) f 7.59( 57.84%) 774. (0.00000) RY (18) H 15 s( 7.18%)p 4.84( 34.74%)d 3.81( 27.33%) f 4.28( 30.75%) 775. (0.00000) RY (19) H 15 s( 0.16%)p99.99( 29.28%)d99.99( 57.56%) f79.86( 13.00%) 776. (0.00000) RY (20) H 15 s( 26.47%)p 1.15( 30.41%)d 1.21( 31.92%) f 0.42( 11.19%) 777. (0.00000) RY (21) H 15 s( 2.37%)p17.01( 40.31%)d18.30( 43.37%) f 5.88( 13.94%) 778. (0.00000) RY (22) H 15 s( 40.68%)p 0.48( 19.34%)d 0.47( 19.22%) f 0.51( 20.75%) 779. (0.00000) RY (23) H 15 s( 0.00%)p 1.00( 0.46%)d36.67( 16.94%) f99.99( 82.60%) 780. (0.00000) RY (24) H 15 s( 0.06%)p99.99( 5.97%)d99.99( 63.58%) f99.99( 30.39%) 781. (0.00000) RY (25) H 15 s( 0.03%)p99.99( 12.82%)d99.99( 36.84%) f99.99( 50.31%) 782. (0.00000) RY (26) H 15 s( 0.05%)p99.99( 20.73%)d99.99( 65.76%) f99.99( 13.45%) 783. (0.00000) RY (27) H 15 s( 0.01%)p99.99( 3.24%)d99.99( 74.52%) f99.99( 22.24%) 784. (0.00000) RY (28) H 15 s( 0.57%)p19.39( 11.12%)d57.58( 33.01%) f96.48( 55.30%) 785. (0.00000) RY (29) H 15 s( 0.02%)p99.99( 22.76%)d99.99( 19.99%) f99.99( 57.23%) 786. (0.00037) RY ( 1) H 16 s( 48.85%)p 0.86( 41.90%)d 0.19( 9.20%) f 0.00( 0.06%) -0.0118 -0.2904 0.6356 -0.0108 0.5904 0.0823 -0.0237 0.0983 -0.2218 -0.0267 0.0250 0.0526 0.0047 -0.0186 -0.0039 -0.0032 0.0037 -0.0853 0.0063 -0.2689 0.0466 -0.0986 -0.0073 -0.0052 -0.0097 0.0041 -0.0053 -0.0046 -0.0010 0.0196 787. (0.00027) RY ( 2) H 16 s( 83.00%)p 0.18( 14.73%)d 0.03( 2.09%) f 0.00( 0.18%) 0.0013 0.8565 0.3106 -0.0017 0.1497 -0.0787 0.0551 0.2311 0.2401 -0.0447 -0.0241 -0.0437 0.0111 -0.1373 0.0024 0.0215 0.0004 0.0051 0.0032 -0.0153 0.0104 0.0340 0.0036 0.0149 0.0285 -0.0246 0.0052 0.0091 -0.0007 0.0065 788. (0.00019) RY ( 3) H 16 s( 0.02%)p99.99( 73.59%)d99.99( 23.95%) f97.87( 2.43%) -0.0001 0.0074 0.0138 -0.0018 0.0477 0.0040 -0.0051 -0.1511 -0.0313 0.0186 -0.8233 -0.1449 0.1035 0.0751 -0.0103 0.3344 -0.0422 -0.3154 0.0413 0.0385 -0.0050 0.1310 -0.0176 0.0875 -0.0443 0.0484 -0.0171 0.1063 -0.0262 -0.0073 789. (0.00007) RY ( 4) H 16 s( 32.51%)p 1.11( 36.05%)d 0.96( 31.14%) f 0.01( 0.30%) 790. (0.00006) RY ( 5) H 16 s( 4.54%)p16.31( 74.04%)d 4.31( 19.56%) f 0.41( 1.85%) 791. (0.00002) RY ( 6) H 16 s( 0.04%)p99.99( 44.77%)d99.99( 53.04%) f59.73( 2.15%) 792. (0.00001) RY ( 7) H 16 s( 13.99%)p 4.53( 63.32%)d 1.24( 17.40%) f 0.38( 5.29%) 793. (0.00000) RY ( 8) H 16 s( 0.15%)p99.99( 36.20%)d99.99( 26.89%) f99.99( 36.76%) 794. (0.00000) RY ( 9) H 16 s( 7.24%)p 6.52( 47.23%)d 6.03( 43.66%) f 0.26( 1.87%) 795. (0.00000) RY (10) H 16 s( 0.86%)p12.00( 10.35%)d23.90( 20.60%) f79.10( 68.19%) 796. (0.00000) RY (11) H 16 s( 3.10%)p16.52( 51.29%)d 5.43( 16.86%) f 9.26( 28.75%) 797. (0.00000) RY (12) H 16 s( 0.00%)p 1.00( 14.03%)d 0.24( 3.43%) f 5.88( 82.54%) 798. (0.00000) RY (13) H 16 s( 10.23%)p 0.84( 8.61%)d 4.19( 42.89%) f 3.74( 38.27%) 799. (0.00000) RY (14) H 16 s( 0.06%)p99.99( 25.54%)d99.99( 51.09%) f99.99( 23.30%) 800. (0.00000) RY (15) H 16 s( 13.25%)p 1.50( 19.91%)d 0.59( 7.87%) f 4.45( 58.98%) 801. (0.00000) RY (16) H 16 s( 27.32%)p 1.08( 29.40%)d 0.66( 17.95%) f 0.93( 25.33%) 802. (0.00000) RY (17) H 16 s( 0.10%)p99.99( 64.12%)d97.79( 9.34%) f99.99( 26.44%) 803. (0.00000) RY (18) H 16 s( 4.92%)p 7.60( 37.37%)d 8.19( 40.25%) f 3.55( 17.46%) 804. (0.00000) RY (19) H 16 s( 34.07%)p 1.10( 37.59%)d 0.70( 23.77%) f 0.13( 4.57%) 805. (0.00000) RY (20) H 16 s( 6.21%)p 7.07( 43.93%)d 6.23( 38.71%) f 1.79( 11.14%) 806. (0.00000) RY (21) H 16 s( 7.61%)p 0.90( 6.84%)d10.15( 77.22%) f 1.09( 8.33%) 807. (0.00000) RY (22) H 16 s( 0.13%)p38.94( 4.94%)d99.99( 72.11%) f99.99( 22.82%) 808. (0.00000) RY (23) H 16 s( 0.45%)p37.06( 16.80%)d99.99( 65.37%) f38.31( 17.37%) 809. (0.00000) RY (24) H 16 s( 0.12%)p72.64( 8.57%)d99.99( 82.98%) f70.73( 8.34%) 810. (0.00000) RY (25) H 16 s( 0.14%)p47.30( 6.60%)d99.99( 38.89%) f99.99( 54.36%) 811. (0.00000) RY (26) H 16 s( 0.52%)p 8.61( 4.45%)d99.99( 68.96%) f50.48( 26.07%) 812. (0.00000) RY (27) H 16 s( 0.11%)p99.99( 30.12%)d99.99( 49.01%) f99.99( 20.77%) 813. (0.00000) RY (28) H 16 s( 0.54%)p18.34( 9.85%)d27.29( 14.66%) f99.99( 74.95%) 814. (0.00000) RY (29) H 16 s( 0.04%)p99.99( 37.74%)d99.99( 31.09%) f99.99( 31.12%) 815. (0.00037) RY ( 1) H 17 s( 70.25%)p 0.36( 25.43%)d 0.06( 4.18%) f 0.00( 0.14%) -0.0086 0.8012 -0.2459 -0.0084 0.4361 -0.0074 -0.0014 0.0234 -0.1451 -0.0492 -0.1962 -0.0178 -0.0360 0.0126 -0.0107 0.0773 -0.0319 0.1580 -0.0122 -0.0813 0.0157 0.0491 0.0122 0.0251 -0.0199 0.0130 0.0020 -0.0102 0.0000 0.0077 816. (0.00026) RY ( 2) H 17 s( 69.49%)p 0.33( 22.64%)d 0.11( 7.63%) f 0.00( 0.24%) 0.0060 0.4650 0.6918 0.0090 -0.2217 0.0173 0.0595 -0.0147 0.2612 0.0071 0.1408 0.2882 -0.0447 -0.1869 0.0039 -0.1277 0.0237 -0.1152 0.0128 0.0880 -0.0127 0.0557 -0.0022 -0.0157 -0.0287 0.0302 -0.0026 0.0081 -0.0097 -0.0167 817. (0.00018) RY ( 3) H 17 s( 1.36%)p50.54( 68.48%)d20.35( 27.57%) f 1.91( 2.59%) -0.0028 0.0844 -0.0786 -0.0153 -0.4299 -0.1525 0.0591 0.5120 0.0767 -0.0898 -0.4220 -0.1256 0.0575 -0.1885 0.0264 -0.1853 0.0190 0.2607 -0.0259 -0.0628 0.0156 -0.3592 0.0542 -0.1242 -0.0334 0.0142 -0.0073 -0.0912 0.0243 0.0150 818. (0.00008) RY ( 4) H 17 s( 28.17%)p 1.15( 32.39%)d 1.40( 39.36%) f 0.00( 0.08%) 819. (0.00003) RY ( 5) H 17 s( 4.73%)p15.19( 71.92%)d 4.31( 20.38%) f 0.63( 2.97%) 820. (0.00001) RY ( 6) H 17 s( 1.47%)p41.99( 61.89%)d23.36( 34.43%) f 1.50( 2.21%) 821. (0.00001) RY ( 7) H 17 s( 9.77%)p 6.18( 60.34%)d 2.77( 27.01%) f 0.30( 2.89%) 822. (0.00001) RY ( 8) H 17 s( 15.16%)p 3.96( 60.09%)d 1.16( 17.62%) f 0.47( 7.13%) 823. (0.00000) RY ( 9) H 17 s( 1.64%)p25.72( 42.21%)d14.87( 24.41%) f19.34( 31.74%) 824. (0.00000) RY (10) H 17 s( 4.95%)p 9.82( 48.57%)d 8.18( 40.47%) f 1.22( 6.01%) 825. (0.00000) RY (11) H 17 s( 0.66%)p32.56( 21.63%)d29.45( 19.56%) f87.51( 58.14%) 826. (0.00000) RY (12) H 17 s( 0.06%)p99.99( 46.35%)d99.99( 34.00%) f99.99( 19.59%) 827. (0.00000) RY (13) H 17 s( 0.27%)p99.99( 60.02%)d99.99( 32.19%) f27.71( 7.52%) 828. (0.00000) RY (14) H 17 s( 1.36%)p17.44( 23.67%)d20.56( 27.91%) f34.67( 47.06%) 829. (0.00000) RY (15) H 17 s( 9.83%)p 0.78( 7.63%)d 2.43( 23.87%) f 5.97( 58.67%) 830. (0.00000) RY (16) H 17 s( 5.90%)p 2.33( 13.76%)d 4.17( 24.55%) f 9.46( 55.79%) 831. (0.00000) RY (17) H 17 s( 30.81%)p 0.74( 22.73%)d 0.60( 18.60%) f 0.90( 27.86%) 832. (0.00000) RY (18) H 17 s( 6.26%)p 7.34( 45.89%)d 3.58( 22.40%) f 4.07( 25.45%) 833. (0.00000) RY (19) H 17 s( 8.34%)p 4.33( 36.07%)d 5.15( 42.96%) f 1.52( 12.64%) 834. (0.00000) RY (20) H 17 s( 26.44%)p 1.23( 32.59%)d 1.37( 36.30%) f 0.18( 4.67%) 835. (0.00000) RY (21) H 17 s( 0.80%)p33.10( 26.64%)d69.38( 55.84%) f20.77( 16.72%) 836. (0.00000) RY (22) H 17 s( 1.93%)p 3.81( 7.38%)d37.95( 73.41%) f 8.93( 17.28%) 837. (0.00000) RY (23) H 17 s( 0.00%)p 1.00( 3.53%)d24.21( 85.50%) f 3.11( 10.97%) 838. (0.00000) RY (24) H 17 s( 0.04%)p99.99( 12.15%)d99.99( 38.31%) f99.99( 49.49%) 839. (0.00000) RY (25) H 17 s( 0.03%)p99.99( 9.14%)d99.99( 79.55%) f99.99( 11.29%) 840. (0.00000) RY (26) H 17 s( 0.05%)p99.99( 5.21%)d99.99( 16.96%) f99.99( 77.78%) 841. (0.00000) RY (27) H 17 s( 0.01%)p99.99( 12.76%)d99.99( 71.09%) f99.99( 16.13%) 842. (0.00000) RY (28) H 17 s( 0.21%)p15.47( 3.27%)d38.94( 8.24%) f99.99( 88.28%) 843. (0.00000) RY (29) H 17 s( 0.14%)p99.99( 15.51%)d99.99( 45.67%) f99.99( 38.68%) 844. (0.00034) RY ( 1) H 18 s( 54.75%)p 0.63( 34.59%)d 0.19( 10.53%) f 0.00( 0.13%) -0.0120 0.4773 0.5652 -0.0074 0.0194 -0.3050 -0.0347 0.4000 0.0053 -0.0557 -0.2428 -0.1694 0.0242 0.0807 -0.0056 0.2012 -0.0135 0.0750 -0.0331 0.2155 -0.0307 -0.0628 0.0070 0.0252 -0.0033 -0.0014 -0.0026 -0.0080 -0.0234 -0.0058 845. (0.00025) RY ( 2) H 18 s( 83.49%)p 0.16( 13.11%)d 0.04( 3.14%) f 0.00( 0.25%) 0.0023 0.7676 -0.4957 0.0031 -0.1556 -0.1042 0.0427 -0.2726 0.0096 -0.0123 -0.0042 -0.1327 0.0459 0.0714 0.0061 -0.1290 0.0043 -0.0211 0.0163 -0.0543 0.0176 -0.0753 -0.0015 0.0092 -0.0271 0.0349 -0.0002 0.0210 -0.0023 -0.0062 846. (0.00017) RY ( 3) H 18 s( 1.07%)p59.90( 64.19%)d29.63( 31.75%) f 2.78( 2.98%) -0.0005 -0.0591 0.0844 -0.0098 0.3289 0.0252 -0.0832 -0.4294 -0.1210 0.0809 -0.5536 -0.0643 0.1000 -0.2953 0.0304 0.0218 0.0074 -0.0288 0.0033 0.0020 -0.0072 -0.4738 0.0591 -0.1141 -0.0747 0.0561 -0.0164 -0.0653 -0.0453 -0.0383 847. (0.00008) RY ( 4) H 18 s( 30.38%)p 1.25( 37.97%)d 1.04( 31.49%) f 0.01( 0.15%) 848. (0.00006) RY ( 5) H 18 s( 2.86%)p27.80( 79.47%)d 5.64( 16.12%) f 0.54( 1.56%) 849. (0.00001) RY ( 6) H 18 s( 10.73%)p 5.47( 58.68%)d 2.58( 27.65%) f 0.27( 2.94%) 850. (0.00001) RY ( 7) H 18 s( 3.23%)p19.36( 62.61%)d 9.48( 30.65%) f 1.08( 3.50%) 851. (0.00000) RY ( 8) H 18 s( 14.05%)p 1.74( 24.42%)d 3.56( 50.08%) f 0.81( 11.44%) 852. (0.00000) RY ( 9) H 18 s( 5.11%)p 8.76( 44.71%)d 4.09( 20.90%) f 5.74( 29.28%) 853. (0.00000) RY (10) H 18 s( 6.27%)p 8.59( 53.85%)d 5.13( 32.19%) f 1.23( 7.69%) 854. (0.00000) RY (11) H 18 s( 0.05%)p99.99( 25.13%)d99.99( 17.53%) f99.99( 57.29%) 855. (0.00000) RY (12) H 18 s( 0.03%)p99.99( 31.90%)d99.99( 26.52%) f99.99( 41.56%) 856. (0.00000) RY (13) H 18 s( 0.19%)p99.99( 34.68%)d99.99( 45.01%) f99.99( 20.12%) 857. (0.00000) RY (14) H 18 s( 0.18%)p99.99( 27.52%)d64.63( 11.40%) f99.99( 60.90%) 858. (0.00000) RY (15) H 18 s( 0.67%)p36.31( 24.50%)d20.07( 13.55%) f90.79( 61.27%) 859. (0.00000) RY (16) H 18 s( 9.88%)p 2.00( 19.73%)d 2.60( 25.70%) f 4.52( 44.69%) 860. (0.00000) RY (17) H 18 s( 3.34%)p17.44( 58.28%)d 3.01( 10.07%) f 8.47( 28.31%) 861. (0.00000) RY (18) H 18 s( 21.69%)p 1.51( 32.84%)d 1.34( 29.09%) f 0.76( 16.38%) 862. (0.00000) RY (19) H 18 s( 10.16%)p 3.80( 38.59%)d 3.58( 36.36%) f 1.47( 14.89%) 863. (0.00000) RY (20) H 18 s( 23.07%)p 0.80( 18.51%)d 2.24( 51.74%) f 0.29( 6.68%) 864. (0.00000) RY (21) H 18 s( 13.42%)p 2.33( 31.22%)d 3.02( 40.52%) f 1.11( 14.83%) 865. (0.00000) RY (22) H 18 s( 4.52%)p 2.34( 10.60%)d17.16( 77.58%) f 1.62( 7.30%) 866. (0.00000) RY (23) H 18 s( 0.01%)p 1.00( 6.97%)d12.26( 85.43%) f 1.09( 7.60%) 867. (0.00000) RY (24) H 18 s( 0.08%)p99.99( 8.05%)d99.99( 34.42%) f99.99( 57.44%) 868. (0.00000) RY (25) H 18 s( 0.05%)p89.90( 4.84%)d99.99( 25.72%) f99.99( 69.38%) 869. (0.00000) RY (26) H 18 s( 0.33%)p 7.04( 2.35%)d99.99( 81.22%) f48.23( 16.09%) 870. (0.00000) RY (27) H 18 s( 0.01%)p 1.00( 16.13%)d 3.06( 49.37%) f 2.14( 34.50%) 871. (0.00000) RY (28) H 18 s( 0.35%)p41.28( 14.41%)d99.82( 34.84%) f99.99( 50.40%) 872. (0.00000) RY (29) H 18 s( 0.15%)p99.99( 20.02%)d99.99( 49.42%) f99.99( 30.41%) 873. (0.00035) RY ( 1) H 19 s( 56.97%)p 0.57( 32.63%)d 0.18( 10.28%) f 0.00( 0.12%) -0.0114 0.4586 0.5993 -0.0073 0.0478 -0.2949 -0.0364 0.4475 0.0514 -0.0580 0.1110 0.1306 -0.0016 0.0005 -0.0023 -0.1830 0.0118 -0.0189 0.0190 0.2482 -0.0432 -0.0705 -0.0071 -0.0138 -0.0031 -0.0146 0.0080 -0.0025 -0.0267 -0.0038 874. (0.00026) RY ( 2) H 19 s( 85.58%)p 0.14( 12.21%)d 0.02( 2.00%) f 0.00( 0.21%) 0.0012 0.7764 -0.5030 0.0014 -0.1757 -0.1471 0.0395 -0.2159 0.0487 -0.0358 0.0699 0.1080 -0.0346 0.1031 0.0038 0.0681 -0.0037 -0.0346 -0.0055 -0.0345 0.0175 -0.0445 0.0043 -0.0323 -0.0005 0.0001 -0.0064 -0.0299 0.0111 -0.0057 875. (0.00017) RY ( 3) H 19 s( 0.41%)p99.99( 64.48%)d79.22( 32.16%) f 7.28( 2.95%) -0.0002 0.0506 -0.0386 0.0034 -0.2795 -0.0488 0.0666 0.2050 0.0649 -0.0422 -0.6947 -0.1067 0.1335 0.2496 -0.0250 -0.1742 0.0273 0.2902 -0.0299 -0.0200 0.0072 0.3739 -0.0474 0.0021 0.0970 -0.1195 0.0236 0.0383 0.0484 0.0387 876. (0.00008) RY ( 4) H 19 s( 28.96%)p 1.44( 41.75%)d 1.00( 29.07%) f 0.01( 0.21%) 877. (0.00007) RY ( 5) H 19 s( 3.00%)p25.70( 77.09%)d 6.17( 18.51%) f 0.47( 1.40%) 878. (0.00001) RY ( 6) H 19 s( 8.95%)p 7.51( 67.21%)d 2.14( 19.19%) f 0.52( 4.64%) 879. (0.00001) RY ( 7) H 19 s( 3.25%)p16.55( 53.82%)d12.86( 41.82%) f 0.34( 1.11%) 880. (0.00000) RY ( 8) H 19 s( 9.91%)p 3.03( 30.00%)d 4.67( 46.30%) f 1.39( 13.80%) 881. (0.00000) RY ( 9) H 19 s( 2.98%)p15.51( 46.20%)d 6.44( 19.17%) f10.63( 31.65%) 882. (0.00000) RY (10) H 19 s( 6.57%)p 8.46( 55.56%)d 4.44( 29.17%) f 1.33( 8.70%) 883. (0.00000) RY (11) H 19 s( 0.25%)p99.99( 33.30%)d99.99( 29.87%) f99.99( 36.57%) 884. (0.00000) RY (12) H 19 s( 0.55%)p59.18( 32.50%)d68.71( 37.73%) f53.19( 29.21%) 885. (0.00000) RY (13) H 19 s( 2.03%)p17.20( 34.87%)d18.49( 37.50%) f12.63( 25.61%) 886. (0.00000) RY (14) H 19 s( 0.89%)p29.86( 26.56%)d15.59( 13.87%) f65.97( 58.68%) 887. (0.00000) RY (15) H 19 s( 0.33%)p51.16( 16.97%)d75.26( 24.96%) f99.99( 57.74%) 888. (0.00000) RY (16) H 19 s( 4.86%)p 8.16( 39.63%)d 3.51( 17.02%) f 7.93( 38.50%) 889. (0.00000) RY (17) H 19 s( 2.85%)p14.87( 42.33%)d 5.31( 15.10%) f13.96( 39.73%) 890. (0.00000) RY (18) H 19 s( 25.07%)p 1.14( 28.64%)d 1.09( 27.41%) f 0.75( 18.88%) 891. (0.00000) RY (19) H 19 s( 17.58%)p 2.15( 37.75%)d 1.68( 29.44%) f 0.87( 15.22%) 892. (0.00000) RY (20) H 19 s( 5.09%)p 6.03( 30.66%)d11.26( 57.28%) f 1.37( 6.97%) 893. (0.00000) RY (21) H 19 s( 25.68%)p 0.73( 18.73%)d 1.79( 45.98%) f 0.37( 9.61%) 894. (0.00000) RY (22) H 19 s( 7.28%)p 1.44( 10.51%)d10.76( 78.31%) f 0.54( 3.91%) 895. (0.00000) RY (23) H 19 s( 0.02%)p65.46( 1.22%)d99.99( 64.15%) f99.99( 34.61%) 896. (0.00000) RY (24) H 19 s( 0.05%)p46.13( 2.33%)d99.99( 25.34%) f99.99( 72.27%) 897. (0.00000) RY (25) H 19 s( 0.07%)p99.99( 19.92%)d99.99( 71.98%) f99.99( 8.03%) 898. (0.00000) RY (26) H 19 s( 0.18%)p99.99( 19.75%)d99.99( 59.79%) f99.99( 20.28%) 899. (0.00000) RY (27) H 19 s( 0.06%)p99.99( 11.76%)d99.99( 61.27%) f99.99( 26.91%) 900. (0.00000) RY (28) H 19 s( 0.19%)p10.97( 2.06%)d99.99( 42.45%) f99.99( 55.31%) 901. (0.00000) RY (29) H 19 s( 0.56%)p17.00( 9.46%)d23.08( 12.85%) f99.99( 77.13%) 902. (0.00031) RY ( 1) H 20 s( 65.36%)p 0.42( 27.73%)d 0.10( 6.73%) f 0.00( 0.18%) -0.0096 0.6982 -0.4073 -0.0136 0.4259 -0.0414 -0.0247 0.0878 -0.1654 -0.0429 0.2133 0.0946 0.0475 0.0037 0.0020 -0.1367 0.0414 -0.1456 0.0264 -0.0274 0.0074 0.1554 0.0062 -0.0318 -0.0181 -0.0205 -0.0020 0.0009 -0.0014 0.0063 903. (0.00026) RY ( 2) H 20 s( 75.43%)p 0.24( 18.16%)d 0.08( 6.15%) f 0.00( 0.26%) 0.0049 0.6214 0.6067 0.0084 -0.1498 0.0394 0.0507 -0.0492 0.1157 0.0165 -0.1203 -0.3487 0.0538 -0.1345 -0.0042 0.1686 -0.0188 0.1171 -0.0117 0.0239 -0.0036 0.0139 0.0036 -0.0234 -0.0186 0.0221 -0.0061 -0.0311 -0.0001 -0.0137 904. (0.00018) RY ( 3) H 20 s( 1.29%)p52.67( 67.87%)d21.93( 28.26%) f 2.00( 2.58%) 0.0026 -0.0779 0.0812 0.0148 0.4419 0.1621 -0.0625 -0.6298 -0.1124 0.1110 -0.1609 -0.0743 0.0165 0.0708 -0.0130 -0.2610 0.0297 0.4413 -0.0589 -0.0606 -0.0016 0.0782 -0.0207 -0.0450 0.0974 -0.1062 0.0309 -0.0441 0.0100 -0.0048 905. (0.00008) RY ( 4) H 20 s( 28.58%)p 1.13( 32.27%)d 1.37( 39.03%) f 0.00( 0.12%) 906. (0.00003) RY ( 5) H 20 s( 2.70%)p29.25( 78.84%)d 5.99( 16.15%) f 0.86( 2.31%) 907. (0.00002) RY ( 6) H 20 s( 1.75%)p31.13( 54.43%)d23.76( 41.55%) f 1.30( 2.27%) 908. (0.00001) RY ( 7) H 20 s( 10.36%)p 5.73( 59.36%)d 2.55( 26.44%) f 0.37( 3.85%) 909. (0.00000) RY ( 8) H 20 s( 8.15%)p 5.24( 42.67%)d 5.96( 48.53%) f 0.08( 0.65%) 910. (0.00000) RY ( 9) H 20 s( 6.46%)p 8.48( 54.76%)d 1.91( 12.31%) f 4.10( 26.47%) 911. (0.00000) RY (10) H 20 s( 6.19%)p 9.26( 57.32%)d 3.35( 20.76%) f 2.54( 15.73%) 912. (0.00000) RY (11) H 20 s( 0.06%)p99.99( 18.32%)d99.99( 26.31%) f99.99( 55.31%) 913. (0.00000) RY (12) H 20 s( 0.67%)p66.26( 44.22%)d42.65( 28.46%) f39.93( 26.65%) 914. (0.00000) RY (13) H 20 s( 0.31%)p99.99( 50.00%)d70.84( 22.22%) f87.55( 27.47%) 915. (0.00000) RY (14) H 20 s( 1.18%)p32.04( 37.70%)d27.84( 32.76%) f24.12( 28.37%) 916. (0.00000) RY (15) H 20 s( 3.70%)p 1.82( 6.73%)d 6.12( 22.64%) f18.10( 66.94%) 917. (0.00000) RY (16) H 20 s( 29.72%)p 0.35( 10.54%)d 1.02( 30.19%) f 0.99( 29.54%) 918. (0.00000) RY (17) H 20 s( 17.73%)p 1.72( 30.49%)d 0.62( 10.96%) f 2.30( 40.83%) 919. (0.00000) RY (18) H 20 s( 5.63%)p 7.66( 43.10%)d 3.76( 21.17%) f 5.35( 30.10%) 920. (0.00000) RY (19) H 20 s( 5.93%)p 6.43( 38.13%)d 6.66( 39.46%) f 2.78( 16.47%) 921. (0.00000) RY (20) H 20 s( 11.92%)p 2.56( 30.54%)d 3.40( 40.58%) f 1.42( 16.97%) 922. (0.00000) RY (21) H 20 s( 8.66%)p 2.02( 17.47%)d 8.06( 69.82%) f 0.47( 4.05%) 923. (0.00000) RY (22) H 20 s( 7.88%)p 1.33( 10.45%)d 7.95( 62.67%) f 2.41( 19.00%) 924. (0.00000) RY (23) H 20 s( 0.01%)p 1.00( 3.75%)d24.12( 90.52%) f 1.52( 5.72%) 925. (0.00000) RY (24) H 20 s( 0.09%)p72.86( 6.67%)d99.99( 73.83%) f99.99( 19.41%) 926. (0.00000) RY (25) H 20 s( 0.01%)p 1.00( 20.44%)d 2.18( 44.47%) f 1.72( 35.08%) 927. (0.00000) RY (26) H 20 s( 0.06%)p99.99( 16.75%)d99.99( 32.90%) f99.99( 50.29%) 928. (0.00000) RY (27) H 20 s( 0.05%)p75.53( 3.50%)d99.99( 39.18%) f99.99( 57.27%) 929. (0.00000) RY (28) H 20 s( 0.16%)p34.54( 5.48%)d70.72( 11.21%) f99.99( 83.15%) 930. (0.00000) RY (29) H 20 s( 0.11%)p99.99( 12.21%)d99.99( 54.71%) f99.99( 32.97%) 931. (0.00324) RY ( 1) S 21 s( 3.40%)p 4.12( 14.04%)d23.64( 80.43%) f 0.53( 1.81%)g 0.09( 0.32%) 0.0000 0.0000 -0.0076 0.1804 -0.0377 0.0026 0.0004 -0.0001 0.0000 0.0000 0.0232 0.0717 0.0079 -0.0001 -0.0005 0.0000 0.0037 -0.3262 0.0352 0.0054 0.0006 0.0000 -0.0057 -0.1636 -0.0096 0.0045 0.0005 -0.3865 -0.0791 -0.0010 -0.0005 -0.4424 -0.0377 0.0029 -0.0010 -0.0881 -0.0692 0.0015 -0.0004 0.6416 0.1575 -0.0018 -0.0009 -0.0392 -0.0312 0.0040 0.0003 0.0010 0.0221 -0.0399 -0.0113 0.0104 0.0139 0.0206 -0.0129 -0.0591 -0.0218 0.0722 0.0686 0.0330 -0.0046 -0.0018 0.0194 0.0104 -0.0127 -0.0006 0.0029 -0.0082 0.0448 0.0218 932. (0.00111) RY ( 2) S 21 s( 5.93%)p 6.48( 38.42%)d 9.03( 53.50%) f 0.31( 1.83%)g 0.05( 0.32%) 0.0000 0.0000 -0.0018 0.2419 -0.0273 0.0025 -0.0019 -0.0002 0.0001 0.0000 -0.0230 0.4141 -0.0019 -0.0299 0.0004 0.0000 -0.0006 -0.1776 0.0672 -0.0084 0.0005 0.0000 -0.0081 0.4175 -0.0230 -0.0178 -0.0010 -0.1927 -0.1143 0.0022 0.0008 0.4627 0.3218 -0.0232 0.0018 0.1829 0.1323 -0.0013 -0.0006 0.1115 0.1899 -0.0134 -0.0027 0.2476 -0.0718 0.0215 -0.0035 -0.0108 -0.0632 0.0383 0.0029 0.0085 0.0164 -0.0077 0.0618 0.0398 0.0579 0.0308 0.0506 0.0014 0.0062 0.0020 -0.0327 -0.0154 -0.0138 0.0118 0.0079 0.0329 0.0161 0.0126 933. (0.00080) RY ( 3) S 21 s( 3.84%)p 1.83( 7.02%)d22.58( 86.80%) f 0.58( 2.22%)g 0.03( 0.11%) 0.0000 0.0000 -0.0136 0.1911 0.0413 -0.0006 0.0055 -0.0001 0.0001 0.0000 -0.1173 0.2248 0.0329 -0.0229 0.0016 0.0000 -0.0323 -0.0152 0.0362 0.0107 0.0012 0.0000 0.0134 -0.0307 0.0068 0.0201 -0.0005 0.6815 0.0915 0.0248 -0.0078 0.2124 -0.0945 -0.0043 -0.0003 -0.1010 -0.0427 0.0033 0.0027 0.4281 0.0428 0.0385 -0.0081 -0.3736 -0.0434 -0.0189 0.0040 -0.0165 -0.0076 -0.0287 -0.0069 -0.0618 -0.0086 0.0666 0.0084 0.0696 0.0105 -0.0388 -0.0345 0.0686 0.0172 0.0162 0.0006 0.0000 -0.0052 -0.0063 -0.0125 -0.0082 -0.0144 0.0189 934. (0.00054) RY ( 4) S 21 s( 32.05%)p 0.45( 14.31%)d 1.62( 52.07%) f 0.04( 1.40%)g 0.01( 0.17%) 0.0000 0.0000 -0.0050 0.5584 -0.0921 -0.0108 -0.0024 -0.0003 0.0001 0.0000 -0.0096 -0.2018 -0.1417 0.0208 -0.0002 0.0000 -0.0086 -0.1002 -0.0114 -0.0023 0.0025 0.0000 -0.0031 0.2576 0.0680 -0.0242 0.0007 0.3702 0.0031 0.0074 -0.0011 -0.4498 0.0957 -0.0155 0.0046 0.1813 -0.0519 -0.0068 0.0025 -0.1322 -0.0965 0.0123 -0.0041 0.3296 -0.0170 0.0188 -0.0072 0.0178 -0.0061 -0.0549 -0.0076 0.0565 -0.0070 0.0129 0.0076 -0.0142 0.0050 -0.0693 -0.0390 0.0217 0.0066 -0.0070 -0.0171 -0.0049 0.0078 -0.0193 -0.0007 0.0142 -0.0252 0.0064 935. (0.00030) RY ( 5) S 21 s( 14.85%)p 1.36( 20.13%)d 4.18( 62.09%) f 0.18( 2.73%)g 0.01( 0.20%) 0.0000 0.0000 -0.0035 0.3723 -0.0986 -0.0112 -0.0002 0.0002 0.0002 0.0000 -0.0170 -0.3342 -0.0396 0.0506 -0.0042 0.0000 -0.0111 0.2045 0.0983 -0.0206 -0.0011 0.0000 -0.0149 -0.1685 0.0677 -0.0036 0.0045 -0.2268 -0.1474 -0.0044 -0.0021 0.3026 -0.0824 0.0499 -0.0065 0.5352 -0.1155 0.0186 -0.0031 0.1024 -0.1685 0.0049 -0.0053 -0.3156 0.0873 -0.0161 0.0162 -0.1109 0.0048 -0.0350 0.0312 0.0318 0.0110 0.0038 -0.0194 -0.0495 -0.0149 0.0662 0.0019 0.0586 -0.0277 -0.0293 -0.0031 -0.0036 0.0090 -0.0011 0.0079 0.0013 0.0121 -0.0291 936. (0.00019) RY ( 6) S 21 s( 4.80%)p 2.80( 13.45%)d16.06( 77.02%) f 0.88( 4.24%)g 0.10( 0.49%) 0.0000 0.0000 -0.0024 0.2156 -0.0342 -0.0168 0.0057 -0.0009 -0.0005 0.0000 -0.0016 0.1528 0.0542 -0.0108 0.0026 0.0000 -0.0253 0.1371 -0.1239 0.0300 0.0000 0.0000 0.0228 0.1895 0.1880 -0.0246 0.0035 -0.1886 0.2152 -0.0147 0.0199 -0.2705 0.2774 -0.0515 0.0027 -0.0711 0.1223 -0.0219 0.0044 -0.2707 0.1946 -0.0216 0.0125 -0.6331 -0.0185 -0.0394 0.0053 -0.0490 -0.0402 0.0383 -0.0201 -0.0312 -0.0225 -0.0611 0.0374 0.0203 0.0283 -0.0389 0.0060 -0.1397 0.0873 0.0200 -0.0244 -0.0163 -0.0260 -0.0265 -0.0066 0.0153 -0.0196 0.0401 937. (0.00012) RY ( 7) S 21 s( 15.01%)p 1.28( 19.23%)d 3.93( 58.97%) f 0.42( 6.33%)g 0.03( 0.45%) 0.0000 0.0000 0.0095 0.3714 0.1083 -0.0112 0.0160 -0.0005 0.0002 0.0000 -0.0003 -0.3357 -0.0620 0.0570 -0.0050 0.0000 0.0275 0.2343 -0.0235 0.0230 0.0026 0.0000 0.0236 0.0735 -0.0937 0.0314 0.0001 -0.1929 0.3441 0.0405 0.0069 0.2708 -0.1595 0.0410 -0.0075 -0.5028 0.0884 -0.0317 0.0117 0.0947 0.1506 0.0305 0.0002 0.1750 -0.0794 -0.0249 -0.0046 -0.0623 0.0261 -0.0013 -0.0302 0.0007 -0.0344 0.1373 0.0061 -0.0942 -0.0131 -0.1137 0.0164 -0.0883 0.0881 -0.0062 0.0354 0.0152 0.0138 -0.0187 -0.0095 -0.0385 -0.0195 -0.0221 938. (0.00009) RY ( 8) S 21 s( 2.34%)p17.99( 42.16%)d21.61( 50.64%) f 1.89( 4.42%)g 0.19( 0.44%) 939. (0.00005) RY ( 9) S 21 s( 2.73%)p23.47( 64.01%)d11.31( 30.83%) f 0.86( 2.34%)g 0.03( 0.08%) 940. (0.00003) RY (10) S 21 s( 7.16%)p 7.05( 50.47%)d 5.20( 37.20%) f 0.66( 4.69%)g 0.07( 0.48%) 941. (0.00002) RY (11) S 21 s( 1.26%)p49.82( 62.70%)d21.80( 27.44%) f 5.86( 7.38%)g 0.97( 1.22%) 942. (0.00002) RY (12) S 21 s( 2.10%)p 7.51( 15.80%)d26.24( 55.20%) f12.21( 25.69%)g 0.58( 1.21%) 943. (0.00001) RY (13) S 21 s( 1.26%)p23.06( 28.97%)d40.37( 50.71%) f14.33( 18.00%)g 0.85( 1.07%) 944. (0.00001) RY (14) S 21 s( 4.23%)p 1.54( 6.50%)d 3.85( 16.27%) f16.46( 69.64%)g 0.79( 3.36%) 945. (0.00001) RY (15) S 21 s( 5.70%)p 4.10( 23.40%)d 8.94( 50.96%) f 3.40( 19.41%)g 0.09( 0.53%) 946. (0.00001) RY (16) S 21 s( 6.00%)p 3.71( 22.27%)d 2.02( 12.12%) f 9.68( 58.08%)g 0.25( 1.53%) 947. (0.00000) RY (17) S 21 s( 3.13%)p13.82( 43.30%)d12.60( 39.49%) f 4.10( 12.85%)g 0.39( 1.23%) 948. (0.00000) RY (18) S 21 s( 2.10%)p 4.34( 9.10%)d 3.37( 7.07%) f11.20( 23.47%)g27.81( 58.27%) 949. (0.00000) RY (19) S 21 s( 10.65%)p 0.52( 5.52%)d 4.16( 44.28%) f 2.44( 25.99%)g 1.27( 13.57%) 950. (0.00000) RY (20) S 21 s( 5.81%)p 0.85( 4.94%)d 1.85( 10.75%) f 4.42( 25.68%)g 9.09( 52.82%) 951. (0.00000) RY (21) S 21 s( 4.86%)p 1.70( 8.27%)d 4.90( 23.80%) f 4.44( 21.57%)g 8.54( 41.50%) 952. (0.00000) RY (22) S 21 s( 11.57%)p 0.67( 7.80%)d 1.57( 18.20%) f 2.30( 26.61%)g 3.10( 35.82%) 953. (0.00000) RY (23) S 21 s( 1.42%)p 6.88( 9.79%)d28.73( 40.87%) f14.50( 20.62%)g19.19( 27.30%) 954. (0.00000) RY (24) S 21 s( 2.39%)p 1.46( 3.49%)d 6.82( 16.28%) f18.73( 44.68%)g13.90( 33.17%) 955. (0.00000) RY (25) S 21 s( 8.80%)p 1.35( 11.88%)d 4.47( 39.34%) f 1.81( 15.92%)g 2.73( 24.05%) 956. (0.00000) RY (26) S 21 s( 9.55%)p 1.66( 15.89%)d 4.18( 39.95%) f 2.06( 19.69%)g 1.56( 14.92%) 957. (0.00000) RY (27) S 21 s( 1.84%)p 3.23( 5.96%)d10.51( 19.38%) f17.02( 31.38%)g22.48( 41.43%) 958. (0.00000) RY (28) S 21 s( 6.38%)p 1.21( 7.70%)d 2.22( 14.16%) f 2.73( 17.38%)g 8.53( 54.38%) 959. (0.00000) RY (29) S 21 s( 1.08%)p11.09( 11.96%)d15.59( 16.81%) f15.71( 16.94%)g49.35( 53.22%) 960. (0.00000) RY (30) S 21 s( 5.76%)p 1.80( 10.38%)d 2.94( 16.94%) f 7.17( 41.27%)g 4.45( 25.65%) 961. (0.00000) RY (31) S 21 s( 5.71%)p 3.05( 17.42%)d 2.27( 12.99%) f 5.49( 31.33%)g 5.70( 32.55%) 962. (0.00000) RY (32) S 21 s( 1.54%)p 6.31( 9.71%)d27.89( 42.87%) f26.42( 40.62%)g 3.42( 5.26%) 963. (0.00000) RY (33) S 21 s( 6.48%)p 1.97( 12.79%)d 3.50( 22.71%) f 7.50( 48.64%)g 1.45( 9.37%) 964. (0.00000) RY (34) S 21 s( 2.10%)p 8.73( 18.36%)d20.08( 42.21%) f15.27( 32.11%)g 2.48( 5.22%) 965. (0.00000) RY (35) S 21 s( 2.76%)p 9.00( 24.81%)d 6.32( 17.43%) f15.75( 43.43%)g 4.20( 11.58%) 966. (0.00000) RY (36) S 21 s( 1.77%)p 6.12( 10.85%)d 9.64( 17.10%) f33.31( 59.08%)g 6.31( 11.20%) 967. (0.00000) RY (37) S 21 s( 0.81%)p39.59( 32.26%)d46.01( 37.49%) f30.64( 24.97%)g 5.46( 4.45%) 968. (0.00000) RY (38) S 21 s( 7.52%)p 1.97( 14.79%)d 4.16( 31.27%) f 4.45( 33.48%)g 1.72( 12.94%) 969. (0.00000) RY (39) S 21 s( 16.37%)p 1.65( 26.96%)d 0.88( 14.41%) f 1.55( 25.45%)g 1.03( 16.81%) 970. (0.00000) RY (40) S 21 s( 0.93%)p13.44( 12.44%)d54.66( 50.58%) f34.95( 32.34%)g 4.02( 3.72%) 971. (0.00000) RY (41) S 21 s( 6.92%)p 2.31( 16.01%)d 4.98( 34.45%) f 5.53( 38.29%)g 0.62( 4.32%) 972. (0.00000) RY (42) S 21 s( 3.84%)p 2.45( 9.39%)d11.16( 42.81%) f10.98( 42.12%)g 0.48( 1.84%) 973. (0.00000) RY (43) S 21 s( 0.21%)p25.82( 5.40%)d99.99( 55.22%) f99.99( 37.53%)g 7.85( 1.64%) 974. (0.00000) RY (44) S 21 s( 7.75%)p 1.04( 8.09%)d 6.39( 49.52%) f 4.32( 33.50%)g 0.15( 1.14%) 975. (0.00000) RY (45) S 21 s( 14.23%)p 0.52( 7.40%)d 3.60( 51.25%) f 1.79( 25.47%)g 0.12( 1.64%) 976. (0.00000) RY (46) S 21 s( 12.34%)p 2.53( 31.23%)d 1.98( 24.45%) f 2.43( 29.99%)g 0.16( 1.99%) 977. (0.00000) RY (47) S 21 s( 17.16%)p 1.75( 30.00%)d 0.72( 12.41%) f 2.28( 39.21%)g 0.07( 1.22%) 978. (0.00000) RY (48) S 21 s( 16.33%)p 0.90( 14.66%)d 1.08( 17.69%) f 2.98( 48.61%)g 0.17( 2.70%) 979. (0.00000) RY (49) S 21 s( 97.67%)p 0.02( 1.86%)d 0.00( 0.21%) f 0.00( 0.14%)g 0.00( 0.12%) 980. (0.00000) RY (50) S 21 s( 69.88%)p 0.37( 25.66%)d 0.04( 2.52%) f 0.01( 0.46%)g 0.02( 1.48%) 981. (0.00000) RY (51) S 21 s( 21.65%)p 3.49( 75.49%)d 0.08( 1.74%) f 0.02( 0.36%)g 0.04( 0.77%) 982. (0.00000) RY (52) S 21 s( 9.42%)p 6.69( 63.00%)d 2.37( 22.29%) f 0.24( 2.29%)g 0.32( 2.99%) 983. (0.00000) RY (53) S 21 s( 1.43%)p14.12( 20.21%)d22.88( 32.75%) f 4.32( 6.18%)g27.54( 39.43%) 984. (0.00000) RY (54) S 21 s( 2.74%)p 8.89( 24.36%)d 7.44( 20.40%) f 5.01( 13.73%)g14.14( 38.78%) 985. (0.00000) RY (55) S 21 s( 25.09%)p 0.12( 2.99%)d 1.46( 36.56%) f 0.27( 6.67%)g 1.14( 28.69%) 986. (0.00000) RY (56) S 21 s( 18.24%)p 0.65( 11.82%)d 2.06( 37.48%) f 0.20( 3.66%)g 1.58( 28.81%) 987. (0.00000) RY (57) S 21 s( 22.93%)p 1.30( 29.72%)d 1.01( 23.18%) f 0.63( 14.47%)g 0.42( 9.70%) 988. (0.00000) RY (58) S 21 s( 6.38%)p 2.18( 13.91%)d 6.33( 40.40%) f 3.23( 20.62%)g 2.93( 18.69%) 989. (0.00000) RY (59) S 21 s( 1.57%)p 8.24( 12.94%)d12.83( 20.14%) f14.43( 22.66%)g27.19( 42.69%) 990. (0.00000) RY (60) S 21 s( 9.23%)p 1.38( 12.74%)d 1.90( 17.53%) f 3.88( 35.83%)g 2.67( 24.67%) 991. (0.00000) RY (61) S 21 s( 0.82%)p 7.34( 6.05%)d20.07( 16.53%) f39.23( 32.31%)g53.78( 44.29%) 992. (0.00888) RY ( 1) S 22 s( 9.41%)p 0.48( 4.51%)d 8.93( 84.03%) f 0.20( 1.89%)g 0.02( 0.16%) 0.0000 0.0000 -0.0225 0.3055 0.0150 -0.0035 -0.0002 0.0001 -0.0001 0.0000 0.0111 0.1249 0.0145 0.0016 0.0000 0.0000 0.0286 0.0699 -0.0396 -0.0054 0.0006 0.0000 -0.0484 -0.1297 0.0507 0.0114 -0.0009 -0.0437 0.0047 0.0001 -0.0003 0.7266 0.0196 0.0139 -0.0019 0.2877 -0.0062 0.0004 -0.0008 0.4729 -0.0179 0.0087 -0.0001 0.0540 0.0064 0.0034 -0.0002 0.0574 0.0119 0.0837 0.0120 0.0077 0.0020 0.0133 0.0009 -0.0760 -0.0110 -0.0359 -0.0062 -0.0286 -0.0047 -0.0060 -0.0068 -0.0076 0.0219 -0.0048 0.0134 0.0194 0.0160 0.0133 993. (0.00489) RY ( 2) S 22 s( 0.43%)p51.68( 21.99%)d99.99( 73.67%) f 8.70( 3.70%)g 0.50( 0.21%) 0.0000 0.0000 -0.0042 0.0649 -0.0048 -0.0017 0.0002 0.0000 0.0000 0.0000 0.1153 -0.2597 -0.0267 -0.0003 -0.0009 0.0000 0.0244 -0.2189 0.0326 0.0022 -0.0005 0.0000 0.0718 -0.2872 -0.0341 -0.0030 0.0002 0.6430 -0.0009 0.0128 0.0001 -0.0833 0.0017 -0.0026 -0.0010 0.3448 0.0224 0.0087 -0.0022 0.0310 -0.0066 0.0020 0.0013 -0.4420 -0.0172 -0.0089 -0.0002 -0.0636 -0.0171 0.0354 0.0084 0.0960 0.0392 0.0681 0.0252 0.0663 0.0163 0.0777 0.0354 -0.0572 -0.0100 0.0049 0.0008 0.0254 0.0179 0.0001 0.0101 0.0013 -0.0313 0.0080 994. (0.00430) RY ( 3) S 22 s( 0.03%)p99.99( 35.49%)d99.99( 62.62%) f57.35( 1.57%)g10.28( 0.28%) 0.0000 0.0000 0.0014 0.0145 0.0074 0.0021 -0.0018 0.0002 0.0001 0.0000 0.0351 -0.3409 -0.0701 -0.0015 0.0014 0.0000 0.0159 0.4558 -0.0430 -0.0008 -0.0003 0.0000 0.0470 0.1430 -0.0073 -0.0024 -0.0002 -0.2024 0.0121 -0.0052 0.0011 -0.3442 0.0000 -0.0130 0.0036 -0.0264 -0.0208 0.0072 0.0000 0.6177 0.0009 0.0145 -0.0049 -0.2882 0.0164 -0.0103 0.0015 -0.0618 -0.0271 0.0076 0.0116 0.0030 0.0100 0.0589 0.0179 0.0293 0.0314 -0.0558 -0.0397 -0.0239 -0.0008 0.0023 0.0106 0.0181 -0.0079 0.0086 0.0051 -0.0253 0.0329 0.0222 995. (0.00141) RY ( 4) S 22 s( 1.90%)p13.67( 26.02%)d36.70( 69.87%) f 1.06( 2.01%)g 0.10( 0.19%) 0.0000 0.0000 0.0032 0.1369 0.0166 -0.0008 -0.0010 0.0002 0.0000 0.0000 -0.0220 -0.0164 0.1183 0.0012 0.0012 0.0000 -0.0163 0.3358 -0.0614 -0.0002 -0.0007 0.0000 -0.0177 0.3515 0.0693 0.0013 -0.0007 0.2594 0.0344 0.0045 -0.0042 -0.2205 0.0315 -0.0036 0.0007 0.5811 -0.0033 0.0096 -0.0034 -0.1072 -0.0160 0.0037 0.0002 0.4762 0.0648 0.0076 -0.0061 0.0948 0.0703 -0.0155 0.0081 0.0458 0.0219 0.0047 -0.0050 0.0150 0.0305 0.0422 0.0057 0.0120 0.0115 0.0278 0.0101 -0.0020 0.0104 0.0260 0.0019 0.0140 -0.0074 -0.0032 996. (0.00030) RY ( 5) S 22 s( 30.41%)p 1.04( 31.70%)d 1.19( 36.15%) f 0.05( 1.54%)g 0.01( 0.19%) 0.0000 0.0000 -0.0205 0.5484 -0.0493 -0.0220 -0.0019 0.0004 0.0002 0.0000 0.0186 -0.2998 -0.1970 0.0050 -0.0015 0.0000 0.0394 -0.1833 0.2426 -0.0051 0.0014 0.0000 -0.0525 0.3014 0.0133 -0.0058 0.0036 0.2925 -0.0640 0.0216 -0.0067 0.0278 0.0092 -0.0079 0.0036 -0.4490 0.0598 -0.0162 -0.0020 0.0839 -0.0489 0.0029 0.0017 0.2279 0.0597 -0.0037 0.0001 0.0359 0.0430 -0.0549 0.0274 -0.0583 -0.0159 0.0071 -0.0224 0.0212 0.0037 -0.0561 -0.0017 -0.0260 -0.0068 0.0221 0.0232 -0.0271 -0.0035 -0.0084 -0.0031 0.0074 0.0032 0.0031 997. (0.00027) RY ( 6) S 22 s( 8.79%)p 4.37( 38.43%)d 5.70( 50.11%) f 0.21( 1.86%)g 0.09( 0.81%) 0.0000 0.0000 -0.0135 -0.2066 0.2122 0.0047 -0.0007 -0.0002 -0.0001 0.0000 0.0266 -0.0588 0.2956 0.0118 -0.0029 0.0000 -0.0119 -0.4619 -0.1271 0.0040 0.0001 0.0000 -0.0244 -0.0276 -0.2424 0.0521 -0.0054 0.0572 -0.1513 -0.0009 0.0077 -0.1786 0.0780 0.0355 -0.0090 -0.0037 -0.1658 -0.0141 0.0130 0.4300 0.0214 0.0145 -0.0017 0.3921 -0.2527 0.0665 0.0010 -0.0015 -0.0670 0.0032 0.0400 0.0394 -0.0271 0.0210 0.0320 -0.0030 -0.0163 -0.0711 -0.0156 -0.0507 -0.0250 -0.0636 -0.0364 0.0247 -0.0180 -0.0189 -0.0004 -0.0302 0.0204 0.0110 998. (0.00025) RY ( 7) S 22 s( 16.14%)p 3.31( 53.38%)d 1.63( 26.28%) f 0.25( 4.10%)g 0.01( 0.10%) 0.0000 0.0000 -0.0003 0.3966 -0.0581 0.0191 -0.0183 0.0006 -0.0003 0.0000 0.0240 -0.0582 -0.2681 0.0114 0.0048 0.0000 0.0001 -0.0176 -0.2939 0.0404 0.0016 0.0000 -0.0109 -0.6016 0.0867 0.0001 -0.0020 -0.2356 -0.0770 -0.0246 -0.0139 -0.3132 0.0493 -0.0205 -0.0069 0.0637 0.0649 0.0160 -0.0020 -0.0626 -0.1439 0.0064 -0.0031 0.2526 -0.0488 0.0126 0.0072 0.0398 -0.0064 0.0651 -0.1026 0.0051 -0.0143 -0.0169 -0.0179 -0.0139 0.0133 -0.0324 0.0252 -0.0991 0.1090 0.0112 -0.0136 0.0040 -0.0105 0.0117 -0.0095 0.0141 -0.0012 -0.0098 999. (0.00016) RY ( 8) S 22 s( 10.03%)p 3.71( 37.20%)d 4.44( 44.52%) f 0.79( 7.88%)g 0.04( 0.37%) 0.0000 0.0000 0.0042 0.2085 0.2383 -0.0005 0.0041 0.0001 0.0001 0.0000 -0.0136 -0.4251 0.0900 0.0198 0.0048 0.0000 -0.0023 -0.2045 -0.1149 -0.0160 -0.0027 0.0000 0.0320 0.1512 -0.3178 0.0498 -0.0010 -0.3721 -0.0336 -0.0139 -0.0034 0.0979 0.1028 0.0335 0.0046 0.2410 -0.1894 -0.0095 -0.0046 -0.2621 0.0380 0.0020 0.0000 -0.1795 0.2960 0.0060 0.0056 -0.0245 0.0667 -0.0824 0.0701 0.0391 -0.0587 -0.1789 0.0265 -0.0947 -0.0715 -0.0939 0.0363 -0.0113 -0.0033 -0.0314 -0.0085 -0.0432 0.0001 -0.0215 -0.0083 0.0081 0.0084 -0.0116 1000. (0.00008) RY ( 9) S 22 s( 3.48%)p16.07( 55.92%)d10.37( 36.08%) f 1.16( 4.03%)g 0.14( 0.49%) 1001. (0.00004) RY (10) S 22 s( 4.48%)p13.79( 61.81%)d 5.83( 26.14%) f 1.64( 7.34%)g 0.05( 0.22%) 1002. (0.00002) RY (11) S 22 s( 11.78%)p 2.69( 31.63%)d 2.91( 34.28%) f 1.81( 21.30%)g 0.09( 1.02%) 1003. (0.00001) RY (12) S 22 s( 22.98%)p 0.61( 14.09%)d 1.30( 29.77%) f 1.33( 30.61%)g 0.11( 2.54%) 1004. (0.00001) RY (13) S 22 s( 5.94%)p 8.21( 48.77%)d 3.08( 18.30%) f 4.34( 25.77%)g 0.21( 1.22%) 1005. (0.00000) RY (14) S 22 s( 2.25%)p 2.28( 5.13%)d 2.65( 5.96%) f10.94( 24.57%)g27.65( 62.10%) 1006. (0.00000) RY (15) S 22 s( 4.47%)p 1.67( 7.46%)d 8.73( 39.06%) f 3.32( 14.85%)g 7.64( 34.16%) 1007. (0.00000) RY (16) S 22 s( 2.11%)p 0.90( 1.90%)d11.86( 25.00%) f 9.81( 20.68%)g23.87( 50.31%) 1008. (0.00000) RY (17) S 22 s( 0.98%)p 3.20( 3.14%)d15.70( 15.40%) f17.70( 17.37%)g64.33( 63.11%) 1009. (0.00000) RY (18) S 22 s( 5.79%)p 1.07( 6.17%)d 3.82( 22.14%) f 6.37( 36.90%)g 5.01( 29.00%) 1010. (0.00000) RY (19) S 22 s( 10.97%)p 0.24( 2.63%)d 2.26( 24.79%) f 3.62( 39.68%)g 2.00( 21.94%) 1011. (0.00000) RY (20) S 22 s( 1.99%)p 4.17( 8.28%)d13.29( 26.43%) f15.13( 30.08%)g16.71( 33.23%) 1012. (0.00000) RY (21) S 22 s( 1.23%)p 7.55( 9.30%)d22.33( 27.50%) f21.29( 26.22%)g29.01( 35.74%) 1013. (0.00000) RY (22) S 22 s( 2.76%)p 1.53( 4.22%)d11.17( 30.84%) f 8.01( 22.12%)g14.51( 40.05%) 1014. (0.00000) RY (23) S 22 s( 0.29%)p42.82( 12.62%)d37.03( 10.91%) f99.99( 35.06%)g99.99( 41.12%) 1015. (0.00000) RY (24) S 22 s( 0.39%)p13.81( 5.35%)d80.66( 31.28%) f99.99( 42.81%)g52.03( 20.18%) 1016. (0.00000) RY (25) S 22 s( 1.91%)p10.11( 19.33%)d12.38( 23.67%) f13.51( 25.84%)g15.29( 29.24%) 1017. (0.00000) RY (26) S 22 s( 6.50%)p 1.80( 11.68%)d 2.29( 14.88%) f 2.95( 19.13%)g 7.36( 47.81%) 1018. (0.00000) RY (27) S 22 s( 15.86%)p 1.18( 18.69%)d 1.69( 26.86%) f 1.80( 28.53%)g 0.63( 10.07%) 1019. (0.00000) RY (28) S 22 s( 2.80%)p 3.67( 10.28%)d11.51( 32.22%) f12.22( 34.21%)g 7.32( 20.49%) 1020. (0.00000) RY (29) S 22 s( 21.24%)p 0.29( 6.19%)d 1.72( 36.43%) f 1.19( 25.34%)g 0.51( 10.81%) 1021. (0.00000) RY (30) S 22 s( 1.58%)p13.72( 21.70%)d16.41( 25.96%) f29.36( 46.46%)g 2.72( 4.30%) 1022. (0.00000) RY (31) S 22 s( 1.91%)p14.38( 27.43%)d11.55( 22.02%) f19.14( 36.51%)g 6.37( 12.14%) 1023. (0.00000) RY (32) S 22 s( 1.66%)p16.35( 27.22%)d18.85( 31.39%) f15.89( 26.46%)g 7.97( 13.27%) 1024. (0.00000) RY (33) S 22 s( 18.53%)p 0.28( 5.27%)d 0.96( 17.79%) f 2.09( 38.81%)g 1.06( 19.59%) 1025. (0.00000) RY (34) S 22 s( 1.14%)p17.22( 19.58%)d13.00( 14.78%) f53.33( 60.64%)g 3.40( 3.87%) 1026. (0.00000) RY (35) S 22 s( 9.28%)p 4.16( 38.63%)d 1.12( 10.43%) f 4.28( 39.75%)g 0.21( 1.91%) 1027. (0.00000) RY (36) S 22 s( 5.89%)p 2.48( 14.58%)d 6.14( 36.14%) f 3.30( 19.40%)g 4.08( 23.99%) 1028. (0.00000) RY (37) S 22 s( 5.58%)p 0.44( 2.43%)d 4.85( 27.08%) f10.38( 57.96%)g 1.24( 6.94%) 1029. (0.00000) RY (38) S 22 s( 1.18%)p 9.51( 11.24%)d29.36( 34.69%) f31.52( 37.25%)g13.24( 15.64%) 1030. (0.00000) RY (39) S 22 s( 1.29%)p 7.32( 9.46%)d22.37( 28.90%) f37.57( 48.53%)g 9.16( 11.83%) 1031. (0.00000) RY (40) S 22 s( 8.42%)p 0.88( 7.45%)d 6.27( 52.84%) f 2.28( 19.19%)g 1.44( 12.09%) 1032. (0.00000) RY (41) S 22 s( 19.36%)p 0.83( 15.99%)d 2.04( 39.40%) f 1.01( 19.64%)g 0.29( 5.62%) 1033. (0.00000) RY (42) S 22 s( 4.58%)p 5.68( 26.02%)d11.81( 54.06%) f 2.85( 13.07%)g 0.50( 2.28%) 1034. (0.00000) RY (43) S 22 s( 1.40%)p 4.18( 5.86%)d38.96( 54.56%) f20.53( 28.76%)g 6.73( 9.42%) 1035. (0.00000) RY (44) S 22 s( 2.72%)p 4.95( 13.48%)d17.71( 48.25%) f12.81( 34.89%)g 0.24( 0.66%) 1036. (0.00000) RY (45) S 22 s( 2.54%)p 1.85( 4.70%)d31.75( 80.57%) f 4.49( 11.40%)g 0.31( 0.79%) 1037. (0.00000) RY (46) S 22 s( 3.49%)p 5.02( 17.53%)d17.38( 60.64%) f 4.85( 16.93%)g 0.40( 1.41%) 1038. (0.00000) RY (47) S 22 s( 0.41%)p66.87( 27.62%)d99.99( 46.27%) f60.25( 24.88%)g 1.97( 0.81%) 1039. (0.00000) RY (48) S 22 s( 7.76%)p 2.85( 22.15%)d 5.36( 41.61%) f 3.24( 25.18%)g 0.43( 3.30%) 1040. (0.00001) RY (49) S 22 s( 5.97%)p 1.75( 10.42%)d 2.59( 15.44%) f10.80( 64.48%)g 0.62( 3.69%) 1041. (0.00000) RY (50) S 22 s( 98.39%)p 0.01( 1.07%)d 0.00( 0.37%) f 0.00( 0.06%)g 0.00( 0.10%) 1042. (0.00000) RY (51) S 22 s( 86.08%)p 0.07( 6.11%)d 0.05( 4.61%) f 0.01( 0.99%)g 0.03( 2.21%) 1043. (0.00000) RY (52) S 22 s( 27.68%)p 1.85( 51.16%)d 0.52( 14.27%) f 0.07( 1.96%)g 0.18( 4.93%) 1044. (0.00000) RY (53) S 22 s( 9.15%)p 4.13( 37.78%)d 1.86( 16.98%) f 2.21( 20.24%)g 1.73( 15.85%) 1045. (0.00000) RY (54) S 22 s( 23.35%)p 1.38( 32.19%)d 1.54( 35.91%) f 0.25( 5.92%)g 0.11( 2.63%) 1046. (0.00000) RY (55) S 22 s( 4.01%)p 4.80( 19.27%)d10.27( 41.22%) f 4.07( 16.34%)g 4.77( 19.16%) 1047. (0.00000) RY (56) S 22 s( 1.70%)p41.27( 69.98%)d 8.29( 14.06%) f 5.93( 10.06%)g 2.48( 4.21%) 1048. (0.00000) RY (57) S 22 s( 9.21%)p 1.81( 16.68%)d 1.29( 11.91%) f 5.74( 52.88%)g 1.01( 9.32%) 1049. (0.00000) RY (58) S 22 s( 14.77%)p 1.80( 26.66%)d 1.04( 15.41%) f 0.57( 8.46%)g 2.35( 34.69%) 1050. (0.00000) RY (59) S 22 s( 5.72%)p 0.69( 3.95%)d 6.03( 34.49%) f 2.39( 13.66%)g 7.38( 42.18%) 1051. (0.00000) RY (60) S 22 s( 4.46%)p 1.52( 6.80%)d 8.94( 39.90%) f 5.99( 26.72%)g 4.96( 22.12%) 1052. (0.00000) RY (61) S 22 s( 3.16%)p 3.01( 9.51%)d12.74( 40.22%) f 4.84( 15.27%)g10.09( 31.84%) 1053. (0.01017) RY ( 1) S 23 s( 14.61%)p 0.09( 1.38%)d 5.64( 82.44%) f 0.10( 1.41%)g 0.01( 0.16%) 0.0000 0.0000 -0.0221 0.3815 0.0066 -0.0023 -0.0003 0.0001 -0.0001 0.0000 0.0437 0.0122 -0.0338 -0.0050 0.0003 0.0000 -0.0351 0.0748 0.0545 0.0083 -0.0003 0.0000 0.0043 -0.0246 -0.0088 -0.0022 0.0000 0.2014 -0.0057 -0.0010 -0.0010 -0.0535 0.0006 -0.0002 0.0003 0.3058 -0.0102 0.0082 -0.0011 0.1132 -0.0367 0.0091 -0.0006 0.8201 -0.0082 0.0182 -0.0024 -0.0394 -0.0026 -0.0678 -0.0205 0.0714 0.0037 -0.0209 -0.0005 -0.0302 -0.0077 -0.0306 -0.0034 -0.0098 -0.0046 0.0288 0.0042 0.0212 0.0033 -0.0125 0.0055 0.0051 0.0100 -0.0002 1054. (0.00618) RY ( 2) S 23 s( 0.00%)p 1.00( 23.93%)d 3.02( 72.37%) f 0.15( 3.52%)g 0.01( 0.17%) 0.0000 0.0000 -0.0002 0.0050 0.0009 -0.0001 -0.0001 0.0000 0.0000 0.0000 -0.0010 -0.0135 0.0015 -0.0006 0.0000 0.0000 0.0274 0.0789 -0.0089 0.0004 -0.0002 0.0000 0.1527 0.4530 -0.0594 -0.0019 -0.0008 0.1259 -0.0039 0.0037 -0.0001 0.6106 -0.0101 0.0187 -0.0001 -0.5345 -0.0258 -0.0142 0.0005 0.0859 0.0045 0.0021 0.0000 0.2012 0.0091 0.0052 -0.0003 0.1197 0.0368 -0.0373 -0.0120 0.0618 0.0181 -0.0046 -0.0036 0.1079 0.0378 -0.0259 -0.0081 -0.0041 -0.0010 -0.0017 -0.0071 0.0047 0.0061 -0.0138 -0.0264 -0.0252 0.0075 -0.0061 1055. (0.00235) RY ( 3) S 23 s( 10.95%)p 4.70( 51.48%)d 3.31( 36.24%) f 0.11( 1.20%)g 0.01( 0.13%) 0.0000 0.0000 0.0008 0.3308 -0.0057 0.0020 -0.0022 0.0004 0.0001 0.0000 -0.0020 0.5437 -0.0651 0.0233 0.0004 0.0000 -0.0052 0.4517 0.0763 0.0071 0.0001 0.0000 0.0028 -0.0635 -0.0178 -0.0015 -0.0001 0.1287 0.0046 -0.0042 0.0022 0.0112 0.0020 0.0015 -0.0005 0.0090 -0.0018 0.0023 -0.0012 0.4978 0.0114 0.0139 -0.0061 -0.3121 -0.0048 -0.0017 0.0003 0.0112 0.0160 0.0453 -0.0398 -0.0194 -0.0345 -0.0107 0.0083 0.0027 -0.0135 -0.0572 -0.0150 0.0504 0.0050 -0.0103 -0.0009 0.0050 0.0247 0.0065 0.0028 0.0077 -0.0005 -0.0208 1056. (0.00169) RY ( 4) S 23 s( 0.01%)p99.99( 12.26%)d99.99( 85.26%) f99.99( 2.25%)g17.71( 0.23%) 0.0000 0.0000 0.0001 0.0113 0.0008 0.0008 -0.0001 0.0000 0.0000 0.0000 -0.0007 0.0179 -0.0038 0.0011 0.0001 0.0000 -0.0011 -0.0397 0.0345 -0.0020 -0.0001 0.0000 -0.0063 -0.3054 0.1611 -0.0124 -0.0005 -0.0616 -0.0219 -0.0003 0.0020 -0.4850 -0.1145 -0.0008 0.0101 -0.7261 -0.0265 0.0035 0.0005 0.1499 0.0070 -0.0004 -0.0004 0.2222 0.0072 -0.0007 -0.0002 0.0248 -0.0109 -0.0035 -0.0045 0.0468 0.0169 0.1105 0.0732 0.0218 0.0131 -0.0092 -0.0042 0.0250 0.0162 0.0100 -0.0215 -0.0167 0.0022 -0.0181 -0.0279 0.0162 -0.0032 -0.0085 1057. (0.00034) RY ( 5) S 23 s( 2.83%)p28.12( 79.65%)d 5.57( 15.77%) f 0.48( 1.37%)g 0.13( 0.37%) 0.0000 0.0000 -0.0186 0.0548 0.1578 -0.0085 0.0029 0.0001 0.0001 0.0000 0.0364 0.4716 0.3419 -0.0075 -0.0010 0.0000 -0.0093 -0.6514 -0.1024 0.0140 0.0005 0.0000 0.0030 0.1419 0.0226 -0.0024 -0.0003 -0.2845 -0.0514 -0.0222 -0.0006 0.0360 0.0289 0.0001 0.0001 0.0522 -0.0050 0.0043 0.0039 0.2380 -0.0821 -0.0020 0.0065 0.0645 0.0281 0.0164 0.0110 -0.0100 -0.0321 0.0390 -0.0105 0.0271 0.0712 -0.0221 -0.0231 0.0209 0.0006 0.0068 0.0180 0.0562 -0.0128 0.0159 0.0070 -0.0120 -0.0463 -0.0151 0.0030 -0.0232 -0.0105 0.0143 1058. (0.00023) RY ( 6) S 23 s( 16.77%)p 1.89( 31.73%)d 2.81( 47.15%) f 0.21( 3.45%)g 0.05( 0.91%) 0.0000 0.0000 -0.0119 0.3715 -0.1701 -0.0239 0.0040 0.0002 0.0001 0.0000 0.0315 0.1608 -0.4123 0.0065 -0.0026 0.0000 -0.0432 0.0464 -0.3289 -0.0228 0.0023 0.0000 0.0082 -0.0820 0.0313 -0.0016 0.0011 -0.5505 0.0198 0.0055 -0.0017 0.1483 -0.0622 0.0102 -0.0009 -0.0579 -0.0490 -0.0110 0.0061 -0.3356 0.0529 -0.0031 -0.0069 0.0531 -0.1309 -0.0250 0.0101 0.0117 0.0010 0.1552 -0.0378 -0.0143 -0.0151 -0.0139 0.0156 0.0480 -0.0127 0.0324 0.0022 0.0575 0.0332 -0.0442 0.0139 -0.0084 0.0526 -0.0484 0.0173 0.0237 -0.0211 -0.0213 1059. (0.00018) RY ( 7) S 23 s( 1.52%)p22.73( 34.52%)d38.17( 57.96%) f 3.16( 4.80%)g 0.79( 1.20%) 0.0000 0.0000 0.0016 0.1229 0.0051 -0.0064 0.0044 -0.0001 0.0001 0.0000 -0.0152 0.1198 0.0367 0.0055 -0.0008 0.0000 -0.0070 0.1202 -0.0922 0.0164 -0.0010 0.0000 0.0034 0.4896 0.2529 0.0476 -0.0101 0.0632 0.0148 -0.0068 -0.0024 -0.3955 0.5717 -0.0763 0.0014 -0.0499 0.0565 0.0079 -0.0216 -0.2539 0.0742 -0.0164 0.0015 -0.0228 0.0938 -0.0194 0.0104 0.0573 0.0589 0.0040 -0.0639 0.0229 0.0150 0.0787 -0.1388 0.0883 0.0366 -0.0010 -0.0093 -0.0362 -0.0187 -0.0113 0.0544 0.0208 0.0241 -0.0040 0.0087 -0.0866 0.0187 0.0018 1060. (0.00017) RY ( 8) S 23 s( 3.14%)p 8.76( 27.54%)d20.40( 64.10%) f 1.52( 4.77%)g 0.15( 0.46%) 0.0000 0.0000 0.0059 0.1579 0.0785 -0.0127 0.0115 -0.0003 0.0002 0.0000 -0.0401 0.2719 0.2787 0.0098 -0.0018 0.0000 -0.0064 0.0009 -0.2737 0.0304 0.0022 0.0000 -0.0015 -0.2056 -0.0564 -0.0259 0.0042 0.4286 -0.2348 0.0130 -0.0084 0.0762 -0.2218 0.0323 0.0005 -0.0865 0.1127 -0.0187 0.0112 -0.4749 0.1689 -0.0345 -0.0052 -0.0416 0.2604 -0.0193 0.0023 0.0034 -0.0704 0.0420 -0.0923 -0.0560 0.0664 0.0104 0.0368 -0.0283 -0.0532 0.0408 0.0060 -0.1321 0.0254 0.0229 -0.0054 -0.0090 -0.0287 -0.0407 0.0127 0.0333 -0.0121 0.0056 1061. (0.00005) RY ( 9) S 23 s( 0.03%)p99.99( 39.84%)d99.99( 36.26%) f99.99( 21.77%)g66.37( 2.10%) 1062. (0.00003) RY (10) S 23 s( 1.10%)p31.55( 34.62%)d47.86( 52.53%) f 9.76( 10.71%)g 0.95( 1.04%) 1063. (0.00002) RY (11) S 23 s( 5.75%)p 9.22( 53.00%)d 5.86( 33.66%) f 1.15( 6.60%)g 0.17( 0.99%) 1064. (0.00001) RY (12) S 23 s( 0.12%)p99.99( 45.90%)d99.99( 26.97%) f99.99( 21.03%)g50.78( 5.98%) 1065. (0.00001) RY (13) S 23 s( 4.87%)p 8.08( 39.34%)d 5.09( 24.78%) f 6.28( 30.56%)g 0.09( 0.45%) 1066. (0.00000) RY (14) S 23 s( 0.49%)p43.64( 21.31%)d43.44( 21.21%) f54.24( 26.48%)g62.48( 30.51%) 1067. (0.00000) RY (15) S 23 s( 12.04%)p 0.23( 2.80%)d 3.78( 45.48%) f 1.96( 23.58%)g 1.34( 16.09%) 1068. (0.00000) RY (16) S 23 s( 1.23%)p 7.71( 9.48%)d33.59( 41.32%) f19.12( 23.51%)g19.89( 24.46%) 1069. (0.00000) RY (17) S 23 s( 4.02%)p 0.66( 2.67%)d 5.13( 20.66%) f10.80( 43.47%)g 7.25( 29.17%) 1070. (0.00000) RY (18) S 23 s( 1.93%)p 5.96( 11.49%)d19.59( 37.74%) f19.50( 37.56%)g 5.85( 11.28%) 1071. (0.00000) RY (19) S 23 s( 1.54%)p 2.35( 3.60%)d20.23( 31.07%) f33.37( 51.26%)g 8.15( 12.52%) 1072. (0.00000) RY (20) S 23 s( 2.87%)p 3.89( 11.16%)d 8.90( 25.56%) f 6.44( 18.49%)g14.59( 41.92%) 1073. (0.00000) RY (21) S 23 s( 1.16%)p 1.81( 2.10%)d23.12( 26.92%) f26.40( 30.74%)g33.56( 39.07%) 1074. (0.00000) RY (22) S 23 s( 3.48%)p 2.80( 9.76%)d10.92( 38.04%) f 8.53( 29.71%)g 5.46( 19.01%) 1075. (0.00000) RY (23) S 23 s( 6.10%)p 0.39( 2.38%)d 2.61( 15.92%) f 8.32( 50.77%)g 4.07( 24.83%) 1076. (0.00000) RY (24) S 23 s( 2.22%)p 6.93( 15.42%)d10.09( 22.43%) f18.41( 40.94%)g 8.54( 18.99%) 1077. (0.00000) RY (25) S 23 s( 1.73%)p 3.02( 5.24%)d 9.14( 15.84%) f29.55( 51.24%)g14.96( 25.94%) 1078. (0.00000) RY (26) S 23 s( 0.46%)p11.66( 5.32%)d33.14( 15.10%) f77.69( 35.41%)g95.89( 43.71%) 1079. (0.00000) RY (27) S 23 s( 2.56%)p 8.69( 22.28%)d 7.42( 19.00%) f15.57( 39.88%)g 6.35( 16.28%) 1080. (0.00000) RY (28) S 23 s( 0.58%)p34.99( 20.44%)d22.19( 12.97%) f87.24( 50.98%)g25.73( 15.03%) 1081. (0.00000) RY (29) S 23 s( 15.02%)p 1.88( 28.18%)d 1.01( 15.17%) f 1.22( 18.28%)g 1.56( 23.36%) 1082. (0.00000) RY (30) S 23 s( 1.65%)p27.74( 45.75%)d 5.92( 9.76%) f16.56( 27.31%)g 9.42( 15.53%) 1083. (0.00000) RY (31) S 23 s( 2.42%)p 2.72( 6.59%)d 7.58( 18.38%) f14.81( 35.91%)g15.14( 36.70%) 1084. (0.00000) RY (32) S 23 s( 50.60%)p 0.09( 4.48%)d 0.21( 10.76%) f 0.23( 11.49%)g 0.45( 22.67%) 1085. (0.00000) RY (33) S 23 s( 2.51%)p10.94( 27.45%)d13.98( 35.07%) f12.54( 31.45%)g 1.41( 3.53%) 1086. (0.00000) RY (34) S 23 s( 14.63%)p 1.06( 15.57%)d 0.86( 12.58%) f 1.82( 26.62%)g 2.09( 30.59%) 1087. (0.00000) RY (35) S 23 s( 0.29%)p83.25( 24.14%)d72.53( 21.03%) f99.99( 38.95%)g53.80( 15.60%) 1088. (0.00000) RY (36) S 23 s( 17.84%)p 0.22( 4.00%)d 2.70( 48.12%) f 1.22( 21.78%)g 0.46( 8.26%) 1089. (0.00000) RY (37) S 23 s( 0.57%)p16.59( 9.38%)d36.79( 20.80%) f83.51( 47.21%)g39.00( 22.05%) 1090. (0.00000) RY (38) S 23 s( 1.77%)p 3.92( 6.95%)d39.27( 69.66%) f10.55( 18.72%)g 1.63( 2.89%) 1091. (0.00000) RY (39) S 23 s( 0.13%)p57.77( 7.30%)d99.99( 22.42%) f99.99( 60.16%)g79.19( 10.00%) 1092. (0.00000) RY (40) S 23 s( 9.99%)p 2.07( 20.66%)d 3.43( 34.24%) f 2.93( 29.27%)g 0.58( 5.83%) 1093. (0.00000) RY (41) S 23 s( 0.10%)p72.53( 6.92%)d99.99( 55.85%) f99.99( 25.59%)g99.99( 11.55%) 1094. (0.00000) RY (42) S 23 s( 7.31%)p 2.78( 20.33%)d 8.42( 61.49%) f 1.10( 8.01%)g 0.39( 2.86%) 1095. (0.00000) RY (43) S 23 s( 16.17%)p 1.81( 29.25%)d 2.51( 40.64%) f 0.70( 11.36%)g 0.16( 2.58%) 1096. (0.00000) RY (44) S 23 s( 8.22%)p 2.12( 17.42%)d 7.94( 65.27%) f 1.04( 8.54%)g 0.07( 0.56%) 1097. (0.00000) RY (45) S 23 s( 43.78%)p 0.32( 14.05%)d 0.59( 25.71%) f 0.36( 15.77%)g 0.02( 0.68%) 1098. (0.00000) RY (46) S 23 s( 3.34%)p 1.24( 4.14%)d25.60( 85.45%) f 1.84( 6.13%)g 0.28( 0.94%) 1099. (0.00000) RY (47) S 23 s( 0.08%)p85.28( 7.17%)d99.99( 15.42%) f99.99( 76.17%)g13.81( 1.16%) 1100. (0.00000) RY (48) S 23 s( 17.54%)p 1.20( 21.04%)d 2.15( 37.69%) f 1.25( 21.86%)g 0.11( 1.86%) 1101. (0.00000) RY (49) S 23 s( 97.93%)p 0.01( 1.09%)d 0.01( 0.53%) f 0.00( 0.16%)g 0.00( 0.29%) 1102. (0.00000) RY (50) S 23 s( 90.93%)p 0.07( 6.78%)d 0.01( 0.95%) f 0.00( 0.18%)g 0.01( 1.16%) 1103. (0.00000) RY (51) S 23 s( 32.39%)p 0.83( 26.75%)d 0.81( 26.35%) f 0.20( 6.40%)g 0.25( 8.11%) 1104. (0.00000) RY (52) S 23 s( 4.72%)p12.68( 59.79%)d 4.49( 21.16%) f 0.86( 4.06%)g 2.18( 10.26%) 1105. (0.00000) RY (53) S 23 s( 20.49%)p 2.57( 52.75%)d 0.27( 5.57%) f 0.26( 5.36%)g 0.77( 15.83%) 1106. (0.00000) RY (54) S 23 s( 1.91%)p10.58( 20.21%)d 6.98( 13.34%) f13.33( 25.47%)g20.46( 39.08%) 1107. (0.00000) RY (55) S 23 s( 1.15%)p 9.33( 10.70%)d28.28( 32.45%) f14.97( 17.18%)g33.56( 38.52%) 1108. (0.00000) RY (56) S 23 s( 4.73%)p 2.48( 11.74%)d 3.62( 17.14%) f 4.96( 23.46%)g 9.07( 42.92%) 1109. (0.00000) RY (57) S 23 s( 6.48%)p 2.41( 15.60%)d 8.84( 57.29%) f 2.26( 14.68%)g 0.92( 5.94%) 1110. (0.00000) RY (58) S 23 s( 0.63%)p11.83( 7.47%)d42.17( 26.64%) f59.47( 37.57%)g43.81( 27.68%) 1111. (0.00000) RY (59) S 23 s( 5.73%)p 2.05( 11.77%)d 4.22( 24.18%) f 0.60( 3.46%)g 9.58( 54.87%) 1112. (0.00000) RY (60) S 23 s( 11.18%)p 1.39( 15.49%)d 2.30( 25.74%) f 3.13( 34.99%)g 1.13( 12.60%) 1113. (0.00000) RY (61) S 23 s( 3.36%)p 6.48( 21.75%)d 4.67( 15.68%) f 5.58( 18.72%)g12.07( 40.50%) 1114. (0.00895) RY ( 1) S 24 s( 9.14%)p 0.51( 4.69%)d 9.20( 84.10%) f 0.21( 1.91%)g 0.02( 0.16%) 0.0000 0.0000 -0.0226 0.3011 0.0143 -0.0034 -0.0002 0.0000 -0.0001 0.0000 0.0094 0.1277 0.0148 0.0021 -0.0001 0.0000 0.0442 0.1111 -0.0576 -0.0096 0.0009 0.0000 0.0356 0.0999 -0.0355 -0.0075 0.0004 -0.2674 -0.0048 -0.0043 0.0005 -0.6630 -0.0196 -0.0134 0.0019 -0.0454 0.0011 0.0048 0.0003 0.5488 -0.0225 0.0073 -0.0001 0.1599 0.0007 0.0020 -0.0006 -0.0391 -0.0088 0.0338 0.0043 -0.0396 -0.0075 0.0062 0.0026 0.0885 0.0118 -0.0721 -0.0103 -0.0368 -0.0060 -0.0189 0.0120 0.0108 0.0188 -0.0058 -0.0144 0.0036 0.0184 0.0084 1115. (0.00485) RY ( 2) S 24 s( 0.39%)p54.47( 21.31%)d99.99( 74.12%) f10.16( 3.98%)g 0.51( 0.20%) 0.0000 0.0000 -0.0039 0.0622 -0.0047 -0.0015 -0.0002 0.0001 0.0000 0.0000 0.1198 -0.3022 -0.0372 -0.0004 -0.0006 0.0000 0.0008 -0.0593 0.0393 0.0037 -0.0006 0.0000 -0.0828 0.3060 0.0222 0.0019 0.0001 0.6133 0.0032 0.0122 0.0004 -0.0727 -0.0035 0.0009 0.0003 -0.4884 -0.0252 -0.0121 0.0019 0.2531 0.0009 0.0078 -0.0004 -0.2369 0.0051 -0.0048 -0.0010 -0.0074 -0.0086 0.0571 0.0139 0.0732 0.0251 -0.0946 -0.0399 -0.0095 -0.0006 0.0957 0.0350 -0.0931 -0.0223 0.0188 0.0015 0.0073 0.0240 -0.0074 -0.0123 0.0037 -0.0280 0.0015 1116. (0.00429) RY ( 3) S 24 s( 0.03%)p99.99( 35.95%)d99.99( 62.31%) f55.60( 1.41%)g11.92( 0.30%) 0.0000 0.0000 0.0022 0.0136 0.0074 0.0022 -0.0018 0.0002 0.0001 0.0000 0.0158 -0.3036 -0.0684 -0.0023 0.0016 0.0000 -0.0010 0.3819 -0.0419 -0.0009 0.0000 0.0000 -0.0353 -0.3366 0.0168 0.0013 0.0003 -0.1347 0.0075 -0.0003 -0.0008 0.4042 -0.0075 0.0156 -0.0041 0.1610 0.0312 -0.0045 -0.0008 0.5712 -0.0077 0.0162 -0.0050 -0.2961 0.0010 -0.0047 0.0020 0.0528 0.0157 0.0189 0.0287 0.0131 0.0135 -0.0319 -0.0146 -0.0421 -0.0350 -0.0534 -0.0302 -0.0377 -0.0089 0.0183 -0.0106 -0.0140 -0.0190 -0.0093 -0.0173 0.0293 0.0207 0.0183 1117. (0.00137) RY ( 4) S 24 s( 1.98%)p13.41( 26.53%)d35.01( 69.28%) f 1.01( 2.00%)g 0.10( 0.20%) 0.0000 0.0000 0.0036 0.1395 0.0180 -0.0013 -0.0013 0.0002 0.0000 0.0000 -0.0182 -0.0204 0.1087 0.0000 0.0013 0.0000 -0.0102 0.1903 -0.0743 0.0001 -0.0006 0.0000 0.0187 -0.4572 -0.0390 -0.0003 0.0008 0.3448 0.0270 0.0054 -0.0042 0.1169 -0.0463 0.0032 0.0005 -0.2089 0.0362 -0.0028 -0.0004 0.0382 -0.0236 0.0063 -0.0004 0.7116 0.0617 0.0098 -0.0070 -0.0914 -0.0621 -0.0025 0.0260 -0.0494 -0.0384 -0.0093 0.0039 -0.0035 -0.0161 0.0486 0.0157 0.0087 0.0123 0.0055 -0.0255 0.0319 0.0025 0.0053 -0.0117 -0.0106 -0.0009 -0.0068 1118. (0.00029) RY ( 5) S 24 s( 34.76%)p 0.92( 32.11%)d 0.90( 31.30%) f 0.04( 1.43%)g 0.01( 0.40%) 0.0000 0.0000 -0.0148 0.5761 -0.1226 -0.0219 -0.0024 0.0005 0.0002 0.0000 0.0068 -0.2557 -0.2891 0.0011 -0.0009 0.0000 0.0536 -0.1462 0.2307 0.0015 -0.0004 0.0000 0.0251 -0.2510 -0.1743 0.0234 -0.0054 0.2116 -0.0137 0.0258 -0.0100 -0.1861 0.0129 0.0081 -0.0024 0.3613 -0.0358 -0.0018 0.0041 -0.2084 -0.0346 -0.0025 0.0000 -0.1560 0.1757 -0.0260 -0.0026 0.0288 -0.0378 -0.0326 0.0166 -0.0635 -0.0302 0.0398 0.0398 -0.0455 0.0042 -0.0150 0.0034 -0.0058 0.0164 -0.0136 -0.0232 0.0425 -0.0167 -0.0238 0.0129 -0.0205 0.0065 0.0039 1119. (0.00028) RY ( 6) S 24 s( 4.52%)p 9.82( 44.43%)d10.73( 48.51%) f 0.43( 1.96%)g 0.13( 0.58%) 0.0000 0.0000 -0.0187 -0.0705 0.1997 -0.0049 0.0013 -0.0001 0.0000 0.0000 0.0262 -0.1398 0.2472 0.0164 -0.0032 0.0000 0.0133 -0.5427 0.0595 -0.0198 0.0015 0.0000 0.0324 0.0217 0.2460 -0.0441 0.0030 0.2026 -0.1688 -0.0037 0.0069 0.0455 -0.0185 -0.0359 0.0045 0.4543 0.0048 0.0564 -0.0091 0.3042 0.0015 0.0021 0.0018 0.1994 -0.2615 0.0371 0.0060 -0.0117 0.0543 -0.0089 0.0455 0.0056 0.0135 -0.0009 0.0007 -0.0420 0.0347 -0.0694 -0.0263 -0.0592 -0.0464 -0.0034 0.0350 -0.0596 -0.0029 0.0013 -0.0039 0.0253 0.0068 0.0158 1120. (0.00024) RY ( 7) S 24 s( 14.47%)p 3.48( 50.43%)d 2.12( 30.72%) f 0.30( 4.27%)g 0.01( 0.10%) 0.0000 0.0000 -0.0030 0.3772 -0.0408 0.0217 -0.0178 0.0005 -0.0003 0.0000 0.0276 -0.0670 -0.2425 0.0098 0.0043 0.0000 0.0059 0.1238 -0.3018 0.0410 0.0027 0.0000 0.0158 0.5744 0.0378 -0.0202 0.0017 -0.0674 -0.1115 -0.0203 -0.0099 0.3838 -0.0131 0.0280 0.0117 0.1498 -0.1381 0.0024 0.0040 -0.0117 -0.1152 0.0130 -0.0036 0.2916 -0.0227 0.0235 0.0062 -0.0382 0.0220 0.0546 -0.0828 -0.0128 -0.0030 0.0563 -0.0233 0.0327 -0.0555 -0.0428 0.0296 -0.0938 0.1069 0.0120 0.0022 -0.0009 -0.0018 0.0245 0.0027 -0.0131 0.0089 -0.0048 1121. (0.00015) RY ( 8) S 24 s( 12.15%)p 2.56( 31.11%)d 3.97( 48.27%) f 0.67( 8.09%)g 0.03( 0.38%) 0.0000 0.0000 0.0040 0.2505 0.2423 -0.0031 0.0020 0.0002 0.0001 0.0000 -0.0120 -0.3642 0.0662 0.0228 0.0053 0.0000 -0.0119 -0.2297 -0.0020 -0.0287 -0.0022 0.0000 -0.0284 -0.0628 0.3368 -0.0385 0.0011 -0.3824 -0.0691 -0.0304 -0.0079 0.0705 -0.1038 -0.0238 -0.0022 -0.3795 0.3379 0.0109 0.0085 -0.1270 -0.0779 -0.0005 -0.0020 0.0006 0.1838 -0.0058 0.0014 -0.0579 -0.0002 -0.1046 0.0163 0.1147 -0.0962 0.1237 0.0151 -0.0142 0.1048 -0.1201 -0.0010 0.0528 0.0027 -0.0507 0.0137 -0.0079 -0.0085 0.0015 0.0250 -0.0102 0.0108 -0.0027 1122. (0.00008) RY ( 9) S 24 s( 4.11%)p13.64( 56.06%)d 8.44( 34.68%) f 1.14( 4.68%)g 0.11( 0.47%) 1123. (0.00004) RY (10) S 24 s( 2.97%)p22.60( 67.09%)d 7.97( 23.68%) f 2.05( 6.09%)g 0.06( 0.18%) 1124. (0.00002) RY (11) S 24 s( 10.68%)p 2.95( 31.51%)d 2.78( 29.68%) f 2.49( 26.57%)g 0.15( 1.56%) 1125. (0.00001) RY (12) S 24 s( 17.25%)p 1.02( 17.60%)d 1.65( 28.40%) f 2.03( 35.06%)g 0.10( 1.69%) 1126. (0.00001) RY (13) S 24 s( 3.73%)p11.61( 43.25%)d 7.96( 29.68%) f 5.57( 20.75%)g 0.69( 2.59%) 1127. (0.00001) RY (14) S 24 s( 18.27%)p 0.25( 4.51%)d 2.48( 45.38%) f 1.64( 30.00%)g 0.10( 1.83%) 1128. (0.00000) RY (15) S 24 s( 5.33%)p 1.77( 9.43%)d 6.78( 36.10%) f 9.07( 48.32%)g 0.16( 0.83%) 1129. (0.00000) RY (16) S 24 s( 2.77%)p14.80( 41.07%)d 8.20( 22.76%) f11.63( 32.27%)g 0.40( 1.12%) 1130. (0.00000) RY (17) S 24 s( 2.15%)p 1.99( 4.29%)d 9.67( 20.81%) f 7.12( 15.31%)g26.70( 57.44%) 1131. (0.00000) RY (18) S 24 s( 1.08%)p 3.08( 3.33%)d19.08( 20.65%) f30.44( 32.95%)g38.80( 41.99%) 1132. (0.00000) RY (19) S 24 s( 1.54%)p 3.04( 4.68%)d25.94( 39.97%) f 4.10( 6.32%)g30.81( 47.48%) 1133. (0.00000) RY (20) S 24 s( 1.27%)p 3.99( 5.05%)d10.87( 13.76%) f25.87( 32.73%)g37.30( 47.20%) 1134. (0.00000) RY (21) S 24 s( 5.22%)p 1.27( 6.62%)d 3.40( 17.78%) f 8.87( 46.35%)g 4.60( 24.03%) 1135. (0.00000) RY (22) S 24 s( 10.49%)p 0.32( 3.33%)d 2.91( 30.56%) f 1.63( 17.12%)g 3.67( 38.50%) 1136. (0.00000) RY (23) S 24 s( 4.26%)p 3.97( 16.89%)d 6.05( 25.74%) f 4.30( 18.29%)g 8.18( 34.82%) 1137. (0.00000) RY (24) S 24 s( 0.16%)p30.13( 4.75%)d83.53( 13.15%) f99.99( 37.89%)g99.99( 44.05%) 1138. (0.00000) RY (25) S 24 s( 0.44%)p15.53( 6.84%)d75.69( 33.35%) f82.39( 36.31%)g52.32( 23.06%) 1139. (0.00000) RY (26) S 24 s( 10.53%)p 0.47( 4.94%)d 1.87( 19.74%) f 2.65( 27.94%)g 3.50( 36.85%) 1140. (0.00000) RY (27) S 24 s( 0.70%)p17.86( 12.47%)d44.86( 31.33%) f34.36( 24.00%)g45.10( 31.50%) 1141. (0.00000) RY (28) S 24 s( 7.38%)p 3.93( 29.02%)d 3.31( 24.45%) f 2.50( 18.43%)g 2.81( 20.72%) 1142. (0.00000) RY (29) S 24 s( 19.32%)p 0.74( 14.26%)d 1.59( 30.75%) f 1.33( 25.77%)g 0.51( 9.90%) 1143. (0.00000) RY (30) S 24 s( 4.53%)p 3.29( 14.87%)d 7.62( 34.49%) f 7.62( 34.51%)g 2.56( 11.59%) 1144. (0.00000) RY (31) S 24 s( 3.79%)p 0.85( 3.22%)d10.82( 41.02%) f 8.57( 32.47%)g 5.15( 19.50%) 1145. (0.00000) RY (32) S 24 s( 1.53%)p16.86( 25.82%)d12.17( 18.63%) f23.38( 35.80%)g11.89( 18.21%) 1146. (0.00000) RY (33) S 24 s( 6.63%)p 3.19( 21.15%)d 1.82( 12.04%) f 6.83( 45.25%)g 2.25( 14.93%) 1147. (0.00000) RY (34) S 24 s( 4.40%)p 4.75( 20.92%)d 5.11( 22.50%) f 8.34( 36.72%)g 3.51( 15.45%) 1148. (0.00000) RY (35) S 24 s( 6.54%)p 3.28( 21.44%)d 4.96( 32.42%) f 4.82( 31.55%)g 1.23( 8.05%) 1149. (0.00000) RY (36) S 24 s( 1.38%)p11.74( 16.17%)d18.00( 24.80%) f33.61( 46.31%)g 8.23( 11.34%) 1150. (0.00000) RY (37) S 24 s( 14.20%)p 0.84( 11.92%)d 0.84( 11.95%) f 4.15( 58.94%)g 0.21( 2.99%) 1151. (0.00000) RY (38) S 24 s( 5.96%)p 4.15( 24.76%)d 3.09( 18.46%) f 5.78( 34.49%)g 2.74( 16.33%) 1152. (0.00000) RY (39) S 24 s( 5.35%)p 0.84( 4.52%)d 5.47( 29.23%) f 9.55( 51.05%)g 1.84( 9.86%) 1153. (0.00000) RY (40) S 24 s( 3.09%)p 4.81( 14.88%)d12.30( 38.03%) f11.01( 34.04%)g 3.22( 9.96%) 1154. (0.00000) RY (41) S 24 s( 0.68%)p12.02( 8.20%)d45.46( 31.00%) f48.39( 33.00%)g39.77( 27.12%) 1155. (0.00000) RY (42) S 24 s( 3.81%)p 3.97( 15.15%)d 8.97( 34.21%) f10.70( 40.81%)g 1.58( 6.01%) 1156. (0.00000) RY (43) S 24 s( 12.36%)p 0.77( 9.47%)d 4.47( 55.24%) f 1.40( 17.34%)g 0.45( 5.59%) 1157. (0.00000) RY (44) S 24 s( 15.19%)p 1.92( 29.14%)d 2.99( 45.44%) f 0.60( 9.15%)g 0.07( 1.08%) 1158. (0.00000) RY (45) S 24 s( 5.72%)p 2.36( 13.49%)d 7.76( 44.39%) f 4.55( 26.04%)g 1.81( 10.36%) 1159. (0.00000) RY (46) S 24 s( 2.17%)p 5.65( 12.28%)d21.12( 45.90%) f17.07( 37.09%)g 1.18( 2.56%) 1160. (0.00000) RY (47) S 24 s( 1.32%)p 5.37( 7.11%)d62.24( 82.40%) f 6.36( 8.42%)g 0.56( 0.75%) 1161. (0.00000) RY (48) S 24 s( 3.37%)p 4.52( 15.22%)d18.71( 62.96%) f 5.10( 17.17%)g 0.38( 1.28%) 1162. (0.00000) RY (49) S 24 s( 96.87%)p 0.02( 2.10%)d 0.00( 0.43%) f 0.00( 0.41%)g 0.00( 0.20%) 1163. (0.00000) RY (50) S 24 s( 82.63%)p 0.13( 10.91%)d 0.06( 4.72%) f 0.01( 0.81%)g 0.01( 0.94%) 1164. (0.00000) RY (51) S 24 s( 38.27%)p 1.17( 44.85%)d 0.26( 9.90%) f 0.12( 4.69%)g 0.06( 2.29%) 1165. (0.00000) RY (52) S 24 s( 17.09%)p 3.81( 65.03%)d 0.49( 8.37%) f 0.26( 4.49%)g 0.29( 5.02%) 1166. (0.00000) RY (53) S 24 s( 4.15%)p 5.01( 20.76%)d15.48( 64.20%) f 1.60( 6.63%)g 1.03( 4.27%) 1167. (0.00000) RY (54) S 24 s( 2.09%)p 8.35( 17.46%)d 8.49( 17.77%) f23.14( 48.42%)g 6.82( 14.26%) 1168. (0.00000) RY (55) S 24 s( 1.57%)p17.49( 27.39%)d15.44( 24.18%) f17.33( 27.15%)g12.59( 19.72%) 1169. (0.00000) RY (56) S 24 s( 21.15%)p 0.93( 19.63%)d 1.63( 34.55%) f 0.44( 9.28%)g 0.73( 15.38%) 1170. (0.00000) RY (57) S 24 s( 1.10%)p37.37( 41.09%)d17.12( 18.82%) f23.91( 26.29%)g11.55( 12.70%) 1171. (0.00000) RY (58) S 24 s( 3.99%)p 3.53( 14.08%)d 4.02( 16.05%) f 3.73( 14.90%)g12.76( 50.97%) 1172. (0.00000) RY (59) S 24 s( 15.16%)p 0.58( 8.82%)d 1.96( 29.71%) f 2.01( 30.54%)g 1.04( 15.77%) 1173. (0.00000) RY (60) S 24 s( 3.02%)p 1.23( 3.71%)d 5.57( 16.84%) f 3.97( 12.00%)g21.32( 64.43%) 1174. (0.00000) RY (61) S 24 s( 3.53%)p 1.16( 4.09%)d12.94( 45.66%) f 4.46( 15.75%)g 8.77( 30.96%) 1175. (0.00329) RY ( 1) S 25 s( 3.55%)p 4.00( 14.20%)d22.53( 79.97%) f 0.55( 1.96%)g 0.09( 0.32%) 0.0000 0.0000 -0.0065 0.1846 -0.0369 0.0029 0.0001 -0.0001 0.0000 0.0000 0.0250 0.0754 0.0109 -0.0006 -0.0005 0.0000 0.0080 -0.2546 0.0434 0.0035 0.0003 0.0000 0.0022 0.2622 -0.0037 -0.0052 -0.0005 -0.1851 -0.0488 -0.0022 -0.0003 0.5303 0.0646 -0.0025 0.0009 0.2804 0.0840 0.0014 0.0001 0.5853 0.1338 -0.0017 -0.0011 -0.1597 -0.0772 0.0026 0.0005 -0.0042 -0.0267 -0.0738 -0.0284 -0.0162 -0.0025 -0.0424 0.0092 0.0570 0.0373 0.0470 0.0530 0.0282 0.0049 0.0139 -0.0121 -0.0136 -0.0118 -0.0198 -0.0099 0.0191 0.0344 0.0227 1176. (0.00111) RY ( 2) S 25 s( 6.28%)p 6.16( 38.69%)d 8.43( 52.89%) f 0.29( 1.82%)g 0.05( 0.33%) 0.0000 0.0000 -0.0019 0.2489 -0.0280 0.0020 -0.0018 -0.0002 0.0001 0.0000 -0.0224 0.4122 -0.0016 -0.0302 0.0003 0.0000 0.0023 -0.3181 0.0725 -0.0033 0.0008 0.0000 0.0094 -0.3296 -0.0055 0.0193 0.0008 -0.3027 -0.2138 0.0103 -0.0001 -0.3570 -0.2674 0.0216 -0.0015 0.0256 -0.0818 0.0084 -0.0016 0.1473 0.2378 -0.0161 -0.0020 0.3250 -0.0047 0.0202 -0.0033 -0.0033 0.0431 0.0507 0.0265 0.0176 0.0269 -0.0063 -0.0682 -0.0052 -0.0250 0.0425 0.0669 0.0089 -0.0183 -0.0098 0.0190 0.0042 -0.0008 0.0223 -0.0229 -0.0288 0.0300 0.0076 1177. (0.00073) RY ( 3) S 25 s( 2.08%)p 3.63( 7.56%)d42.10( 87.70%) f 1.23( 2.56%)g 0.05( 0.10%) 0.0000 0.0000 -0.0133 0.1363 0.0454 0.0016 0.0044 0.0000 0.0001 0.0000 -0.1157 0.2371 0.0373 -0.0210 0.0019 0.0000 -0.0349 0.0203 0.0379 -0.0010 0.0011 0.0000 -0.0012 0.0224 -0.0114 -0.0214 0.0004 0.5682 0.1127 0.0292 -0.0074 -0.4519 0.0589 -0.0056 0.0023 0.0078 0.0205 -0.0007 -0.0018 0.4036 0.0150 0.0413 -0.0085 -0.4056 -0.0515 -0.0179 0.0060 0.0752 0.0115 0.0140 0.0049 -0.0578 -0.0041 -0.0558 -0.0086 -0.0947 -0.0224 -0.0069 -0.0309 0.0497 0.0119 0.0096 0.0007 0.0092 -0.0099 0.0013 0.0038 -0.0032 -0.0172 0.0197 1178. (0.00053) RY ( 4) S 25 s( 28.70%)p 0.47( 13.62%)d 1.95( 55.92%) f 0.06( 1.58%)g 0.01( 0.18%) 0.0000 0.0000 -0.0060 0.5289 -0.0843 -0.0091 -0.0042 -0.0002 0.0001 0.0000 -0.0142 -0.2009 -0.1480 0.0276 0.0002 0.0000 -0.0094 -0.1925 -0.0341 0.0055 0.0017 0.0000 0.0090 -0.1732 -0.0636 0.0241 -0.0011 0.5482 -0.0186 0.0142 -0.0020 0.2872 -0.0663 0.0086 -0.0050 -0.0261 0.0119 0.0176 -0.0056 -0.0825 -0.1160 0.0082 -0.0026 0.3853 -0.0319 0.0122 -0.0048 -0.0452 0.0081 -0.0529 0.0009 0.0112 -0.0020 -0.0401 -0.0016 -0.0493 -0.0203 -0.0667 -0.0359 0.0249 -0.0009 -0.0115 0.0247 0.0025 0.0156 -0.0013 0.0063 -0.0184 -0.0189 0.0078 1179. (0.00030) RY ( 5) S 25 s( 15.39%)p 1.26( 19.36%)d 4.05( 62.37%) f 0.17( 2.68%)g 0.01( 0.19%) 0.0000 0.0000 -0.0038 0.3811 -0.0916 -0.0158 0.0014 0.0002 0.0002 0.0000 -0.0167 -0.3261 -0.0519 0.0475 -0.0047 0.0000 -0.0067 0.2300 0.0825 -0.0110 -0.0028 0.0000 0.0189 0.1066 -0.1013 0.0087 -0.0043 -0.3112 -0.1269 -0.0227 -0.0003 -0.1961 0.1088 -0.0429 0.0079 -0.5708 0.0782 -0.0252 0.0099 0.3050 -0.1770 0.0081 -0.0054 -0.0049 0.0269 -0.0081 0.0124 0.0601 -0.0166 -0.0598 0.0185 0.0901 0.0132 -0.0585 0.0195 0.0475 0.0280 0.0389 -0.0019 0.0449 -0.0191 -0.0204 0.0045 -0.0197 0.0100 -0.0002 0.0048 0.0099 0.0127 -0.0271 1180. (0.00019) RY ( 6) S 25 s( 5.47%)p 2.73( 14.91%)d13.75( 75.20%) f 0.72( 3.91%)g 0.09( 0.51%) 0.0000 0.0000 -0.0036 0.2287 -0.0445 -0.0186 0.0064 -0.0010 -0.0006 0.0000 -0.0046 0.1945 0.0417 -0.0195 0.0027 0.0000 -0.0341 0.0557 -0.1887 0.0384 -0.0004 0.0000 -0.0121 -0.2199 -0.1384 0.0108 -0.0036 -0.0488 0.0693 0.0058 0.0165 0.3329 -0.3297 0.0592 -0.0093 -0.3600 -0.0541 -0.0105 0.0014 -0.2234 0.2160 -0.0284 0.0114 -0.5374 0.0289 -0.0394 0.0067 0.0365 0.0548 0.0517 -0.0034 0.0566 -0.0106 0.0964 -0.0598 -0.0202 -0.0330 -0.0152 0.0175 -0.0978 0.0656 0.0033 0.0355 0.0132 -0.0167 -0.0006 -0.0023 -0.0406 -0.0085 0.0412 1181. (0.00012) RY ( 7) S 25 s( 16.99%)p 1.16( 19.74%)d 3.35( 56.89%) f 0.35( 5.90%)g 0.03( 0.49%) 0.0000 0.0000 0.0080 0.3967 0.1104 -0.0058 0.0159 -0.0007 0.0001 0.0000 -0.0035 -0.3105 -0.0620 0.0677 -0.0040 0.0000 0.0150 0.2078 -0.0258 0.0188 0.0023 0.0000 -0.0283 -0.1875 0.1041 -0.0359 -0.0002 -0.2560 0.4444 0.0293 0.0123 -0.1833 -0.0031 -0.0555 0.0029 0.4676 -0.0539 0.0135 -0.0111 -0.0614 0.1490 0.0204 0.0041 -0.1099 -0.0814 -0.0339 0.0002 0.0496 0.0230 -0.0213 -0.0357 0.0028 -0.0539 -0.0723 -0.0274 0.0253 -0.0075 -0.1346 0.0030 -0.1368 0.0885 0.0088 -0.0159 -0.0057 0.0009 -0.0260 0.0352 0.0268 -0.0424 -0.0090 1182. (0.00010) RY ( 8) S 25 s( 2.18%)p20.77( 45.38%)d22.39( 48.92%) f 1.45( 3.16%)g 0.16( 0.35%) 1183. (0.00005) RY ( 9) S 25 s( 3.49%)p16.89( 58.90%)d 9.97( 34.76%) f 0.78( 2.72%)g 0.04( 0.13%) 1184. (0.00003) RY (10) S 25 s( 7.50%)p 6.36( 47.73%)d 5.13( 38.51%) f 0.75( 5.65%)g 0.08( 0.60%) 1185. (0.00002) RY (11) S 25 s( 1.26%)p48.51( 61.35%)d22.42( 28.36%) f 6.33( 8.00%)g 0.81( 1.02%) 1186. (0.00002) RY (12) S 25 s( 2.04%)p 9.20( 18.78%)d27.01( 55.11%) f11.26( 22.97%)g 0.53( 1.09%) 1187. (0.00001) RY (13) S 25 s( 1.10%)p25.34( 27.91%)d47.50( 52.31%) f15.98( 17.60%)g 0.98( 1.07%) 1188. (0.00001) RY (14) S 25 s( 1.77%)p28.64( 50.59%)d20.79( 36.71%) f 5.25( 9.28%)g 0.94( 1.66%) 1189. (0.00001) RY (15) S 25 s( 4.63%)p 1.26( 5.84%)d 5.14( 23.77%) f13.67( 63.22%)g 0.55( 2.54%) 1190. (0.00001) RY (16) S 25 s( 7.64%)p 2.47( 18.84%)d 1.54( 11.77%) f 7.96( 60.85%)g 0.12( 0.90%) 1191. (0.00000) RY (17) S 25 s( 8.02%)p 3.62( 29.07%)d 3.73( 29.94%) f 3.92( 31.47%)g 0.19( 1.50%) 1192. (0.00000) RY (18) S 25 s( 1.78%)p16.36( 29.09%)d17.66( 31.42%) f20.07( 35.70%)g 1.13( 2.01%) 1193. (0.00000) RY (19) S 25 s( 5.46%)p 1.67( 9.11%)d 5.02( 27.44%) f 6.60( 36.05%)g 4.02( 21.93%) 1194. (0.00000) RY (20) S 25 s( 4.48%)p 2.89( 12.93%)d 5.64( 25.28%) f 3.15( 14.10%)g 9.64( 43.21%) 1195. (0.00000) RY (21) S 25 s( 0.34%)p20.17( 6.90%)d52.51( 17.96%) f99.99( 41.19%)g98.21( 33.60%) 1196. (0.00000) RY (22) S 25 s( 7.31%)p 1.58( 11.57%)d 3.49( 25.51%) f 3.70( 27.07%)g 3.90( 28.54%) 1197. (0.00000) RY (23) S 25 s( 9.47%)p 0.82( 7.76%)d 2.80( 26.53%) f 2.52( 23.90%)g 3.41( 32.33%) 1198. (0.00000) RY (24) S 25 s( 1.59%)p 4.26( 6.75%)d 8.25( 13.08%) f19.13( 30.33%)g30.42( 48.25%) 1199. (0.00000) RY (25) S 25 s( 5.88%)p 0.72( 4.26%)d 3.49( 20.53%) f 8.11( 47.67%)g 3.68( 21.66%) 1200. (0.00000) RY (26) S 25 s( 1.80%)p 2.28( 4.09%)d13.86( 24.92%) f20.36( 36.62%)g18.11( 32.57%) 1201. (0.00000) RY (27) S 25 s( 9.14%)p 1.31( 11.99%)d 4.01( 36.61%) f 1.19( 10.83%)g 3.44( 31.43%) 1202. (0.00000) RY (28) S 25 s( 3.60%)p 2.46( 8.84%)d 7.02( 25.25%) f 8.63( 31.05%)g 8.69( 31.26%) 1203. (0.00000) RY (29) S 25 s( 0.63%)p17.15( 10.79%)d33.65( 21.16%) f34.65( 21.78%)g72.59( 45.64%) 1204. (0.00000) RY (30) S 25 s( 9.72%)p 1.59( 15.44%)d 0.99( 9.63%) f 0.99( 9.60%)g 5.72( 55.61%) 1205. (0.00000) RY (31) S 25 s( 8.32%)p 1.37( 11.39%)d 4.17( 34.66%) f 2.68( 22.30%)g 2.81( 23.34%) 1206. (0.00000) RY (32) S 25 s( 0.47%)p28.66( 13.48%)d13.66( 6.43%) f99.99( 47.23%)g68.83( 32.38%) 1207. (0.00000) RY (33) S 25 s( 14.01%)p 0.73( 10.25%)d 2.05( 28.72%) f 2.62( 36.73%)g 0.73( 10.29%) 1208. (0.00000) RY (34) S 25 s( 3.08%)p 5.35( 16.47%)d 7.87( 24.22%) f15.04( 46.28%)g 3.23( 9.96%) 1209. (0.00000) RY (35) S 25 s( 1.15%)p21.72( 24.88%)d20.72( 23.74%) f36.93( 42.31%)g 6.91( 7.92%) 1210. (0.00000) RY (36) S 25 s( 0.45%)p21.54( 9.60%)d59.51( 26.52%) f99.99( 51.64%)g26.48( 11.80%) 1211. (0.00000) RY (37) S 25 s( 5.15%)p 5.41( 27.87%)d 4.47( 23.04%) f 5.06( 26.10%)g 3.46( 17.84%) 1212. (0.00000) RY (38) S 25 s( 0.66%)p33.29( 21.87%)d42.07( 27.64%) f68.84( 45.23%)g 7.00( 4.60%) 1213. (0.00000) RY (39) S 25 s( 14.33%)p 1.60( 22.98%)d 2.40( 34.31%) f 1.47( 21.02%)g 0.51( 7.36%) 1214. (0.00000) RY (40) S 25 s( 6.30%)p 2.71( 17.09%)d 4.73( 29.81%) f 5.42( 34.15%)g 2.01( 12.65%) 1215. (0.00000) RY (41) S 25 s( 3.02%)p 4.29( 12.94%)d15.91( 48.03%) f 9.48( 28.63%)g 2.45( 7.38%) 1216. (0.00000) RY (42) S 25 s( 2.36%)p 9.41( 22.24%)d13.15( 31.08%) f15.16( 35.84%)g 3.58( 8.47%) 1217. (0.00000) RY (43) S 25 s( 3.57%)p 2.05( 7.32%)d16.43( 58.69%) f 7.98( 28.48%)g 0.54( 1.94%) 1218. (0.00000) RY (44) S 25 s( 5.74%)p 1.50( 8.60%)d 6.51( 37.35%) f 7.79( 44.72%)g 0.63( 3.60%) 1219. (0.00000) RY (45) S 25 s( 14.31%)p 0.26( 3.78%)d 3.24( 46.33%) f 2.34( 33.46%)g 0.15( 2.13%) 1220. (0.00000) RY (46) S 25 s( 13.54%)p 0.79( 10.67%)d 3.83( 51.81%) f 1.68( 22.79%)g 0.09( 1.20%) 1221. (0.00000) RY (47) S 25 s( 10.47%)p 2.97( 31.06%)d 2.46( 25.80%) f 2.91( 30.48%)g 0.21( 2.18%) 1222. (0.00000) RY (48) S 25 s( 22.56%)p 0.48( 10.94%)d 0.46( 10.41%) f 2.43( 54.73%)g 0.06( 1.37%) 1223. (0.00000) RY (49) S 25 s( 97.98%)p 0.01( 1.08%)d 0.00( 0.42%) f 0.00( 0.34%)g 0.00( 0.18%) 1224. (0.00000) RY (50) S 25 s( 78.53%)p 0.24( 19.10%)d 0.01( 0.70%) f 0.01( 0.65%)g 0.01( 1.01%) 1225. (0.00000) RY (51) S 25 s( 14.92%)p 5.39( 80.35%)d 0.20( 3.05%) f 0.03( 0.42%)g 0.08( 1.25%) 1226. (0.00000) RY (52) S 25 s( 7.30%)p 9.48( 69.22%)d 2.66( 19.41%) f 0.36( 2.66%)g 0.19( 1.40%) 1227. (0.00000) RY (53) S 25 s( 5.73%)p 1.88( 10.78%)d 9.97( 57.16%) f 1.57( 8.98%)g 3.03( 17.34%) 1228. (0.00000) RY (54) S 25 s( 14.98%)p 0.27( 4.00%)d 0.99( 14.77%) f 0.52( 7.86%)g 3.90( 58.39%) 1229. (0.00000) RY (55) S 25 s( 5.60%)p 4.93( 27.62%)d 5.17( 28.95%) f 2.23( 12.49%)g 4.53( 25.34%) 1230. (0.00000) RY (56) S 25 s( 4.19%)p 5.90( 24.74%)d 8.09( 33.95%) f 2.26( 9.48%)g 6.59( 27.63%) 1231. (0.00000) RY (57) S 25 s( 26.81%)p 0.87( 23.35%)d 0.91( 24.33%) f 0.30( 7.91%)g 0.66( 17.60%) 1232. (0.00000) RY (58) S 25 s( 1.60%)p 2.46( 3.93%)d16.01( 25.56%) f18.79( 30.00%)g24.36( 38.91%) 1233. (0.00000) RY (59) S 25 s( 25.52%)p 0.39( 10.02%)d 1.13( 28.87%) f 0.29( 7.32%)g 1.11( 28.28%) 1234. (0.00000) RY (60) S 25 s( 2.53%)p 4.09( 10.37%)d 8.48( 21.50%) f 6.90( 17.49%)g18.99( 48.11%) 1235. (0.00000) RY (61) S 25 s( 5.37%)p 0.42( 2.24%)d 6.40( 34.42%) f 5.74( 30.86%)g 5.04( 27.11%) 1236. (0.02873) RY ( 1)Sc 26 s( 0.00%)p 1.00( 1.08%)d89.42( 96.52%) f 1.18( 1.28%)g 1.04( 1.12%) 0.0000 0.0000 0.0000 0.0037 0.0043 -0.0016 0.0012 -0.0004 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0031 0.0014 -0.0009 0.0021 0.0000 0.0000 0.0094 -0.0085 -0.0091 0.0015 0.0000 0.0000 0.0571 -0.0549 -0.0644 0.0101 0.0001 -0.1351 0.0071 -0.0004 0.0000 0.0225 -0.9160 0.0301 0.0006 0.0029 -0.1220 0.2762 -0.0207 -0.0054 0.0022 0.0137 -0.0565 0.0024 0.0007 0.0000 0.0356 -0.1003 0.0053 0.0021 -0.0007 -0.0602 0.0187 -0.0067 0.0013 -0.0090 0.0005 -0.0449 0.0052 -0.0030 -0.0700 -0.0135 0.0001 -0.0170 0.0311 -0.0019 0.0080 -0.0054 0.0007 -0.0136 -0.0021 -0.0002 -0.0381 0.0027 -0.0169 0.0083 0.0663 -0.0043 -0.0214 -0.0005 -0.0335 0.0032 -0.0513 0.0034 -0.0230 0.0065 0.0057 -0.0014 -0.0114 0.0009 1237. (0.02735) RY ( 2)Sc 26 s( 0.00%)p 1.00( 3.18%)d27.92( 88.82%) f 1.02( 3.23%)g 1.50( 4.77%) 0.0000 0.0000 0.0000 0.0010 0.0010 -0.0007 0.0025 -0.0010 -0.0005 0.0000 0.0000 0.0000 0.0000 -0.0038 0.0021 -0.0003 0.0033 0.0000 0.0000 0.0234 -0.0005 -0.0114 0.0073 0.0000 0.0000 0.1511 -0.0045 -0.0786 0.0448 -0.0135 0.0189 0.0154 0.0008 -0.0010 -0.1200 -0.2031 0.0324 0.0122 -0.0002 -0.2073 -0.8399 -0.0973 0.0141 0.0069 0.0382 0.1454 0.0143 -0.0021 -0.0004 0.0538 0.2143 0.0274 -0.0031 -0.0022 -0.1151 0.0456 -0.0165 0.0214 -0.0126 0.0007 -0.0473 0.0262 -0.0051 -0.0333 0.0164 0.0071 -0.0942 0.0463 -0.0023 0.0230 -0.0096 0.0001 -0.0056 0.0030 0.0009 -0.0577 0.0093 -0.1360 0.0196 0.1000 -0.0153 -0.0175 0.0043 -0.0820 0.0106 -0.0630 0.0170 -0.0584 0.0061 0.0106 -0.0020 -0.0116 0.0047 1238. (0.02126) RY ( 3)Sc 26 s( 1.10%)p 0.29( 0.32%)d88.57( 97.36%) f 0.59( 0.65%)g 0.51( 0.57%) 0.0000 0.0000 0.0000 -0.0482 0.0923 0.0108 0.0050 0.0036 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0374 0.0052 0.0172 0.0009 0.0000 0.0000 0.0323 -0.0186 -0.0074 0.0046 0.0000 0.0000 0.0060 0.0009 -0.0036 0.0016 -0.0377 -0.8943 -0.0075 0.0011 -0.0024 -0.0003 0.1143 0.0038 -0.0007 0.0003 -0.0179 0.0792 -0.0160 0.0005 0.0014 -0.0183 0.1117 -0.0093 0.0011 0.0004 -0.0105 0.3726 -0.0265 -0.0001 0.0031 0.0089 0.0074 -0.0015 0.0174 0.0139 0.0005 -0.0467 -0.0074 0.0000 0.0001 0.0004 -0.0003 -0.0036 0.0088 0.0010 -0.0226 0.0086 0.0071 0.0527 0.0102 0.0040 -0.0531 -0.0041 0.0043 0.0023 -0.0220 -0.0020 -0.0020 0.0033 -0.0334 -0.0042 -0.0011 0.0023 0.0010 0.0028 0.0224 0.0078 0.0240 0.0019 1239. (0.01676) RY ( 4)Sc 26 s( 0.41%)p 0.47( 0.19%)d99.99( 98.49%) f 1.57( 0.64%)g 0.68( 0.28%) 0.0000 0.0000 0.0000 -0.0065 0.0615 0.0137 0.0061 0.0011 -0.0008 0.0000 0.0000 0.0000 0.0000 -0.0312 0.0011 0.0114 -0.0008 0.0000 0.0000 -0.0109 0.0042 -0.0128 -0.0218 0.0000 0.0000 0.0008 -0.0002 0.0015 0.0035 0.0027 0.1989 0.0003 0.0072 -0.0007 -0.0003 -0.0381 -0.0003 -0.0002 -0.0002 0.0072 0.2126 -0.0044 -0.0021 0.0011 0.0353 0.9370 0.0034 -0.0013 0.0013 0.0103 0.1377 -0.0148 -0.0038 0.0030 -0.0060 0.0004 -0.0003 0.0530 0.0130 0.0004 0.0151 -0.0017 0.0009 -0.0137 0.0002 0.0001 0.0078 -0.0013 -0.0013 -0.0326 -0.0200 -0.0081 0.0361 -0.0059 -0.0040 -0.0168 -0.0004 -0.0082 -0.0006 -0.0008 0.0014 0.0205 0.0050 0.0090 0.0035 -0.0083 -0.0010 -0.0024 0.0004 -0.0353 -0.0077 0.0218 0.0030 1240. (0.00542) RY ( 5)Sc 26 s( 0.93%)p 7.80( 7.26%)d97.11( 90.39%) f 0.92( 0.85%)g 0.61( 0.57%) 0.0000 0.0000 0.0000 0.0914 -0.0264 0.0127 0.0092 0.0043 -0.0002 0.0001 0.0000 0.0000 0.0000 -0.2127 -0.1273 -0.0336 0.0337 0.0000 0.0000 0.0661 0.0577 0.0147 -0.0049 0.0000 0.0000 -0.0275 -0.0100 0.0057 -0.0042 -0.0108 -0.3237 -0.0212 0.0123 -0.0044 0.0052 0.0568 0.0043 -0.0032 0.0006 -0.0179 -0.2067 0.0186 -0.0107 -0.0010 0.0203 0.2367 0.0201 -0.0111 0.0039 -0.0935 -0.8274 0.0102 -0.0338 -0.0048 0.0275 -0.0064 0.0025 -0.0315 -0.0081 -0.0017 -0.0320 0.0019 -0.0013 0.0039 -0.0039 0.0027 -0.0082 -0.0055 0.0024 -0.0530 -0.0040 0.0121 0.0460 0.0154 -0.0135 0.0544 0.0076 0.0281 -0.0060 0.0196 0.0024 -0.0167 -0.0085 -0.0064 0.0091 0.0083 -0.0024 -0.0078 -0.0034 -0.0205 -0.0018 -0.0191 -0.0057 1241. (0.00482) RY ( 6)Sc 26 s( 0.01%)p99.99( 29.73%)d99.99( 23.46%) f99.99( 17.17%)g99.99( 29.63%) 0.0000 0.0000 0.0000 -0.0032 0.0086 -0.0012 -0.0054 0.0011 0.0013 0.0000 0.0000 0.0000 0.0000 0.0108 0.0026 0.0020 -0.0063 0.0000 0.0000 -0.0794 -0.0045 0.0262 -0.0211 0.0000 0.0000 -0.4885 -0.0254 0.1867 -0.1248 0.0069 -0.0250 -0.0211 -0.0038 0.0019 0.0558 -0.2474 -0.0105 -0.0371 0.0035 0.1114 -0.3051 0.1986 -0.0259 -0.0129 -0.0198 0.0498 -0.0309 0.0032 0.0009 -0.0261 0.1197 -0.0544 0.0080 0.0041 0.2294 -0.1049 0.0419 -0.0796 0.0133 -0.0021 0.0918 -0.0482 0.0165 0.0408 0.0024 -0.0074 0.2841 -0.0488 0.0086 -0.0610 0.0097 -0.0021 -0.0022 -0.0014 -0.0006 0.1132 -0.0224 0.4121 -0.0377 -0.1855 0.0395 0.0314 -0.0120 0.1990 -0.0194 0.1158 -0.0263 0.1378 -0.0092 -0.0291 0.0030 0.0235 -0.0086 1242. (0.00349) RY ( 7)Sc 26 s( 43.56%)p 0.80( 34.66%)d 0.11( 4.94%) f 0.25( 10.84%)g 0.14( 6.00%) 0.0000 0.0000 0.0000 0.0226 0.6540 0.0843 -0.0135 0.0010 0.0006 0.0000 0.0000 0.0000 0.0000 -0.5111 0.2648 0.0366 0.0460 0.0000 0.0000 0.0866 -0.0421 -0.0333 0.0337 0.0000 0.0000 -0.0091 0.0035 0.0067 -0.0120 0.0199 0.1285 -0.0861 -0.0163 -0.0007 -0.0032 -0.0105 0.0115 0.0045 0.0000 -0.0186 0.0054 -0.0126 0.0146 -0.0052 -0.0208 -0.0762 0.0661 -0.0312 -0.0141 -0.0514 0.0422 -0.0539 0.0679 -0.0072 0.0960 0.0026 0.0014 -0.1331 -0.0250 0.0049 -0.2544 -0.0082 -0.0060 0.0672 -0.0010 0.0014 -0.0421 -0.0036 0.0023 -0.0508 0.0255 -0.0020 0.0783 0.0169 0.0047 0.0192 -0.0149 0.0477 -0.0016 -0.0641 -0.0078 -0.1480 0.0018 -0.1479 0.0015 0.0558 -0.0009 -0.0369 0.0020 0.0337 0.0158 -0.0574 -0.0077 1243. (0.00201) RY ( 8)Sc 26 s( 0.01%)p99.99( 38.14%)d99.99( 6.11%) f99.99( 45.04%)g99.99( 10.69%) 0.0000 0.0000 0.0000 -0.0007 0.0115 -0.0025 0.0020 0.0002 -0.0008 0.0000 0.0000 0.0000 0.0000 0.0019 0.0072 0.0012 -0.0007 0.0000 0.0000 -0.0702 -0.0524 -0.0177 0.0040 0.0000 0.0000 -0.5028 -0.3212 -0.1183 0.0586 -0.0009 0.0188 0.0393 -0.0134 0.0009 0.0007 0.1192 0.1627 -0.0461 0.0110 -0.0178 0.0316 -0.1140 0.0199 0.0039 0.0017 -0.0064 0.0192 -0.0066 -0.0010 0.0033 -0.0106 0.0288 -0.0018 -0.0008 -0.2838 0.0916 0.0241 0.0293 -0.0235 0.0071 -0.2502 0.0330 0.0137 -0.5165 -0.0186 0.0124 -0.1010 0.0770 -0.0253 0.0389 -0.0177 0.0021 -0.0986 -0.0037 0.0003 -0.0623 0.0098 0.1711 0.0195 0.1013 -0.0157 -0.0059 0.0038 -0.0304 0.0096 -0.2275 0.0200 -0.0840 0.0028 0.0157 -0.0006 -0.0468 0.0059 1244. (0.00116) RY ( 9)Sc 26 s( 10.62%)p 1.63( 17.37%)d 0.74( 7.84%) f 4.95( 52.63%)g 1.09( 11.54%) 0.0000 0.0000 0.0000 -0.0088 0.2815 -0.1637 -0.0105 -0.0047 0.0022 -0.0001 0.0000 0.0000 0.0000 0.1526 0.0879 0.0010 -0.0291 0.0000 0.0000 -0.0254 -0.0877 0.0159 -0.0394 0.0000 0.0000 -0.2084 -0.2969 -0.0060 0.0064 0.0071 -0.0279 0.0151 0.0007 0.0069 -0.0104 -0.0084 -0.2082 -0.0164 0.0175 0.0019 -0.0188 0.1335 0.0061 -0.0133 -0.0084 0.0034 -0.0461 0.0083 -0.0026 0.0023 -0.0923 0.0622 -0.0073 0.0076 -0.4626 -0.0073 0.0218 0.2279 0.0358 0.0060 0.0312 -0.0094 0.0149 0.4800 0.0168 0.0351 0.0421 -0.0443 -0.0002 0.1452 -0.0002 -0.0089 -0.0023 -0.0202 -0.0007 -0.0761 -0.0247 -0.1123 -0.0014 0.0617 0.0031 0.2033 -0.0089 0.0376 -0.0037 0.1749 -0.0109 -0.1099 -0.0032 0.0591 -0.0092 0.0577 0.0040 1245. (0.00113) RY (10)Sc 26 s( 26.71%)p 0.56( 14.91%)d 0.30( 7.97%) f 1.52( 40.54%)g 0.37( 9.89%) 0.0000 0.0000 0.0000 -0.0155 0.4518 -0.2500 -0.0122 -0.0089 0.0018 -0.0001 0.0000 0.0000 0.0000 0.2331 0.1484 0.0055 -0.0461 0.0000 0.0000 0.0181 -0.0537 0.0349 -0.0496 0.0000 0.0000 0.1314 0.2153 -0.0003 -0.0047 0.0158 -0.0392 0.1229 0.0149 0.0025 0.0027 0.0161 0.0977 0.0109 -0.0120 -0.0009 -0.0405 -0.0412 -0.0035 0.0096 -0.0105 0.0060 -0.0288 0.0256 -0.0092 0.0021 -0.1385 0.1677 -0.0012 0.0019 0.2294 0.0021 -0.0107 0.3164 0.0347 0.0094 0.1817 -0.0102 -0.0128 -0.3104 0.0080 -0.0189 0.1662 0.0388 -0.0015 0.2132 -0.0172 -0.0085 -0.2119 -0.0323 -0.0156 -0.0665 -0.0222 0.0586 0.0033 0.0207 -0.0273 0.2064 0.0037 -0.0419 0.0006 -0.1036 -0.0015 0.1832 -0.0019 0.0013 -0.0174 0.0141 0.0116 1246. (0.00067) RY (11)Sc 26 s( 1.38%)p19.41( 26.70%)d 9.10( 12.51%) f25.17( 34.61%)g18.03( 24.80%) 0.0000 0.0000 0.0000 0.0158 0.1044 0.0284 0.0404 0.0107 -0.0072 -0.0001 0.0000 0.0000 0.0000 -0.2218 -0.2461 0.2399 0.0997 0.0000 0.0000 0.1322 -0.2302 0.1334 0.0193 0.0000 0.0000 -0.0162 0.0239 -0.0137 -0.0104 -0.0057 0.0046 -0.0367 0.0960 0.0140 0.0007 -0.0037 -0.0007 -0.0250 -0.0030 -0.0062 0.0070 -0.0842 0.0017 -0.0052 0.0157 -0.0561 0.0597 -0.0188 0.0006 -0.0307 0.0531 -0.3068 0.0282 -0.0215 -0.1785 -0.0115 -0.0121 0.0952 0.0097 0.0076 0.4144 0.0288 0.0288 -0.0430 -0.0178 -0.0037 -0.0150 0.0013 0.0099 -0.1977 -0.0129 0.0394 -0.2964 0.0123 -0.0100 0.0281 0.0055 -0.0192 -0.0197 0.0215 -0.0022 0.0817 -0.0071 0.0674 0.0393 -0.0255 -0.0127 -0.0764 0.0021 -0.4659 0.0338 -0.0905 -0.0052 1247. (0.00045) RY (12)Sc 26 s( 1.67%)p24.16( 40.43%)d10.01( 16.75%) f 9.73( 16.28%)g14.85( 24.86%) 0.0000 0.0000 0.0000 -0.0001 -0.0400 0.1191 -0.0268 -0.0129 0.0082 0.0000 -0.0001 0.0000 0.0000 0.0227 0.0164 -0.1212 -0.0364 0.0000 0.0000 -0.2771 -0.4640 0.2429 0.1735 0.0000 0.0000 0.0243 0.0576 -0.0415 -0.0266 0.0122 -0.0101 0.1303 0.0032 0.0146 -0.0024 0.0002 -0.0263 -0.0061 -0.0004 0.0060 -0.0071 0.1003 0.0247 0.0031 -0.0046 -0.0007 0.0301 0.1480 0.0165 0.0233 -0.0209 0.3383 -0.0041 0.0054 -0.0211 -0.0003 -0.0113 0.2300 -0.0428 0.0394 0.0597 0.0135 0.0291 -0.0514 -0.0019 -0.0184 0.0223 -0.0068 0.0136 -0.0676 0.0364 0.0062 0.2965 -0.0165 0.0595 0.0774 -0.0161 0.0925 0.0011 -0.0767 0.0147 -0.2845 0.0442 -0.2408 -0.0031 0.1084 0.0028 -0.1369 0.0224 -0.2230 0.0476 -0.0612 0.0000 1248. (0.00034) RY (13)Sc 26 s( 1.38%)p11.30( 15.56%)d 2.98( 4.10%) f33.16( 45.65%)g24.20( 33.31%) 0.0000 0.0000 0.0000 0.0107 -0.0630 0.0658 0.0672 -0.0278 -0.0075 0.0000 0.0000 0.0000 0.0000 -0.1827 0.1644 -0.0405 0.0925 0.0000 0.0000 0.1636 0.1627 0.0521 -0.1641 0.0000 0.0000 0.0002 -0.0340 0.0020 0.0309 -0.0012 0.0141 0.1353 0.0494 -0.0083 -0.0002 -0.0069 -0.0259 -0.0018 -0.0014 0.0035 0.0039 -0.0103 -0.0190 -0.0033 -0.0099 -0.0684 0.0815 -0.0249 -0.0073 0.0168 0.0668 -0.0279 -0.0338 -0.0074 -0.0214 -0.0163 0.0157 0.4064 -0.1179 0.0398 -0.0228 0.0413 -0.0449 -0.1147 -0.0069 0.0105 0.1194 -0.0345 -0.0009 -0.1341 -0.0049 -0.0569 0.4620 -0.0759 0.0371 0.3379 0.0086 -0.1012 0.0065 0.2357 0.0216 0.2036 0.0178 0.2769 -0.0179 -0.0606 -0.0042 0.0921 -0.0169 -0.0407 -0.0592 -0.1268 0.0099 1249. (0.00026) RY (14)Sc 26 s( 6.51%)p 4.85( 31.58%)d 0.66( 4.32%) f 4.03( 26.25%)g 4.81( 31.34%) 0.0000 0.0000 0.0000 -0.0071 -0.1176 0.2220 -0.0201 -0.0390 0.0014 0.0002 0.0000 0.0000 0.0000 -0.1125 0.4613 -0.1823 0.1597 0.0000 0.0000 0.1009 -0.0842 0.0625 0.0113 0.0000 0.0000 -0.0473 0.0396 -0.0454 -0.0666 0.0015 -0.0139 -0.0123 -0.0605 -0.0066 -0.0018 -0.0004 0.0167 0.0033 0.0044 -0.0042 -0.0166 -0.0282 0.0060 0.0003 -0.0044 0.0104 -0.1301 -0.0425 -0.0026 -0.0160 -0.0678 -0.0524 0.1058 -0.0018 -0.1282 -0.0119 -0.0023 0.0026 0.0788 -0.0342 0.4411 -0.0443 0.0296 -0.1432 0.0441 -0.0195 -0.0814 0.0390 -0.0193 -0.0557 0.0416 -0.0129 0.0655 -0.0149 0.0185 -0.4113 0.0357 -0.0429 0.0011 -0.1664 -0.0010 -0.0363 -0.0029 0.1921 -0.0074 0.0469 -0.0039 -0.0156 0.0217 0.2677 0.0152 -0.0014 0.0170 1250. (0.00025) RY (15)Sc 26 s( 0.50%)p18.46( 9.26%)d 3.00( 1.51%) f99.99( 53.94%)g69.33( 34.79%) 0.0000 0.0000 0.0000 0.0001 -0.0189 0.0668 -0.0139 -0.0014 0.0030 0.0001 0.0000 0.0000 0.0000 0.0068 0.0770 -0.0430 0.0035 0.0000 0.0000 0.0279 -0.0527 0.0286 0.0380 0.0000 0.0000 0.0995 -0.1388 0.0498 0.2176 0.0021 0.0000 0.0025 -0.0045 -0.0007 0.0015 0.0261 0.0151 0.0710 -0.0060 -0.0038 -0.0005 0.0171 0.0827 -0.0032 0.0004 0.0026 -0.0056 0.0027 -0.0005 0.0003 -0.0155 0.0382 -0.0109 0.0005 -0.0614 0.0675 0.0173 -0.2007 0.0676 -0.0417 0.0239 -0.0097 0.0235 0.0742 -0.0855 0.0319 0.6690 -0.0484 0.0188 -0.1354 0.0003 -0.0061 0.0074 -0.0200 0.0098 -0.0228 -0.0269 -0.1180 0.0118 -0.1525 0.0611 0.0949 -0.0258 -0.1312 0.0252 -0.4857 0.0076 -0.1674 -0.0325 0.0244 0.0058 -0.1112 -0.0067 1251. (0.00021) RY (16)Sc 26 s( 1.58%)p19.26( 30.40%)d 1.85( 2.92%) f13.71( 21.63%)g27.54( 43.47%) 0.0000 0.0000 0.0000 -0.0006 -0.0103 0.1233 -0.0064 -0.0205 0.0025 -0.0001 0.0000 0.0000 0.0000 0.0557 0.1759 -0.0482 0.0306 0.0000 0.0000 -0.0425 -0.0825 0.0963 -0.0297 0.0000 0.0000 0.3139 -0.1956 0.3296 0.0505 -0.0046 -0.0248 0.0633 0.0431 -0.0025 0.0083 0.0145 0.0425 -0.0353 0.0147 -0.0061 -0.0177 0.0521 0.0058 -0.0124 -0.0012 0.0128 0.0518 0.0917 0.0011 -0.0013 -0.0388 0.0214 0.0514 0.0006 -0.1453 -0.0454 0.0265 -0.1878 0.0581 -0.0312 -0.3176 -0.0140 0.0029 -0.1094 0.0011 0.0089 -0.0042 0.0249 -0.0363 0.1896 -0.0067 -0.0323 -0.0268 -0.0053 -0.0006 -0.1609 0.0154 0.0133 -0.0324 -0.1169 -0.0012 0.0747 -0.0101 0.3537 -0.0225 0.1088 0.0112 0.2137 -0.0609 -0.4473 -0.0280 0.0124 0.0012 1252. (0.00021) RY (17)Sc 26 s( 1.57%)p20.61( 32.34%)d 2.19( 3.44%) f17.36( 27.24%)g22.56( 35.41%) 0.0000 0.0000 0.0000 -0.0016 -0.0079 0.1234 0.0095 -0.0176 0.0003 0.0000 0.0000 0.0000 0.0000 0.0543 0.1496 -0.0322 0.0332 0.0000 0.0000 -0.0962 0.0200 -0.0169 -0.0655 0.0000 0.0000 -0.2878 0.2858 -0.3418 -0.0198 -0.0080 -0.0246 0.0519 0.0449 -0.0092 -0.0047 -0.0173 -0.0926 -0.0130 -0.0212 0.0054 0.0001 -0.0485 0.0650 0.0125 -0.0044 0.0009 0.0736 0.0674 -0.0029 -0.0028 -0.0280 0.0379 0.0207 -0.0056 0.2243 0.0824 -0.0613 -0.1040 0.0587 -0.0471 -0.0567 0.0367 -0.0386 0.2898 -0.0256 -0.0058 -0.2108 0.0229 0.0057 0.2200 -0.0138 -0.0373 0.0960 -0.0114 -0.0061 -0.1255 0.0182 -0.0462 0.0365 -0.0235 -0.0077 0.1721 -0.0345 0.1327 0.0081 -0.3625 0.0019 -0.1020 0.0165 -0.3660 -0.0535 -0.0806 -0.0079 1253. (0.00018) RY (18)Sc 26 s( 3.61%)p 6.16( 22.21%)d 4.09( 14.74%) f 9.38( 33.83%)g 7.11( 25.61%) 0.0000 0.0000 0.0000 0.0095 0.1269 0.1392 0.0090 -0.0106 0.0173 -0.0004 0.0000 0.0000 0.0000 0.2979 0.0530 -0.0123 0.1196 0.0000 0.0000 0.0714 0.1351 0.1089 0.2291 0.0000 0.0000 -0.0445 -0.0141 -0.1118 -0.1171 0.0072 -0.0113 -0.1983 -0.0899 -0.0389 -0.0064 0.0091 0.1084 0.0866 0.0122 0.0032 -0.0036 0.1315 -0.0193 0.0071 0.0118 0.0033 0.1132 0.0702 0.0100 0.0012 -0.0158 0.2043 0.0248 0.0210 0.1736 -0.0458 0.0094 -0.0202 -0.0251 -0.0008 -0.1592 0.0594 -0.0063 -0.0590 0.0224 0.0041 0.0364 -0.0266 -0.0110 -0.4798 -0.0845 0.0312 -0.1708 0.0040 0.0480 -0.1106 0.0143 -0.1657 0.0096 0.1775 -0.0048 0.1460 -0.0236 0.1637 -0.0416 0.2270 0.0211 -0.2639 -0.0070 -0.0576 -0.0201 -0.0929 -0.0148 1254. (0.00017) RY (19)Sc 26 s( 1.10%)p11.92( 13.06%)d11.35( 12.44%) f23.22( 25.45%)g43.76( 47.95%) 0.0000 0.0000 0.0000 0.0039 0.0691 0.0767 0.0078 -0.0092 0.0118 -0.0001 0.0000 0.0000 0.0000 0.1610 0.0354 -0.0421 0.0506 0.0000 0.0000 0.1081 0.1192 0.0762 0.1848 0.0000 0.0000 -0.0245 0.0311 0.1061 0.1429 0.0081 -0.0075 -0.1963 -0.1051 -0.0228 0.0065 -0.0206 -0.1858 -0.0631 -0.0068 0.0026 -0.0058 -0.0037 0.0630 0.0050 0.0068 0.0100 0.0385 0.0102 0.0118 0.0016 -0.0060 0.1702 -0.0101 0.0119 -0.1914 0.0492 -0.0321 0.1090 -0.0236 -0.0099 0.0204 0.0426 -0.0241 0.1225 -0.0708 -0.0193 -0.2889 -0.0064 0.0296 -0.2856 -0.0503 0.0124 -0.0935 -0.0193 0.0306 0.1311 0.0036 0.0994 0.0088 -0.2180 0.0007 -0.0789 -0.0165 -0.0764 -0.0330 -0.3047 -0.0014 0.5239 -0.0277 0.0226 0.0055 -0.1510 -0.0050 1255. (0.00016) RY (20)Sc 26 s( 15.73%)p 1.31( 20.61%)d 2.11( 33.24%) f 1.43( 22.45%)g 0.51( 7.97%) 0.0000 0.0000 0.0000 -0.0068 0.1814 0.3510 -0.0322 0.0058 0.0109 -0.0005 0.0000 0.0000 0.0000 0.2111 -0.1354 0.1632 0.0125 0.0000 0.0000 -0.2211 0.0773 -0.1019 -0.2185 0.0000 0.0000 0.0381 -0.0232 0.0195 0.0326 -0.0026 -0.0190 -0.2821 -0.0736 -0.0173 0.0004 0.0036 0.0243 0.0229 0.0030 -0.0028 -0.0108 0.0728 0.0364 0.0065 -0.0113 -0.0011 0.4616 0.1331 0.0106 -0.0017 -0.0335 -0.0715 0.0315 0.0221 -0.1030 -0.0029 0.0063 -0.1384 -0.0313 -0.0087 0.2655 -0.0118 -0.0041 -0.1358 -0.0034 0.0077 0.0117 -0.0083 -0.0060 0.2083 0.0427 -0.0261 0.2346 0.0500 -0.0283 0.0201 0.0228 0.0103 -0.0137 0.0375 0.0160 0.0671 0.0282 -0.0902 0.0384 0.0782 -0.0021 0.0398 0.0094 0.1141 -0.0058 -0.1950 -0.0555 1256. (0.00013) RY (21)Sc 26 s( 0.15%)p99.99( 20.94%)d99.99( 32.35%) f99.99( 15.44%)g99.99( 31.12%) 0.0000 0.0000 0.0000 0.0027 0.0200 0.0002 0.0320 0.0042 0.0048 0.0000 0.0000 0.0000 0.0000 0.0055 -0.0355 -0.0184 -0.0121 0.0000 0.0000 0.0368 0.0592 0.0365 -0.0002 0.0000 0.0000 0.2251 -0.1118 0.1046 -0.3568 0.0025 0.0069 0.0706 -0.0154 -0.0068 0.0032 0.0169 0.5076 -0.0790 0.0234 -0.0025 0.0169 -0.1663 0.0104 -0.0017 -0.0006 -0.0016 0.0984 0.0236 0.0068 0.0044 0.0117 0.1218 0.0076 0.0034 -0.0827 -0.1192 0.0498 0.0737 -0.0456 0.0055 0.0648 -0.0360 0.0304 0.2889 -0.0245 0.0283 -0.1484 0.0833 -0.0273 -0.0130 -0.0150 -0.0012 0.0244 0.0368 0.0063 0.0583 0.0052 0.3889 0.0282 -0.0942 -0.0094 0.1070 -0.0252 0.0807 0.0034 -0.2331 0.0227 -0.2348 0.0322 0.1033 -0.0268 -0.0755 0.0053 1257. (0.00011) RY (22)Sc 26 s( 3.23%)p 9.19( 29.64%)d 4.79( 15.46%) f 6.64( 21.43%)g 9.37( 30.24%) 0.0000 0.0000 0.0000 0.0218 0.0203 -0.0095 0.1734 0.0093 0.0338 -0.0002 0.0000 0.0000 0.0000 -0.2031 -0.1475 -0.2847 -0.3434 0.0000 0.0000 0.1088 0.0946 0.0534 -0.0734 0.0000 0.0000 -0.0427 0.0033 -0.0518 0.0301 0.0025 -0.0170 -0.1402 -0.0102 -0.0371 -0.0018 -0.0019 -0.0136 0.0182 -0.0006 0.0043 0.0152 0.1205 0.0431 -0.0010 -0.0062 0.0051 0.1565 0.0568 0.0239 0.0195 0.0706 0.2451 0.1489 -0.0080 -0.0174 -0.0153 0.0047 0.1101 -0.1422 -0.0473 0.0841 0.0284 -0.0104 -0.0177 -0.0212 -0.0102 0.0755 -0.0488 -0.0223 0.2297 -0.0910 -0.0394 -0.2576 0.1765 0.0409 0.0551 0.0206 -0.1714 -0.0211 -0.0779 0.0007 -0.3353 -0.0139 0.3434 0.0606 -0.0514 -0.0365 -0.0943 -0.0127 0.0407 -0.0384 -0.1043 0.0419 1258. (0.00008) RY (23)Sc 26 s( 17.80%)p 1.67( 29.75%)d 0.98( 17.46%) f 0.42( 7.47%)g 1.55( 27.52%) 1259. (0.00007) RY (24)Sc 26 s( 0.10%)p99.99( 22.57%)d99.99( 54.33%) f37.23( 3.62%)g99.99( 19.38%) 1260. (0.00006) RY (25)Sc 26 s( 1.51%)p 3.81( 5.74%)d33.87( 51.05%) f 4.31( 6.50%)g23.36( 35.21%) 1261. (0.00005) RY (26)Sc 26 s( 1.05%)p11.27( 11.84%)d19.95( 20.97%) f25.00( 26.28%)g37.92( 39.86%) 1262. (0.00004) RY (27)Sc 26 s( 21.65%)p 1.59( 34.43%)d 0.54( 11.67%) f 0.98( 21.18%)g 0.51( 11.07%) 1263. (0.00004) RY (28)Sc 26 s( 0.92%)p55.15( 50.95%)d 8.24( 7.61%) f21.01( 19.41%)g22.84( 21.10%) 1264. (0.00003) RY (29)Sc 26 s( 1.08%)p40.19( 43.32%)d24.22( 26.11%) f13.37( 14.41%)g13.99( 15.08%) 1265. (0.00002) RY (30)Sc 26 s( 1.14%)p13.35( 15.19%)d25.94( 29.53%) f11.13( 12.67%)g36.43( 41.47%) 1266. (0.00002) RY (31)Sc 26 s( 3.54%)p 7.55( 26.74%)d 3.90( 13.81%) f 4.20( 14.87%)g11.59( 41.04%) 1267. (0.00001) RY (32)Sc 26 s( 1.44%)p14.68( 21.06%)d12.13( 17.41%) f18.55( 26.62%)g23.32( 33.47%) 1268. (0.00001) RY (33)Sc 26 s( 1.70%)p26.50( 44.93%)d 6.89( 11.69%) f15.12( 25.64%)g 9.46( 16.05%) 1269. (0.00000) RY (34)Sc 26 s( 0.29%)p60.22( 17.33%)d68.09( 19.60%) f99.99( 42.41%)g70.77( 20.37%) 1270. (0.00000) RY (35)Sc 26 s( 1.40%)p15.86( 22.25%)d18.38( 25.78%) f22.59( 31.69%)g13.46( 18.88%) 1271. (0.00001) RY (36)Sc 26 s( 0.20%)p99.99( 34.95%)d65.33( 12.89%) f99.99( 27.29%)g99.99( 24.67%) 1272. (0.00000) RY (37)Sc 26 s( 0.50%)p 6.99( 3.47%)d38.91( 19.34%) f31.67( 15.74%)g99.99( 60.94%) 1273. (0.00000) RY (38)Sc 26 s( 10.35%)p 1.16( 12.01%)d 0.80( 8.27%) f 2.37( 24.52%)g 4.33( 44.85%) 1274. (0.00000) RY (39)Sc 26 s( 9.20%)p 0.76( 7.00%)d 0.66( 6.08%) f 2.72( 25.03%)g 5.73( 52.69%) 1275. (0.00000) RY (40)Sc 26 s( 7.07%)p 4.13( 29.23%)d 1.80( 12.74%) f 5.88( 41.58%)g 1.33( 9.37%) 1276. (0.00000) RY (41)Sc 26 s( 9.59%)p 2.13( 20.45%)d 2.20( 21.06%) f 3.62( 34.68%)g 1.48( 14.22%) 1277. (0.00000) RY (42)Sc 26 s( 8.13%)p 2.58( 20.95%)d 2.55( 20.75%) f 2.85( 23.17%)g 3.32( 26.99%) 1278. (0.00000) RY (43)Sc 26 s( 0.60%)p21.58( 13.01%)d47.14( 28.42%) f40.76( 24.58%)g55.37( 33.39%) 1279. (0.00000) RY (44)Sc 26 s( 4.53%)p 3.38( 15.32%)d 5.29( 23.99%) f 8.00( 36.28%)g 4.38( 19.88%) 1280. (0.00000) RY (45)Sc 26 s( 99.93%)p 0.00( 0.00%)d 0.00( 0.03%) f 0.00( 0.04%)g 0.00( 0.00%) 1281. (0.00000) RY (46)Sc 26 s( 90.71%)p 0.00( 0.37%)d 0.03( 2.79%) f 0.05( 4.94%)g 0.01( 1.19%) 1282. (0.00000) RY (47)Sc 26 s( 34.95%)p 0.07( 2.53%)d 0.67( 23.47%) f 0.84( 29.51%)g 0.27( 9.55%) 1283. (0.00000) RY (48)Sc 26 s( 18.69%)p 0.07( 1.24%)d 2.73( 51.00%) f 1.30( 24.22%)g 0.26( 4.85%) 1284. (0.00000) RY (49)Sc 26 s( 12.53%)p 0.32( 4.01%)d 3.85( 48.18%) f 2.08( 26.09%)g 0.73( 9.20%) 1285. (0.00000) RY (50)Sc 26 s( 31.98%)p 0.22( 6.94%)d 0.60( 19.03%) f 1.06( 33.95%)g 0.25( 8.11%) 1286. (0.00000) RY (51)Sc 26 s( 17.35%)p 1.01( 17.52%)d 0.29( 5.00%) f 2.75( 47.67%)g 0.72( 12.46%) 1287. (0.00000) RY (52)Sc 26 s( 28.51%)p 0.27( 7.68%)d 0.29( 8.16%) f 1.69( 48.12%)g 0.26( 7.53%) 1288. (0.00000) RY (53)Sc 26 s( 14.27%)p 0.70( 9.97%)d 2.01( 28.71%) f 2.68( 38.19%)g 0.62( 8.85%) 1289. (0.00000) RY (54)Sc 26 s( 1.94%)p 7.68( 14.89%)d10.05( 19.50%) f17.51( 33.96%)g15.32( 29.71%) 1290. (0.00000) RY (55)Sc 26 s( 3.61%)p 1.01( 3.63%)d 8.24( 29.75%) f15.14( 54.64%)g 2.32( 8.38%) 1291. (0.00000) RY (56)Sc 26 s( 0.76%)p 3.77( 2.86%)d60.56( 45.92%) f42.90( 32.53%)g23.66( 17.94%) 1292. (0.00000) RY (57)Sc 26 s( 7.09%)p 0.49( 3.49%)d 3.05( 21.66%) f 6.99( 49.55%)g 2.57( 18.21%) 1293. (0.00000) RY (58)Sc 26 s( 1.51%)p 2.61( 3.93%)d25.09( 37.82%) f26.31( 39.65%)g11.34( 17.09%) 1294. (0.00000) RY (59)Sc 26 s( 5.71%)p 0.67( 3.82%)d 8.93( 51.00%) f 3.29( 18.79%)g 3.62( 20.67%) 1295. (0.00000) RY (60)Sc 26 s( 2.90%)p 1.12( 3.23%)d13.70( 39.65%) f 8.45( 24.46%)g10.28( 29.76%) 1296. (0.00000) RY (61)Sc 26 s( 3.62%)p 4.33( 15.69%)d 7.22( 26.15%) f 7.70( 27.86%)g 7.37( 26.68%) 1297. (0.00000) RY (62)Sc 26 s( 1.95%)p 6.75( 13.15%)d 7.75( 15.11%) f25.20( 49.13%)g10.59( 20.66%) 1298. (0.00000) RY (63)Sc 26 s( 10.31%)p 0.41( 4.26%)d 3.29( 33.94%) f 3.87( 39.91%)g 1.12( 11.58%) 1299. (0.00000) RY (64)Sc 26 s( 0.42%)p 2.19( 0.93%)d62.83( 26.58%) f99.99( 44.01%)g66.34( 28.06%) 1300. (0.00000) RY (65)Sc 26 s( 0.70%)p 7.47( 5.24%)d13.60( 9.54%) f53.45( 37.49%)g67.07( 47.04%) 1301. (0.00000) RY (66)Sc 26 s( 1.51%)p 8.87( 13.36%)d18.30( 27.56%) f21.58( 32.50%)g16.65( 25.06%) 1302. (0.00000) RY (67)Sc 26 s( 6.25%)p 2.97( 18.58%)d 4.96( 31.03%) f 4.17( 26.07%)g 2.89( 18.07%) 1303. (0.00000) RY (68)Sc 26 s( 0.15%)p41.69( 6.18%)d99.99( 32.35%) f99.99( 30.73%)g99.99( 30.59%) 1304. (0.00000) RY (69)Sc 26 s( 2.55%)p 2.42( 6.19%)d13.75( 35.10%) f 4.61( 11.76%)g17.39( 44.40%) 1305. (0.00000) RY (70)Sc 26 s( 25.88%)p 0.48( 12.54%)d 0.85( 22.02%) f 0.87( 22.52%)g 0.66( 17.04%) 1306. (0.00000) RY (71)Sc 26 s( 3.73%)p 3.03( 11.33%)d 6.78( 25.33%) f13.37( 49.91%)g 2.60( 9.69%) 1307. (0.00000) RY (72)Sc 26 s( 6.11%)p 0.83( 5.06%)d 2.31( 14.10%) f 3.79( 23.19%)g 8.43( 51.55%) 1308. (0.00000) RY (73)Sc 26 s( 17.18%)p 0.81( 13.88%)d 1.60( 27.55%) f 0.66( 11.40%)g 1.74( 29.98%) 1309. (0.00000) RY (74)Sc 26 s( 13.39%)p 0.99( 13.25%)d 1.49( 19.94%) f 1.31( 17.53%)g 2.68( 35.89%) 1310. (0.00000) RY (75)Sc 26 s( 5.14%)p 1.61( 8.30%)d 5.54( 28.50%) f 5.95( 30.59%)g 5.34( 27.47%) 1311. (0.00000) RY (76)Sc 26 s( 0.04%)p99.99( 8.91%)d99.99( 36.78%) f99.99( 35.27%)g99.99( 19.00%) 1312. (0.00000) RY (77)Sc 26 s( 0.69%)p 9.37( 6.45%)d23.04( 15.86%) f59.29( 40.80%)g52.60( 36.20%) 1313. (0.00000) RY (78)Sc 26 s( 3.56%)p 1.72( 6.11%)d 2.84( 10.12%) f10.80( 38.43%)g11.74( 41.79%) 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 =============================================================================== 45. LP ( 1) C 2 -- -- 79.0 278.2 -- -- -- -- 46. LP ( 1) C 3 -- -- 84.9 277.1 -- -- -- -- 47. LP ( 1) S 21 -- -- 123.1 278.4 -- -- -- -- 48. LP ( 1) S 22 -- -- 124.5 67.8 -- -- -- -- 49. LP ( 2) S 22 -- -- 112.9 302.3 -- -- -- -- 50. LP ( 1) S 23 -- -- 80.2 292.2 -- -- -- -- 51. LP ( 2) S 23 -- -- 96.8 44.7 -- -- -- -- 52. LP ( 1) S 24 -- -- 73.5 71.9 -- -- -- -- 53. LP ( 2) S 24 -- -- 50.2 311.5 -- -- -- -- 54. LP ( 1) S 25 -- -- 37.9 283.4 -- -- -- -- 55. BD ( 1) C 1- C 2 66.2 179.5 74.6 171.4 11.4 121.8 9.5 11.9 56. BD ( 1) C 1- C 5 42.8 12.8 51.2 20.7 10.1 144.8 181.6 10.4 57. BD ( 1) C 1- H 11 164.1 323.6 165.5 330.7 2.3 -- -- -- 58. BD ( 1) C 2- C 3 10.5 57.4 17.8 95.6 11.5 167.1 179.2 11.5 59. BD ( 1) C 2- H 12 119.3 189.2 119.6 186.7 2.2 -- -- -- 60. BD ( 1) C 3- C 4 78.5 5.5 73.3 16.0 11.5 96.1 175.8 11.0 61. BD ( 1) C 3- H 13 48.3 176.4 48.8 173.6 2.2 -- -- -- 62. BD ( 1) C 4- C 5 149.0 348.3 144.1 4.9 10.3 29.1 147.5 10.5 63. BD ( 1) C 4- H 14 25.4 17.8 26.1 23.0 2.4 -- -- -- 64. BD ( 1) C 5- H 15 95.7 1.1 96.2 3.3 2.2 -- -- -- 65. BD ( 1) C 6- C 7 152.9 145.3 155.8 169.2 10.7 32.9 308.4 10.2 66. BD ( 1) C 6- C 10 45.9 127.9 38.5 139.5 10.7 126.2 299.4 10.3 67. BD ( 1) C 6- H 16 80.8 317.1 80.5 314.5 2.6 -- -- -- 68. BD ( 1) C 7- C 8 81.7 132.3 87.4 141.6 10.8 103.9 302.3 11.3 69. BD ( 1) C 7- H 17 151.9 303.9 151.3 299.5 2.2 -- -- -- 70. BD ( 1) C 8- C 9 11.2 102.5 16.7 147.2 11.7 164.4 233.7 11.7 71. BD ( 1) C 8- H 18 135.4 139.0 135.0 142.2 2.3 -- -- -- 72. BD ( 1) C 9- C 10 62.6 316.3 55.2 305.7 11.7 109.5 145.0 11.2 73. BD ( 1) C 9- H 19 63.8 130.0 63.6 132.6 2.4 -- -- -- 74. BD ( 1) C 10- H 20 10.9 352.0 9.7 340.8 2.3 -- -- -- 75. BD ( 1) S 21- S 22 87.6 29.3 90.4 29.1 2.9 -- -- -- 76. BD ( 1) S 21-Sc 26 47.9 143.9 52.4 138.6 6.1 132.6 329.1 3.9 77. BD ( 2) S 21-Sc 26 47.9 143.9 36.9 307.0 83.6 156.2 58.9 54.0 78. BD ( 1) S 22- S 23 29.1 329.8 26.2 326.1 3.4 147.5 149.1 3.4 79. BD ( 1) S 23- S 24 43.6 129.6 46.8 130.9 3.4 138.2 305.6 3.3 80. BD ( 1) S 24- S 25 77.5 208.9 -- -- -- 99.4 29.2 3.1 81. BD ( 1) S 25-Sc 26 141.0 161.5 138.8 155.7 4.3 40.2 345.6 2.9 82. BD ( 2) S 25-Sc 26 141.0 161.5 126.2 298.2 84.9 39.5 71.7 53.3 SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.25 kcal/mol (Intermolecular threshold: 0.03 kcal/mol) E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 45. LP ( 1) C 2 91. BD*( 1) C 1- C 2 1.35 0.63 0.037 45. LP ( 1) C 2 93. BD*( 1) C 1- H 11 0.38 0.54 0.018 45. LP ( 1) C 2 94. BD*( 1) C 2- C 3 1.21 0.62 0.035 45. LP ( 1) C 2 97. BD*( 1) C 3- H 13 0.48 0.53 0.020 45. LP ( 1) C 2 119. 3C*( 1)C1-C4-C5 13.93 0.20 0.066 45. LP ( 1) C 2 123. RY ( 3) C 1 0.26 1.53 0.025 45. LP ( 1) C 2 124. RY ( 4) C 1 1.57 2.53 0.079 45. LP ( 1) C 2 175. RY ( 3) C 2 1.39 1.32 0.054 45. LP ( 1) C 2 180. RY ( 8) C 2 0.32 2.23 0.034 45. LP ( 1) C 2 184. RY (12) C 2 0.61 2.05 0.045 45. LP ( 1) C 2 193. RY (21) C 2 0.27 7.85 0.058 45. LP ( 1) C 2 210. RY (38) C 2 0.30 4.85 0.048 45. LP ( 1) C 2 227. RY ( 3) C 3 1.55 1.32 0.057 45. LP ( 1) C 2 228. RY ( 4) C 3 0.84 2.98 0.063 45. LP ( 1) C 2 259. RY (35) C 3 0.32 5.67 0.054 45. LP ( 1) C 2 670. RY ( 1) H 12 0.75 2.30 0.052 45. LP ( 1) C 2 673. RY ( 4) H 12 0.38 2.80 0.041 46. LP ( 1) C 3 94. BD*( 1) C 2- C 3 1.19 0.62 0.034 46. LP ( 1) C 3 95. BD*( 1) C 2- H 12 0.43 0.53 0.019 46. LP ( 1) C 3 96. BD*( 1) C 3- C 4 1.09 0.63 0.033 46. LP ( 1) C 3 99. BD*( 1) C 4- H 14 0.34 0.55 0.017 46. LP ( 1) C 3 119. 3C*( 1)C1-C4-C5 14.48 0.20 0.067 46. LP ( 1) C 3 175. RY ( 3) C 2 1.53 1.32 0.057 46. LP ( 1) C 3 176. RY ( 4) C 2 0.89 2.96 0.065 46. LP ( 1) C 3 227. RY ( 3) C 3 1.40 1.32 0.054 46. LP ( 1) C 3 232. RY ( 8) C 3 0.36 2.35 0.037 46. LP ( 1) C 3 235. RY (11) C 3 0.42 2.09 0.037 46. LP ( 1) C 3 259. RY (35) C 3 0.27 5.67 0.049 46. LP ( 1) C 3 280. RY ( 4) C 4 1.69 2.46 0.081 46. LP ( 1) C 3 699. RY ( 1) H 13 0.72 2.34 0.052 46. LP ( 1) C 3 702. RY ( 4) H 13 0.40 2.78 0.042 55. BD ( 1) C 1- C 2 97. BD*( 1) C 3- H 13 1.58 0.94 0.049 55. BD ( 1) C 1- C 2 98. BD*( 1) C 4- C 5 0.25 1.05 0.021 55. BD ( 1) C 1- C 2 100. BD*( 1) C 5- H 15 1.48 0.97 0.048 55. BD ( 1) C 1- C 2 119. 3C*( 1)C1-C4-C5 0.52 0.61 0.022 55. BD ( 1) C 1- C 2 225. RY ( 1) C 3 0.42 2.42 0.040 55. BD ( 1) C 1- C 2 226. RY ( 2) C 3 0.87 2.17 0.055 55. BD ( 1) C 1- C 2 329. RY ( 1) C 5 0.30 2.38 0.033 55. BD ( 1) C 1- C 2 330. RY ( 2) C 5 1.04 2.02 0.058 55. BD ( 1) C 1- C 2 642. RY ( 2) H 11 0.34 3.15 0.041 55. BD ( 1) C 1- C 2 671. RY ( 2) H 12 0.26 3.18 0.037 56. BD ( 1) C 1- C 5 94. BD*( 1) C 2- C 3 0.28 1.03 0.021 56. BD ( 1) C 1- C 5 95. BD*( 1) C 2- H 12 1.72 0.94 0.051 56. BD ( 1) C 1- C 5 96. BD*( 1) C 3- C 4 0.26 1.04 0.021 56. BD ( 1) C 1- C 5 99. BD*( 1) C 4- H 14 1.54 0.95 0.048 56. BD ( 1) C 1- C 5 174. RY ( 2) C 2 1.11 2.16 0.062 56. BD ( 1) C 1- C 5 277. RY ( 1) C 4 0.46 2.29 0.041 56. BD ( 1) C 1- C 5 278. RY ( 2) C 4 0.30 2.27 0.033 56. BD ( 1) C 1- C 5 279. RY ( 3) C 4 0.45 1.96 0.038 56. BD ( 1) C 1- C 5 283. RY ( 7) C 4 0.28 3.15 0.037 56. BD ( 1) C 1- C 5 642. RY ( 2) H 11 0.41 3.15 0.045 56. BD ( 1) C 1- C 5 758. RY ( 2) H 15 0.46 3.45 0.050 56. BD ( 1) C 1- C 5 761. RY ( 5) H 15 0.28 5.11 0.048 57. BD ( 1) C 1- H 11 94. BD*( 1) C 2- C 3 0.86 0.95 0.036 57. BD ( 1) C 1- H 11 98. BD*( 1) C 4- C 5 0.86 0.97 0.036 57. BD ( 1) C 1- H 11 125. RY ( 5) C 1 0.33 2.79 0.038 57. BD ( 1) C 1- H 11 133. RY (13) C 1 0.27 4.76 0.045 57. BD ( 1) C 1- H 11 145. RY (25) C 1 0.25 9.75 0.063 57. BD ( 1) C 1- H 11 173. RY ( 1) C 2 0.80 2.36 0.055 57. BD ( 1) C 1- H 11 178. RY ( 6) C 2 0.31 5.27 0.051 57. BD ( 1) C 1- H 11 181. RY ( 9) C 2 0.31 4.12 0.045 57. BD ( 1) C 1- H 11 329. RY ( 1) C 5 0.76 2.30 0.053 57. BD ( 1) C 1- H 11 335. RY ( 7) C 5 0.37 5.03 0.055 57. BD ( 1) C 1- H 11 337. RY ( 9) C 5 0.26 2.87 0.034 58. BD ( 1) C 2- C 3 93. BD*( 1) C 1- H 11 1.55 0.95 0.048 58. BD ( 1) C 2- C 3 99. BD*( 1) C 4- H 14 1.53 0.96 0.048 58. BD ( 1) C 2- C 3 122. RY ( 2) C 1 0.84 2.36 0.056 58. BD ( 1) C 2- C 3 123. RY ( 3) C 1 0.36 1.94 0.034 58. BD ( 1) C 2- C 3 278. RY ( 2) C 4 0.74 2.28 0.052 58. BD ( 1) C 2- C 3 279. RY ( 3) C 4 0.44 1.97 0.037 59. BD ( 1) C 2- H 12 92. BD*( 1) C 1- C 5 0.81 0.98 0.035 59. BD ( 1) C 2- H 12 96. BD*( 1) C 3- C 4 0.83 0.97 0.036 59. BD ( 1) C 2- H 12 121. RY ( 1) C 1 0.71 2.19 0.050 59. BD ( 1) C 2- H 12 126. RY ( 6) C 1 0.37 5.40 0.057 59. BD ( 1) C 2- H 12 225. RY ( 1) C 3 0.66 2.35 0.050 59. BD ( 1) C 2- H 12 230. RY ( 6) C 3 0.39 5.17 0.057 59. BD ( 1) C 2- H 12 234. RY (10) C 3 0.27 3.09 0.036 60. BD ( 1) C 3- C 4 92. BD*( 1) C 1- C 5 0.26 1.05 0.021 60. BD ( 1) C 3- C 4 95. BD*( 1) C 2- H 12 1.60 0.94 0.049 60. BD ( 1) C 3- C 4 100. BD*( 1) C 5- H 15 1.49 0.97 0.048 60. BD ( 1) C 3- C 4 119. 3C*( 1)C1-C4-C5 0.46 0.61 0.021 60. BD ( 1) C 3- C 4 173. RY ( 1) C 2 0.39 2.44 0.039 60. BD ( 1) C 3- C 4 174. RY ( 2) C 2 0.85 2.17 0.054 60. BD ( 1) C 3- C 4 329. RY ( 1) C 5 0.37 2.38 0.037 60. BD ( 1) C 3- C 4 330. RY ( 2) C 5 0.99 2.02 0.056 60. BD ( 1) C 3- C 4 700. RY ( 2) H 13 0.27 3.19 0.037 60. BD ( 1) C 3- C 4 729. RY ( 2) H 14 0.30 3.28 0.040 61. BD ( 1) C 3- H 13 91. BD*( 1) C 1- C 2 0.83 0.97 0.036 61. BD ( 1) C 3- H 13 98. BD*( 1) C 4- C 5 0.80 0.98 0.035 61. BD ( 1) C 3- H 13 173. RY ( 1) C 2 0.64 2.37 0.049 61. BD ( 1) C 3- H 13 178. RY ( 6) C 2 0.37 5.27 0.056 61. BD ( 1) C 3- H 13 182. RY (10) C 2 0.26 3.07 0.036 61. BD ( 1) C 3- H 13 277. RY ( 1) C 4 0.74 2.22 0.051 61. BD ( 1) C 3- H 13 282. RY ( 6) C 4 0.33 5.20 0.052 61. BD ( 1) C 3- H 13 293. RY (17) C 4 0.26 5.19 0.046 62. BD ( 1) C 4- C 5 91. BD*( 1) C 1- C 2 0.25 1.04 0.021 62. BD ( 1) C 4- C 5 93. BD*( 1) C 1- H 11 1.54 0.95 0.048 62. BD ( 1) C 4- C 5 94. BD*( 1) C 2- C 3 0.28 1.03 0.021 62. BD ( 1) C 4- C 5 97. BD*( 1) C 3- H 13 1.71 0.94 0.050 62. BD ( 1) C 4- C 5 121. RY ( 1) C 1 0.45 2.26 0.040 62. BD ( 1) C 4- C 5 122. RY ( 2) C 1 0.28 2.36 0.032 62. BD ( 1) C 4- C 5 123. RY ( 3) C 1 0.51 1.94 0.040 62. BD ( 1) C 4- C 5 127. RY ( 7) C 1 0.29 2.85 0.036 62. BD ( 1) C 4- C 5 226. RY ( 2) C 3 1.18 2.16 0.064 62. BD ( 1) C 4- C 5 729. RY ( 2) H 14 0.47 3.28 0.049 62. BD ( 1) C 4- C 5 758. RY ( 2) H 15 0.39 3.45 0.046 62. BD ( 1) C 4- C 5 759. RY ( 3) H 15 0.32 3.41 0.042 63. BD ( 1) C 4- H 14 92. BD*( 1) C 1- C 5 0.88 0.97 0.037 63. BD ( 1) C 4- H 14 94. BD*( 1) C 2- C 3 0.86 0.95 0.036 63. BD ( 1) C 4- H 14 225. RY ( 1) C 3 0.80 2.34 0.055 63. BD ( 1) C 4- H 14 229. RY ( 5) C 3 0.27 2.65 0.034 63. BD ( 1) C 4- H 14 230. RY ( 6) C 3 0.28 5.15 0.048 63. BD ( 1) C 4- H 14 233. RY ( 9) C 3 0.33 3.52 0.043 63. BD ( 1) C 4- H 14 281. RY ( 5) C 4 0.33 2.89 0.039 63. BD ( 1) C 4- H 14 300. RY (24) C 4 0.33 8.63 0.068 63. BD ( 1) C 4- H 14 329. RY ( 1) C 5 0.74 2.30 0.052 63. BD ( 1) C 4- H 14 335. RY ( 7) C 5 0.27 5.03 0.046 64. BD ( 1) C 5- H 15 91. BD*( 1) C 1- C 2 0.83 0.96 0.036 64. BD ( 1) C 5- H 15 96. BD*( 1) C 3- C 4 0.86 0.96 0.036 64. BD ( 1) C 5- H 15 121. RY ( 1) C 1 0.53 2.17 0.043 64. BD ( 1) C 5- H 15 122. RY ( 2) C 1 0.34 2.28 0.035 64. BD ( 1) C 5- H 15 126. RY ( 6) C 1 0.35 5.38 0.055 64. BD ( 1) C 5- H 15 131. RY (11) C 1 0.37 3.50 0.045 64. BD ( 1) C 5- H 15 277. RY ( 1) C 4 0.60 2.21 0.046 64. BD ( 1) C 5- H 15 278. RY ( 2) C 4 0.28 2.19 0.032 64. BD ( 1) C 5- H 15 282. RY ( 6) C 4 0.35 5.19 0.053 64. BD ( 1) C 5- H 15 286. RY (10) C 4 0.37 3.99 0.048 64. BD ( 1) C 5- H 15 339. RY (11) C 5 0.40 3.08 0.044 64. BD ( 1) C 5- H 15 341. RY (13) C 5 0.27 5.88 0.050 64. BD ( 1) C 5- H 15 359. RY (31) C 5 0.26 7.59 0.056 83. 3C ( 1)C1-C4-C5 91. BD*( 1) C 1- C 2 0.27 0.80 0.019 83. 3C ( 1)C1-C4-C5 119. 3C*( 1)C1-C4-C5 0.66 0.36 0.019 85. 3Cn( 1)C1-C4-C5 91. BD*( 1) C 1- C 2 0.67 0.62 0.026 85. 3Cn( 1)C1-C4-C5 92. BD*( 1) C 1- C 5 0.45 0.62 0.021 85. 3Cn( 1)C1-C4-C5 96. BD*( 1) C 3- C 4 0.59 0.62 0.024 85. 3Cn( 1)C1-C4-C5 98. BD*( 1) C 4- C 5 0.46 0.62 0.021 85. 3Cn( 1)C1-C4-C5 122. RY ( 2) C 1 1.23 1.94 0.062 85. 3Cn( 1)C1-C4-C5 123. RY ( 3) C 1 0.55 1.52 0.036 85. 3Cn( 1)C1-C4-C5 128. RY ( 8) C 1 0.34 3.23 0.042 85. 3Cn( 1)C1-C4-C5 175. RY ( 3) C 2 1.06 1.31 0.047 85. 3Cn( 1)C1-C4-C5 227. RY ( 3) C 3 1.08 1.31 0.047 85. 3Cn( 1)C1-C4-C5 278. RY ( 2) C 4 1.31 1.85 0.062 85. 3Cn( 1)C1-C4-C5 279. RY ( 3) C 4 0.59 1.54 0.038 85. 3Cn( 1)C1-C4-C5 285. RY ( 9) C 4 0.30 3.33 0.040 85. 3Cn( 1)C1-C4-C5 288. RY (12) C 4 0.25 3.36 0.037 85. 3Cn( 1)C1-C4-C5 300. RY (24) C 4 0.25 8.28 0.058 85. 3Cn( 1)C1-C4-C5 332. RY ( 4) C 5 1.85 2.69 0.089 85. 3Cn( 1)C1-C4-C5 343. RY (15) C 5 0.32 4.26 0.047 85. 3Cn( 1)C1-C4-C5 344. RY (16) C 5 0.31 3.77 0.043 85. 3Cn( 1)C1-C4-C5 644. RY ( 4) H 11 0.30 3.08 0.038 from unit 1 to unit 2 45. LP ( 1) C 2 120. 3C*( 1)C6-C7-C10 0.04 0.19 0.003 45. LP ( 1) C 2 383. RY ( 3) C 6 0.03 1.44 0.008 46. LP ( 1) C 3 120. 3C*( 1)C6-C7-C10 0.03 0.19 0.003 46. LP ( 1) C 3 383. RY ( 3) C 6 0.03 1.44 0.008 55. BD ( 1) C 1- C 2 120. 3C*( 1)C6-C7-C10 0.05 0.60 0.007 58. BD ( 1) C 2- C 3 120. 3C*( 1)C6-C7-C10 0.07 0.60 0.008 59. BD ( 1) C 2- H 12 87. LV ( 1) C 8 0.09 0.34 0.007 59. BD ( 1) C 2- H 12 120. 3C*( 1)C6-C7-C10 0.03 0.53 0.005 60. BD ( 1) C 3- C 4 120. 3C*( 1)C6-C7-C10 0.03 0.60 0.005 61. BD ( 1) C 3- H 13 88. LV ( 1) C 9 0.05 0.34 0.005 85. 3Cn( 1)C1-C4-C5 87. LV ( 1) C 8 0.06 0.02 0.001 from unit 1 to unit 3 45. LP ( 1) C 2 89. LV ( 1)Sc 26 2.24 0.18 0.026 45. LP ( 1) C 2 90. LV ( 2)Sc 26 0.23 0.38 0.012 45. LP ( 1) C 2 112. BD*( 1) S 21-Sc 26 0.09 0.28 0.006 45. LP ( 1) C 2 113. BD*( 2) S 21-Sc 26 1.45 0.29 0.026 45. LP ( 1) C 2 117. BD*( 1) S 25-Sc 26 7.69 0.28 0.058 45. LP ( 1) C 2 118. BD*( 2) S 25-Sc 26 4.46 0.29 0.045 45. LP ( 1) C 2 1179. RY ( 5) S 25 0.03 1.51 0.009 45. LP ( 1) C 2 1236. RY ( 1)Sc 26 0.36 0.43 0.016 45. LP ( 1) C 2 1240. RY ( 5)Sc 26 0.06 0.47 0.006 45. LP ( 1) C 2 1242. RY ( 7)Sc 26 0.06 1.23 0.011 45. LP ( 1) C 2 1247. RY (12)Sc 26 0.12 1.87 0.019 45. LP ( 1) C 2 1250. RY (15)Sc 26 0.10 2.34 0.019 45. LP ( 1) C 2 1252. RY (17)Sc 26 0.04 2.35 0.012 45. LP ( 1) C 2 1254. RY (19)Sc 26 0.04 2.49 0.013 45. LP ( 1) C 2 1255. RY (20)Sc 26 0.03 2.15 0.009 45. LP ( 1) C 2 1256. RY (21)Sc 26 0.03 1.59 0.008 45. LP ( 1) C 2 1258. RY (23)Sc 26 0.06 2.20 0.014 45. LP ( 1) C 2 1265. RY (30)Sc 26 0.09 2.23 0.018 45. LP ( 1) C 2 1280. RY (45)Sc 26 0.03 213.08 0.092 45. LP ( 1) C 2 1281. RY (46)Sc 26 0.07 288.37 0.178 45. LP ( 1) C 2 1286. RY (51)Sc 26 0.10 15.10 0.048 45. LP ( 1) C 2 1294. RY (59)Sc 26 0.04 4.90 0.018 45. LP ( 1) C 2 1298. RY (63)Sc 26 0.03 6.88 0.019 45. LP ( 1) C 2 1302. RY (67)Sc 26 0.03 3.80 0.013 45. LP ( 1) C 2 1308. RY (73)Sc 26 0.06 3.19 0.017 45. LP ( 1) C 2 1309. RY (74)Sc 26 0.03 3.75 0.012 45. LP ( 1) C 2 1312. RY (77)Sc 26 0.03 3.41 0.013 46. LP ( 1) C 3 89. LV ( 1)Sc 26 3.68 0.18 0.033 46. LP ( 1) C 3 90. LV ( 2)Sc 26 0.32 0.38 0.014 46. LP ( 1) C 3 112. BD*( 1) S 21-Sc 26 9.52 0.28 0.065 46. LP ( 1) C 3 113. BD*( 2) S 21-Sc 26 3.60 0.29 0.041 46. LP ( 1) C 3 117. BD*( 1) S 25-Sc 26 0.35 0.28 0.012 46. LP ( 1) C 3 118. BD*( 2) S 25-Sc 26 0.16 0.29 0.009 46. LP ( 1) C 3 935. RY ( 5) S 21 0.03 1.56 0.009 46. LP ( 1) C 3 1236. RY ( 1)Sc 26 0.52 0.43 0.019 46. LP ( 1) C 3 1240. RY ( 5)Sc 26 0.10 0.47 0.009 46. LP ( 1) C 3 1242. RY ( 7)Sc 26 0.03 1.23 0.007 46. LP ( 1) C 3 1247. RY (12)Sc 26 0.12 1.87 0.019 46. LP ( 1) C 3 1250. RY (15)Sc 26 0.08 2.34 0.018 46. LP ( 1) C 3 1251. RY (16)Sc 26 0.06 2.35 0.015 46. LP ( 1) C 3 1257. RY (22)Sc 26 0.04 3.54 0.014 46. LP ( 1) C 3 1258. RY (23)Sc 26 0.08 2.20 0.016 46. LP ( 1) C 3 1265. RY (30)Sc 26 0.05 2.23 0.014 46. LP ( 1) C 3 1271. RY (36)Sc 26 0.05 2.54 0.015 46. LP ( 1) C 3 1281. RY (46)Sc 26 0.07 288.37 0.173 46. LP ( 1) C 3 1283. RY (48)Sc 26 0.04 19.12 0.033 46. LP ( 1) C 3 1286. RY (51)Sc 26 0.09 15.10 0.046 46. LP ( 1) C 3 1294. RY (59)Sc 26 0.03 4.90 0.015 46. LP ( 1) C 3 1298. RY (63)Sc 26 0.07 6.88 0.027 46. LP ( 1) C 3 1308. RY (73)Sc 26 0.03 3.19 0.012 46. LP ( 1) C 3 1309. RY (74)Sc 26 0.03 3.75 0.014 46. LP ( 1) C 3 1313. RY (78)Sc 26 0.04 3.66 0.016 55. BD ( 1) C 1- C 2 89. LV ( 1)Sc 26 3.91 0.60 0.061 55. BD ( 1) C 1- C 2 90. LV ( 2)Sc 26 2.86 0.79 0.060 55. BD ( 1) C 1- C 2 113. BD*( 2) S 21-Sc 26 0.06 0.70 0.008 55. BD ( 1) C 1- C 2 117. BD*( 1) S 25-Sc 26 0.53 0.69 0.024 55. BD ( 1) C 1- C 2 118. BD*( 2) S 25-Sc 26 3.43 0.70 0.062 55. BD ( 1) C 1- C 2 1236. RY ( 1)Sc 26 0.19 0.84 0.016 55. BD ( 1) C 1- C 2 1237. RY ( 2)Sc 26 0.21 0.93 0.018 55. BD ( 1) C 1- C 2 1239. RY ( 4)Sc 26 1.69 0.87 0.048 55. BD ( 1) C 1- C 2 1240. RY ( 5)Sc 26 0.04 0.88 0.007 55. BD ( 1) C 1- C 2 1241. RY ( 6)Sc 26 0.18 1.68 0.022 55. BD ( 1) C 1- C 2 1245. RY (10)Sc 26 0.03 2.33 0.011 55. BD ( 1) C 1- C 2 1250. RY (15)Sc 26 0.05 2.75 0.015 55. BD ( 1) C 1- C 2 1259. RY (24)Sc 26 0.03 3.63 0.013 55. BD ( 1) C 1- C 2 1269. RY (34)Sc 26 0.04 3.16 0.014 56. BD ( 1) C 1- C 5 89. LV ( 1)Sc 26 0.97 0.59 0.030 56. BD ( 1) C 1- C 5 90. LV ( 2)Sc 26 7.38 0.79 0.096 56. BD ( 1) C 1- C 5 112. BD*( 1) S 21-Sc 26 0.20 0.68 0.015 56. BD ( 1) C 1- C 5 113. BD*( 2) S 21-Sc 26 0.53 0.69 0.024 56. BD ( 1) C 1- C 5 117. BD*( 1) S 25-Sc 26 0.08 0.68 0.010 56. BD ( 1) C 1- C 5 118. BD*( 2) S 25-Sc 26 1.00 0.69 0.033 56. BD ( 1) C 1- C 5 1236. RY ( 1)Sc 26 0.11 0.83 0.012 56. BD ( 1) C 1- C 5 1237. RY ( 2)Sc 26 0.09 0.92 0.012 56. BD ( 1) C 1- C 5 1238. RY ( 3)Sc 26 0.88 0.84 0.034 56. BD ( 1) C 1- C 5 1239. RY ( 4)Sc 26 1.31 0.86 0.042 56. BD ( 1) C 1- C 5 1240. RY ( 5)Sc 26 0.04 0.87 0.008 56. BD ( 1) C 1- C 5 1241. RY ( 6)Sc 26 0.10 1.67 0.016 56. BD ( 1) C 1- C 5 1245. RY (10)Sc 26 0.03 2.32 0.011 56. BD ( 1) C 1- C 5 1250. RY (15)Sc 26 0.03 2.75 0.011 56. BD ( 1) C 1- C 5 1253. RY (18)Sc 26 0.03 2.75 0.011 56. BD ( 1) C 1- C 5 1255. RY (20)Sc 26 0.04 2.56 0.012 56. BD ( 1) C 1- C 5 1264. RY (29)Sc 26 0.04 2.70 0.012 56. BD ( 1) C 1- C 5 1269. RY (34)Sc 26 0.03 3.15 0.012 56. BD ( 1) C 1- C 5 1286. RY (51)Sc 26 0.03 15.51 0.029 56. BD ( 1) C 1- C 5 1294. RY (59)Sc 26 0.04 5.31 0.018 56. BD ( 1) C 1- C 5 1298. RY (63)Sc 26 0.03 7.28 0.018 56. BD ( 1) C 1- C 5 1305. RY (70)Sc 26 0.03 3.36 0.013 57. BD ( 1) C 1- H 11 89. LV ( 1)Sc 26 0.58 0.52 0.022 57. BD ( 1) C 1- H 11 90. LV ( 2)Sc 26 1.25 0.71 0.038 57. BD ( 1) C 1- H 11 113. BD*( 2) S 21-Sc 26 2.35 0.62 0.048 57. BD ( 1) C 1- H 11 116. BD*( 1) S 24- S 25 0.04 0.55 0.006 57. BD ( 1) C 1- H 11 117. BD*( 1) S 25-Sc 26 0.30 0.61 0.017 57. BD ( 1) C 1- H 11 118. BD*( 2) S 25-Sc 26 0.83 0.62 0.029 57. BD ( 1) C 1- H 11 1236. RY ( 1)Sc 26 0.17 0.76 0.014 57. BD ( 1) C 1- H 11 1237. RY ( 2)Sc 26 0.28 0.85 0.020 57. BD ( 1) C 1- H 11 1238. RY ( 3)Sc 26 0.03 0.76 0.006 57. BD ( 1) C 1- H 11 1239. RY ( 4)Sc 26 0.30 0.79 0.019 57. BD ( 1) C 1- H 11 1240. RY ( 5)Sc 26 0.15 0.80 0.014 57. BD ( 1) C 1- H 11 1241. RY ( 6)Sc 26 0.21 1.60 0.023 57. BD ( 1) C 1- H 11 1246. RY (11)Sc 26 0.04 1.95 0.011 57. BD ( 1) C 1- H 11 1255. RY (20)Sc 26 0.04 2.49 0.013 57. BD ( 1) C 1- H 11 1264. RY (29)Sc 26 0.03 2.62 0.012 57. BD ( 1) C 1- H 11 1286. RY (51)Sc 26 0.03 15.43 0.029 57. BD ( 1) C 1- H 11 1298. RY (63)Sc 26 0.04 7.21 0.022 58. BD ( 1) C 2- C 3 89. LV ( 1)Sc 26 4.57 0.59 0.066 58. BD ( 1) C 2- C 3 90. LV ( 2)Sc 26 1.33 0.79 0.041 58. BD ( 1) C 2- C 3 112. BD*( 1) S 21-Sc 26 0.33 0.69 0.019 58. BD ( 1) C 2- C 3 113. BD*( 2) S 21-Sc 26 2.95 0.70 0.057 58. BD ( 1) C 2- C 3 117. BD*( 1) S 25-Sc 26 0.20 0.69 0.015 58. BD ( 1) C 2- C 3 118. BD*( 2) S 25-Sc 26 1.95 0.70 0.047 58. BD ( 1) C 2- C 3 1238. RY ( 3)Sc 26 0.24 0.84 0.018 58. BD ( 1) C 2- C 3 1239. RY ( 4)Sc 26 1.86 0.86 0.051 58. BD ( 1) C 2- C 3 1240. RY ( 5)Sc 26 0.26 0.88 0.019 58. BD ( 1) C 2- C 3 1245. RY (10)Sc 26 0.03 2.32 0.010 58. BD ( 1) C 2- C 3 1247. RY (12)Sc 26 0.07 2.28 0.016 58. BD ( 1) C 2- C 3 1248. RY (13)Sc 26 0.07 2.40 0.017 58. BD ( 1) C 2- C 3 1259. RY (24)Sc 26 0.03 3.63 0.013 58. BD ( 1) C 2- C 3 1268. RY (33)Sc 26 0.05 3.17 0.016 58. BD ( 1) C 2- C 3 1273. RY (38)Sc 26 0.04 4.38 0.016 58. BD ( 1) C 2- C 3 1301. RY (66)Sc 26 0.03 3.50 0.013 59. BD ( 1) C 2- H 12 89. LV ( 1)Sc 26 0.57 0.53 0.022 59. BD ( 1) C 2- H 12 90. LV ( 2)Sc 26 0.13 0.72 0.012 59. BD ( 1) C 2- H 12 112. BD*( 1) S 21-Sc 26 0.05 0.62 0.007 59. BD ( 1) C 2- H 12 113. BD*( 2) S 21-Sc 26 0.40 0.63 0.020 59. BD ( 1) C 2- H 12 117. BD*( 1) S 25-Sc 26 2.33 0.62 0.048 59. BD ( 1) C 2- H 12 118. BD*( 2) S 25-Sc 26 1.99 0.63 0.045 59. BD ( 1) C 2- H 12 1236. RY ( 1)Sc 26 0.34 0.77 0.021 59. BD ( 1) C 2- H 12 1237. RY ( 2)Sc 26 0.06 0.86 0.009 59. BD ( 1) C 2- H 12 1238. RY ( 3)Sc 26 0.31 0.77 0.019 59. BD ( 1) C 2- H 12 1239. RY ( 4)Sc 26 0.26 0.80 0.018 59. BD ( 1) C 2- H 12 1240. RY ( 5)Sc 26 0.19 0.81 0.016 59. BD ( 1) C 2- H 12 1247. RY (12)Sc 26 0.03 2.22 0.011 59. BD ( 1) C 2- H 12 1250. RY (15)Sc 26 0.06 2.69 0.016 59. BD ( 1) C 2- H 12 1256. RY (21)Sc 26 0.03 1.94 0.009 59. BD ( 1) C 2- H 12 1257. RY (22)Sc 26 0.04 3.88 0.015 59. BD ( 1) C 2- H 12 1265. RY (30)Sc 26 0.04 2.58 0.013 59. BD ( 1) C 2- H 12 1281. RY (46)Sc 26 0.03 288.71 0.110 59. BD ( 1) C 2- H 12 1286. RY (51)Sc 26 0.05 15.44 0.035 59. BD ( 1) C 2- H 12 1294. RY (59)Sc 26 0.04 5.25 0.019 59. BD ( 1) C 2- H 12 1308. RY (73)Sc 26 0.03 3.54 0.013 60. BD ( 1) C 3- C 4 89. LV ( 1)Sc 26 3.41 0.59 0.057 60. BD ( 1) C 3- C 4 90. LV ( 2)Sc 26 3.55 0.79 0.067 60. BD ( 1) C 3- C 4 111. BD*( 1) S 21- S 22 0.03 0.63 0.005 60. BD ( 1) C 3- C 4 112. BD*( 1) S 21-Sc 26 0.33 0.69 0.019 60. BD ( 1) C 3- C 4 113. BD*( 2) S 21-Sc 26 3.24 0.70 0.060 60. BD ( 1) C 3- C 4 117. BD*( 1) S 25-Sc 26 0.05 0.69 0.007 60. BD ( 1) C 3- C 4 118. BD*( 2) S 25-Sc 26 0.32 0.70 0.019 60. BD ( 1) C 3- C 4 1236. RY ( 1)Sc 26 0.26 0.84 0.019 60. BD ( 1) C 3- C 4 1237. RY ( 2)Sc 26 0.26 0.93 0.020 60. BD ( 1) C 3- C 4 1238. RY ( 3)Sc 26 0.04 0.84 0.007 60. BD ( 1) C 3- C 4 1239. RY ( 4)Sc 26 1.53 0.87 0.046 60. BD ( 1) C 3- C 4 1241. RY ( 6)Sc 26 0.22 1.68 0.024 60. BD ( 1) C 3- C 4 1252. RY (17)Sc 26 0.03 2.77 0.011 60. BD ( 1) C 3- C 4 1259. RY (24)Sc 26 0.04 3.63 0.016 60. BD ( 1) C 3- C 4 1268. RY (33)Sc 26 0.03 3.17 0.013 60. BD ( 1) C 3- C 4 1296. RY (61)Sc 26 0.03 3.55 0.012 60. BD ( 1) C 3- C 4 1313. RY (78)Sc 26 0.03 4.08 0.014 61. BD ( 1) C 3- H 13 89. LV ( 1)Sc 26 0.78 0.52 0.026 61. BD ( 1) C 3- H 13 90. LV ( 2)Sc 26 0.19 0.72 0.015 61. BD ( 1) C 3- H 13 112. BD*( 1) S 21-Sc 26 2.66 0.62 0.051 61. BD ( 1) C 3- H 13 113. BD*( 2) S 21-Sc 26 1.81 0.63 0.043 61. BD ( 1) C 3- H 13 1236. RY ( 1)Sc 26 0.55 0.77 0.026 61. BD ( 1) C 3- H 13 1237. RY ( 2)Sc 26 0.15 0.86 0.014 61. BD ( 1) C 3- H 13 1238. RY ( 3)Sc 26 0.23 0.77 0.017 61. BD ( 1) C 3- H 13 1239. RY ( 4)Sc 26 0.24 0.80 0.017 61. BD ( 1) C 3- H 13 1240. RY ( 5)Sc 26 0.06 0.81 0.008 61. BD ( 1) C 3- H 13 1241. RY ( 6)Sc 26 0.06 1.61 0.012 61. BD ( 1) C 3- H 13 1247. RY (12)Sc 26 0.03 2.22 0.010 61. BD ( 1) C 3- H 13 1250. RY (15)Sc 26 0.06 2.68 0.016 61. BD ( 1) C 3- H 13 1257. RY (22)Sc 26 0.05 3.88 0.017 61. BD ( 1) C 3- H 13 1281. RY (46)Sc 26 0.03 288.71 0.110 61. BD ( 1) C 3- H 13 1286. RY (51)Sc 26 0.04 15.44 0.030 61. BD ( 1) C 3- H 13 1298. RY (63)Sc 26 0.04 7.22 0.021 61. BD ( 1) C 3- H 13 1313. RY (78)Sc 26 0.04 4.01 0.015 62. BD ( 1) C 4- C 5 89. LV ( 1)Sc 26 0.65 0.59 0.025 62. BD ( 1) C 4- C 5 90. LV ( 2)Sc 26 7.96 0.79 0.100 62. BD ( 1) C 4- C 5 112. BD*( 1) S 21-Sc 26 0.16 0.69 0.013 62. BD ( 1) C 4- C 5 113. BD*( 2) S 21-Sc 26 0.57 0.69 0.025 62. BD ( 1) C 4- C 5 117. BD*( 1) S 25-Sc 26 0.23 0.69 0.016 62. BD ( 1) C 4- C 5 118. BD*( 2) S 25-Sc 26 0.31 0.69 0.018 62. BD ( 1) C 4- C 5 1236. RY ( 1)Sc 26 0.08 0.84 0.011 62. BD ( 1) C 4- C 5 1237. RY ( 2)Sc 26 0.03 0.92 0.006 62. BD ( 1) C 4- C 5 1238. RY ( 3)Sc 26 1.07 0.84 0.038 62. BD ( 1) C 4- C 5 1239. RY ( 4)Sc 26 1.23 0.86 0.041 62. BD ( 1) C 4- C 5 1240. RY ( 5)Sc 26 0.07 0.87 0.010 62. BD ( 1) C 4- C 5 1241. RY ( 6)Sc 26 0.10 1.67 0.016 62. BD ( 1) C 4- C 5 1245. RY (10)Sc 26 0.03 2.32 0.010 62. BD ( 1) C 4- C 5 1255. RY (20)Sc 26 0.04 2.56 0.012 62. BD ( 1) C 4- C 5 1276. RY (41)Sc 26 0.03 3.60 0.012 62. BD ( 1) C 4- C 5 1281. RY (46)Sc 26 0.03 288.78 0.110 62. BD ( 1) C 4- C 5 1286. RY (51)Sc 26 0.03 15.51 0.028 62. BD ( 1) C 4- C 5 1294. RY (59)Sc 26 0.06 5.31 0.022 62. BD ( 1) C 4- C 5 1305. RY (70)Sc 26 0.05 3.36 0.016 62. BD ( 1) C 4- C 5 1313. RY (78)Sc 26 0.03 4.07 0.014 63. BD ( 1) C 4- H 14 89. LV ( 1)Sc 26 0.20 0.51 0.013 63. BD ( 1) C 4- H 14 90. LV ( 2)Sc 26 1.70 0.71 0.044 63. BD ( 1) C 4- H 14 111. BD*( 1) S 21- S 22 0.03 0.55 0.006 63. BD ( 1) C 4- H 14 112. BD*( 1) S 21-Sc 26 0.04 0.61 0.006 63. BD ( 1) C 4- H 14 113. BD*( 2) S 21-Sc 26 0.75 0.62 0.027 63. BD ( 1) C 4- H 14 117. BD*( 1) S 25-Sc 26 0.03 0.61 0.006 63. BD ( 1) C 4- H 14 118. BD*( 2) S 25-Sc 26 2.43 0.62 0.049 63. BD ( 1) C 4- H 14 1236. RY ( 1)Sc 26 0.07 0.76 0.009 63. BD ( 1) C 4- H 14 1237. RY ( 2)Sc 26 0.24 0.85 0.018 63. BD ( 1) C 4- H 14 1238. RY ( 3)Sc 26 0.16 0.76 0.014 63. BD ( 1) C 4- H 14 1239. RY ( 4)Sc 26 0.20 0.78 0.016 63. BD ( 1) C 4- H 14 1240. RY ( 5)Sc 26 0.18 0.80 0.015 63. BD ( 1) C 4- H 14 1241. RY ( 6)Sc 26 0.19 1.60 0.022 63. BD ( 1) C 4- H 14 1246. RY (11)Sc 26 0.03 1.94 0.009 63. BD ( 1) C 4- H 14 1255. RY (20)Sc 26 0.03 2.49 0.010 63. BD ( 1) C 4- H 14 1261. RY (26)Sc 26 0.04 2.37 0.012 63. BD ( 1) C 4- H 14 1265. RY (30)Sc 26 0.05 2.56 0.014 63. BD ( 1) C 4- H 14 1266. RY (31)Sc 26 0.03 2.85 0.011 63. BD ( 1) C 4- H 14 1286. RY (51)Sc 26 0.04 15.43 0.031 63. BD ( 1) C 4- H 14 1313. RY (78)Sc 26 0.03 3.99 0.013 64. BD ( 1) C 5- H 15 89. LV ( 1)Sc 26 0.71 0.51 0.024 64. BD ( 1) C 5- H 15 90. LV ( 2)Sc 26 3.56 0.70 0.063 64. BD ( 1) C 5- H 15 113. BD*( 2) S 21-Sc 26 0.07 0.61 0.008 64. BD ( 1) C 5- H 15 117. BD*( 1) S 25-Sc 26 0.06 0.60 0.008 64. BD ( 1) C 5- H 15 1238. RY ( 3)Sc 26 0.95 0.76 0.034 64. BD ( 1) C 5- H 15 1239. RY ( 4)Sc 26 0.05 0.78 0.008 64. BD ( 1) C 5- H 15 1258. RY (23)Sc 26 0.05 2.52 0.014 64. BD ( 1) C 5- H 15 1264. RY (29)Sc 26 0.03 2.62 0.010 64. BD ( 1) C 5- H 15 1274. RY (39)Sc 26 0.04 4.05 0.016 64. BD ( 1) C 5- H 15 1281. RY (46)Sc 26 0.03 288.69 0.126 64. BD ( 1) C 5- H 15 1286. RY (51)Sc 26 0.05 15.42 0.034 64. BD ( 1) C 5- H 15 1294. RY (59)Sc 26 0.08 5.23 0.025 64. BD ( 1) C 5- H 15 1298. RY (63)Sc 26 0.03 7.20 0.018 83. 3C ( 1)C1-C4-C5 90. LV ( 2)Sc 26 10.93 0.55 0.097 83. 3C ( 1)C1-C4-C5 112. BD*( 1) S 21-Sc 26 0.04 0.44 0.006 83. 3C ( 1)C1-C4-C5 113. BD*( 2) S 21-Sc 26 0.20 0.45 0.012 83. 3C ( 1)C1-C4-C5 116. BD*( 1) S 24- S 25 0.03 0.38 0.004 83. 3C ( 1)C1-C4-C5 118. BD*( 2) S 25-Sc 26 0.03 0.45 0.004 83. 3C ( 1)C1-C4-C5 1238. RY ( 3)Sc 26 0.04 0.60 0.006 83. 3C ( 1)C1-C4-C5 1240. RY ( 5)Sc 26 0.10 0.63 0.010 83. 3C ( 1)C1-C4-C5 1244. RY ( 9)Sc 26 0.04 2.07 0.012 83. 3C ( 1)C1-C4-C5 1245. RY (10)Sc 26 0.09 2.08 0.017 83. 3C ( 1)C1-C4-C5 1246. RY (11)Sc 26 0.09 1.78 0.016 83. 3C ( 1)C1-C4-C5 1247. RY (12)Sc 26 0.12 2.04 0.020 83. 3C ( 1)C1-C4-C5 1253. RY (18)Sc 26 0.07 2.51 0.017 83. 3C ( 1)C1-C4-C5 1255. RY (20)Sc 26 0.06 2.32 0.015 83. 3C ( 1)C1-C4-C5 1257. RY (22)Sc 26 0.05 3.71 0.018 83. 3C ( 1)C1-C4-C5 1274. RY (39)Sc 26 0.03 3.89 0.013 83. 3C ( 1)C1-C4-C5 1277. RY (42)Sc 26 0.07 3.06 0.019 83. 3C ( 1)C1-C4-C5 1279. RY (44)Sc 26 0.03 3.09 0.011 83. 3C ( 1)C1-C4-C5 1280. RY (45)Sc 26 0.04 213.24 0.121 83. 3C ( 1)C1-C4-C5 1281. RY (46)Sc 26 0.11 288.54 0.229 83. 3C ( 1)C1-C4-C5 1283. RY (48)Sc 26 0.05 19.29 0.041 83. 3C ( 1)C1-C4-C5 1286. RY (51)Sc 26 0.14 15.27 0.059 83. 3C ( 1)C1-C4-C5 1294. RY (59)Sc 26 0.03 5.07 0.016 83. 3C ( 1)C1-C4-C5 1298. RY (63)Sc 26 0.05 7.05 0.024 83. 3C ( 1)C1-C4-C5 1302. RY (67)Sc 26 0.04 3.97 0.016 83. 3C ( 1)C1-C4-C5 1304. RY (69)Sc 26 0.04 3.48 0.014 83. 3C ( 1)C1-C4-C5 1308. RY (73)Sc 26 0.04 3.36 0.015 83. 3C ( 1)C1-C4-C5 1309. RY (74)Sc 26 0.06 3.92 0.020 83. 3C ( 1)C1-C4-C5 1310. RY (75)Sc 26 0.03 3.09 0.011 85. 3Cn( 1)C1-C4-C5 89. LV ( 1)Sc 26 0.33 0.17 0.009 85. 3Cn( 1)C1-C4-C5 90. LV ( 2)Sc 26 0.05 0.36 0.005 85. 3Cn( 1)C1-C4-C5 111. BD*( 1) S 21- S 22 0.07 0.20 0.005 85. 3Cn( 1)C1-C4-C5 112. BD*( 1) S 21-Sc 26 0.03 0.26 0.004 85. 3Cn( 1)C1-C4-C5 113. BD*( 2) S 21-Sc 26 7.77 0.27 0.058 85. 3Cn( 1)C1-C4-C5 116. BD*( 1) S 24- S 25 0.08 0.20 0.005 85. 3Cn( 1)C1-C4-C5 117. BD*( 1) S 25-Sc 26 0.09 0.26 0.006 85. 3Cn( 1)C1-C4-C5 118. BD*( 2) S 25-Sc 26 7.38 0.27 0.057 85. 3Cn( 1)C1-C4-C5 1236. RY ( 1)Sc 26 0.07 0.41 0.007 85. 3Cn( 1)C1-C4-C5 1237. RY ( 2)Sc 26 0.06 0.50 0.007 85. 3Cn( 1)C1-C4-C5 1241. RY ( 6)Sc 26 0.17 1.25 0.019 85. 3Cn( 1)C1-C4-C5 1243. RY ( 8)Sc 26 0.14 1.77 0.020 85. 3Cn( 1)C1-C4-C5 1250. RY (15)Sc 26 0.08 2.33 0.018 85. 3Cn( 1)C1-C4-C5 1252. RY (17)Sc 26 0.06 2.34 0.015 85. 3Cn( 1)C1-C4-C5 1256. RY (21)Sc 26 0.07 1.58 0.013 85. 3Cn( 1)C1-C4-C5 1265. RY (30)Sc 26 0.07 2.22 0.016 85. 3Cn( 1)C1-C4-C5 1278. RY (43)Sc 26 0.03 2.37 0.010 85. 3Cn( 1)C1-C4-C5 1291. RY (56)Sc 26 0.03 3.46 0.013 from unit 2 to unit 1 70. BD ( 1) C 8- C 9 119. 3C*( 1)C1-C4-C5 0.07 0.61 0.008 72. BD ( 1) C 9- C 10 119. 3C*( 1)C1-C4-C5 0.05 0.61 0.007 73. BD ( 1) C 9- H 19 119. 3C*( 1)C1-C4-C5 0.03 0.54 0.005 within unit 2 65. BD ( 1) C 6- C 7 106. BD*( 1) C 8- C 9 0.27 1.03 0.021 65. BD ( 1) C 6- C 7 107. BD*( 1) C 8- H 18 1.65 0.94 0.050 65. BD ( 1) C 6- C 7 110. BD*( 1) C 10- H 20 1.55 0.95 0.049 65. BD ( 1) C 6- C 7 486. RY ( 2) C 8 1.07 2.13 0.060 65. BD ( 1) C 6- C 7 589. RY ( 1) C 10 0.33 2.33 0.035 65. BD ( 1) C 6- C 7 590. RY ( 2) C 10 0.39 2.18 0.037 65. BD ( 1) C 6- C 7 591. RY ( 3) C 10 0.54 2.03 0.042 65. BD ( 1) C 6- C 7 787. RY ( 2) H 16 0.42 3.32 0.047 65. BD ( 1) C 6- C 7 816. RY ( 2) H 17 0.41 3.68 0.049 66. BD ( 1) C 6- C 10 104. BD*( 1) C 7- C 8 0.26 1.04 0.021 66. BD ( 1) C 6- C 10 105. BD*( 1) C 7- H 17 1.55 0.95 0.048 66. BD ( 1) C 6- C 10 106. BD*( 1) C 8- C 9 0.27 1.03 0.021 66. BD ( 1) C 6- C 10 109. BD*( 1) C 9- H 19 1.67 0.94 0.050 66. BD ( 1) C 6- C 10 433. RY ( 1) C 7 0.36 2.35 0.037 66. BD ( 1) C 6- C 10 434. RY ( 2) C 7 0.42 2.17 0.038 66. BD ( 1) C 6- C 10 435. RY ( 3) C 7 0.47 2.03 0.039 66. BD ( 1) C 6- C 10 538. RY ( 2) C 9 1.04 2.13 0.059 66. BD ( 1) C 6- C 10 543. RY ( 7) C 9 0.25 3.71 0.039 66. BD ( 1) C 6- C 10 787. RY ( 2) H 16 0.40 3.32 0.046 66. BD ( 1) C 6- C 10 903. RY ( 2) H 20 0.42 3.63 0.050 67. BD ( 1) C 6- H 16 104. BD*( 1) C 7- C 8 0.86 0.96 0.036 67. BD ( 1) C 6- H 16 108. BD*( 1) C 9- C 10 0.86 0.96 0.036 67. BD ( 1) C 6- H 16 384. RY ( 4) C 6 0.39 2.28 0.038 67. BD ( 1) C 6- H 16 433. RY ( 1) C 7 0.61 2.27 0.047 67. BD ( 1) C 6- H 16 438. RY ( 6) C 7 0.33 5.21 0.052 67. BD ( 1) C 6- H 16 442. RY (10) C 7 0.37 3.60 0.046 67. BD ( 1) C 6- H 16 589. RY ( 1) C 10 0.59 2.25 0.046 67. BD ( 1) C 6- H 16 594. RY ( 6) C 10 0.34 5.26 0.054 67. BD ( 1) C 6- H 16 598. RY (10) C 10 0.40 3.80 0.049 68. BD ( 1) C 7- C 8 87. LV ( 1) C 8 2.48 0.41 0.040 68. BD ( 1) C 7- C 8 102. BD*( 1) C 6- C 10 0.26 1.04 0.021 68. BD ( 1) C 7- C 8 103. BD*( 1) C 6- H 16 1.50 0.96 0.048 68. BD ( 1) C 7- C 8 109. BD*( 1) C 9- H 19 1.59 0.94 0.049 68. BD ( 1) C 7- C 8 120. 3C*( 1)C6-C7-C10 0.46 0.60 0.021 68. BD ( 1) C 7- C 8 381. RY ( 1) C 6 0.36 2.28 0.036 68. BD ( 1) C 7- C 8 382. RY ( 2) C 6 1.00 2.05 0.057 68. BD ( 1) C 7- C 8 537. RY ( 1) C 9 0.35 2.35 0.036 68. BD ( 1) C 7- C 8 538. RY ( 2) C 9 0.96 2.13 0.057 68. BD ( 1) C 7- C 8 816. RY ( 2) H 17 0.29 3.68 0.041 68. BD ( 1) C 7- C 8 845. RY ( 2) H 18 0.34 3.12 0.041 69. BD ( 1) C 7- H 17 102. BD*( 1) C 6- C 10 0.84 0.97 0.036 69. BD ( 1) C 7- H 17 106. BD*( 1) C 8- C 9 0.87 0.96 0.036 69. BD ( 1) C 7- H 17 381. RY ( 1) C 6 0.73 2.20 0.051 69. BD ( 1) C 7- H 17 386. RY ( 6) C 6 0.34 5.25 0.053 69. BD ( 1) C 7- H 17 437. RY ( 5) C 7 0.29 3.00 0.037 69. BD ( 1) C 7- H 17 485. RY ( 1) C 8 0.76 2.28 0.053 69. BD ( 1) C 7- H 17 490. RY ( 6) C 8 0.33 5.31 0.053 69. BD ( 1) C 7- H 17 493. RY ( 9) C 8 0.25 3.93 0.040 70. BD ( 1) C 8- C 9 87. LV ( 1) C 8 2.68 0.41 0.042 70. BD ( 1) C 8- C 9 88. LV ( 1) C 9 2.70 0.41 0.042 70. BD ( 1) C 8- C 9 105. BD*( 1) C 7- H 17 1.49 0.95 0.048 70. BD ( 1) C 8- C 9 110. BD*( 1) C 10- H 20 1.51 0.95 0.048 70. BD ( 1) C 8- C 9 434. RY ( 2) C 7 0.88 2.18 0.055 70. BD ( 1) C 8- C 9 590. RY ( 2) C 10 0.88 2.18 0.055 70. BD ( 1) C 8- C 9 874. RY ( 2) H 19 0.28 3.12 0.038 71. BD ( 1) C 8- H 18 87. LV ( 1) C 8 0.54 0.34 0.017 71. BD ( 1) C 8- H 18 101. BD*( 1) C 6- C 7 0.83 0.97 0.036 71. BD ( 1) C 8- H 18 108. BD*( 1) C 9- C 10 0.83 0.97 0.036 71. BD ( 1) C 8- H 18 433. RY ( 1) C 7 0.67 2.29 0.049 71. BD ( 1) C 8- H 18 438. RY ( 6) C 7 0.34 5.22 0.053 71. BD ( 1) C 8- H 18 537. RY ( 1) C 9 0.67 2.28 0.049 71. BD ( 1) C 8- H 18 542. RY ( 6) C 9 0.36 5.33 0.055 72. BD ( 1) C 9- C 10 88. LV ( 1) C 9 2.64 0.41 0.042 72. BD ( 1) C 9- C 10 101. BD*( 1) C 6- C 7 0.25 1.05 0.021 72. BD ( 1) C 9- C 10 103. BD*( 1) C 6- H 16 1.49 0.96 0.048 72. BD ( 1) C 9- C 10 107. BD*( 1) C 8- H 18 1.59 0.94 0.049 72. BD ( 1) C 9- C 10 120. 3C*( 1)C6-C7-C10 0.50 0.60 0.022 72. BD ( 1) C 9- C 10 381. RY ( 1) C 6 0.30 2.28 0.033 72. BD ( 1) C 9- C 10 382. RY ( 2) C 6 1.03 2.05 0.058 72. BD ( 1) C 9- C 10 485. RY ( 1) C 8 0.34 2.36 0.036 72. BD ( 1) C 9- C 10 486. RY ( 2) C 8 1.01 2.13 0.059 72. BD ( 1) C 9- C 10 874. RY ( 2) H 19 0.33 3.13 0.040 72. BD ( 1) C 9- C 10 903. RY ( 2) H 20 0.31 3.64 0.042 73. BD ( 1) C 9- H 19 88. LV ( 1) C 9 0.55 0.34 0.017 73. BD ( 1) C 9- H 19 102. BD*( 1) C 6- C 10 0.82 0.97 0.036 73. BD ( 1) C 9- H 19 104. BD*( 1) C 7- C 8 0.85 0.97 0.036 73. BD ( 1) C 9- H 19 485. RY ( 1) C 8 0.70 2.29 0.050 73. BD ( 1) C 9- H 19 490. RY ( 6) C 8 0.36 5.32 0.055 73. BD ( 1) C 9- H 19 494. RY (10) C 8 0.25 2.99 0.035 73. BD ( 1) C 9- H 19 589. RY ( 1) C 10 0.66 2.26 0.049 73. BD ( 1) C 9- H 19 594. RY ( 6) C 10 0.34 5.27 0.053 74. BD ( 1) C 10- H 20 101. BD*( 1) C 6- C 7 0.83 0.97 0.036 74. BD ( 1) C 10- H 20 106. BD*( 1) C 8- C 9 0.86 0.96 0.036 74. BD ( 1) C 10- H 20 381. RY ( 1) C 6 0.75 2.21 0.051 74. BD ( 1) C 10- H 20 386. RY ( 6) C 6 0.34 5.25 0.054 74. BD ( 1) C 10- H 20 537. RY ( 1) C 9 0.78 2.27 0.053 74. BD ( 1) C 10- H 20 542. RY ( 6) C 9 0.33 5.32 0.053 74. BD ( 1) C 10- H 20 545. RY ( 9) C 9 0.27 4.02 0.042 74. BD ( 1) C 10- H 20 593. RY ( 5) C 10 0.28 2.85 0.036 74. BD ( 1) C 10- H 20 603. RY (15) C 10 0.28 6.17 0.053 84. 3C ( 1)C6-C7-C10 87. LV ( 1) C 8 12.85 0.17 0.059 84. 3C ( 1)C6-C7-C10 88. LV ( 1) C 9 13.18 0.17 0.060 84. 3C ( 1)C6-C7-C10 120. 3C*( 1)C6-C7-C10 0.57 0.36 0.018 86. 3Cn( 1)C6-C7-C10 87. LV ( 1) C 8 492.76 0.01 0.090 86. 3Cn( 1)C6-C7-C10 88. LV ( 1) C 9 464.21 0.01 0.091 86. 3Cn( 1)C6-C7-C10 101. BD*( 1) C 6- C 7 0.42 0.62 0.020 86. 3Cn( 1)C6-C7-C10 102. BD*( 1) C 6- C 10 0.47 0.62 0.021 86. 3Cn( 1)C6-C7-C10 104. BD*( 1) C 7- C 8 0.57 0.62 0.024 86. 3Cn( 1)C6-C7-C10 108. BD*( 1) C 9- C 10 0.64 0.62 0.025 86. 3Cn( 1)C6-C7-C10 385. RY ( 5) C 6 1.76 2.81 0.089 86. 3Cn( 1)C6-C7-C10 396. RY (16) C 6 0.46 3.94 0.054 86. 3Cn( 1)C6-C7-C10 415. RY (35) C 6 0.41 4.37 0.054 86. 3Cn( 1)C6-C7-C10 434. RY ( 2) C 7 1.12 1.75 0.056 86. 3Cn( 1)C6-C7-C10 435. RY ( 3) C 7 0.79 1.61 0.045 86. 3Cn( 1)C6-C7-C10 441. RY ( 9) C 7 0.26 3.43 0.038 86. 3Cn( 1)C6-C7-C10 444. RY (12) C 7 0.32 2.84 0.038 86. 3Cn( 1)C6-C7-C10 487. RY ( 3) C 8 0.59 1.39 0.036 86. 3Cn( 1)C6-C7-C10 488. RY ( 4) C 8 0.36 1.98 0.034 86. 3Cn( 1)C6-C7-C10 539. RY ( 3) C 9 0.52 1.45 0.035 86. 3Cn( 1)C6-C7-C10 540. RY ( 4) C 9 0.38 1.95 0.034 86. 3Cn( 1)C6-C7-C10 590. RY ( 2) C 10 1.20 1.76 0.058 86. 3Cn( 1)C6-C7-C10 591. RY ( 3) C 10 0.67 1.61 0.042 86. 3Cn( 1)C6-C7-C10 597. RY ( 9) C 10 0.27 3.39 0.038 86. 3Cn( 1)C6-C7-C10 600. RY (12) C 10 0.26 2.73 0.033 from unit 2 to unit 3 65. BD ( 1) C 6- C 7 90. LV ( 2)Sc 26 8.40 0.80 0.103 65. BD ( 1) C 6- C 7 112. BD*( 1) S 21-Sc 26 0.42 0.69 0.022 65. BD ( 1) C 6- C 7 113. BD*( 2) S 21-Sc 26 0.39 0.70 0.021 65. BD ( 1) C 6- C 7 117. BD*( 1) S 25-Sc 26 0.09 0.69 0.010 65. BD ( 1) C 6- C 7 118. BD*( 2) S 25-Sc 26 0.82 0.70 0.030 65. BD ( 1) C 6- C 7 1237. RY ( 2)Sc 26 0.05 0.93 0.008 65. BD ( 1) C 6- C 7 1238. RY ( 3)Sc 26 1.86 0.85 0.050 65. BD ( 1) C 6- C 7 1239. RY ( 4)Sc 26 0.38 0.87 0.023 65. BD ( 1) C 6- C 7 1240. RY ( 5)Sc 26 0.12 0.88 0.013 65. BD ( 1) C 6- C 7 1241. RY ( 6)Sc 26 0.04 1.68 0.010 65. BD ( 1) C 6- C 7 1242. RY ( 7)Sc 26 0.03 1.64 0.009 65. BD ( 1) C 6- C 7 1244. RY ( 9)Sc 26 0.04 2.32 0.011 65. BD ( 1) C 6- C 7 1255. RY (20)Sc 26 0.04 2.57 0.013 65. BD ( 1) C 6- C 7 1260. RY (25)Sc 26 0.04 2.50 0.012 65. BD ( 1) C 6- C 7 1281. RY (46)Sc 26 0.03 288.78 0.115 65. BD ( 1) C 6- C 7 1284. RY (49)Sc 26 0.03 4.66 0.015 65. BD ( 1) C 6- C 7 1286. RY (51)Sc 26 0.06 15.52 0.037 65. BD ( 1) C 6- C 7 1296. RY (61)Sc 26 0.05 3.56 0.016 65. BD ( 1) C 6- C 7 1298. RY (63)Sc 26 0.03 7.29 0.020 66. BD ( 1) C 6- C 10 90. LV ( 2)Sc 26 8.28 0.79 0.102 66. BD ( 1) C 6- C 10 112. BD*( 1) S 21-Sc 26 0.05 0.69 0.008 66. BD ( 1) C 6- C 10 113. BD*( 2) S 21-Sc 26 0.98 0.70 0.033 66. BD ( 1) C 6- C 10 117. BD*( 1) S 25-Sc 26 0.42 0.69 0.022 66. BD ( 1) C 6- C 10 118. BD*( 2) S 25-Sc 26 0.49 0.70 0.023 66. BD ( 1) C 6- C 10 1236. RY ( 1)Sc 26 0.05 0.84 0.008 66. BD ( 1) C 6- C 10 1237. RY ( 2)Sc 26 0.09 0.93 0.011 66. BD ( 1) C 6- C 10 1238. RY ( 3)Sc 26 1.79 0.85 0.049 66. BD ( 1) C 6- C 10 1239. RY ( 4)Sc 26 0.34 0.87 0.022 66. BD ( 1) C 6- C 10 1240. RY ( 5)Sc 26 0.10 0.88 0.012 66. BD ( 1) C 6- C 10 1241. RY ( 6)Sc 26 0.06 1.68 0.013 66. BD ( 1) C 6- C 10 1245. RY (10)Sc 26 0.05 2.33 0.014 66. BD ( 1) C 6- C 10 1246. RY (11)Sc 26 0.03 2.03 0.009 66. BD ( 1) C 6- C 10 1255. RY (20)Sc 26 0.05 2.57 0.014 66. BD ( 1) C 6- C 10 1260. RY (25)Sc 26 0.03 2.49 0.011 66. BD ( 1) C 6- C 10 1261. RY (26)Sc 26 0.03 2.45 0.010 66. BD ( 1) C 6- C 10 1281. RY (46)Sc 26 0.03 288.78 0.113 66. BD ( 1) C 6- C 10 1283. RY (48)Sc 26 0.03 19.53 0.029 66. BD ( 1) C 6- C 10 1286. RY (51)Sc 26 0.06 15.51 0.039 66. BD ( 1) C 6- C 10 1302. RY (67)Sc 26 0.03 4.22 0.014 66. BD ( 1) C 6- C 10 1307. RY (72)Sc 26 0.04 3.63 0.015 67. BD ( 1) C 6- H 16 89. LV ( 1)Sc 26 1.56 0.52 0.036 67. BD ( 1) C 6- H 16 90. LV ( 2)Sc 26 2.97 0.71 0.058 67. BD ( 1) C 6- H 16 113. BD*( 2) S 21-Sc 26 0.11 0.62 0.011 67. BD ( 1) C 6- H 16 118. BD*( 2) S 25-Sc 26 0.21 0.62 0.015 67. BD ( 1) C 6- H 16 1238. RY ( 3)Sc 26 0.24 0.76 0.017 67. BD ( 1) C 6- H 16 1239. RY ( 4)Sc 26 0.85 0.79 0.033 67. BD ( 1) C 6- H 16 1249. RY (14)Sc 26 0.03 2.10 0.010 67. BD ( 1) C 6- H 16 1254. RY (19)Sc 26 0.03 2.82 0.011 67. BD ( 1) C 6- H 16 1257. RY (22)Sc 26 0.03 3.87 0.014 67. BD ( 1) C 6- H 16 1281. RY (46)Sc 26 0.03 288.70 0.112 67. BD ( 1) C 6- H 16 1286. RY (51)Sc 26 0.05 15.43 0.033 67. BD ( 1) C 6- H 16 1294. RY (59)Sc 26 0.04 5.24 0.019 68. BD ( 1) C 7- C 8 89. LV ( 1)Sc 26 2.74 0.60 0.051 68. BD ( 1) C 7- C 8 90. LV ( 2)Sc 26 4.63 0.80 0.077 68. BD ( 1) C 7- C 8 112. BD*( 1) S 21-Sc 26 0.29 0.70 0.018 68. BD ( 1) C 7- C 8 113. BD*( 2) S 21-Sc 26 0.88 0.71 0.031 68. BD ( 1) C 7- C 8 117. BD*( 1) S 25-Sc 26 0.41 0.70 0.021 68. BD ( 1) C 7- C 8 118. BD*( 2) S 25-Sc 26 1.88 0.71 0.046 68. BD ( 1) C 7- C 8 1236. RY ( 1)Sc 26 0.09 0.85 0.011 68. BD ( 1) C 7- C 8 1237. RY ( 2)Sc 26 0.17 0.93 0.016 68. BD ( 1) C 7- C 8 1238. RY ( 3)Sc 26 1.47 0.85 0.045 68. BD ( 1) C 7- C 8 1239. RY ( 4)Sc 26 0.13 0.87 0.013 68. BD ( 1) C 7- C 8 1241. RY ( 6)Sc 26 0.16 1.68 0.021 68. BD ( 1) C 7- C 8 1242. RY ( 7)Sc 26 0.03 1.65 0.008 68. BD ( 1) C 7- C 8 1245. RY (10)Sc 26 0.03 2.33 0.010 68. BD ( 1) C 7- C 8 1246. RY (11)Sc 26 0.03 2.03 0.009 68. BD ( 1) C 7- C 8 1251. RY (16)Sc 26 0.06 2.77 0.017 68. BD ( 1) C 7- C 8 1270. RY (35)Sc 26 0.04 2.96 0.013 68. BD ( 1) C 7- C 8 1309. RY (74)Sc 26 0.03 4.17 0.014 69. BD ( 1) C 7- H 17 89. LV ( 1)Sc 26 0.03 0.52 0.005 69. BD ( 1) C 7- H 17 90. LV ( 2)Sc 26 1.60 0.72 0.043 69. BD ( 1) C 7- H 17 111. BD*( 1) S 21- S 22 0.18 0.56 0.013 69. BD ( 1) C 7- H 17 113. BD*( 2) S 21-Sc 26 0.65 0.63 0.025 69. BD ( 1) C 7- H 17 117. BD*( 1) S 25-Sc 26 0.19 0.62 0.014 69. BD ( 1) C 7- H 17 118. BD*( 2) S 25-Sc 26 2.91 0.63 0.054 69. BD ( 1) C 7- H 17 1237. RY ( 2)Sc 26 0.20 0.86 0.017 69. BD ( 1) C 7- H 17 1238. RY ( 3)Sc 26 0.26 0.77 0.018 69. BD ( 1) C 7- H 17 1239. RY ( 4)Sc 26 0.04 0.79 0.007 69. BD ( 1) C 7- H 17 1240. RY ( 5)Sc 26 0.18 0.81 0.015 69. BD ( 1) C 7- H 17 1241. RY ( 6)Sc 26 0.19 1.61 0.022 69. BD ( 1) C 7- H 17 1242. RY ( 7)Sc 26 0.03 1.57 0.009 69. BD ( 1) C 7- H 17 1261. RY (26)Sc 26 0.04 2.37 0.012 69. BD ( 1) C 7- H 17 1266. RY (31)Sc 26 0.03 2.86 0.012 69. BD ( 1) C 7- H 17 1277. RY (42)Sc 26 0.03 3.24 0.012 69. BD ( 1) C 7- H 17 1286. RY (51)Sc 26 0.03 15.44 0.026 69. BD ( 1) C 7- H 17 1298. RY (63)Sc 26 0.03 7.22 0.019 70. BD ( 1) C 8- C 9 89. LV ( 1)Sc 26 8.00 0.60 0.087 70. BD ( 1) C 8- C 9 90. LV ( 2)Sc 26 2.45 0.80 0.056 70. BD ( 1) C 8- C 9 112. BD*( 1) S 21-Sc 26 0.05 0.69 0.007 70. BD ( 1) C 8- C 9 113. BD*( 2) S 21-Sc 26 0.15 0.70 0.013 70. BD ( 1) C 8- C 9 117. BD*( 1) S 25-Sc 26 0.11 0.69 0.011 70. BD ( 1) C 8- C 9 118. BD*( 2) S 25-Sc 26 0.09 0.70 0.010 70. BD ( 1) C 8- C 9 1238. RY ( 3)Sc 26 1.16 0.85 0.040 70. BD ( 1) C 8- C 9 1239. RY ( 4)Sc 26 1.11 0.87 0.039 70. BD ( 1) C 8- C 9 1240. RY ( 5)Sc 26 0.05 0.88 0.008 70. BD ( 1) C 8- C 9 1246. RY (11)Sc 26 0.09 2.03 0.017 70. BD ( 1) C 8- C 9 1248. RY (13)Sc 26 0.03 2.41 0.011 70. BD ( 1) C 8- C 9 1273. RY (38)Sc 26 0.06 4.39 0.020 70. BD ( 1) C 8- C 9 1294. RY (59)Sc 26 0.03 5.32 0.016 71. BD ( 1) C 8- H 18 89. LV ( 1)Sc 26 1.92 0.53 0.040 71. BD ( 1) C 8- H 18 90. LV ( 2)Sc 26 0.35 0.73 0.020 71. BD ( 1) C 8- H 18 113. BD*( 2) S 21-Sc 26 0.52 0.63 0.023 71. BD ( 1) C 8- H 18 117. BD*( 1) S 25-Sc 26 2.43 0.63 0.049 71. BD ( 1) C 8- H 18 118. BD*( 2) S 25-Sc 26 0.06 0.63 0.008 71. BD ( 1) C 8- H 18 1236. RY ( 1)Sc 26 0.39 0.78 0.022 71. BD ( 1) C 8- H 18 1237. RY ( 2)Sc 26 0.03 0.86 0.006 71. BD ( 1) C 8- H 18 1238. RY ( 3)Sc 26 0.09 0.78 0.010 71. BD ( 1) C 8- H 18 1239. RY ( 4)Sc 26 0.43 0.80 0.024 71. BD ( 1) C 8- H 18 1246. RY (11)Sc 26 0.03 1.96 0.010 71. BD ( 1) C 8- H 18 1256. RY (21)Sc 26 0.08 1.94 0.016 71. BD ( 1) C 8- H 18 1257. RY (22)Sc 26 0.04 3.89 0.015 71. BD ( 1) C 8- H 18 1267. RY (32)Sc 26 0.03 3.06 0.012 71. BD ( 1) C 8- H 18 1273. RY (38)Sc 26 0.03 4.32 0.014 71. BD ( 1) C 8- H 18 1286. RY (51)Sc 26 0.03 15.45 0.028 71. BD ( 1) C 8- H 18 1294. RY (59)Sc 26 0.03 5.25 0.016 71. BD ( 1) C 8- H 18 1308. RY (73)Sc 26 0.03 3.54 0.012 72. BD ( 1) C 9- C 10 89. LV ( 1)Sc 26 3.23 0.60 0.056 72. BD ( 1) C 9- C 10 90. LV ( 2)Sc 26 4.37 0.80 0.075 72. BD ( 1) C 9- C 10 112. BD*( 1) S 21-Sc 26 0.49 0.70 0.023 72. BD ( 1) C 9- C 10 113. BD*( 2) S 21-Sc 26 1.60 0.70 0.042 72. BD ( 1) C 9- C 10 117. BD*( 1) S 25-Sc 26 0.24 0.70 0.016 72. BD ( 1) C 9- C 10 118. BD*( 2) S 25-Sc 26 0.96 0.71 0.033 72. BD ( 1) C 9- C 10 1236. RY ( 1)Sc 26 0.10 0.85 0.011 72. BD ( 1) C 9- C 10 1237. RY ( 2)Sc 26 0.26 0.93 0.020 72. BD ( 1) C 9- C 10 1238. RY ( 3)Sc 26 1.33 0.85 0.042 72. BD ( 1) C 9- C 10 1239. RY ( 4)Sc 26 0.17 0.87 0.015 72. BD ( 1) C 9- C 10 1241. RY ( 6)Sc 26 0.13 1.68 0.019 72. BD ( 1) C 9- C 10 1244. RY ( 9)Sc 26 0.03 2.32 0.010 72. BD ( 1) C 9- C 10 1246. RY (11)Sc 26 0.03 2.03 0.009 72. BD ( 1) C 9- C 10 1252. RY (17)Sc 26 0.03 2.77 0.012 72. BD ( 1) C 9- C 10 1267. RY (32)Sc 26 0.05 3.13 0.016 73. BD ( 1) C 9- H 19 89. LV ( 1)Sc 26 2.19 0.53 0.043 73. BD ( 1) C 9- H 19 90. LV ( 2)Sc 26 0.31 0.73 0.019 73. BD ( 1) C 9- H 19 112. BD*( 1) S 21-Sc 26 2.27 0.63 0.048 73. BD ( 1) C 9- H 19 118. BD*( 2) S 25-Sc 26 0.67 0.63 0.026 73. BD ( 1) C 9- H 19 1236. RY ( 1)Sc 26 0.31 0.78 0.020 73. BD ( 1) C 9- H 19 1237. RY ( 2)Sc 26 0.03 0.86 0.007 73. BD ( 1) C 9- H 19 1238. RY ( 3)Sc 26 0.07 0.78 0.009 73. BD ( 1) C 9- H 19 1239. RY ( 4)Sc 26 0.53 0.80 0.026 73. BD ( 1) C 9- H 19 1240. RY ( 5)Sc 26 0.06 0.81 0.009 73. BD ( 1) C 9- H 19 1246. RY (11)Sc 26 0.04 1.96 0.011 73. BD ( 1) C 9- H 19 1256. RY (21)Sc 26 0.05 1.94 0.013 73. BD ( 1) C 9- H 19 1257. RY (22)Sc 26 0.05 3.89 0.017 73. BD ( 1) C 9- H 19 1268. RY (33)Sc 26 0.03 3.11 0.012 73. BD ( 1) C 9- H 19 1286. RY (51)Sc 26 0.03 15.45 0.028 73. BD ( 1) C 9- H 19 1294. RY (59)Sc 26 0.03 5.25 0.016 73. BD ( 1) C 9- H 19 1309. RY (74)Sc 26 0.03 4.10 0.015 74. BD ( 1) C 10- H 20 90. LV ( 2)Sc 26 1.50 0.72 0.041 74. BD ( 1) C 10- H 20 112. BD*( 1) S 21-Sc 26 0.39 0.62 0.020 74. BD ( 1) C 10- H 20 113. BD*( 2) S 21-Sc 26 3.16 0.63 0.056 74. BD ( 1) C 10- H 20 116. BD*( 1) S 24- S 25 0.12 0.55 0.010 74. BD ( 1) C 10- H 20 118. BD*( 2) S 25-Sc 26 0.63 0.63 0.025 74. BD ( 1) C 10- H 20 1237. RY ( 2)Sc 26 0.23 0.86 0.018 74. BD ( 1) C 10- H 20 1238. RY ( 3)Sc 26 0.22 0.77 0.017 74. BD ( 1) C 10- H 20 1239. RY ( 4)Sc 26 0.03 0.79 0.006 74. BD ( 1) C 10- H 20 1240. RY ( 5)Sc 26 0.18 0.81 0.015 74. BD ( 1) C 10- H 20 1241. RY ( 6)Sc 26 0.23 1.61 0.024 74. BD ( 1) C 10- H 20 1261. RY (26)Sc 26 0.04 2.37 0.013 74. BD ( 1) C 10- H 20 1267. RY (32)Sc 26 0.06 3.05 0.017 74. BD ( 1) C 10- H 20 1286. RY (51)Sc 26 0.03 15.44 0.028 74. BD ( 1) C 10- H 20 1298. RY (63)Sc 26 0.03 7.22 0.018 84. 3C ( 1)C6-C7-C10 89. LV ( 1)Sc 26 1.31 0.36 0.027 84. 3C ( 1)C6-C7-C10 90. LV ( 2)Sc 26 9.33 0.55 0.091 84. 3C ( 1)C6-C7-C10 111. BD*( 1) S 21- S 22 0.14 0.39 0.009 84. 3C ( 1)C6-C7-C10 112. BD*( 1) S 21-Sc 26 0.04 0.45 0.005 84. 3C ( 1)C6-C7-C10 113. BD*( 2) S 21-Sc 26 0.07 0.46 0.007 84. 3C ( 1)C6-C7-C10 116. BD*( 1) S 24- S 25 0.13 0.39 0.009 84. 3C ( 1)C6-C7-C10 117. BD*( 1) S 25-Sc 26 0.08 0.45 0.008 84. 3C ( 1)C6-C7-C10 118. BD*( 2) S 25-Sc 26 0.03 0.46 0.005 84. 3C ( 1)C6-C7-C10 1240. RY ( 5)Sc 26 0.13 0.64 0.011 84. 3C ( 1)C6-C7-C10 1246. RY (11)Sc 26 0.14 1.79 0.020 84. 3C ( 1)C6-C7-C10 1247. RY (12)Sc 26 0.05 2.05 0.012 84. 3C ( 1)C6-C7-C10 1248. RY (13)Sc 26 0.05 2.17 0.014 84. 3C ( 1)C6-C7-C10 1255. RY (20)Sc 26 0.21 2.33 0.028 84. 3C ( 1)C6-C7-C10 1258. RY (23)Sc 26 0.04 2.37 0.012 84. 3C ( 1)C6-C7-C10 1264. RY (29)Sc 26 0.03 2.47 0.011 84. 3C ( 1)C6-C7-C10 1280. RY (45)Sc 26 0.03 213.25 0.103 84. 3C ( 1)C6-C7-C10 1281. RY (46)Sc 26 0.08 288.54 0.197 84. 3C ( 1)C6-C7-C10 1283. RY (48)Sc 26 0.04 19.29 0.037 84. 3C ( 1)C6-C7-C10 1286. RY (51)Sc 26 0.10 15.27 0.049 84. 3C ( 1)C6-C7-C10 1294. RY (59)Sc 26 0.03 5.08 0.015 84. 3C ( 1)C6-C7-C10 1298. RY (63)Sc 26 0.03 7.05 0.020 84. 3C ( 1)C6-C7-C10 1302. RY (67)Sc 26 0.03 3.97 0.013 84. 3C ( 1)C6-C7-C10 1304. RY (69)Sc 26 0.03 3.49 0.013 84. 3C ( 1)C6-C7-C10 1308. RY (73)Sc 26 0.05 3.37 0.017 84. 3C ( 1)C6-C7-C10 1309. RY (74)Sc 26 0.06 3.93 0.019 84. 3C ( 1)C6-C7-C10 1313. RY (78)Sc 26 0.04 3.84 0.015 86. 3Cn( 1)C6-C7-C10 111. BD*( 1) S 21- S 22 0.36 0.21 0.011 86. 3Cn( 1)C6-C7-C10 112. BD*( 1) S 21-Sc 26 0.47 0.27 0.014 86. 3Cn( 1)C6-C7-C10 113. BD*( 2) S 21-Sc 26 8.15 0.28 0.060 86. 3Cn( 1)C6-C7-C10 116. BD*( 1) S 24- S 25 0.24 0.21 0.009 86. 3Cn( 1)C6-C7-C10 117. BD*( 1) S 25-Sc 26 0.23 0.27 0.010 86. 3Cn( 1)C6-C7-C10 118. BD*( 2) S 25-Sc 26 7.17 0.28 0.057 86. 3Cn( 1)C6-C7-C10 1236. RY ( 1)Sc 26 0.19 0.42 0.011 86. 3Cn( 1)C6-C7-C10 1237. RY ( 2)Sc 26 0.09 0.51 0.008 86. 3Cn( 1)C6-C7-C10 1241. RY ( 6)Sc 26 0.35 1.26 0.027 86. 3Cn( 1)C6-C7-C10 1243. RY ( 8)Sc 26 0.06 1.78 0.013 86. 3Cn( 1)C6-C7-C10 1250. RY (15)Sc 26 0.04 2.34 0.012 86. 3Cn( 1)C6-C7-C10 1251. RY (16)Sc 26 0.04 2.35 0.012 86. 3Cn( 1)C6-C7-C10 1252. RY (17)Sc 26 0.09 2.35 0.018 86. 3Cn( 1)C6-C7-C10 1256. RY (21)Sc 26 0.16 1.59 0.020 86. 3Cn( 1)C6-C7-C10 1265. RY (30)Sc 26 0.03 2.23 0.011 86. 3Cn( 1)C6-C7-C10 1267. RY (32)Sc 26 0.03 2.71 0.011 from unit 3 to unit 1 47. LP ( 1) S 21 94. BD*( 1) C 2- C 3 0.03 0.86 0.007 47. LP ( 1) S 21 119. 3C*( 1)C1-C4-C5 0.03 0.44 0.004 48. LP ( 1) S 22 100. BD*( 1) C 5- H 15 0.07 0.92 0.010 49. LP ( 2) S 22 98. BD*( 1) C 4- C 5 0.04 0.74 0.007 49. LP ( 2) S 22 100. BD*( 1) C 5- H 15 0.25 0.66 0.016 53. LP ( 2) S 24 92. BD*( 1) C 1- C 5 0.06 0.74 0.008 53. LP ( 2) S 24 96. BD*( 1) C 3- C 4 0.04 0.73 0.007 53. LP ( 2) S 24 100. BD*( 1) C 5- H 15 0.09 0.66 0.010 54. LP ( 1) S 25 94. BD*( 1) C 2- C 3 0.03 0.86 0.006 54. LP ( 1) S 25 119. 3C*( 1)C1-C4-C5 0.08 0.44 0.008 75. BD ( 1) S 21- S 22 123. RY ( 3) C 1 0.03 1.88 0.009 75. BD ( 1) S 21- S 22 278. RY ( 2) C 4 0.05 2.22 0.013 75. BD ( 1) S 21- S 22 331. RY ( 3) C 5 0.03 1.84 0.010 75. BD ( 1) S 21- S 22 333. RY ( 5) C 5 0.04 2.39 0.013 75. BD ( 1) S 21- S 22 336. RY ( 8) C 5 0.03 3.00 0.012 76. BD ( 1) S 21-Sc 26 125. RY ( 5) C 1 0.05 2.73 0.015 76. BD ( 1) S 21-Sc 26 333. RY ( 5) C 5 0.05 2.31 0.014 77. BD ( 2) S 21-Sc 26 119. 3C*( 1)C1-C4-C5 0.04 0.27 0.004 77. BD ( 2) S 21-Sc 26 125. RY ( 5) C 1 0.03 2.54 0.010 80. BD ( 1) S 24- S 25 122. RY ( 2) C 1 0.04 2.30 0.013 80. BD ( 1) S 24- S 25 175. RY ( 3) C 2 0.03 1.67 0.010 80. BD ( 1) S 24- S 25 330. RY ( 2) C 5 0.03 1.95 0.010 80. BD ( 1) S 24- S 25 333. RY ( 5) C 5 0.04 2.39 0.013 80. BD ( 1) S 24- S 25 337. RY ( 9) C 5 0.04 2.88 0.013 81. BD ( 1) S 25-Sc 26 119. 3C*( 1)C1-C4-C5 0.08 0.47 0.008 81. BD ( 1) S 25-Sc 26 173. RY ( 1) C 2 0.03 2.30 0.010 81. BD ( 1) S 25-Sc 26 281. RY ( 5) C 4 0.05 2.82 0.015 81. BD ( 1) S 25-Sc 26 333. RY ( 5) C 5 0.04 2.31 0.012 82. BD ( 2) S 25-Sc 26 99. BD*( 1) C 4- H 14 0.03 0.62 0.006 82. BD ( 2) S 25-Sc 26 119. 3C*( 1)C1-C4-C5 0.15 0.27 0.008 82. BD ( 2) S 25-Sc 26 280. RY ( 4) C 4 0.03 2.53 0.010 from unit 3 to unit 2 40. CR ( 5)Sc 26 87. LV ( 1) C 8 0.04 1.17 0.009 40. CR ( 5)Sc 26 88. LV ( 1) C 9 0.05 1.17 0.009 47. LP ( 1) S 21 87. LV ( 1) C 8 0.05 0.24 0.004 47. LP ( 1) S 21 88. LV ( 1) C 9 0.09 0.23 0.006 49. LP ( 2) S 22 88. LV ( 1) C 9 0.20 0.10 0.006 52. LP ( 1) S 24 87. LV ( 1) C 8 0.03 0.36 0.004 53. LP ( 2) S 24 87. LV ( 1) C 8 0.23 0.10 0.006 53. LP ( 2) S 24 88. LV ( 1) C 9 0.03 0.10 0.002 54. LP ( 1) S 25 87. LV ( 1) C 8 0.13 0.24 0.007 54. LP ( 1) S 25 88. LV ( 1) C 9 0.05 0.24 0.004 75. BD ( 1) S 21- S 22 88. LV ( 1) C 9 0.08 0.34 0.007 75. BD ( 1) S 21- S 22 382. RY ( 2) C 6 0.03 1.98 0.010 75. BD ( 1) S 21- S 22 539. RY ( 3) C 9 0.20 1.80 0.024 75. BD ( 1) S 21- S 22 540. RY ( 4) C 9 0.03 2.30 0.011 75. BD ( 1) S 21- S 22 590. RY ( 2) C 10 0.03 2.11 0.010 76. BD ( 1) S 21-Sc 26 88. LV ( 1) C 9 0.09 0.26 0.006 76. BD ( 1) S 21-Sc 26 105. BD*( 1) C 7- H 17 0.05 0.81 0.008 76. BD ( 1) S 21-Sc 26 120. 3C*( 1)C6-C7-C10 0.08 0.45 0.007 76. BD ( 1) S 21-Sc 26 383. RY ( 3) C 6 0.13 1.71 0.019 76. BD ( 1) S 21-Sc 26 384. RY ( 4) C 6 0.04 2.21 0.012 76. BD ( 1) S 21-Sc 26 437. RY ( 5) C 7 0.05 2.93 0.016 77. BD ( 2) S 21-Sc 26 87. LV ( 1) C 8 0.03 0.07 0.002 77. BD ( 2) S 21-Sc 26 104. BD*( 1) C 7- C 8 0.03 0.70 0.005 77. BD ( 2) S 21-Sc 26 120. 3C*( 1)C6-C7-C10 0.09 0.26 0.006 77. BD ( 2) S 21-Sc 26 383. RY ( 3) C 6 0.04 1.52 0.010 78. BD ( 1) S 22- S 23 383. RY ( 3) C 6 0.03 1.82 0.009 78. BD ( 1) S 22- S 23 539. RY ( 3) C 9 0.03 1.83 0.009 79. BD ( 1) S 23- S 24 383. RY ( 3) C 6 0.03 1.82 0.009 79. BD ( 1) S 23- S 24 487. RY ( 3) C 8 0.03 1.77 0.009 80. BD ( 1) S 24- S 25 87. LV ( 1) C 8 0.09 0.34 0.007 80. BD ( 1) S 24- S 25 487. RY ( 3) C 8 0.22 1.74 0.025 80. BD ( 1) S 24- S 25 488. RY ( 4) C 8 0.05 2.34 0.014 81. BD ( 1) S 25-Sc 26 87. LV ( 1) C 8 0.09 0.26 0.006 81. BD ( 1) S 25-Sc 26 110. BD*( 1) C 10- H 20 0.04 0.80 0.008 81. BD ( 1) S 25-Sc 26 383. RY ( 3) C 6 0.13 1.71 0.019 81. BD ( 1) S 25-Sc 26 384. RY ( 4) C 6 0.05 2.21 0.014 81. BD ( 1) S 25-Sc 26 593. RY ( 5) C 10 0.05 2.78 0.016 82. BD ( 2) S 25-Sc 26 88. LV ( 1) C 9 0.03 0.07 0.002 82. BD ( 2) S 25-Sc 26 120. 3C*( 1)C6-C7-C10 0.14 0.26 0.008 82. BD ( 2) S 25-Sc 26 383. RY ( 3) C 6 0.04 1.52 0.010 within unit 3 47. LP ( 1) S 21 89. LV ( 1)Sc 26 1.44 0.42 0.031 47. LP ( 1) S 21 112. BD*( 1) S 21-Sc 26 0.42 0.52 0.019 47. LP ( 1) S 21 113. BD*( 2) S 21-Sc 26 0.92 0.53 0.028 47. LP ( 1) S 21 118. BD*( 2) S 25-Sc 26 0.80 0.53 0.026 47. LP ( 1) S 21 994. RY ( 3) S 22 0.48 0.88 0.026 47. LP ( 1) S 21 1236. RY ( 1)Sc 26 3.64 0.67 0.062 47. LP ( 1) S 21 1237. RY ( 2)Sc 26 0.42 0.75 0.023 47. LP ( 1) S 21 1238. RY ( 3)Sc 26 1.28 0.67 0.037 48. LP ( 1) S 22 89. LV ( 1)Sc 26 0.38 0.55 0.018 48. LP ( 1) S 22 112. BD*( 1) S 21-Sc 26 0.60 0.64 0.025 49. LP ( 2) S 22 89. LV ( 1)Sc 26 1.51 0.29 0.026 49. LP ( 2) S 22 115. BD*( 1) S 23- S 24 3.69 0.29 0.041 49. LP ( 2) S 22 118. BD*( 2) S 25-Sc 26 0.41 0.39 0.016 49. LP ( 2) S 22 931. RY ( 1) S 21 1.30 0.96 0.045 49. LP ( 2) S 22 997. RY ( 6) S 22 0.32 1.67 0.029 49. LP ( 2) S 22 1053. RY ( 1) S 23 1.54 0.93 0.048 49. LP ( 2) S 22 1054. RY ( 2) S 23 0.28 0.86 0.020 49. LP ( 2) S 22 1239. RY ( 4)Sc 26 0.31 0.56 0.017 51. LP ( 2) S 23 111. BD*( 1) S 21- S 22 2.79 0.33 0.039 51. LP ( 2) S 23 116. BD*( 1) S 24- S 25 2.82 0.33 0.039 51. LP ( 2) S 23 992. RY ( 1) S 22 1.08 0.88 0.039 51. LP ( 2) S 23 993. RY ( 2) S 22 0.48 0.88 0.026 51. LP ( 2) S 23 1114. RY ( 1) S 24 1.07 0.88 0.039 51. LP ( 2) S 23 1115. RY ( 2) S 24 0.52 0.90 0.027 52. LP ( 1) S 24 89. LV ( 1)Sc 26 0.57 0.55 0.022 52. LP ( 1) S 24 117. BD*( 1) S 25-Sc 26 0.65 0.65 0.026 53. LP ( 2) S 24 89. LV ( 1)Sc 26 2.04 0.28 0.030 53. LP ( 2) S 24 113. BD*( 2) S 21-Sc 26 0.43 0.39 0.016 53. LP ( 2) S 24 114. BD*( 1) S 22- S 23 3.68 0.29 0.041 53. LP ( 2) S 24 1053. RY ( 1) S 23 1.51 0.92 0.047 53. LP ( 2) S 24 1054. RY ( 2) S 23 0.34 0.86 0.022 53. LP ( 2) S 24 1175. RY ( 1) S 25 1.30 0.96 0.045 53. LP ( 2) S 24 1239. RY ( 4)Sc 26 0.39 0.56 0.018 54. LP ( 1) S 25 89. LV ( 1)Sc 26 1.22 0.42 0.029 54. LP ( 1) S 25 113. BD*( 2) S 21-Sc 26 0.72 0.53 0.025 54. LP ( 1) S 25 117. BD*( 1) S 25-Sc 26 0.45 0.52 0.019 54. LP ( 1) S 25 118. BD*( 2) S 25-Sc 26 0.72 0.53 0.025 54. LP ( 1) S 25 1116. RY ( 3) S 24 0.57 0.86 0.028 54. LP ( 1) S 25 1236. RY ( 1)Sc 26 3.90 0.67 0.065 54. LP ( 1) S 25 1237. RY ( 2)Sc 26 0.31 0.76 0.019 54. LP ( 1) S 25 1238. RY ( 3)Sc 26 1.28 0.67 0.037 75. BD ( 1) S 21- S 22 89. LV ( 1)Sc 26 0.91 0.53 0.028 75. BD ( 1) S 21- S 22 114. BD*( 1) S 22- S 23 0.47 0.53 0.020 75. BD ( 1) S 21- S 22 1055. RY ( 3) S 23 0.42 1.21 0.029 75. BD ( 1) S 21- S 22 1059. RY ( 7) S 23 0.32 2.13 0.033 75. BD ( 1) S 21- S 22 1236. RY ( 1)Sc 26 0.68 0.78 0.029 75. BD ( 1) S 21- S 22 1242. RY ( 7)Sc 26 0.52 1.57 0.036 75. BD ( 1) S 21- S 22 1243. RY ( 8)Sc 26 0.33 2.14 0.034 75. BD ( 1) S 21- S 22 1245. RY (10)Sc 26 0.65 2.26 0.048 76. BD ( 1) S 21-Sc 26 113. BD*( 2) S 21-Sc 26 0.32 0.56 0.017 76. BD ( 1) S 21-Sc 26 118. BD*( 2) S 25-Sc 26 0.62 0.56 0.023 76. BD ( 1) S 21-Sc 26 994. RY ( 3) S 22 0.44 0.90 0.025 76. BD ( 1) S 21-Sc 26 1236. RY ( 1)Sc 26 0.26 0.70 0.017 77. BD ( 2) S 21-Sc 26 111. BD*( 1) S 21- S 22 0.42 0.29 0.014 77. BD ( 2) S 21-Sc 26 113. BD*( 2) S 21-Sc 26 0.27 0.36 0.012 77. BD ( 2) S 21-Sc 26 114. BD*( 1) S 22- S 23 3.61 0.26 0.039 77. BD ( 2) S 21-Sc 26 117. BD*( 1) S 25-Sc 26 0.26 0.35 0.012 77. BD ( 2) S 21-Sc 26 118. BD*( 2) S 25-Sc 26 3.11 0.36 0.042 77. BD ( 2) S 21-Sc 26 992. RY ( 1) S 22 1.49 0.84 0.045 77. BD ( 2) S 21-Sc 26 993. RY ( 2) S 22 0.40 0.83 0.023 77. BD ( 2) S 21-Sc 26 1237. RY ( 2)Sc 26 0.92 0.59 0.029 78. BD ( 1) S 22- S 23 89. LV ( 1)Sc 26 0.27 0.56 0.015 78. BD ( 1) S 22- S 23 115. BD*( 1) S 23- S 24 0.34 0.56 0.017 78. BD ( 1) S 22- S 23 932. RY ( 2) S 21 0.72 1.68 0.044 78. BD ( 1) S 22- S 23 1117. RY ( 4) S 24 0.45 1.24 0.030 79. BD ( 1) S 23- S 24 89. LV ( 1)Sc 26 0.30 0.56 0.016 79. BD ( 1) S 23- S 24 114. BD*( 1) S 22- S 23 0.34 0.56 0.017 79. BD ( 1) S 23- S 24 995. RY ( 4) S 22 0.41 1.22 0.028 79. BD ( 1) S 23- S 24 1176. RY ( 2) S 25 0.70 1.65 0.043 80. BD ( 1) S 24- S 25 89. LV ( 1)Sc 26 1.17 0.53 0.031 80. BD ( 1) S 24- S 25 115. BD*( 1) S 23- S 24 0.47 0.53 0.020 80. BD ( 1) S 24- S 25 1055. RY ( 3) S 23 0.39 1.21 0.027 80. BD ( 1) S 24- S 25 1236. RY ( 1)Sc 26 0.76 0.78 0.031 80. BD ( 1) S 24- S 25 1242. RY ( 7)Sc 26 0.47 1.57 0.034 80. BD ( 1) S 24- S 25 1243. RY ( 8)Sc 26 0.29 2.13 0.031 80. BD ( 1) S 24- S 25 1244. RY ( 9)Sc 26 0.70 2.25 0.050 81. BD ( 1) S 25-Sc 26 113. BD*( 2) S 21-Sc 26 0.54 0.56 0.022 81. BD ( 1) S 25-Sc 26 1116. RY ( 3) S 24 0.48 0.89 0.026 81. BD ( 1) S 25-Sc 26 1236. RY ( 1)Sc 26 0.30 0.70 0.018 82. BD ( 2) S 25-Sc 26 112. BD*( 1) S 21-Sc 26 0.29 0.35 0.013 82. BD ( 2) S 25-Sc 26 113. BD*( 2) S 21-Sc 26 3.13 0.36 0.043 82. BD ( 2) S 25-Sc 26 115. BD*( 1) S 23- S 24 3.66 0.26 0.039 82. BD ( 2) S 25-Sc 26 116. BD*( 1) S 24- S 25 0.43 0.29 0.014 82. BD ( 2) S 25-Sc 26 118. BD*( 2) S 25-Sc 26 0.28 0.36 0.013 82. BD ( 2) S 25-Sc 26 1114. RY ( 1) S 24 1.55 0.83 0.045 82. BD ( 2) S 25-Sc 26 1115. RY ( 2) S 24 0.33 0.85 0.021 82. BD ( 2) S 25-Sc 26 1237. RY ( 2)Sc 26 0.93 0.59 0.030 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C5H5) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 0.99999 -10.06894 2. CR ( 1) C 2 0.99999 -10.07212 3. CR ( 1) C 3 0.99999 -10.07107 4. CR ( 1) C 4 0.99999 -10.06787 5. CR ( 1) C 5 0.99999 -10.06014 45. LP ( 1) C 2 0.57156 -0.01169 119(v),117(r),118(r),89(r) 124(v),227(v),113(r),175(g) 91(g),94(g),228(v),670(v) 184(g),97(v),673(v),93(v) 1236(r),259(v),180(g) 210(g),193(g),123(v),90(r) 1247(r),1250(r),1286(r) 1265(r),112(r),1281(r) 1242(r),1308(r),1258(r) 1240(r),1254(r),1294(r) 120(r),1252(r),1179(r) 1298(r),1312(r),1302(r) 1256(r),383(r),1255(r) 1309(r),1280(r) 46. LP ( 1) C 3 0.57616 -0.01128 119(v),112(r),89(r),113(r) 280(v),175(v),227(g),94(g) 96(g),176(v),699(v),1236(r) 95(v),235(g),702(v),232(g) 117(r),99(v),90(r),259(g) 118(r),1247(r),1240(r) 1286(r),1250(r),1258(r) 1281(r),1298(r),1251(r) 1271(r),1265(r),1313(r) 1283(r),1257(r),1309(r) 935(r),383(r),1294(r) 1308(r),1242(r),120(r) 55. BD ( 1) C 1- C 2 0.98047 -0.42413 89(r),118(r),90(r),1239(r) 97(v),100(v),330(v),226(v) 117(r),119(g),225(v),642(v) 329(v),671(v),98(v),1237(r) 1236(r),1241(r),113(r) 1250(r),120(r),1269(r) 1240(r),1245(r),1259(r) 56. BD ( 1) C 1- C 5 0.97984 -0.41838 90(r),95(v),99(v),1239(r) 174(v),118(r),89(r),1238(r) 113(r),277(v),758(v),279(v) 642(v),278(v),283(v),761(v) 94(v),96(v),112(r),1236(r) 1241(r),1237(r),117(r) 1240(r),1294(r),1255(r) 1264(r),1286(r),1305(r) 1245(r),1253(r),1298(r) 1269(r),1250(r) 57. BD ( 1) C 1- H 11 0.98376 -0.34474 113(r),90(r),94(v),98(v) 118(r),173(v),329(v),89(r) 335(v),125(g),181(v),178(v) 1239(r),117(r),1237(r) 133(g),337(v),145(g) 1241(r),1236(r),1240(r) 1255(r),1298(r),116(r) 1246(r),1286(r),1264(r) 1238(r) 58. BD ( 1) C 2- C 3 0.97874 -0.42127 89(r),113(r),118(r),1239(r) 93(v),99(v),90(r),122(v) 278(v),279(v),123(v),112(r) 1240(r),1238(r),117(r) 1248(r),120(r),1247(r) 1268(r),1273(r),1301(r) 1259(r),1245(r) 59. BD ( 1) C 2- H 12 0.98360 -0.35446 117(r),118(r),96(v),92(v) 121(v),225(v),89(r),113(r) 230(v),126(v),1236(r) 1238(r),234(v),1239(r) 1240(r),90(r),87(r),1237(r) 1250(r),1286(r),112(r) 1294(r),1265(r),1257(r) 1247(r),1308(r),120(r) 1281(r),1256(r) 60. BD ( 1) C 3- C 4 0.98026 -0.42333 90(r),89(r),113(r),95(v) 1239(r),100(v),330(v) 174(v),119(g),173(v),329(v) 112(r),118(r),729(v),700(v) 92(v),1237(r),1236(r) 1241(r),117(r),1259(r) 1238(r),1268(r),120(r) 1313(r),1252(r),111(r) 1296(r) 61. BD ( 1) C 3- H 13 0.98344 -0.35345 112(r),113(r),91(v),98(v) 89(r),277(v),173(v),1236(r) 178(v),282(v),182(v),293(v) 1239(r),1238(r),90(r) 1237(r),1250(r),1241(r) 1240(r),88(r),1257(r) 1298(r),1286(r),1313(r) 1247(r),1281(r) 62. BD ( 1) C 4- C 5 0.98021 -0.41936 90(r),97(v),93(v),1239(r) 226(v),1238(r),89(r),113(r) 123(v),729(v),121(v),758(v) 759(v),118(r),127(v),94(v) 122(v),91(v),117(r),112(r) 1241(r),1236(r),1240(r) 1294(r),1305(r),1255(r) 1313(r),1286(r),1245(r) 1237(r),1281(r),1276(r) 63. BD ( 1) C 4- H 14 0.98407 -0.34285 118(r),90(r),92(v),94(v) 225(v),113(r),329(v),233(v) 300(g),281(g),230(v),229(v) 335(v),1237(r),89(r) 1239(r),1241(r),1240(r) 1238(r),1236(r),1265(r) 1286(r),1261(r),112(r) 111(r),117(r),1266(r) 1255(r),1313(r),1246(r) 64. BD ( 1) C 5- H 15 0.98392 -0.33709 90(r),1238(r),96(v),91(v) 89(r),277(v),121(v),339(g) 131(v),286(v),126(v),282(v) 122(v),278(v),341(g),359(g) 1294(r),113(r),117(r) 1258(r),1239(r),1286(r) 1274(r),1281(r),1298(r) 1264(r) 83. 3C ( 1) C 1- C 4- C 5 0.94823 -0.17850 90(r),119(g),91(g),113(r) 1286(r),1247(r),1281(r) 1240(r),1246(r),1245(r) 1253(r),1277(r),1309(r) 1255(r),1283(r),1257(r) 1298(r),112(r),1244(r) 1308(r),1280(r),1302(r) 1238(r),1304(r),1294(r) 118(r),1274(r),116(r) 1310(r),1279(r) 85. 3Cn( 1) C 1- C 4- C 5 0.63631 0.00255 113(r),118(r),332(g),278(g) 122(g),227(v),175(v),91(g) 279(g),96(g),123(g),98(g) 92(g),128(g),89(r),343(g) 344(g),285(g),644(v),300(g) 288(g),1241(r),1243(r) 117(r),116(r),1250(r) 111(r),1236(r),1265(r) 1256(r),87(r),1252(r) 1237(r),90(r),112(r) 1291(r),1278(r) ------ non-Lewis ---------------------------------- 91. BD*( 1) C 1- C 2 0.00784 0.61892 92. BD*( 1) C 1- C 5 0.00732 0.62248 93. BD*( 1) C 1- H 11 0.00727 0.53110 94. BD*( 1) C 2- C 3 0.00858 0.60951 95. BD*( 1) C 2- H 12 0.00774 0.51758 96. BD*( 1) C 3- C 4 0.00768 0.62002 97. BD*( 1) C 3- H 13 0.00769 0.51654 98. BD*( 1) C 4- C 5 0.00727 0.62566 99. BD*( 1) C 4- H 14 0.00747 0.53479 100. BD*( 1) C 5- H 15 0.00935 0.54430 119. 3C*( 1) C 1- C 4- C 5 0.07924 0.18492 121. RY ( 1) C 1 0.00201 1.83737 122. RY ( 2) C 1 0.00150 1.93952 123. RY ( 3) C 1 0.00135 1.52244 124. RY ( 4) C 1 0.00059 2.51655 125. RY ( 5) C 1 0.00037 2.44817 126. RY ( 6) C 1 0.00023 5.04113 127. RY ( 7) C 1 0.00015 2.42736 128. RY ( 8) C 1 0.00009 3.23114 129. RY ( 9) C 1 0.00009 2.63175 130. RY (10) C 1 0.00004 2.98963 131. RY (11) C 1 0.00003 3.16153 132. RY (12) C 1 0.00002 3.21006 133. RY (13) C 1 0.00001 4.41866 134. RY (14) C 1 0.00001 3.20635 135. RY (15) C 1 0.00001 5.12607 136. RY (16) C 1 0.00001 4.91016 137. RY (17) C 1 0.00000 4.98447 138. RY (18) C 1 0.00000 3.68237 139. RY (19) C 1 0.00000 6.06912 140. RY (20) C 1 0.00000 6.58850 141. RY (21) C 1 0.00000 7.49994 142. RY (22) C 1 0.00000 6.64621 143. RY (23) C 1 0.00000 6.80541 144. RY (24) C 1 0.00000 6.10529 145. RY (25) C 1 0.00000 9.40448 146. RY (26) C 1 0.00000 5.07996 147. RY (27) C 1 0.00000 6.16027 148. RY (28) C 1 0.00000 4.82925 149. RY (29) C 1 0.00000 5.62183 150. RY (30) C 1 0.00000 5.32159 151. RY (31) C 1 0.00000 5.46471 152. RY (32) C 1 0.00000 4.72922 153. RY (33) C 1 0.00000 5.04990 154. RY (34) C 1 0.00000 4.74896 155. RY (35) C 1 0.00000 4.67430 156. RY (36) C 1 0.00000 4.04996 157. RY (37) C 1 0.00000 3.66561 158. RY (38) C 1 0.00000 5.45237 159. RY (39) C 1 0.00000 59.51420 160. RY (40) C 1 0.00000 55.81323 161. RY (41) C 1 0.00000 11.08207 162. RY (42) C 1 0.00000 20.18056 163. RY (43) C 1 0.00000 7.26616 164. RY (44) C 1 0.00000 7.05463 165. RY (45) C 1 0.00000 6.58392 166. RY (46) C 1 0.00000 7.78137 167. RY (47) C 1 0.00000 7.76171 168. RY (48) C 1 0.00000 6.38095 169. RY (49) C 1 0.00000 9.59459 170. RY (50) C 1 0.00000 8.61835 171. RY (51) C 1 0.00000 8.18864 172. RY (52) C 1 0.00000 7.26045 173. RY ( 1) C 2 0.00178 2.01932 174. RY ( 2) C 2 0.00132 1.74519 175. RY ( 3) C 2 0.00087 1.31079 176. RY ( 4) C 2 0.00036 2.94826 177. RY ( 5) C 2 0.00030 2.12587 178. RY ( 6) C 2 0.00022 4.92128 179. RY ( 7) C 2 0.00014 3.06702 180. RY ( 8) C 2 0.00006 2.22126 181. RY ( 9) C 2 0.00004 3.77556 182. RY (10) C 2 0.00002 2.72136 183. RY (11) C 2 0.00002 2.57455 184. RY (12) C 2 0.00001 2.04192 185. RY (13) C 2 0.00001 4.32699 186. RY (14) C 2 0.00001 4.44760 187. RY (15) C 2 0.00001 4.10324 188. RY (16) C 2 0.00000 6.29666 189. RY (17) C 2 0.00000 6.76334 190. RY (18) C 2 0.00000 8.05824 191. RY (19) C 2 0.00000 5.84701 192. RY (20) C 2 0.00000 7.71391 193. RY (21) C 2 0.00000 7.83538 194. RY (22) C 2 0.00000 9.57389 195. RY (23) C 2 0.00000 5.66940 196. RY (24) C 2 0.00000 4.80102 197. RY (25) C 2 0.00000 4.52397 198. RY (26) C 2 0.00000 5.53214 199. RY (27) C 2 0.00000 4.62263 200. RY (28) C 2 0.00000 5.23315 201. RY (29) C 2 0.00000 4.57244 202. RY (30) C 2 0.00000 4.90229 203. RY (31) C 2 0.00000 6.35996 204. RY (32) C 2 0.00000 3.79692 205. RY (33) C 2 0.00000 4.52859 206. RY (34) C 2 0.00000 3.97663 207. RY (35) C 2 0.00000 3.96534 208. RY (36) C 2 0.00000 5.42666 209. RY (37) C 2 0.00000 5.44135 210. RY (38) C 2 0.00000 4.83975 211. RY (39) C 2 0.00000 105.75089 212. RY (40) C 2 0.00000 7.17911 213. RY (41) C 2 0.00000 7.68705 214. RY (42) C 2 0.00000 7.21052 215. RY (43) C 2 0.00000 15.83393 216. RY (44) C 2 0.00000 13.36530 217. RY (45) C 2 0.00000 9.28766 218. RY (46) C 2 0.00000 7.58606 219. RY (47) C 2 0.00000 7.33697 220. RY (48) C 2 0.00000 7.04534 221. RY (49) C 2 0.00000 6.63442 222. RY (50) C 2 0.00000 7.43126 223. RY (51) C 2 0.00000 11.91228 224. RY (52) C 2 0.00000 7.37807 225. RY ( 1) C 3 0.00180 2.00049 226. RY ( 2) C 3 0.00137 1.74097 227. RY ( 3) C 3 0.00085 1.30926 228. RY ( 4) C 3 0.00035 2.97316 229. RY ( 5) C 3 0.00028 2.30252 230. RY ( 6) C 3 0.00022 4.81155 231. RY ( 7) C 3 0.00013 2.94724 232. RY ( 8) C 3 0.00007 2.34342 233. RY ( 9) C 3 0.00004 3.17656 234. RY (10) C 3 0.00003 2.73766 235. RY (11) C 3 0.00002 2.07423 236. RY (12) C 3 0.00002 3.03860 237. RY (13) C 3 0.00001 4.76487 238. RY (14) C 3 0.00001 3.79464 239. RY (15) C 3 0.00001 4.19375 240. RY (16) C 3 0.00000 6.53497 241. RY (17) C 3 0.00000 6.22203 242. RY (18) C 3 0.00000 7.21739 243. RY (19) C 3 0.00000 7.47740 244. RY (20) C 3 0.00000 6.84008 245. RY (21) C 3 0.00000 6.86952 246. RY (22) C 3 0.00000 7.76022 247. RY (23) C 3 0.00000 7.63384 248. RY (24) C 3 0.00000 5.56695 249. RY (25) C 3 0.00000 4.00662 250. RY (26) C 3 0.00000 4.62278 251. RY (27) C 3 0.00000 5.17798 252. RY (28) C 3 0.00000 5.93030 253. RY (29) C 3 0.00000 5.40814 254. RY (30) C 3 0.00000 5.43775 255. RY (31) C 3 0.00000 5.74672 256. RY (32) C 3 0.00000 4.40901 257. RY (33) C 3 0.00000 3.56448 258. RY (34) C 3 0.00000 4.66280 259. RY (35) C 3 0.00000 5.66128 260. RY (36) C 3 0.00000 4.29787 261. RY (37) C 3 0.00000 5.32601 262. RY (38) C 3 0.00000 3.93955 263. RY (39) C 3 0.00000 94.62724 264. RY (40) C 3 0.00000 23.77470 265. RY (41) C 3 0.00000 7.19340 266. RY (42) C 3 0.00000 7.65945 267. RY (43) C 3 0.00000 6.79487 268. RY (44) C 3 0.00000 11.30650 269. RY (45) C 3 0.00000 10.20091 270. RY (46) C 3 0.00000 7.71729 271. RY (47) C 3 0.00000 6.71082 272. RY (48) C 3 0.00000 6.99572 273. RY (49) C 3 0.00000 14.79414 274. RY (50) C 3 0.00000 8.92402 275. RY (51) C 3 0.00000 7.96093 276. RY (52) C 3 0.00000 7.39692 277. RY ( 1) C 4 0.00201 1.87027 278. RY ( 2) C 4 0.00153 1.85656 279. RY ( 3) C 4 0.00132 1.54602 280. RY ( 4) C 4 0.00061 2.44453 281. RY ( 5) C 4 0.00035 2.54264 282. RY ( 6) C 4 0.00023 4.85087 283. RY ( 7) C 4 0.00017 2.73347 284. RY ( 8) C 4 0.00010 2.54236 285. RY ( 9) C 4 0.00008 3.33508 286. RY (10) C 4 0.00005 3.65518 287. RY (11) C 4 0.00003 2.38161 288. RY (12) C 4 0.00002 3.36217 289. RY (13) C 4 0.00002 3.85935 290. RY (14) C 4 0.00001 2.80962 291. RY (15) C 4 0.00001 5.46146 292. RY (16) C 4 0.00000 5.00947 293. RY (17) C 4 0.00000 4.83974 294. RY (18) C 4 0.00001 5.27715 295. RY (19) C 4 0.00000 6.03458 296. RY (20) C 4 0.00000 6.96302 297. RY (21) C 4 0.00000 6.52975 298. RY (22) C 4 0.00000 7.90919 299. RY (23) C 4 0.00000 6.55260 300. RY (24) C 4 0.00000 8.28488 301. RY (25) C 4 0.00000 6.62981 302. RY (26) C 4 0.00000 6.65264 303. RY (27) C 4 0.00000 6.28996 304. RY (28) C 4 0.00000 5.32538 305. RY (29) C 4 0.00000 4.75373 306. RY (30) C 4 0.00000 5.01494 307. RY (31) C 4 0.00000 3.87613 308. RY (32) C 4 0.00000 4.50680 309. RY (33) C 4 0.00000 4.89240 310. RY (34) C 4 0.00000 4.53438 311. RY (35) C 4 0.00000 4.26954 312. RY (36) C 4 0.00000 3.60277 313. RY (37) C 4 0.00000 3.59663 314. RY (38) C 4 0.00000 6.02725 315. RY (39) C 4 0.00000 102.83970 316. RY (40) C 4 0.00000 15.47002 317. RY (41) C 4 0.00000 16.52306 318. RY (42) C 4 0.00000 8.53950 319. RY (43) C 4 0.00000 6.67563 320. RY (44) C 4 0.00000 7.44691 321. RY (45) C 4 0.00000 8.26542 322. RY (46) C 4 0.00000 10.69883 323. RY (47) C 4 0.00000 6.83719 324. RY (48) C 4 0.00000 7.04321 325. RY (49) C 4 0.00000 7.78257 326. RY (50) C 4 0.00000 10.06615 327. RY (51) C 4 0.00000 7.48325 328. RY (52) C 4 0.00000 8.03098 329. RY ( 1) C 5 0.00201 1.95862 330. RY ( 2) C 5 0.00146 1.59641 331. RY ( 3) C 5 0.00072 1.48334 332. RY ( 4) C 5 0.00040 2.68820 333. RY ( 5) C 5 0.00037 2.03029 334. RY ( 6) C 5 0.00026 2.43376 335. RY ( 7) C 5 0.00024 4.69005 336. RY ( 8) C 5 0.00015 2.64497 337. RY ( 9) C 5 0.00012 2.52064 338. RY (10) C 5 0.00006 3.35225 339. RY (11) C 5 0.00004 2.74384 340. RY (12) C 5 0.00003 3.10036 341. RY (13) C 5 0.00002 5.53901 342. RY (14) C 5 0.00001 3.71125 343. RY (15) C 5 0.00001 4.25893 344. RY (16) C 5 0.00001 3.76761 345. RY (17) C 5 0.00001 5.06461 346. RY (18) C 5 0.00000 5.15214 347. RY (19) C 5 0.00000 6.52803 348. RY (20) C 5 0.00000 3.82149 349. RY (21) C 5 0.00000 7.35710 350. RY (22) C 5 0.00000 7.57057 351. RY (23) C 5 0.00000 7.74306 352. RY (24) C 5 0.00000 5.95022 353. RY (25) C 5 0.00000 6.69911 354. RY (26) C 5 0.00000 5.83599 355. RY (27) C 5 0.00000 6.20022 356. RY (28) C 5 0.00000 5.16695 357. RY (29) C 5 0.00000 5.43649 358. RY (30) C 5 0.00000 6.58348 359. RY (31) C 5 0.00000 7.25322 360. RY (32) C 5 0.00000 4.48077 361. RY (33) C 5 0.00000 5.22245 362. RY (34) C 5 0.00000 4.07074 363. RY (35) C 5 0.00000 4.50704 364. RY (36) C 5 0.00000 4.48209 365. RY (37) C 5 0.00000 5.20776 366. RY (38) C 5 0.00000 4.62473 367. RY (39) C 5 0.00000 115.53433 368. RY (40) C 5 0.00000 7.00577 369. RY (41) C 5 0.00000 13.78674 370. RY (42) C 5 0.00000 7.21405 371. RY (43) C 5 0.00000 7.90702 372. RY (44) C 5 0.00000 8.91094 373. RY (45) C 5 0.00000 8.99505 374. RY (46) C 5 0.00000 11.35346 375. RY (47) C 5 0.00000 7.08608 376. RY (48) C 5 0.00000 7.56033 377. RY (49) C 5 0.00000 6.93653 378. RY (50) C 5 0.00000 7.98346 379. RY (51) C 5 0.00000 6.85659 380. RY (52) C 5 0.00000 6.97213 641. RY ( 1) H 11 0.00035 1.75617 642. RY ( 2) H 11 0.00027 2.73013 643. RY ( 3) H 11 0.00018 3.32403 644. RY ( 4) H 11 0.00009 3.07900 645. RY ( 5) H 11 0.00005 3.02414 646. RY ( 6) H 11 0.00002 4.09060 647. RY ( 7) H 11 0.00001 5.86116 648. RY ( 8) H 11 0.00000 5.40839 649. RY ( 9) H 11 0.00000 5.78639 650. RY (10) H 11 0.00000 6.05458 651. RY (11) H 11 0.00000 8.40828 652. RY (12) H 11 0.00000 7.96658 653. RY (13) H 11 0.00000 7.45358 654. RY (14) H 11 0.00000 8.01950 655. RY (15) H 11 0.00000 7.33316 656. RY (16) H 11 0.00000 6.80495 657. RY (17) H 11 0.00000 7.86887 658. RY (18) H 11 0.00000 6.15206 659. RY (19) H 11 0.00000 6.97311 660. RY (20) H 11 0.00000 6.27903 661. RY (21) H 11 0.00000 7.33279 662. RY (22) H 11 0.00000 5.19668 663. RY (23) H 11 0.00000 4.59306 664. RY (24) H 11 0.00000 9.26398 665. RY (25) H 11 0.00000 8.88523 666. RY (26) H 11 0.00000 9.23241 667. RY (27) H 11 0.00000 8.05840 668. RY (28) H 11 0.00000 8.22209 669. RY (29) H 11 0.00000 8.82118 670. RY ( 1) H 12 0.00032 2.28708 671. RY ( 2) H 12 0.00021 2.75434 672. RY ( 3) H 12 0.00017 3.53471 673. RY ( 4) H 12 0.00008 2.78807 674. RY ( 5) H 12 0.00006 2.55620 675. RY ( 6) H 12 0.00001 5.83111 676. RY ( 7) H 12 0.00001 4.21462 677. RY ( 8) H 12 0.00000 5.62184 678. RY ( 9) H 12 0.00000 6.35054 679. RY (10) H 12 0.00000 5.42884 680. RY (11) H 12 0.00000 7.28328 681. RY (12) H 12 0.00000 7.82699 682. RY (13) H 12 0.00000 8.17998 683. RY (14) H 12 0.00000 7.59220 684. RY (15) H 12 0.00000 7.66525 685. RY (16) H 12 0.00000 7.19498 686. RY (17) H 12 0.00000 5.81809 687. RY (18) H 12 0.00000 7.88987 688. RY (19) H 12 0.00000 9.47454 689. RY (20) H 12 0.00000 4.67027 690. RY (21) H 12 0.00000 6.78757 691. RY (22) H 12 0.00000 5.17346 692. RY (23) H 12 0.00000 4.54719 693. RY (24) H 12 0.00000 8.54215 694. RY (25) H 12 0.00000 7.59858 695. RY (26) H 12 0.00000 9.55521 696. RY (27) H 12 0.00000 8.37016 697. RY (28) H 12 0.00000 8.74533 698. RY (29) H 12 0.00000 9.70756 699. RY ( 1) H 13 0.00032 2.32764 700. RY ( 2) H 13 0.00021 2.76168 701. RY ( 3) H 13 0.00017 3.53410 702. RY ( 4) H 13 0.00008 2.77329 703. RY ( 5) H 13 0.00005 2.57058 704. RY ( 6) H 13 0.00001 6.65652 705. RY ( 7) H 13 0.00001 3.26044 706. RY ( 8) H 13 0.00000 5.84593 707. RY ( 9) H 13 0.00000 5.72774 708. RY (10) H 13 0.00000 5.41974 709. RY (11) H 13 0.00000 7.24686 710. RY (12) H 13 0.00000 7.97168 711. RY (13) H 13 0.00000 7.55722 712. RY (14) H 13 0.00000 8.00754 713. RY (15) H 13 0.00000 7.11372 714. RY (16) H 13 0.00000 6.06581 715. RY (17) H 13 0.00000 7.60061 716. RY (18) H 13 0.00000 10.16857 717. RY (19) H 13 0.00000 4.33538 718. RY (20) H 13 0.00000 4.78512 719. RY (21) H 13 0.00000 7.71593 720. RY (22) H 13 0.00000 4.25766 721. RY (23) H 13 0.00000 8.83953 722. RY (24) H 13 0.00000 8.88331 723. RY (25) H 13 0.00000 9.40790 724. RY (26) H 13 0.00000 7.38080 725. RY (27) H 13 0.00000 8.59838 726. RY (28) H 13 0.00000 8.68787 727. RY (29) H 13 0.00000 8.49285 728. RY ( 1) H 14 0.00048 1.51125 729. RY ( 2) H 14 0.00026 2.86025 730. RY ( 3) H 14 0.00019 3.14072 731. RY ( 4) H 14 0.00010 3.03828 732. RY ( 5) H 14 0.00004 3.47557 733. RY ( 6) H 14 0.00002 4.08573 734. RY ( 7) H 14 0.00001 5.58929 735. RY ( 8) H 14 0.00001 5.23852 736. RY ( 9) H 14 0.00000 5.55726 737. RY (10) H 14 0.00000 5.82187 738. RY (11) H 14 0.00000 9.84150 739. RY (12) H 14 0.00000 8.07875 740. RY (13) H 14 0.00000 8.19437 741. RY (14) H 14 0.00000 7.23210 742. RY (15) H 14 0.00000 6.78898 743. RY (16) H 14 0.00000 7.32930 744. RY (17) H 14 0.00000 7.90996 745. RY (18) H 14 0.00000 7.08979 746. RY (19) H 14 0.00000 6.80243 747. RY (20) H 14 0.00000 5.51387 748. RY (21) H 14 0.00000 9.05797 749. RY (22) H 14 0.00000 3.69263 750. RY (23) H 14 0.00000 5.24525 751. RY (24) H 14 0.00000 9.19111 752. RY (25) H 14 0.00000 9.19933 753. RY (26) H 14 0.00000 8.34659 754. RY (27) H 14 0.00000 8.31658 755. RY (28) H 14 0.00000 8.08004 756. RY (29) H 14 0.00000 7.69207 757. RY ( 1) H 15 0.00088 1.60925 758. RY ( 2) H 15 0.00028 3.03163 759. RY ( 3) H 15 0.00023 2.99007 760. RY ( 4) H 15 0.00019 3.06319 761. RY ( 5) H 15 0.00003 4.69308 762. RY ( 6) H 15 0.00002 5.82614 763. RY ( 7) H 15 0.00002 4.71321 764. RY ( 8) H 15 0.00001 4.99440 765. RY ( 9) H 15 0.00001 5.37635 766. RY (10) H 15 0.00000 4.66803 767. RY (11) H 15 0.00000 4.87295 768. RY (12) H 15 0.00000 7.73599 769. RY (13) H 15 0.00000 7.78747 770. RY (14) H 15 0.00000 7.98996 771. RY (15) H 15 0.00000 8.39838 772. RY (16) H 15 0.00000 7.26575 773. RY (17) H 15 0.00000 7.55900 774. RY (18) H 15 0.00000 9.20803 775. RY (19) H 15 0.00000 5.04444 776. RY (20) H 15 0.00000 4.63573 777. RY (21) H 15 0.00000 6.87883 778. RY (22) H 15 0.00000 7.03849 779. RY (23) H 15 0.00000 7.38547 780. RY (24) H 15 0.00000 8.78313 781. RY (25) H 15 0.00000 8.35290 782. RY (26) H 15 0.00000 9.64129 783. RY (27) H 15 0.00000 9.14740 784. RY (28) H 15 0.00000 8.35843 785. RY (29) H 15 0.00000 7.60248 ------------------------------- Total Lewis 17.55051 ( 98.9154%) Valence non-Lewis 0.15745 ( 0.8874%) Rydberg non-Lewis 0.03499 ( 0.1972%) ------------------------------- Total unit 1 17.74295 (100.0000%) Charge unit 1 -0.24295 Molecular unit 2 (C5H5) ------ Lewis -------------------------------------- 6. CR ( 1) C 6 0.99999 -10.07103 7. CR ( 1) C 7 0.99999 -10.07611 8. CR ( 1) C 8 0.99999 -10.07766 9. CR ( 1) C 9 0.99999 -10.07791 10. CR ( 1) C 10 0.99999 -10.07658 65. BD ( 1) C 6- C 7 0.98032 -0.42796 90(r),1238(r),107(v),110(v) 486(v),118(r),591(v),112(r) 787(v),816(v),590(v),113(r) 1239(r),589(v),106(v) 1240(r),117(r),1286(r) 1296(r),1237(r),1255(r) 1241(r),1260(r),1244(r) 1298(r),1242(r),1281(r) 1284(r) 66. BD ( 1) C 6- C 10 0.98005 -0.42734 90(r),1238(r),109(v),105(v) 538(v),113(r),118(r),435(v) 903(v),117(r),434(v),787(v) 433(v),1239(r),106(v) 104(v),543(v),1240(r) 1237(r),1286(r),1241(r) 112(r),1245(r),1236(r) 1255(r),1307(r),1260(r) 1302(r),1283(r),1281(r) 1246(r),1261(r) 67. BD ( 1) C 6- H 16 0.98374 -0.34538 90(r),89(r),104(v),108(v) 1239(r),433(v),589(v) 598(v),384(g),442(v),594(v) 438(v),1238(r),118(r) 113(r),1286(r),1294(r) 1257(r),1249(r),1281(r) 1254(r) 68. BD ( 1) C 7- C 8 0.98008 -0.43003 90(r),89(r),87(g),118(r) 109(v),103(v),1238(r) 382(v),538(v),113(r),120(g) 117(r),381(v),537(v),845(v) 112(r),816(v),102(v) 1237(r),1241(r),1239(r) 1236(r),1251(r),1270(r) 1309(r),1245(r),1242(r) 1246(r) 69. BD ( 1) C 7- H 17 0.98270 -0.35197 118(r),90(r),106(v),102(v) 485(v),381(v),113(r),386(v) 490(v),437(g),1238(r) 493(v),1237(r),1241(r) 117(r),1240(r),111(r) 1239(r),1261(r),1266(r) 1298(r),1242(r),1277(r) 89(r),1286(r) 70. BD ( 1) C 8- C 9 0.97879 -0.42835 89(r),88(g),87(g),90(r) 110(v),105(v),1238(r) 1239(r),434(v),590(v) 874(v),113(r),117(r),118(r) 1246(r),119(r),1273(r) 1240(r),112(r),1248(r) 1294(r) 71. BD ( 1) C 8- H 18 0.98356 -0.35915 117(r),89(r),108(v),101(v) 433(v),537(v),87(g),113(r) 1239(r),1236(r),542(v) 90(r),438(v),1238(r) 1256(r),118(r),1257(r) 1246(r),1286(r),1294(r) 1267(r),1273(r),1308(r) 1237(r) 72. BD ( 1) C 9- C 10 0.97991 -0.42957 90(r),89(r),88(g),113(r) 107(v),103(v),1238(r) 382(v),486(v),118(r),120(g) 112(r),485(v),874(v),903(v) 381(v),1237(r),101(v) 117(r),1239(r),1241(r) 1236(r),119(r),1267(r) 1252(r),1244(r),1246(r) 73. BD ( 1) C 9- H 19 0.98336 -0.35907 112(r),89(r),104(v),102(v) 485(v),118(r),589(v),88(g) 1239(r),490(v),594(v) 1236(r),90(r),494(v) 1238(r),1240(r),1256(r) 1257(r),1246(r),1309(r) 1286(r),1237(r),119(r) 1294(r),1268(r) 74. BD ( 1) C 10- H 20 0.98236 -0.35252 113(r),90(r),106(v),101(v) 537(v),381(v),118(r),112(r) 386(v),542(v),603(g),593(g) 545(v),1241(r),1237(r) 1238(r),1240(r),116(r) 1267(r),1261(r),1286(r) 1298(r),1239(r) 84. 3C ( 1) C 6- C 7- C 10 0.94711 -0.18620 88(v),87(v),90(r),89(r) 120(g),1255(r),111(r) 1246(r),1240(r),116(r) 1286(r),117(r),1281(r) 113(r),1309(r),1308(r) 1248(r),1247(r),1283(r) 1258(r),112(r),1313(r) 1298(r),1280(r),1304(r) 1264(r),118(r),1294(r) 1302(r) 86. 3Cn( 1) C 6- C 7- C 10 0.63707 -0.00605 87(v),88(v),113(r),118(r) 385(g),590(g),434(g),435(g) 591(g),108(g),487(v),104(g) 539(v),112(r),102(g),396(g) 101(g),415(g),540(v),111(r) 488(v),1241(r),444(g) 597(g),441(g),600(g),116(r) 117(r),1236(r),1256(r) 1252(r),1237(r),1243(r) 1250(r),1251(r),1265(r) 1267(r) ------ non-Lewis ---------------------------------- 87. LV ( 1) C 8 0.56759 -0.01640 88. LV ( 1) C 9 0.56792 -0.01720 101. BD*( 1) C 6- C 7 0.00685 0.61570 102. BD*( 1) C 6- C 10 0.00685 0.61390 103. BD*( 1) C 6- H 16 0.00702 0.52722 104. BD*( 1) C 7- C 8 0.00749 0.61335 105. BD*( 1) C 7- H 17 0.00765 0.52643 106. BD*( 1) C 8- C 9 0.00869 0.60690 107. BD*( 1) C 8- H 18 0.00760 0.51305 108. BD*( 1) C 9- C 10 0.00767 0.61106 109. BD*( 1) C 9- H 19 0.00762 0.51304 110. BD*( 1) C 10- H 20 0.00748 0.52396 120. 3C*( 1) C 6- C 7- C 10 0.07800 0.17402 381. RY ( 1) C 6 0.00206 1.85272 382. RY ( 2) C 6 0.00148 1.62004 383. RY ( 3) C 6 0.00084 1.42893 384. RY ( 4) C 6 0.00047 1.93242 385. RY ( 5) C 6 0.00040 2.80823 386. RY ( 6) C 6 0.00023 4.89751 387. RY ( 7) C 6 0.00016 2.39411 388. RY ( 8) C 6 0.00008 3.35066 389. RY ( 9) C 6 0.00007 3.08003 390. RY (10) C 6 0.00004 2.43807 391. RY (11) C 6 0.00004 2.26814 392. RY (12) C 6 0.00002 3.62239 393. RY (13) C 6 0.00002 3.89353 394. RY (14) C 6 0.00001 5.54697 395. RY (15) C 6 0.00001 5.02512 396. RY (16) C 6 0.00001 3.93484 397. RY (17) C 6 0.00000 6.19968 398. RY (18) C 6 0.00000 7.83940 399. RY (19) C 6 0.00000 6.77298 400. RY (20) C 6 0.00000 5.96075 401. RY (21) C 6 0.00000 5.65128 402. RY (22) C 6 0.00000 6.39567 403. RY (23) C 6 0.00000 6.21540 404. RY (24) C 6 0.00000 5.89837 405. RY (25) C 6 0.00000 6.52456 406. RY (26) C 6 0.00000 5.90597 407. RY (27) C 6 0.00000 6.53931 408. RY (28) C 6 0.00000 5.67397 409. RY (29) C 6 0.00000 3.85668 410. RY (30) C 6 0.00000 5.77658 411. RY (31) C 6 0.00000 5.00918 412. RY (32) C 6 0.00000 5.45796 413. RY (33) C 6 0.00000 5.02953 414. RY (34) C 6 0.00000 5.19501 415. RY (35) C 6 0.00000 4.35994 416. RY (36) C 6 0.00000 4.32696 417. RY (37) C 6 0.00000 4.66214 418. RY (38) C 6 0.00000 5.58135 419. RY (39) C 6 0.00000 3.99398 420. RY (40) C 6 0.00000 99.29469 421. RY (41) C 6 0.00000 21.68274 422. RY (42) C 6 0.00000 10.50611 423. RY (43) C 6 0.00000 7.45001 424. RY (44) C 6 0.00000 7.00187 425. RY (45) C 6 0.00000 11.31842 426. RY (46) C 6 0.00000 7.69900 427. RY (47) C 6 0.00000 7.40037 428. RY (48) C 6 0.00000 7.08313 429. RY (49) C 6 0.00000 10.87044 430. RY (50) C 6 0.00000 7.77548 431. RY (51) C 6 0.00000 6.71126 432. RY (52) C 6 0.00000 12.81234 433. RY ( 1) C 7 0.00191 1.92626 434. RY ( 2) C 7 0.00153 1.74695 435. RY ( 3) C 7 0.00125 1.60415 436. RY ( 4) C 7 0.00059 2.51494 437. RY ( 5) C 7 0.00035 2.64960 438. RY ( 6) C 7 0.00024 4.86199 439. RY ( 7) C 7 0.00014 2.33268 440. RY ( 8) C 7 0.00011 2.72275 441. RY ( 9) C 7 0.00007 3.42748 442. RY (10) C 7 0.00005 3.25954 443. RY (11) C 7 0.00003 1.97342 444. RY (12) C 7 0.00003 2.83659 445. RY (13) C 7 0.00001 4.06348 446. RY (14) C 7 0.00001 5.18858 447. RY (15) C 7 0.00001 5.48866 448. RY (16) C 7 0.00001 3.62812 449. RY (17) C 7 0.00000 5.05011 450. RY (18) C 7 0.00000 4.19196 451. RY (19) C 7 0.00000 6.80110 452. RY (20) C 7 0.00000 8.22591 453. RY (21) C 7 0.00000 6.86851 454. RY (22) C 7 0.00000 7.30770 455. RY (23) C 7 0.00000 6.99499 456. RY (24) C 7 0.00000 7.53744 457. RY (25) C 7 0.00000 6.02996 458. RY (26) C 7 0.00000 6.81364 459. RY (27) C 7 0.00000 6.06903 460. RY (28) C 7 0.00000 4.39804 461. RY (29) C 7 0.00000 6.49701 462. RY (30) C 7 0.00000 6.03152 463. RY (31) C 7 0.00000 4.27500 464. RY (32) C 7 0.00000 5.38254 465. RY (33) C 7 0.00000 4.54559 466. RY (34) C 7 0.00000 4.55536 467. RY (35) C 7 0.00000 4.72039 468. RY (36) C 7 0.00000 4.50468 469. RY (37) C 7 0.00000 3.92011 470. RY (38) C 7 0.00000 4.85772 471. RY (39) C 7 0.00000 4.03335 472. RY (40) C 7 0.00000 104.57455 473. RY (41) C 7 0.00000 7.82133 474. RY (42) C 7 0.00000 14.18717 475. RY (43) C 7 0.00000 6.53650 476. RY (44) C 7 0.00000 13.52691 477. RY (45) C 7 0.00000 10.96265 478. RY (46) C 7 0.00000 8.34371 479. RY (47) C 7 0.00000 13.44654 480. RY (48) C 7 0.00000 7.85785 481. RY (49) C 7 0.00000 7.18575 482. RY (50) C 7 0.00000 6.64386 483. RY (51) C 7 0.00000 7.81158 484. RY (52) C 7 0.00000 6.92602 485. RY ( 1) C 8 0.00182 1.92622 486. RY ( 2) C 8 0.00140 1.70174 487. RY ( 3) C 8 0.00091 1.38574 488. RY ( 4) C 8 0.00051 1.97793 489. RY ( 5) C 8 0.00036 3.00979 490. RY ( 6) C 8 0.00022 4.95979 491. RY ( 7) C 8 0.00014 3.20558 492. RY ( 8) C 8 0.00007 2.26424 493. RY ( 9) C 8 0.00005 3.57812 494. RY (10) C 8 0.00003 2.63070 495. RY (11) C 8 0.00002 2.48206 496. RY (12) C 8 0.00001 2.79963 497. RY (13) C 8 0.00001 4.62528 498. RY (14) C 8 0.00001 3.68757 499. RY (15) C 8 0.00001 4.05892 500. RY (16) C 8 0.00001 4.07681 501. RY (17) C 8 0.00000 7.06665 502. RY (18) C 8 0.00000 7.73791 503. RY (19) C 8 0.00000 6.78463 504. RY (20) C 8 0.00000 6.78172 505. RY (21) C 8 0.00000 7.35407 506. RY (22) C 8 0.00000 6.75931 507. RY (23) C 8 0.00000 7.22853 508. RY (24) C 8 0.00000 7.46867 509. RY (25) C 8 0.00000 5.29865 510. RY (26) C 8 0.00000 5.14992 511. RY (27) C 8 0.00000 4.55240 512. RY (28) C 8 0.00000 6.05365 513. RY (29) C 8 0.00000 5.32398 514. RY (30) C 8 0.00000 4.39983 515. RY (31) C 8 0.00000 4.68353 516. RY (32) C 8 0.00000 4.60297 517. RY (33) C 8 0.00000 4.90030 518. RY (34) C 8 0.00000 4.99844 519. RY (35) C 8 0.00000 4.47823 520. RY (36) C 8 0.00000 5.32728 521. RY (37) C 8 0.00000 4.30657 522. RY (38) C 8 0.00000 4.84915 523. RY (39) C 8 0.00000 22.70677 524. RY (40) C 8 0.00000 70.95236 525. RY (41) C 8 0.00000 9.19941 526. RY (42) C 8 0.00000 27.49311 527. RY (43) C 8 0.00000 6.86750 528. RY (44) C 8 0.00000 13.63240 529. RY (45) C 8 0.00000 7.05647 530. RY (46) C 8 0.00000 12.42988 531. RY (47) C 8 0.00000 10.68181 532. RY (48) C 8 0.00000 7.22971 533. RY (49) C 8 0.00000 11.71159 534. RY (50) C 8 0.00000 7.35792 535. RY (51) C 8 0.00000 7.18306 536. RY (52) C 8 0.00000 7.13230 537. RY ( 1) C 9 0.00180 1.91771 538. RY ( 2) C 9 0.00136 1.69978 539. RY ( 3) C 9 0.00094 1.44218 540. RY ( 4) C 9 0.00053 1.94035 541. RY ( 5) C 9 0.00037 2.97049 542. RY ( 6) C 9 0.00023 4.97082 543. RY ( 7) C 9 0.00014 3.28631 544. RY ( 8) C 9 0.00007 2.08774 545. RY ( 9) C 9 0.00005 3.66498 546. RY (10) C 9 0.00004 2.74499 547. RY (11) C 9 0.00002 2.65461 548. RY (12) C 9 0.00001 2.29151 549. RY (13) C 9 0.00001 4.14618 550. RY (14) C 9 0.00001 4.28997 551. RY (15) C 9 0.00001 4.18600 552. RY (16) C 9 0.00001 4.53945 553. RY (17) C 9 0.00000 7.88446 554. RY (18) C 9 0.00000 6.59221 555. RY (19) C 9 0.00000 7.47881 556. RY (20) C 9 0.00000 7.19580 557. RY (21) C 9 0.00000 7.34892 558. RY (22) C 9 0.00000 7.15153 559. RY (23) C 9 0.00000 6.93921 560. RY (24) C 9 0.00000 7.08981 561. RY (25) C 9 0.00000 6.20188 562. RY (26) C 9 0.00000 4.60586 563. RY (27) C 9 0.00000 4.80483 564. RY (28) C 9 0.00000 4.95696 565. RY (29) C 9 0.00000 5.34977 566. RY (30) C 9 0.00000 4.40816 567. RY (31) C 9 0.00000 4.11548 568. RY (32) C 9 0.00000 3.77890 569. RY (33) C 9 0.00000 5.42970 570. RY (34) C 9 0.00000 5.63718 571. RY (35) C 9 0.00000 4.44874 572. RY (36) C 9 0.00000 3.89770 573. RY (37) C 9 0.00000 4.44312 574. RY (38) C 9 0.00000 5.67281 575. RY (39) C 9 0.00000 96.78144 576. RY (40) C 9 0.00000 8.03769 577. RY (41) C 9 0.00000 6.78864 578. RY (42) C 9 0.00000 7.93229 579. RY (43) C 9 0.00000 20.56692 580. RY (44) C 9 0.00000 6.79314 581. RY (45) C 9 0.00000 7.31051 582. RY (46) C 9 0.00000 10.25494 583. RY (47) C 9 0.00000 16.49752 584. RY (48) C 9 0.00000 8.54392 585. RY (49) C 9 0.00000 7.82031 586. RY (50) C 9 0.00000 7.80736 587. RY (51) C 9 0.00000 7.54768 588. RY (52) C 9 0.00000 8.98400 589. RY ( 1) C 10 0.00189 1.90579 590. RY ( 2) C 10 0.00153 1.74992 591. RY ( 3) C 10 0.00125 1.60179 592. RY ( 4) C 10 0.00064 2.52195 593. RY ( 5) C 10 0.00037 2.49866 594. RY ( 6) C 10 0.00024 4.91254 595. RY ( 7) C 10 0.00014 2.18638 596. RY ( 8) C 10 0.00011 2.91781 597. RY ( 9) C 10 0.00007 3.38142 598. RY (10) C 10 0.00005 3.45850 599. RY (11) C 10 0.00003 1.90735 600. RY (12) C 10 0.00002 2.72677 601. RY (13) C 10 0.00001 4.06078 602. RY (14) C 10 0.00001 5.00176 603. RY (15) C 10 0.00001 5.81693 604. RY (16) C 10 0.00000 7.67665 605. RY (17) C 10 0.00000 9.56827 606. RY (18) C 10 0.00000 9.64814 607. RY (19) C 10 0.00000 6.55907 608. RY (20) C 10 0.00000 6.60268 609. RY (21) C 10 0.00000 7.37406 610. RY (22) C 10 0.00000 6.46552 611. RY (23) C 10 0.00000 6.65156 612. RY (24) C 10 0.00000 6.43781 613. RY (25) C 10 0.00000 4.48826 614. RY (26) C 10 0.00000 6.00275 615. RY (27) C 10 0.00000 6.31343 616. RY (28) C 10 0.00000 5.46848 617. RY (29) C 10 0.00000 5.33908 618. RY (30) C 10 0.00000 4.62160 619. RY (31) C 10 0.00000 4.50623 620. RY (32) C 10 0.00000 5.22598 621. RY (33) C 10 0.00000 3.92139 622. RY (34) C 10 0.00000 3.37331 623. RY (35) C 10 0.00000 4.45974 624. RY (36) C 10 0.00000 3.96285 625. RY (37) C 10 0.00000 5.78867 626. RY (38) C 10 0.00000 4.14486 627. RY (39) C 10 0.00001 3.65429 628. RY (40) C 10 0.00000 108.14945 629. RY (41) C 10 0.00000 7.02014 630. RY (42) C 10 0.00000 7.45693 631. RY (43) C 10 0.00000 12.33924 632. RY (44) C 10 0.00000 10.57997 633. RY (45) C 10 0.00000 11.71462 634. RY (46) C 10 0.00000 7.41909 635. RY (47) C 10 0.00000 10.87554 636. RY (48) C 10 0.00000 7.18149 637. RY (49) C 10 0.00000 6.48339 638. RY (50) C 10 0.00000 8.08194 639. RY (51) C 10 0.00000 6.54968 640. RY (52) C 10 0.00000 6.91866 786. RY ( 1) H 16 0.00037 2.02058 787. RY ( 2) H 16 0.00027 2.88884 788. RY ( 3) H 16 0.00019 3.02162 789. RY ( 4) H 16 0.00007 2.64113 790. RY ( 5) H 16 0.00006 3.24980 791. RY ( 6) H 16 0.00002 3.89055 792. RY ( 7) H 16 0.00001 6.42418 793. RY ( 8) H 16 0.00000 6.21845 794. RY ( 9) H 16 0.00000 5.19058 795. RY (10) H 16 0.00000 8.09581 796. RY (11) H 16 0.00000 8.09557 797. RY (12) H 16 0.00000 7.56526 798. RY (13) H 16 0.00000 8.64082 799. RY (14) H 16 0.00000 7.10034 800. RY (15) H 16 0.00000 7.14284 801. RY (16) H 16 0.00000 7.55195 802. RY (17) H 16 0.00000 5.82282 803. RY (18) H 16 0.00000 6.72998 804. RY (19) H 16 0.00000 6.32204 805. RY (20) H 16 0.00000 7.11781 806. RY (21) H 16 0.00000 4.44266 807. RY (22) H 16 0.00000 4.42062 808. RY (23) H 16 0.00000 8.74441 809. RY (24) H 16 0.00000 9.17785 810. RY (25) H 16 0.00000 8.02803 811. RY (26) H 16 0.00000 9.29194 812. RY (27) H 16 0.00000 9.28428 813. RY (28) H 16 0.00000 7.74039 814. RY (29) H 16 0.00000 7.38683 815. RY ( 1) H 17 0.00037 1.54755 816. RY ( 2) H 17 0.00026 3.24987 817. RY ( 3) H 17 0.00018 3.25138 818. RY ( 4) H 17 0.00008 2.87962 819. RY ( 5) H 17 0.00003 3.82614 820. RY ( 6) H 17 0.00001 3.64432 821. RY ( 7) H 17 0.00001 5.37497 822. RY ( 8) H 17 0.00001 5.43276 823. RY ( 9) H 17 0.00000 6.11626 824. RY (10) H 17 0.00000 5.43681 825. RY (11) H 17 0.00000 7.84210 826. RY (12) H 17 0.00000 7.95830 827. RY (13) H 17 0.00000 7.52618 828. RY (14) H 17 0.00000 7.27131 829. RY (15) H 17 0.00000 7.07971 830. RY (16) H 17 0.00000 7.12471 831. RY (17) H 17 0.00000 8.46634 832. RY (18) H 17 0.00000 5.80382 833. RY (19) H 17 0.00000 5.55465 834. RY (20) H 17 0.00000 7.78175 835. RY (21) H 17 0.00000 5.70018 836. RY (22) H 17 0.00000 4.22407 837. RY (23) H 17 0.00000 9.28206 838. RY (24) H 17 0.00000 8.24692 839. RY (25) H 17 0.00000 9.51083 840. RY (26) H 17 0.00000 7.48839 841. RY (27) H 17 0.00000 9.26574 842. RY (28) H 17 0.00000 7.72421 843. RY (29) H 17 0.00000 8.91097 844. RY ( 1) H 18 0.00034 2.16039 845. RY ( 2) H 18 0.00025 2.69107 846. RY ( 3) H 18 0.00017 3.50022 847. RY ( 4) H 18 0.00008 2.67355 848. RY ( 5) H 18 0.00006 3.07226 849. RY ( 6) H 18 0.00001 5.39237 850. RY ( 7) H 18 0.00001 4.42195 851. RY ( 8) H 18 0.00000 6.12059 852. RY ( 9) H 18 0.00000 5.89300 853. RY (10) H 18 0.00000 5.01073 854. RY (11) H 18 0.00000 7.66192 855. RY (12) H 18 0.00000 7.43860 856. RY (13) H 18 0.00000 7.71421 857. RY (14) H 18 0.00000 8.10059 858. RY (15) H 18 0.00000 7.13184 859. RY (16) H 18 0.00000 7.65381 860. RY (17) H 18 0.00000 5.87671 861. RY (18) H 18 0.00000 10.26067 862. RY (19) H 18 0.00000 4.76096 863. RY (20) H 18 0.00000 4.28549 864. RY (21) H 18 0.00000 8.47854 865. RY (22) H 18 0.00000 3.85334 866. RY (23) H 18 0.00000 9.32598 867. RY (24) H 18 0.00000 8.14362 868. RY (25) H 18 0.00000 7.79849 869. RY (26) H 18 0.00000 8.88648 870. RY (27) H 18 0.00000 8.81799 871. RY (28) H 18 0.00000 8.80594 872. RY (29) H 18 0.00000 8.01511 873. RY ( 1) H 19 0.00035 2.04529 874. RY ( 2) H 19 0.00026 2.69602 875. RY ( 3) H 19 0.00017 3.50675 876. RY ( 4) H 19 0.00008 2.66860 877. RY ( 5) H 19 0.00007 3.10338 878. RY ( 6) H 19 0.00001 6.07574 879. RY ( 7) H 19 0.00001 3.85875 880. RY ( 8) H 19 0.00000 6.19242 881. RY ( 9) H 19 0.00000 6.16280 882. RY (10) H 19 0.00000 5.33241 883. RY (11) H 19 0.00000 7.09137 884. RY (12) H 19 0.00000 8.20580 885. RY (13) H 19 0.00000 7.52585 886. RY (14) H 19 0.00000 8.06108 887. RY (15) H 19 0.00000 7.35249 888. RY (16) H 19 0.00000 6.47426 889. RY (17) H 19 0.00000 6.60630 890. RY (18) H 19 0.00000 9.78486 891. RY (19) H 19 0.00000 4.66484 892. RY (20) H 19 0.00000 5.95801 893. RY (21) H 19 0.00000 6.83942 894. RY (22) H 19 0.00000 3.90029 895. RY (23) H 19 0.00000 8.41763 896. RY (24) H 19 0.00000 7.50328 897. RY (25) H 19 0.00000 9.78916 898. RY (26) H 19 0.00000 9.25628 899. RY (27) H 19 0.00000 8.71082 900. RY (28) H 19 0.00000 8.68276 901. RY (29) H 19 0.00000 7.50480 902. RY ( 1) H 20 0.00031 1.65154 903. RY ( 2) H 20 0.00026 3.20662 904. RY ( 3) H 20 0.00018 3.29167 905. RY ( 4) H 20 0.00008 2.84258 906. RY ( 5) H 20 0.00003 3.17708 907. RY ( 6) H 20 0.00002 3.97565 908. RY ( 7) H 20 0.00001 5.71843 909. RY ( 8) H 20 0.00000 5.50669 910. RY ( 9) H 20 0.00000 5.89694 911. RY (10) H 20 0.00000 5.64070 912. RY (11) H 20 0.00000 8.03207 913. RY (12) H 20 0.00000 7.78852 914. RY (13) H 20 0.00000 7.55821 915. RY (14) H 20 0.00000 7.05315 916. RY (15) H 20 0.00000 7.02785 917. RY (16) H 20 0.00000 7.26680 918. RY (17) H 20 0.00000 7.88013 919. RY (18) H 20 0.00000 5.79602 920. RY (19) H 20 0.00000 6.53727 921. RY (20) H 20 0.00000 8.35624 922. RY (21) H 20 0.00000 4.07589 923. RY (22) H 20 0.00000 4.64598 924. RY (23) H 20 0.00000 9.43882 925. RY (24) H 20 0.00000 8.93302 926. RY (25) H 20 0.00000 9.01922 927. RY (26) H 20 0.00000 8.04861 928. RY (27) H 20 0.00000 8.18559 929. RY (28) H 20 0.00000 7.59098 930. RY (29) H 20 0.00000 9.30819 ------------------------------- Total Lewis 16.39897 ( 92.5338%) Valence non-Lewis 1.28845 ( 7.2703%) Rydberg non-Lewis 0.03472 ( 0.1959%) ------------------------------- Total unit 2 17.72214 (100.0000%) Charge unit 2 -0.22214 Molecular unit 3 (S5Sc) ------ Lewis -------------------------------------- 11. CR ( 1) S 21 1.00000 -87.40091 12. CR ( 2) S 21 1.00000 -8.84295 13. CR ( 3) S 21 1.00000 -5.71357 14. CR ( 4) S 21 1.00000 -5.70706 15. CR ( 5) S 21 1.00000 -5.70532 16. CR ( 1) S 22 1.00000 -87.75133 17. CR ( 2) S 22 1.00000 -8.60871 18. CR ( 3) S 22 1.00000 -5.76725 19. CR ( 4) S 22 1.00000 -5.76128 20. CR ( 5) S 22 1.00000 -5.76714 21. CR ( 1) S 23 1.00000 -87.78174 22. CR ( 2) S 23 1.00000 -8.58741 23. CR ( 3) S 23 1.00000 -5.76794 24. CR ( 4) S 23 1.00000 -5.76688 25. CR ( 5) S 23 1.00000 -5.77507 26. CR ( 1) S 24 1.00000 -87.75991 27. CR ( 2) S 24 1.00000 -8.60151 28. CR ( 3) S 24 1.00000 -5.76779 29. CR ( 4) S 24 1.00000 -5.76431 30. CR ( 5) S 24 1.00000 -5.76553 31. CR ( 1) S 25 1.00000 -87.40200 32. CR ( 2) S 25 1.00000 -8.84232 33. CR ( 3) S 25 1.00000 -5.71357 34. CR ( 4) S 25 1.00000 -5.70710 35. CR ( 5) S 25 1.00000 -5.70605 36. CR ( 1)Sc 26 1.00000 -42.90610 37. CR ( 2)Sc 26 1.00000 -135.68478 38. CR ( 3)Sc 26 0.99999 -2.06359 39. CR ( 4)Sc 26 1.00000 -14.34303 40. CR ( 5)Sc 26 0.99993 -1.18502 88(r),87(r) 41. CR ( 6)Sc 26 1.00000 -14.34267 42. CR ( 7)Sc 26 0.99992 -1.18581 43. CR ( 8)Sc 26 1.00000 -14.34316 44. CR ( 9)Sc 26 0.99993 -1.18446 47. LP ( 1) S 21 0.97158 -0.25152 1236(v),89(v),1238(v) 113(g),118(v),994(v) 1237(v),112(g),88(r),87(r) 94(r),119(r) 48. LP ( 1) S 22 0.99495 -0.37809 112(v),89(r),100(r) 49. LP ( 2) S 22 0.94064 -0.11430 115(v),1053(v),89(r),931(v) 118(r),997(g),1239(r) 1054(v),100(r),88(r),98(r) 50. LP ( 1) S 23 0.99748 -0.38462 51. LP ( 2) S 23 0.94438 -0.13103 116(v),111(v),992(v) 1114(v),1115(v),993(v) 52. LP ( 1) S 24 0.99459 -0.37948 117(v),89(r),87(r) 53. LP ( 2) S 24 0.93991 -0.11355 114(v),89(r),1053(v) 1175(v),113(r),1239(r) 1054(v),87(r),100(r),92(r) 96(r),88(r) 54. LP ( 1) S 25 0.97241 -0.25275 1236(v),1238(v),89(v) 113(v),118(g),1116(v) 117(g),1237(v),87(r),119(r) 88(r),94(r) 75. BD ( 1) S 21- S 22 0.98745 -0.35907 89(v),1236(v),1245(v) 1242(v),114(g),1055(v) 1243(v),1059(v),539(r) 88(r),278(r),333(r),331(r) 540(r),382(r),590(r),336(r) 123(r) 76. BD ( 1) S 21-Sc 26 0.98996 -0.28035 118(g),994(v),113(g) 1236(g),383(r),88(r),120(r) 437(r),333(r),105(r),125(r) 384(r) 77. BD ( 2) S 21-Sc 26 0.94401 -0.08751 114(v),118(g),992(v) 1237(g),111(g),993(v) 113(g),117(g),120(r),383(r) 119(r),87(r),125(r),104(r) 78. BD ( 1) S 22- S 23 0.99484 -0.38631 932(v),1117(v),115(g),89(r) 383(r),539(r) 79. BD ( 1) S 23- S 24 0.99479 -0.38615 1176(v),995(v),114(g),89(r) 487(r),383(r) 80. BD ( 1) S 24- S 25 0.98698 -0.35849 89(v),1236(v),1244(v) 115(g),1242(v),1055(v) 1243(v),487(r),87(r),488(r) 333(r),122(r),337(r),175(r) 330(r) 81. BD ( 1) S 25-Sc 26 0.99031 -0.28100 113(g),1116(v),1236(g) 383(r),87(r),119(r),593(r) 384(r),281(r),110(r),333(r) 173(r) 82. BD ( 2) S 25-Sc 26 0.94263 -0.08758 115(v),113(g),1114(v) 1237(g),116(g),1115(v) 112(g),118(g),119(r),120(r) 383(r),88(r),99(r),280(r) ------ non-Lewis ---------------------------------- 89. LV ( 1)Sc 26 0.14187 0.17107 90. LV ( 2)Sc 26 0.11443 0.36716 111. BD*( 1) S 21- S 22 0.02955 0.20376 112. BD*( 1) S 21-Sc 26 0.05449 0.26639 113. BD*( 2) S 21-Sc 26 0.09700 0.27522 114. BD*( 1) S 22- S 23 0.06882 0.17391 115. BD*( 1) S 23- S 24 0.06992 0.17273 116. BD*( 1) S 24- S 25 0.02880 0.20171 117. BD*( 1) S 25-Sc 26 0.05468 0.26597 118. BD*( 2) S 25-Sc 26 0.09712 0.27557 931. RY ( 1) S 21 0.00324 0.84531 932. RY ( 2) S 21 0.00111 1.29007 933. RY ( 3) S 21 0.00080 1.04378 934. RY ( 4) S 21 0.00054 1.81186 935. RY ( 5) S 21 0.00030 1.54420 936. RY ( 6) S 21 0.00019 1.98319 937. RY ( 7) S 21 0.00012 1.80445 938. RY ( 8) S 21 0.00009 1.71310 939. RY ( 9) S 21 0.00005 2.63017 940. RY (10) S 21 0.00003 1.44623 941. RY (11) S 21 0.00002 2.66232 942. RY (12) S 21 0.00002 1.60615 943. RY (13) S 21 0.00001 2.11189 944. RY (14) S 21 0.00001 2.16627 945. RY (15) S 21 0.00001 2.15996 946. RY (16) S 21 0.00001 2.17880 947. RY (17) S 21 0.00000 1.92662 948. RY (18) S 21 0.00000 4.96155 949. RY (19) S 21 0.00000 9.91241 950. RY (20) S 21 0.00000 7.12001 951. RY (21) S 21 0.00000 4.98481 952. RY (22) S 21 0.00000 4.36668 953. RY (23) S 21 0.00000 6.12375 954. RY (24) S 21 0.00000 3.98088 955. RY (25) S 21 0.00000 5.15248 956. RY (26) S 21 0.00000 5.21724 957. RY (27) S 21 0.00000 3.82403 958. RY (28) S 21 0.00000 4.35684 959. RY (29) S 21 0.00000 4.79088 960. RY (30) S 21 0.00000 4.38755 961. RY (31) S 21 0.00000 4.72009 962. RY (32) S 21 0.00000 4.66561 963. RY (33) S 21 0.00000 4.84013 964. RY (34) S 21 0.00000 4.35368 965. RY (35) S 21 0.00000 4.12959 966. RY (36) S 21 0.00000 2.83631 967. RY (37) S 21 0.00000 4.20618 968. RY (38) S 21 0.00000 4.37261 969. RY (39) S 21 0.00000 4.96103 970. RY (40) S 21 0.00000 4.29597 971. RY (41) S 21 0.00000 4.55880 972. RY (42) S 21 0.00000 3.63075 973. RY (43) S 21 0.00000 3.58934 974. RY (44) S 21 0.00000 4.53177 975. RY (45) S 21 0.00000 3.98672 976. RY (46) S 21 0.00000 3.45519 977. RY (47) S 21 0.00000 3.12396 978. RY (48) S 21 0.00000 3.55896 979. RY (49) S 21 0.00000 95.97565 980. RY (50) S 21 0.00000 283.76472 981. RY (51) S 21 0.00000 103.37075 982. RY (52) S 21 0.00000 58.41452 983. RY (53) S 21 0.00000 10.71439 984. RY (54) S 21 0.00000 16.33909 985. RY (55) S 21 0.00000 14.16871 986. RY (56) S 21 0.00000 18.16499 987. RY (57) S 21 0.00000 20.09609 988. RY (58) S 21 0.00000 6.57325 989. RY (59) S 21 0.00000 8.25659 990. RY (60) S 21 0.00000 9.06641 991. RY (61) S 21 0.00000 5.26409 992. RY ( 1) S 22 0.00888 0.75054 993. RY ( 2) S 22 0.00489 0.74654 994. RY ( 3) S 22 0.00430 0.62427 995. RY ( 4) S 22 0.00141 0.82989 996. RY ( 5) S 22 0.00030 1.89036 997. RY ( 6) S 22 0.00027 1.55973 998. RY ( 7) S 22 0.00025 1.06028 999. RY ( 8) S 22 0.00016 1.56779 1000. RY ( 9) S 22 0.00008 1.64048 1001. RY (10) S 22 0.00004 1.74388 1002. RY (11) S 22 0.00002 2.08550 1003. RY (12) S 22 0.00001 3.37438 1004. RY (13) S 22 0.00001 1.59819 1005. RY (14) S 22 0.00000 4.88026 1006. RY (15) S 22 0.00000 6.95701 1007. RY (16) S 22 0.00000 4.33933 1008. RY (17) S 22 0.00000 4.52577 1009. RY (18) S 22 0.00000 7.66908 1010. RY (19) S 22 0.00000 8.38497 1011. RY (20) S 22 0.00000 4.02135 1012. RY (21) S 22 0.00000 5.73023 1013. RY (22) S 22 0.00000 5.04141 1014. RY (23) S 22 0.00000 4.13660 1015. RY (24) S 22 0.00000 3.98643 1016. RY (25) S 22 0.00000 4.58307 1017. RY (26) S 22 0.00000 4.44094 1018. RY (27) S 22 0.00000 4.73569 1019. RY (28) S 22 0.00000 4.82099 1020. RY (29) S 22 0.00000 7.10368 1021. RY (30) S 22 0.00000 4.24048 1022. RY (31) S 22 0.00000 3.74841 1023. RY (32) S 22 0.00000 4.07827 1024. RY (33) S 22 0.00000 4.42280 1025. RY (34) S 22 0.00000 3.32226 1026. RY (35) S 22 0.00000 5.22888 1027. RY (36) S 22 0.00000 4.55618 1028. RY (37) S 22 0.00000 3.33194 1029. RY (38) S 22 0.00000 3.84964 1030. RY (39) S 22 0.00000 3.30730 1031. RY (40) S 22 0.00000 4.60804 1032. RY (41) S 22 0.00000 3.07803 1033. RY (42) S 22 0.00000 5.89324 1034. RY (43) S 22 0.00000 3.91943 1035. RY (44) S 22 0.00000 3.12490 1036. RY (45) S 22 0.00000 3.80104 1037. RY (46) S 22 0.00000 2.77407 1038. RY (47) S 22 0.00000 2.52897 1039. RY (48) S 22 0.00000 2.79795 1040. RY (49) S 22 0.00001 2.02297 1041. RY (50) S 22 0.00000 74.71652 1042. RY (51) S 22 0.00000 323.54358 1043. RY (52) S 22 0.00000 102.18814 1044. RY (53) S 22 0.00000 17.00651 1045. RY (54) S 22 0.00000 23.75235 1046. RY (55) S 22 0.00000 13.58931 1047. RY (56) S 22 0.00000 22.84508 1048. RY (57) S 22 0.00000 13.60397 1049. RY (58) S 22 0.00000 21.67418 1050. RY (59) S 22 0.00000 12.36486 1051. RY (60) S 22 0.00000 5.70208 1052. RY (61) S 22 0.00000 7.27359 1053. RY ( 1) S 23 0.01017 0.81090 1054. RY ( 2) S 23 0.00618 0.74637 1055. RY ( 3) S 23 0.00235 0.84936 1056. RY ( 4) S 23 0.00169 0.93172 1057. RY ( 5) S 23 0.00034 0.65004 1058. RY ( 6) S 23 0.00023 1.52248 1059. RY ( 7) S 23 0.00018 1.77509 1060. RY ( 8) S 23 0.00017 1.37907 1061. RY ( 9) S 23 0.00005 1.75190 1062. RY (10) S 23 0.00003 2.13273 1063. RY (11) S 23 0.00002 1.90644 1064. RY (12) S 23 0.00001 2.23896 1065. RY (13) S 23 0.00001 1.32944 1066. RY (14) S 23 0.00000 9.71087 1067. RY (15) S 23 0.00000 12.64644 1068. RY (16) S 23 0.00000 7.21096 1069. RY (17) S 23 0.00000 8.17496 1070. RY (18) S 23 0.00000 5.35433 1071. RY (19) S 23 0.00000 4.61289 1072. RY (20) S 23 0.00000 4.14988 1073. RY (21) S 23 0.00000 3.73961 1074. RY (22) S 23 0.00000 4.33122 1075. RY (23) S 23 0.00000 4.54385 1076. RY (24) S 23 0.00000 3.65331 1077. RY (25) S 23 0.00000 5.08447 1078. RY (26) S 23 0.00000 4.14632 1079. RY (27) S 23 0.00000 5.36516 1080. RY (28) S 23 0.00000 3.34602 1081. RY (29) S 23 0.00000 5.39322 1082. RY (30) S 23 0.00000 4.99771 1083. RY (31) S 23 0.00000 4.79650 1084. RY (32) S 23 0.00000 5.89179 1085. RY (33) S 23 0.00000 3.84347 1086. RY (34) S 23 0.00000 5.69293 1087. RY (35) S 23 0.00000 4.44484 1088. RY (36) S 23 0.00000 3.23871 1089. RY (37) S 23 0.00000 3.96642 1090. RY (38) S 23 0.00000 2.89214 1091. RY (39) S 23 0.00000 2.38415 1092. RY (40) S 23 0.00000 3.54253 1093. RY (41) S 23 0.00000 6.26256 1094. RY (42) S 23 0.00000 5.93698 1095. RY (43) S 23 0.00000 2.38276 1096. RY (44) S 23 0.00000 3.99074 1097. RY (45) S 23 0.00000 3.37100 1098. RY (46) S 23 0.00000 4.06204 1099. RY (47) S 23 0.00000 2.10085 1100. RY (48) S 23 0.00000 2.15497 1101. RY (49) S 23 0.00000 68.96959 1102. RY (50) S 23 0.00000 372.07589 1103. RY (51) S 23 0.00000 23.22219 1104. RY (52) S 23 0.00000 32.00875 1105. RY (53) S 23 0.00000 39.72311 1106. RY (54) S 23 0.00000 14.21921 1107. RY (55) S 23 0.00000 10.76186 1108. RY (56) S 23 0.00000 13.85224 1109. RY (57) S 23 0.00000 18.82155 1110. RY (58) S 23 0.00000 6.30527 1111. RY (59) S 23 0.00000 9.55212 1112. RY (60) S 23 0.00000 11.70688 1113. RY (61) S 23 0.00000 9.69902 1114. RY ( 1) S 24 0.00895 0.74728 1115. RY ( 2) S 24 0.00485 0.76623 1116. RY ( 3) S 24 0.00429 0.61202 1117. RY ( 4) S 24 0.00137 0.85120 1118. RY ( 5) S 24 0.00029 2.41520 1119. RY ( 6) S 24 0.00028 1.00726 1120. RY ( 7) S 24 0.00024 1.09795 1121. RY ( 8) S 24 0.00015 1.67220 1122. RY ( 9) S 24 0.00008 1.70849 1123. RY (10) S 24 0.00004 1.72286 1124. RY (11) S 24 0.00002 1.82375 1125. RY (12) S 24 0.00001 2.77043 1126. RY (13) S 24 0.00001 1.73459 1127. RY (14) S 24 0.00001 3.07693 1128. RY (15) S 24 0.00000 2.58399 1129. RY (16) S 24 0.00000 2.43958 1130. RY (17) S 24 0.00000 4.91765 1131. RY (18) S 24 0.00000 4.96926 1132. RY (19) S 24 0.00000 5.54381 1133. RY (20) S 24 0.00000 5.26190 1134. RY (21) S 24 0.00000 8.02865 1135. RY (22) S 24 0.00000 6.66177 1136. RY (23) S 24 0.00000 4.29676 1137. RY (24) S 24 0.00000 3.85340 1138. RY (25) S 24 0.00000 4.04626 1139. RY (26) S 24 0.00000 5.88310 1140. RY (27) S 24 0.00000 5.48632 1141. RY (28) S 24 0.00000 6.90022 1142. RY (29) S 24 0.00000 5.27518 1143. RY (30) S 24 0.00000 3.69489 1144. RY (31) S 24 0.00000 5.59702 1145. RY (32) S 24 0.00000 4.15109 1146. RY (33) S 24 0.00000 4.00171 1147. RY (34) S 24 0.00000 3.84565 1148. RY (35) S 24 0.00000 5.15198 1149. RY (36) S 24 0.00000 3.18054 1150. RY (37) S 24 0.00000 3.99544 1151. RY (38) S 24 0.00000 4.91265 1152. RY (39) S 24 0.00000 3.06328 1153. RY (40) S 24 0.00000 3.98976 1154. RY (41) S 24 0.00000 4.11186 1155. RY (42) S 24 0.00000 3.15902 1156. RY (43) S 24 0.00000 4.09010 1157. RY (44) S 24 0.00000 5.85822 1158. RY (45) S 24 0.00000 3.81013 1159. RY (46) S 24 0.00000 2.90381 1160. RY (47) S 24 0.00000 3.53156 1161. RY (48) S 24 0.00000 3.09940 1162. RY (49) S 24 0.00000 80.09245 1163. RY (50) S 24 0.00000 347.40794 1164. RY (51) S 24 0.00000 76.89704 1165. RY (52) S 24 0.00000 27.97160 1166. RY (53) S 24 0.00000 12.81555 1167. RY (54) S 24 0.00000 10.06168 1168. RY (55) S 24 0.00000 13.30817 1169. RY (56) S 24 0.00000 18.41374 1170. RY (57) S 24 0.00000 15.59278 1171. RY (58) S 24 0.00000 10.59347 1172. RY (59) S 24 0.00000 13.36415 1173. RY (60) S 24 0.00000 9.15152 1174. RY (61) S 24 0.00000 7.74284 1175. RY ( 1) S 25 0.00329 0.84549 1176. RY ( 2) S 25 0.00111 1.26158 1177. RY ( 3) S 25 0.00073 1.05185 1178. RY ( 4) S 25 0.00053 1.68715 1179. RY ( 5) S 25 0.00030 1.49501 1180. RY ( 6) S 25 0.00019 1.95292 1181. RY ( 7) S 25 0.00012 1.95152 1182. RY ( 8) S 25 0.00010 1.55493 1183. RY ( 9) S 25 0.00005 2.58813 1184. RY (10) S 25 0.00003 1.47110 1185. RY (11) S 25 0.00002 2.68921 1186. RY (12) S 25 0.00002 1.54157 1187. RY (13) S 25 0.00001 2.10015 1188. RY (14) S 25 0.00001 1.57210 1189. RY (15) S 25 0.00001 2.10196 1190. RY (16) S 25 0.00001 2.35412 1191. RY (17) S 25 0.00000 2.45191 1192. RY (18) S 25 0.00000 1.90599 1193. RY (19) S 25 0.00000 5.11333 1194. RY (20) S 25 0.00000 7.68854 1195. RY (21) S 25 0.00000 5.18732 1196. RY (22) S 25 0.00000 9.08960 1197. RY (23) S 25 0.00000 4.99473 1198. RY (24) S 25 0.00000 4.42213 1199. RY (25) S 25 0.00000 5.04539 1200. RY (26) S 25 0.00000 4.31239 1201. RY (27) S 25 0.00000 5.23886 1202. RY (28) S 25 0.00000 3.93084 1203. RY (29) S 25 0.00000 4.16208 1204. RY (30) S 25 0.00000 4.42070 1205. RY (31) S 25 0.00000 5.44088 1206. RY (32) S 25 0.00000 3.97436 1207. RY (33) S 25 0.00000 6.18819 1208. RY (34) S 25 0.00000 3.57238 1209. RY (35) S 25 0.00000 4.53890 1210. RY (36) S 25 0.00000 4.18589 1211. RY (37) S 25 0.00000 3.22456 1212. RY (38) S 25 0.00000 4.45670 1213. RY (39) S 25 0.00000 4.51359 1214. RY (40) S 25 0.00000 5.11696 1215. RY (41) S 25 0.00000 3.82720 1216. RY (42) S 25 0.00000 3.83869 1217. RY (43) S 25 0.00000 4.33759 1218. RY (44) S 25 0.00000 3.91293 1219. RY (45) S 25 0.00000 4.72437 1220. RY (46) S 25 0.00000 3.67687 1221. RY (47) S 25 0.00000 3.77087 1222. RY (48) S 25 0.00000 3.74880 1223. RY (49) S 25 0.00000 72.72263 1224. RY (50) S 25 0.00000 338.10246 1225. RY (51) S 25 0.00000 82.30067 1226. RY (52) S 25 0.00000 48.31443 1227. RY (53) S 25 0.00000 11.48712 1228. RY (54) S 25 0.00000 10.62005 1229. RY (55) S 25 0.00000 20.13197 1230. RY (56) S 25 0.00000 12.35244 1231. RY (57) S 25 0.00000 22.54112 1232. RY (58) S 25 0.00000 4.99613 1233. RY (59) S 25 0.00000 13.67968 1234. RY (60) S 25 0.00000 6.53393 1235. RY (61) S 25 0.00000 6.88390 1236. RY ( 1)Sc 26 0.02873 0.41658 1237. RY ( 2)Sc 26 0.02735 0.50308 1238. RY ( 3)Sc 26 0.02126 0.41943 1239. RY ( 4)Sc 26 0.01676 0.44182 1240. RY ( 5)Sc 26 0.00542 0.45393 1241. RY ( 6)Sc 26 0.00482 1.25427 1242. RY ( 7)Sc 26 0.00349 1.21528 1243. RY ( 8)Sc 26 0.00201 1.77593 1244. RY ( 9)Sc 26 0.00116 1.88968 1245. RY (10)Sc 26 0.00113 1.90267 1246. RY (11)Sc 26 0.00067 1.60026 1247. RY (12)Sc 26 0.00045 1.86330 1248. RY (13)Sc 26 0.00034 1.97986 1249. RY (14)Sc 26 0.00026 1.75638 1250. RY (15)Sc 26 0.00025 2.33058 1251. RY (16)Sc 26 0.00021 2.34158 1252. RY (17)Sc 26 0.00021 2.34233 1253. RY (18)Sc 26 0.00018 2.32815 1254. RY (19)Sc 26 0.00017 2.47948 1255. RY (20)Sc 26 0.00016 2.14294 1256. RY (21)Sc 26 0.00013 1.58099 1257. RY (22)Sc 26 0.00011 3.52691 1258. RY (23)Sc 26 0.00008 2.18560 1259. RY (24)Sc 26 0.00007 3.20516 1260. RY (25)Sc 26 0.00006 2.06716 1261. RY (26)Sc 26 0.00005 2.02224 1262. RY (27)Sc 26 0.00004 1.89741 1263. RY (28)Sc 26 0.00004 1.82772 1264. RY (29)Sc 26 0.00003 2.27998 1265. RY (30)Sc 26 0.00002 2.22100 1266. RY (31)Sc 26 0.00002 2.50563 1267. RY (32)Sc 26 0.00001 2.69969 1268. RY (33)Sc 26 0.00001 2.74672 1269. RY (34)Sc 26 0.00000 2.73124 1270. RY (35)Sc 26 0.00000 2.52609 1271. RY (36)Sc 26 0.00001 2.52703 1272. RY (37)Sc 26 0.00000 3.44375 1273. RY (38)Sc 26 0.00000 3.96301 1274. RY (39)Sc 26 0.00000 3.71204 1275. RY (40)Sc 26 0.00000 2.90701 1276. RY (41)Sc 26 0.00000 3.18513 1277. RY (42)Sc 26 0.00000 2.88313 1278. RY (43)Sc 26 0.00000 2.37734 1279. RY (44)Sc 26 0.00000 2.91298 1280. RY (45)Sc 26 0.00000 213.06353 1281. RY (46)Sc 26 0.00000 288.35658 1282. RY (47)Sc 26 0.00000 20.40855 1283. RY (48)Sc 26 0.00000 19.10717 1284. RY (49)Sc 26 0.00000 4.23580 1285. RY (50)Sc 26 0.00000 8.72207 1286. RY (51)Sc 26 0.00000 15.08738 1287. RY (52)Sc 26 0.00000 6.80210 1288. RY (53)Sc 26 0.00000 4.95258 1289. RY (54)Sc 26 0.00000 3.60533 1290. RY (55)Sc 26 0.00000 3.99736 1291. RY (56)Sc 26 0.00000 3.46268 1292. RY (57)Sc 26 0.00000 4.12854 1293. RY (58)Sc 26 0.00000 3.21473 1294. RY (59)Sc 26 0.00000 4.89307 1295. RY (60)Sc 26 0.00000 3.67994 1296. RY (61)Sc 26 0.00000 3.12888 1297. RY (62)Sc 26 0.00000 3.05158 1298. RY (63)Sc 26 0.00000 6.86651 1299. RY (64)Sc 26 0.00000 3.85065 1300. RY (65)Sc 26 0.00000 3.72944 1301. RY (66)Sc 26 0.00000 3.08095 1302. RY (67)Sc 26 0.00000 3.78873 1303. RY (68)Sc 26 0.00000 3.44577 1304. RY (69)Sc 26 0.00000 3.30448 1305. RY (70)Sc 26 0.00000 2.93874 1306. RY (71)Sc 26 0.00000 3.36791 1307. RY (72)Sc 26 0.00000 3.20385 1308. RY (73)Sc 26 0.00000 3.18309 1309. RY (74)Sc 26 0.00000 3.73991 1310. RY (75)Sc 26 0.00000 2.91154 1311. RY (76)Sc 26 0.00000 3.37655 1312. RY (77)Sc 26 0.00000 3.39698 1313. RY (78)Sc 26 0.00000 3.65194 ------------------------------- Total Lewis 49.58666 ( 98.1236%) Valence non-Lewis 0.75669 ( 1.4974%) Rydberg non-Lewis 0.19157 ( 0.3791%) ------------------------------- Total unit 3 50.53491 (100.0000%) Charge unit 3 -0.03491 *************************************************** ******* Beta spin orbitals ******* *************************************************** NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ------------------------------------------------------- 1 C 1 s Cor( 1s) 0.99999 -10.06894 2 C 1 s Val( 2s) 0.49126 -0.02634 3 C 1 s Ryd( 3s) 0.00073 4.16704 4 C 1 s Ryd( 4s) 0.00003 4.90943 5 C 1 s Ryd( 5s) 0.00000 12.47582 6 C 1 s Ryd( 6s) 0.00000 13.26419 7 C 1 s Ryd( 7s) 0.00000 129.74956 8 C 1 px Val( 2p) 0.51106 0.10670 9 C 1 px Ryd( 3p) 0.00256 1.55623 10 C 1 px Ryd( 4p) 0.00021 1.23595 11 C 1 px Ryd( 5p) 0.00003 5.24809 12 C 1 py Val( 2p) 0.55623 0.00797 13 C 1 py Ryd( 3p) 0.00127 1.00244 14 C 1 py Ryd( 4p) 0.00018 1.13280 15 C 1 py Ryd( 5p) 0.00001 4.23415 16 C 1 pz Val( 2p) 0.58725 0.09610 17 C 1 pz Ryd( 3p) 0.00235 1.66247 18 C 1 pz Ryd( 4p) 0.00017 2.10056 19 C 1 pz Ryd( 5p) 0.00002 5.10272 20 C 1 dxy Ryd( 3d) 0.00012 1.82267 21 C 1 dxy Ryd( 4d) 0.00025 2.82269 22 C 1 dxy Ryd( 5d) 0.00000 6.96894 23 C 1 dxz Ryd( 3d) 0.00061 5.06150 24 C 1 dxz Ryd( 4d) 0.00015 5.19072 25 C 1 dxz Ryd( 5d) 0.00000 7.46335 26 C 1 dyz Ryd( 3d) 0.00126 1.84558 27 C 1 dyz Ryd( 4d) 0.00005 3.21538 28 C 1 dyz Ryd( 5d) 0.00000 7.25617 29 C 1 dx2y2 Ryd( 3d) 0.00067 3.30836 30 C 1 dx2y2 Ryd( 4d) 0.00021 3.32926 31 C 1 dx2y2 Ryd( 5d) 0.00001 7.50268 32 C 1 dz2 Ryd( 3d) 0.00048 3.11722 33 C 1 dz2 Ryd( 4d) 0.00023 4.95905 34 C 1 dz2 Ryd( 5d) 0.00001 8.61391 35 C 1 f(0) Ryd( 4f) 0.00028 3.97412 36 C 1 f(0) Ryd( 5f) 0.00001 8.11527 37 C 1 f(c1) Ryd( 4f) 0.00023 4.30361 38 C 1 f(c1) Ryd( 5f) 0.00001 8.51075 39 C 1 f(s1) Ryd( 4f) 0.00029 3.03983 40 C 1 f(s1) Ryd( 5f) 0.00000 7.90204 41 C 1 f(c2) Ryd( 4f) 0.00025 3.80324 42 C 1 f(c2) Ryd( 5f) 0.00001 8.12387 43 C 1 f(s2) Ryd( 4f) 0.00004 3.06350 44 C 1 f(s2) Ryd( 5f) 0.00001 7.66829 45 C 1 f(c3) Ryd( 4f) 0.00019 3.29032 46 C 1 f(c3) Ryd( 5f) 0.00001 7.67555 47 C 1 f(s3) Ryd( 4f) 0.00015 2.84955 48 C 1 f(s3) Ryd( 5f) 0.00000 7.39772 49 C 1 g(0) Ryd( 5g) 0.00006 6.33921 50 C 1 g(c1) Ryd( 5g) 0.00008 6.60532 51 C 1 g(s1) Ryd( 5g) 0.00003 6.11412 52 C 1 g(c2) Ryd( 5g) 0.00005 6.29268 53 C 1 g(s2) Ryd( 5g) 0.00003 6.37473 54 C 1 g(c3) Ryd( 5g) 0.00002 6.25793 55 C 1 g(s3) Ryd( 5g) 0.00003 6.17584 56 C 1 g(c4) Ryd( 5g) 0.00001 6.15805 57 C 1 g(s4) Ryd( 5g) 0.00001 5.98967 58 C 2 s Cor( 1s) 0.99999 -10.07212 59 C 2 s Val( 2s) 0.48906 -0.03082 60 C 2 s Ryd( 3s) 0.00079 3.75241 61 C 2 s Ryd( 4s) 0.00004 4.64010 62 C 2 s Ryd( 5s) 0.00000 12.48871 63 C 2 s Ryd( 6s) 0.00000 13.84524 64 C 2 s Ryd( 7s) 0.00000 129.39629 65 C 2 px Val( 2p) 0.56753 0.09647 66 C 2 px Ryd( 3p) 0.00230 1.66936 67 C 2 px Ryd( 4p) 0.00015 1.89793 68 C 2 px Ryd( 5p) 0.00002 5.38228 69 C 2 py Val( 2p) 0.57226 0.00078 70 C 2 py Ryd( 3p) 0.00130 0.99192 71 C 2 py Ryd( 4p) 0.00017 1.04493 72 C 2 py Ryd( 5p) 0.00000 4.39155 73 C 2 pz Val( 2p) 0.52861 0.09553 74 C 2 pz Ryd( 3p) 0.00251 1.51497 75 C 2 pz Ryd( 4p) 0.00016 1.39635 76 C 2 pz Ryd( 5p) 0.00003 5.32916 77 C 2 dxy Ryd( 3d) 0.00087 1.78685 78 C 2 dxy Ryd( 4d) 0.00007 3.14084 79 C 2 dxy Ryd( 5d) 0.00000 7.12097 80 C 2 dxz Ryd( 3d) 0.00029 3.57993 81 C 2 dxz Ryd( 4d) 0.00031 4.90201 82 C 2 dxz Ryd( 5d) 0.00000 7.92823 83 C 2 dyz Ryd( 3d) 0.00042 1.95316 84 C 2 dyz Ryd( 4d) 0.00019 2.88463 85 C 2 dyz Ryd( 5d) 0.00000 7.06610 86 C 2 dx2y2 Ryd( 3d) 0.00088 3.49270 87 C 2 dx2y2 Ryd( 4d) 0.00010 4.20422 88 C 2 dx2y2 Ryd( 5d) 0.00001 8.39025 89 C 2 dz2 Ryd( 3d) 0.00063 4.36815 90 C 2 dz2 Ryd( 4d) 0.00016 4.40859 91 C 2 dz2 Ryd( 5d) 0.00001 7.28243 92 C 2 f(0) Ryd( 4f) 0.00027 4.20050 93 C 2 f(0) Ryd( 5f) 0.00001 8.18123 94 C 2 f(c1) Ryd( 4f) 0.00019 4.11367 95 C 2 f(c1) Ryd( 5f) 0.00002 8.37185 96 C 2 f(s1) Ryd( 4f) 0.00011 2.98947 97 C 2 f(s1) Ryd( 5f) 0.00000 7.50169 98 C 2 f(c2) Ryd( 4f) 0.00026 3.77550 99 C 2 f(c2) Ryd( 5f) 0.00001 7.93224 100 C 2 f(s2) Ryd( 4f) 0.00008 3.10188 101 C 2 f(s2) Ryd( 5f) 0.00000 7.66196 102 C 2 f(c3) Ryd( 4f) 0.00022 3.33510 103 C 2 f(c3) Ryd( 5f) 0.00000 7.85941 104 C 2 f(s3) Ryd( 4f) 0.00030 2.87026 105 C 2 f(s3) Ryd( 5f) 0.00000 7.81949 106 C 2 g(0) Ryd( 5g) 0.00007 6.32089 107 C 2 g(c1) Ryd( 5g) 0.00008 6.66469 108 C 2 g(s1) Ryd( 5g) 0.00003 6.08442 109 C 2 g(c2) Ryd( 5g) 0.00003 6.31579 110 C 2 g(s2) Ryd( 5g) 0.00000 6.46328 111 C 2 g(c3) Ryd( 5g) 0.00002 6.16284 112 C 2 g(s3) Ryd( 5g) 0.00006 6.06798 113 C 2 g(c4) Ryd( 5g) 0.00001 6.18727 114 C 2 g(s4) Ryd( 5g) 0.00000 6.04415 115 C 3 s Cor( 1s) 0.99999 -10.07107 116 C 3 s Val( 2s) 0.48952 -0.03118 117 C 3 s Ryd( 3s) 0.00077 3.75451 118 C 3 s Ryd( 4s) 0.00004 4.57824 119 C 3 s Ryd( 5s) 0.00000 12.88053 120 C 3 s Ryd( 6s) 0.00000 13.49544 121 C 3 s Ryd( 7s) 0.00000 129.69531 122 C 3 px Val( 2p) 0.55483 0.09659 123 C 3 px Ryd( 3p) 0.00248 1.61464 124 C 3 px Ryd( 4p) 0.00015 1.66893 125 C 3 px Ryd( 5p) 0.00003 5.39275 126 C 3 py Val( 2p) 0.57588 -0.00151 127 C 3 py Ryd( 3p) 0.00161 0.93577 128 C 3 py Ryd( 4p) 0.00019 1.05905 129 C 3 py Ryd( 5p) 0.00000 4.38381 130 C 3 pz Val( 2p) 0.54267 0.09779 131 C 3 pz Ryd( 3p) 0.00219 1.61374 132 C 3 pz Ryd( 4p) 0.00013 1.61141 133 C 3 pz Ryd( 5p) 0.00003 5.31608 134 C 3 dxy Ryd( 3d) 0.00068 1.78347 135 C 3 dxy Ryd( 4d) 0.00010 2.99341 136 C 3 dxy Ryd( 5d) 0.00000 7.03422 137 C 3 dxz Ryd( 3d) 0.00019 3.03600 138 C 3 dxz Ryd( 4d) 0.00036 4.91158 139 C 3 dxz Ryd( 5d) 0.00000 8.16781 140 C 3 dyz Ryd( 3d) 0.00049 1.95692 141 C 3 dyz Ryd( 4d) 0.00012 3.03045 142 C 3 dyz Ryd( 5d) 0.00000 7.03513 143 C 3 dx2y2 Ryd( 3d) 0.00099 3.72549 144 C 3 dx2y2 Ryd( 4d) 0.00009 4.06121 145 C 3 dx2y2 Ryd( 5d) 0.00001 8.06640 146 C 3 dz2 Ryd( 3d) 0.00074 4.67826 147 C 3 dz2 Ryd( 4d) 0.00013 4.62916 148 C 3 dz2 Ryd( 5d) 0.00000 7.45947 149 C 3 f(0) Ryd( 4f) 0.00025 4.09315 150 C 3 f(0) Ryd( 5f) 0.00001 8.27417 151 C 3 f(c1) Ryd( 4f) 0.00025 4.33203 152 C 3 f(c1) Ryd( 5f) 0.00001 8.32167 153 C 3 f(s1) Ryd( 4f) 0.00013 2.97469 154 C 3 f(s1) Ryd( 5f) 0.00001 7.62493 155 C 3 f(c2) Ryd( 4f) 0.00028 3.70906 156 C 3 f(c2) Ryd( 5f) 0.00001 7.79055 157 C 3 f(s2) Ryd( 4f) 0.00008 3.13534 158 C 3 f(s2) Ryd( 5f) 0.00000 7.70528 159 C 3 f(c3) Ryd( 4f) 0.00020 3.33931 160 C 3 f(c3) Ryd( 5f) 0.00000 7.85000 161 C 3 f(s3) Ryd( 4f) 0.00021 2.84026 162 C 3 f(s3) Ryd( 5f) 0.00000 7.69252 163 C 3 g(0) Ryd( 5g) 0.00006 6.46104 164 C 3 g(c1) Ryd( 5g) 0.00008 6.44103 165 C 3 g(s1) Ryd( 5g) 0.00003 6.15832 166 C 3 g(c2) Ryd( 5g) 0.00004 6.42615 167 C 3 g(s2) Ryd( 5g) 0.00003 6.33758 168 C 3 g(c3) Ryd( 5g) 0.00002 6.12461 169 C 3 g(s3) Ryd( 5g) 0.00004 6.14459 170 C 3 g(c4) Ryd( 5g) 0.00002 6.20166 171 C 3 g(s4) Ryd( 5g) 0.00000 6.03889 172 C 4 s Cor( 1s) 0.99999 -10.06787 173 C 4 s Val( 2s) 0.49155 -0.02491 174 C 4 s Ryd( 3s) 0.00069 4.20558 175 C 4 s Ryd( 4s) 0.00004 4.79909 176 C 4 s Ryd( 5s) 0.00000 12.39529 177 C 4 s Ryd( 6s) 0.00000 13.70954 178 C 4 s Ryd( 7s) 0.00000 129.44948 179 C 4 px Val( 2p) 0.51902 0.10876 180 C 4 px Ryd( 3p) 0.00253 1.55135 181 C 4 px Ryd( 4p) 0.00024 1.36519 182 C 4 px Ryd( 5p) 0.00003 5.23415 183 C 4 py Val( 2p) 0.55211 0.00457 184 C 4 py Ryd( 3p) 0.00159 0.93272 185 C 4 py Ryd( 4p) 0.00022 1.13363 186 C 4 py Ryd( 5p) 0.00001 4.26467 187 C 4 pz Val( 2p) 0.57725 0.10391 188 C 4 pz Ryd( 3p) 0.00211 1.68821 189 C 4 pz Ryd( 4p) 0.00014 2.00441 190 C 4 pz Ryd( 5p) 0.00002 5.05341 191 C 4 dxy Ryd( 3d) 0.00029 1.86054 192 C 4 dxy Ryd( 4d) 0.00021 2.90571 193 C 4 dxy Ryd( 5d) 0.00000 6.97128 194 C 4 dxz Ryd( 3d) 0.00036 4.09405 195 C 4 dxz Ryd( 4d) 0.00027 5.00517 196 C 4 dxz Ryd( 5d) 0.00000 7.78339 197 C 4 dyz Ryd( 3d) 0.00086 1.81627 198 C 4 dyz Ryd( 4d) 0.00007 3.17560 199 C 4 dyz Ryd( 5d) 0.00000 7.16251 200 C 4 dx2y2 Ryd( 3d) 0.00093 3.49044 201 C 4 dx2y2 Ryd( 4d) 0.00018 3.43186 202 C 4 dx2y2 Ryd( 5d) 0.00001 7.60754 203 C 4 dz2 Ryd( 3d) 0.00069 3.89427 204 C 4 dz2 Ryd( 4d) 0.00018 4.95546 205 C 4 dz2 Ryd( 5d) 0.00001 8.28834 206 C 4 f(0) Ryd( 4f) 0.00025 3.82688 207 C 4 f(0) Ryd( 5f) 0.00001 8.28342 208 C 4 f(c1) Ryd( 4f) 0.00033 4.66544 209 C 4 f(c1) Ryd( 5f) 0.00001 8.48576 210 C 4 f(s1) Ryd( 4f) 0.00018 2.95836 211 C 4 f(s1) Ryd( 5f) 0.00000 7.84839 212 C 4 f(c2) Ryd( 4f) 0.00029 3.65201 213 C 4 f(c2) Ryd( 5f) 0.00001 7.94568 214 C 4 f(s2) Ryd( 4f) 0.00007 3.10457 215 C 4 f(s2) Ryd( 5f) 0.00000 7.66468 216 C 4 f(c3) Ryd( 4f) 0.00019 3.30530 217 C 4 f(c3) Ryd( 5f) 0.00000 7.74894 218 C 4 f(s3) Ryd( 4f) 0.00012 2.82828 219 C 4 f(s3) Ryd( 5f) 0.00000 7.48718 220 C 4 g(0) Ryd( 5g) 0.00005 6.35038 221 C 4 g(c1) Ryd( 5g) 0.00010 6.64214 222 C 4 g(s1) Ryd( 5g) 0.00001 6.22166 223 C 4 g(c2) Ryd( 5g) 0.00005 6.25135 224 C 4 g(s2) Ryd( 5g) 0.00007 6.16504 225 C 4 g(c3) Ryd( 5g) 0.00001 6.23907 226 C 4 g(s3) Ryd( 5g) 0.00001 6.27654 227 C 4 g(c4) Ryd( 5g) 0.00001 6.17273 228 C 4 g(s4) Ryd( 5g) 0.00001 5.98531 229 C 5 s Cor( 1s) 0.99999 -10.06014 230 C 5 s Val( 2s) 0.49492 -0.02645 231 C 5 s Ryd( 3s) 0.00065 3.91632 232 C 5 s Ryd( 4s) 0.00005 4.48346 233 C 5 s Ryd( 5s) 0.00000 13.49843 234 C 5 s Ryd( 6s) 0.00000 13.84531 235 C 5 s Ryd( 7s) 0.00000 128.87317 236 C 5 px Val( 2p) 0.59526 0.10530 237 C 5 px Ryd( 3p) 0.00227 1.71924 238 C 5 px Ryd( 4p) 0.00037 2.29242 239 C 5 px Ryd( 5p) 0.00002 5.18195 240 C 5 py Val( 2p) 0.55918 0.01105 241 C 5 py Ryd( 3p) 0.00148 0.97713 242 C 5 py Ryd( 4p) 0.00026 1.13609 243 C 5 py Ryd( 5p) 0.00001 4.27600 244 C 5 pz Val( 2p) 0.50747 0.11104 245 C 5 pz Ryd( 3p) 0.00270 1.48466 246 C 5 pz Ryd( 4p) 0.00024 1.19619 247 C 5 pz Ryd( 5p) 0.00003 5.20300 248 C 5 dxy Ryd( 3d) 0.00112 1.88667 249 C 5 dxy Ryd( 4d) 0.00003 3.29113 250 C 5 dxy Ryd( 5d) 0.00000 7.11802 251 C 5 dxz Ryd( 3d) 0.00061 5.38893 252 C 5 dxz Ryd( 4d) 0.00015 5.11826 253 C 5 dxz Ryd( 5d) 0.00000 7.38987 254 C 5 dyz Ryd( 3d) 0.00020 1.90510 255 C 5 dyz Ryd( 4d) 0.00023 2.82414 256 C 5 dyz Ryd( 5d) 0.00000 7.00021 257 C 5 dx2y2 Ryd( 3d) 0.00089 2.89646 258 C 5 dx2y2 Ryd( 4d) 0.00018 4.37901 259 C 5 dx2y2 Ryd( 5d) 0.00001 9.21862 260 C 5 dz2 Ryd( 3d) 0.00031 3.23451 261 C 5 dz2 Ryd( 4d) 0.00033 3.99738 262 C 5 dz2 Ryd( 5d) 0.00000 7.40251 263 C 5 f(0) Ryd( 4f) 0.00019 3.82493 264 C 5 f(0) Ryd( 5f) 0.00001 7.95032 265 C 5 f(c1) Ryd( 4f) 0.00033 4.71772 266 C 5 f(c1) Ryd( 5f) 0.00001 8.54424 267 C 5 f(s1) Ryd( 4f) 0.00007 2.99061 268 C 5 f(s1) Ryd( 5f) 0.00000 7.41729 269 C 5 f(c2) Ryd( 4f) 0.00017 3.57216 270 C 5 f(c2) Ryd( 5f) 0.00000 8.25822 271 C 5 f(s2) Ryd( 4f) 0.00006 3.09415 272 C 5 f(s2) Ryd( 5f) 0.00001 7.63240 273 C 5 f(c3) Ryd( 4f) 0.00032 3.37844 274 C 5 f(c3) Ryd( 5f) 0.00000 7.76520 275 C 5 f(s3) Ryd( 4f) 0.00028 2.88657 276 C 5 f(s3) Ryd( 5f) 0.00000 8.04907 277 C 5 g(0) Ryd( 5g) 0.00005 6.46951 278 C 5 g(c1) Ryd( 5g) 0.00009 6.46227 279 C 5 g(s1) Ryd( 5g) 0.00000 6.20728 280 C 5 g(c2) Ryd( 5g) 0.00006 6.34863 281 C 5 g(s2) Ryd( 5g) 0.00007 6.17023 282 C 5 g(c3) Ryd( 5g) 0.00001 6.25935 283 C 5 g(s3) Ryd( 5g) 0.00001 6.32981 284 C 5 g(c4) Ryd( 5g) 0.00001 6.13785 285 C 5 g(s4) Ryd( 5g) 0.00001 5.98839 286 C 6 s Cor( 1s) 0.99999 -10.07103 287 C 6 s Val( 2s) 0.49291 -0.03414 288 C 6 s Ryd( 3s) 0.00057 3.98698 289 C 6 s Ryd( 4s) 0.00007 4.02457 290 C 6 s Ryd( 6s) 0.00000 14.13645 291 C 6 s Ryd( 5s) 0.00000 13.22948 292 C 6 s Ryd( 7s) 0.00000 129.79283 293 C 6 px Val( 2p) 0.57019 0.05618 294 C 6 px Ryd( 3p) 0.00127 1.44712 295 C 6 px Ryd( 4p) 0.00015 1.61681 296 C 6 px Ryd( 5p) 0.00001 4.69942 297 C 6 py Val( 2p) 0.57398 0.04118 298 C 6 py Ryd( 3p) 0.00266 1.15304 299 C 6 py Ryd( 4p) 0.00025 1.59659 300 C 6 py Ryd( 5p) 0.00002 4.85093 301 C 6 pz Val( 2p) 0.50864 0.10227 302 C 6 pz Ryd( 3p) 0.00272 1.50904 303 C 6 pz Ryd( 4p) 0.00019 1.19068 304 C 6 pz Ryd( 5p) 0.00003 5.24886 305 C 6 dxy Ryd( 3d) 0.00087 2.94345 306 C 6 dxy Ryd( 4d) 0.00014 4.30584 307 C 6 dxy Ryd( 5d) 0.00001 9.03396 308 C 6 dxz Ryd( 3d) 0.00022 3.34749 309 C 6 dxz Ryd( 4d) 0.00024 3.90641 310 C 6 dxz Ryd( 5d) 0.00000 7.27759 311 C 6 dyz Ryd( 3d) 0.00055 3.62152 312 C 6 dyz Ryd( 4d) 0.00015 4.06663 313 C 6 dyz Ryd( 5d) 0.00000 7.11602 314 C 6 dx2y2 Ryd( 3d) 0.00124 1.72917 315 C 6 dx2y2 Ryd( 4d) 0.00004 3.16765 316 C 6 dx2y2 Ryd( 5d) 0.00000 7.06535 317 C 6 dz2 Ryd( 3d) 0.00032 3.30612 318 C 6 dz2 Ryd( 4d) 0.00032 4.02102 319 C 6 dz2 Ryd( 5d) 0.00000 7.40488 320 C 6 f(0) Ryd( 4f) 0.00021 3.90124 321 C 6 f(0) Ryd( 5f) 0.00001 7.96335 322 C 6 f(c1) Ryd( 4f) 0.00022 3.81733 323 C 6 f(c1) Ryd( 5f) 0.00001 7.86546 324 C 6 f(s1) Ryd( 4f) 0.00016 3.79193 325 C 6 f(s1) Ryd( 5f) 0.00001 7.89059 326 C 6 f(c2) Ryd( 4f) 0.00005 3.01581 327 C 6 f(c2) Ryd( 5f) 0.00001 7.58569 328 C 6 f(s2) Ryd( 4f) 0.00018 3.61541 329 C 6 f(s2) Ryd( 5f) 0.00000 8.20296 330 C 6 f(c3) Ryd( 4f) 0.00024 3.08569 331 C 6 f(c3) Ryd( 5f) 0.00000 7.87692 332 C 6 f(s3) Ryd( 4f) 0.00036 3.10910 333 C 6 f(s3) Ryd( 5f) 0.00000 7.78079 334 C 6 g(0) Ryd( 5g) 0.00005 6.42602 335 C 6 g(c1) Ryd( 5g) 0.00005 6.32513 336 C 6 g(s1) Ryd( 5g) 0.00005 6.35870 337 C 6 g(c2) Ryd( 5g) 0.00006 6.19537 338 C 6 g(s2) Ryd( 5g) 0.00005 6.33056 339 C 6 g(c3) Ryd( 5g) 0.00001 6.29509 340 C 6 g(s3) Ryd( 5g) 0.00001 6.22743 341 C 6 g(c4) Ryd( 5g) 0.00001 6.11311 342 C 6 g(s4) Ryd( 5g) 0.00001 5.96380 343 C 7 s Cor( 1s) 0.99999 -10.07611 344 C 7 s Val( 2s) 0.49174 -0.03300 345 C 7 s Ryd( 3s) 0.00071 3.97804 346 C 7 s Ryd( 4s) 0.00004 4.94602 347 C 7 s Ryd( 5s) 0.00000 12.59856 348 C 7 s Ryd( 6s) 0.00000 13.29077 349 C 7 s Ryd( 7s) 0.00000 129.74335 350 C 7 px Val( 2p) 0.53477 0.04877 351 C 7 px Ryd( 3p) 0.00161 1.26641 352 C 7 px Ryd( 4p) 0.00019 1.26990 353 C 7 px Ryd( 5p) 0.00002 4.65945 354 C 7 py Val( 2p) 0.54285 0.04640 355 C 7 py Ryd( 3p) 0.00231 1.19398 356 C 7 py Ryd( 4p) 0.00022 1.34703 357 C 7 py Ryd( 5p) 0.00002 4.80795 358 C 7 pz Val( 2p) 0.57298 0.09565 359 C 7 pz Ryd( 3p) 0.00216 1.64302 360 C 7 pz Ryd( 4p) 0.00013 2.03801 361 C 7 pz Ryd( 5p) 0.00003 5.09510 362 C 7 dxy Ryd( 3d) 0.00091 3.57458 363 C 7 dxy Ryd( 4d) 0.00016 3.49320 364 C 7 dxy Ryd( 5d) 0.00001 7.64430 365 C 7 dxz Ryd( 3d) 0.00067 2.90862 366 C 7 dxz Ryd( 4d) 0.00015 3.98033 367 C 7 dxz Ryd( 5d) 0.00000 7.33032 368 C 7 dyz Ryd( 3d) 0.00047 2.63153 369 C 7 dyz Ryd( 4d) 0.00023 4.07455 370 C 7 dyz Ryd( 5d) 0.00000 7.66468 371 C 7 dx2y2 Ryd( 3d) 0.00034 1.76884 372 C 7 dx2y2 Ryd( 4d) 0.00020 2.84796 373 C 7 dx2y2 Ryd( 5d) 0.00000 6.97170 374 C 7 dz2 Ryd( 3d) 0.00071 4.09657 375 C 7 dz2 Ryd( 4d) 0.00016 4.96138 376 C 7 dz2 Ryd( 5d) 0.00001 8.17266 377 C 7 f(0) Ryd( 4f) 0.00024 3.84147 378 C 7 f(0) Ryd( 5f) 0.00001 8.30411 379 C 7 f(c1) Ryd( 4f) 0.00027 3.76229 380 C 7 f(c1) Ryd( 5f) 0.00001 8.18027 381 C 7 f(s1) Ryd( 4f) 0.00027 3.85113 382 C 7 f(s1) Ryd( 5f) 0.00001 7.97124 383 C 7 f(c2) Ryd( 4f) 0.00006 3.06218 384 C 7 f(c2) Ryd( 5f) 0.00000 7.64341 385 C 7 f(s2) Ryd( 4f) 0.00027 3.61709 386 C 7 f(s2) Ryd( 5f) 0.00001 7.88573 387 C 7 f(c3) Ryd( 4f) 0.00015 3.10342 388 C 7 f(c3) Ryd( 5f) 0.00000 7.65629 389 C 7 f(s3) Ryd( 4f) 0.00018 2.99687 390 C 7 f(s3) Ryd( 5f) 0.00000 7.58483 391 C 7 g(0) Ryd( 5g) 0.00005 6.37150 392 C 7 g(c1) Ryd( 5g) 0.00005 6.42242 393 C 7 g(s1) Ryd( 5g) 0.00005 6.40872 394 C 7 g(c2) Ryd( 5g) 0.00008 6.11129 395 C 7 g(s2) Ryd( 5g) 0.00005 6.27554 396 C 7 g(c3) Ryd( 5g) 0.00001 6.22653 397 C 7 g(s3) Ryd( 5g) 0.00001 6.26504 398 C 7 g(c4) Ryd( 5g) 0.00001 6.18316 399 C 7 g(s4) Ryd( 5g) 0.00001 5.94934 400 C 8 s Cor( 1s) 0.99999 -10.07766 401 C 8 s Val( 2s) 0.48889 -0.03629 402 C 8 s Ryd( 3s) 0.00084 3.77534 403 C 8 s Ryd( 4s) 0.00006 4.24260 404 C 8 s Ryd( 5s) 0.00000 13.21731 405 C 8 s Ryd( 6s) 0.00000 13.47962 406 C 8 s Ryd( 7s) 0.00000 129.62971 407 C 8 px Val( 2p) 0.56690 0.03280 408 C 8 px Ryd( 3p) 0.00241 1.15945 409 C 8 px Ryd( 4p) 0.00024 1.42660 410 C 8 px Ryd( 5p) 0.00002 4.85059 411 C 8 py Val( 2p) 0.55122 0.05085 412 C 8 py Ryd( 3p) 0.00156 1.36611 413 C 8 py Ryd( 4p) 0.00012 1.31849 414 C 8 py Ryd( 5p) 0.00002 4.78422 415 C 8 pz Val( 2p) 0.54786 0.09298 416 C 8 pz Ryd( 3p) 0.00236 1.61022 417 C 8 pz Ryd( 4p) 0.00013 1.70587 418 C 8 pz Ryd( 5p) 0.00003 5.26646 419 C 8 dxy Ryd( 3d) 0.00098 3.68768 420 C 8 dxy Ryd( 4d) 0.00010 3.97398 421 C 8 dxy Ryd( 5d) 0.00001 7.97449 422 C 8 dxz Ryd( 3d) 0.00034 2.33527 423 C 8 dxz Ryd( 4d) 0.00025 3.97367 424 C 8 dxz Ryd( 5d) 0.00000 7.69140 425 C 8 dyz Ryd( 3d) 0.00043 2.53058 426 C 8 dyz Ryd( 4d) 0.00025 3.97693 427 C 8 dyz Ryd( 5d) 0.00000 7.50538 428 C 8 dx2y2 Ryd( 3d) 0.00063 1.72799 429 C 8 dx2y2 Ryd( 4d) 0.00012 2.97091 430 C 8 dx2y2 Ryd( 5d) 0.00000 7.01105 431 C 8 dz2 Ryd( 3d) 0.00075 4.78460 432 C 8 dz2 Ryd( 4d) 0.00012 4.76967 433 C 8 dz2 Ryd( 5d) 0.00001 7.57879 434 C 8 f(0) Ryd( 4f) 0.00025 4.07878 435 C 8 f(0) Ryd( 5f) 0.00001 8.35533 436 C 8 f(c1) Ryd( 4f) 0.00018 3.57011 437 C 8 f(c1) Ryd( 5f) 0.00001 7.90394 438 C 8 f(s1) Ryd( 4f) 0.00025 3.78702 439 C 8 f(s1) Ryd( 5f) 0.00001 8.03386 440 C 8 f(c2) Ryd( 4f) 0.00007 3.10851 441 C 8 f(c2) Ryd( 5f) 0.00000 7.67789 442 C 8 f(s2) Ryd( 4f) 0.00028 3.67161 443 C 8 f(s2) Ryd( 5f) 0.00001 7.77177 444 C 8 f(c3) Ryd( 4f) 0.00025 3.13175 445 C 8 f(c3) Ryd( 5f) 0.00000 7.76286 446 C 8 f(s3) Ryd( 4f) 0.00017 2.98646 447 C 8 f(s3) Ryd( 5f) 0.00001 7.69266 448 C 8 g(0) Ryd( 5g) 0.00006 6.50084 449 C 8 g(c1) Ryd( 5g) 0.00005 6.23558 450 C 8 g(s1) Ryd( 5g) 0.00005 6.32575 451 C 8 g(c2) Ryd( 5g) 0.00005 6.27574 452 C 8 g(s2) Ryd( 5g) 0.00004 6.44381 453 C 8 g(c3) Ryd( 5g) 0.00002 6.11293 454 C 8 g(s3) Ryd( 5g) 0.00002 6.16801 455 C 8 g(c4) Ryd( 5g) 0.00002 6.20626 456 C 8 g(s4) Ryd( 5g) 0.00001 5.99069 457 C 9 s Cor( 1s) 0.99999 -10.07791 458 C 9 s Val( 2s) 0.48867 -0.03656 459 C 9 s Ryd( 3s) 0.00087 3.77161 460 C 9 s Ryd( 4s) 0.00006 4.16771 461 C 9 s Ryd( 5s) 0.00000 13.14347 462 C 9 s Ryd( 6s) 0.00000 13.72315 463 C 9 s Ryd( 7s) 0.00000 129.39082 464 C 9 px Val( 2p) 0.57086 0.03159 465 C 9 px Ryd( 3p) 0.00235 1.16783 466 C 9 px Ryd( 4p) 0.00025 1.47802 467 C 9 px Ryd( 5p) 0.00001 4.85275 468 C 9 py Val( 2p) 0.57058 0.05213 469 C 9 py Ryd( 3p) 0.00130 1.46616 470 C 9 py Ryd( 4p) 0.00009 1.59941 471 C 9 py Ryd( 5p) 0.00001 4.77749 472 C 9 pz Val( 2p) 0.52460 0.09222 473 C 9 pz Ryd( 3p) 0.00256 1.52822 474 C 9 pz Ryd( 4p) 0.00016 1.34019 475 C 9 pz Ryd( 5p) 0.00003 5.29094 476 C 9 dxy Ryd( 3d) 0.00092 3.36786 477 C 9 dxy Ryd( 4d) 0.00010 4.26122 478 C 9 dxy Ryd( 5d) 0.00001 8.53067 479 C 9 dxz Ryd( 3d) 0.00044 2.73589 480 C 9 dxz Ryd( 4d) 0.00022 3.80018 481 C 9 dxz Ryd( 5d) 0.00000 7.27963 482 C 9 dyz Ryd( 3d) 0.00025 2.96449 483 C 9 dyz Ryd( 4d) 0.00026 4.06743 484 C 9 dyz Ryd( 5d) 0.00000 7.58534 485 C 9 dx2y2 Ryd( 3d) 0.00099 1.72417 486 C 9 dx2y2 Ryd( 4d) 0.00008 3.13346 487 C 9 dx2y2 Ryd( 5d) 0.00000 7.07278 488 C 9 dz2 Ryd( 3d) 0.00058 4.26403 489 C 9 dz2 Ryd( 4d) 0.00019 4.36216 490 C 9 dz2 Ryd( 5d) 0.00001 7.30437 491 C 9 f(0) Ryd( 4f) 0.00028 4.24550 492 C 9 f(0) Ryd( 5f) 0.00001 8.15730 493 C 9 f(c1) Ryd( 4f) 0.00012 3.44733 494 C 9 f(c1) Ryd( 5f) 0.00001 7.84354 495 C 9 f(s1) Ryd( 4f) 0.00017 3.64556 496 C 9 f(s1) Ryd( 5f) 0.00001 8.00573 497 C 9 f(c2) Ryd( 4f) 0.00006 3.04782 498 C 9 f(c2) Ryd( 5f) 0.00000 7.63040 499 C 9 f(s2) Ryd( 4f) 0.00026 3.78282 500 C 9 f(s2) Ryd( 5f) 0.00001 7.94763 501 C 9 f(c3) Ryd( 4f) 0.00033 3.14443 502 C 9 f(c3) Ryd( 5f) 0.00000 7.75369 503 C 9 f(s3) Ryd( 4f) 0.00022 3.01178 504 C 9 f(s3) Ryd( 5f) 0.00000 7.87472 505 C 9 g(0) Ryd( 5g) 0.00007 6.31124 506 C 9 g(c1) Ryd( 5g) 0.00006 6.34033 507 C 9 g(s1) Ryd( 5g) 0.00006 6.40079 508 C 9 g(c2) Ryd( 5g) 0.00000 6.46877 509 C 9 g(s2) Ryd( 5g) 0.00004 6.30338 510 C 9 g(c3) Ryd( 5g) 0.00003 6.11068 511 C 9 g(s3) Ryd( 5g) 0.00005 6.12296 512 C 9 g(c4) Ryd( 5g) 0.00001 6.16978 513 C 9 g(s4) Ryd( 5g) 0.00000 6.01958 514 C 10 s Cor( 1s) 0.99999 -10.07658 515 C 10 s Val( 2s) 0.49159 -0.03428 516 C 10 s Ryd( 3s) 0.00075 3.96730 517 C 10 s Ryd( 4s) 0.00004 4.94440 518 C 10 s Ryd( 5s) 0.00000 12.81305 519 C 10 s Ryd( 6s) 0.00000 13.10830 520 C 10 s Ryd( 7s) 0.00000 129.81764 521 C 10 px Val( 2p) 0.53524 0.04664 522 C 10 px Ryd( 3p) 0.00171 1.25481 523 C 10 px Ryd( 4p) 0.00019 1.22121 524 C 10 px Ryd( 5p) 0.00002 4.65783 525 C 10 py Val( 2p) 0.53132 0.04963 526 C 10 py Ryd( 3p) 0.00213 1.23021 527 C 10 py Ryd( 4p) 0.00019 1.16094 528 C 10 py Ryd( 5p) 0.00002 4.80984 529 C 10 pz Val( 2p) 0.58859 0.09058 530 C 10 pz Ryd( 3p) 0.00221 1.65329 531 C 10 pz Ryd( 4p) 0.00016 2.22746 532 C 10 pz Ryd( 5p) 0.00002 5.08574 533 C 10 dxy Ryd( 3d) 0.00070 3.25035 534 C 10 dxy Ryd( 4d) 0.00021 3.25324 535 C 10 dxy Ryd( 5d) 0.00001 7.47620 536 C 10 dxz Ryd( 3d) 0.00097 3.31927 537 C 10 dxz Ryd( 4d) 0.00009 4.15984 538 C 10 dxz Ryd( 5d) 0.00000 7.34160 539 C 10 dyz Ryd( 3d) 0.00094 3.58485 540 C 10 dyz Ryd( 4d) 0.00009 4.17006 541 C 10 dyz Ryd( 5d) 0.00000 7.20421 542 C 10 dx2y2 Ryd( 3d) 0.00009 1.75542 543 C 10 dx2y2 Ryd( 4d) 0.00024 2.77060 544 C 10 dx2y2 Ryd( 5d) 0.00000 6.94880 545 C 10 dz2 Ryd( 3d) 0.00048 3.00049 546 C 10 dz2 Ryd( 4d) 0.00026 5.02733 547 C 10 dz2 Ryd( 5d) 0.00001 8.80164 548 C 10 f(0) Ryd( 4f) 0.00032 4.08985 549 C 10 f(0) Ryd( 5f) 0.00001 8.04336 550 C 10 f(c1) Ryd( 4f) 0.00026 3.57342 551 C 10 f(c1) Ryd( 5f) 0.00001 8.19456 552 C 10 f(s1) Ryd( 4f) 0.00024 3.64623 553 C 10 f(s1) Ryd( 5f) 0.00001 8.28307 554 C 10 f(c2) Ryd( 4f) 0.00002 2.99626 555 C 10 f(c2) Ryd( 5f) 0.00001 7.59903 556 C 10 f(s2) Ryd( 4f) 0.00026 3.87638 557 C 10 f(s2) Ryd( 5f) 0.00001 8.08213 558 C 10 f(c3) Ryd( 4f) 0.00016 3.04848 559 C 10 f(c3) Ryd( 5f) 0.00001 7.52092 560 C 10 f(s3) Ryd( 4f) 0.00017 3.01536 561 C 10 f(s3) Ryd( 5f) 0.00000 7.48286 562 C 10 g(0) Ryd( 5g) 0.00006 6.37226 563 C 10 g(c1) Ryd( 5g) 0.00005 6.30906 564 C 10 g(s1) Ryd( 5g) 0.00006 6.28987 565 C 10 g(c2) Ryd( 5g) 0.00002 6.42671 566 C 10 g(s2) Ryd( 5g) 0.00005 6.34132 567 C 10 g(c3) Ryd( 5g) 0.00003 6.20166 568 C 10 g(s3) Ryd( 5g) 0.00004 6.14855 569 C 10 g(c4) Ryd( 5g) 0.00001 6.14599 570 C 10 g(s4) Ryd( 5g) 0.00000 5.98101 571 H 11 s Val( 1s) 0.37975 0.18651 572 H 11 s Ryd( 3s) 0.00027 2.03043 573 H 11 s Ryd( 2s) 0.00021 1.05577 574 H 11 s Ryd( 4s) 0.00000 6.28773 575 H 11 px Ryd( 2p) 0.00015 2.68437 576 H 11 px Ryd( 3p) 0.00002 3.72497 577 H 11 px Ryd( 4p) 0.00001 8.27653 578 H 11 py Ryd( 2p) 0.00010 2.38388 579 H 11 py Ryd( 3p) 0.00004 3.16954 580 H 11 py Ryd( 4p) 0.00000 8.46534 581 H 11 pz Ryd( 2p) 0.00040 4.21223 582 H 11 pz Ryd( 3p) 0.00004 6.90056 583 H 11 pz Ryd( 4p) 0.00000 9.68473 584 H 11 dxy Ryd( 3d) 0.00001 3.20531 585 H 11 dxy Ryd( 4d) 0.00000 9.17129 586 H 11 dxz Ryd( 3d) 0.00005 4.36695 587 H 11 dxz Ryd( 4d) 0.00000 10.88746 588 H 11 dyz Ryd( 3d) 0.00005 4.08193 589 H 11 dyz Ryd( 4d) 0.00000 10.10091 590 H 11 dx2y2 Ryd( 3d) 0.00001 3.37375 591 H 11 dx2y2 Ryd( 4d) 0.00000 9.29955 592 H 11 dz2 Ryd( 3d) 0.00007 4.82606 593 H 11 dz2 Ryd( 4d) 0.00000 12.36631 594 H 11 f(0) Ryd( 4f) 0.00002 7.92199 595 H 11 f(c1) Ryd( 4f) 0.00001 7.99768 596 H 11 f(s1) Ryd( 4f) 0.00000 7.75025 597 H 11 f(c2) Ryd( 4f) 0.00000 7.88490 598 H 11 f(s2) Ryd( 4f) 0.00000 7.81864 599 H 11 f(c3) Ryd( 4f) 0.00000 7.04266 600 H 11 f(s3) Ryd( 4f) 0.00000 7.01272 601 H 12 s Val( 1s) 0.38779 0.16780 602 H 12 s Ryd( 2s) 0.00023 1.31593 603 H 12 s Ryd( 3s) 0.00017 1.76845 604 H 12 s Ryd( 4s) 0.00000 6.34130 605 H 12 px Ryd( 2p) 0.00039 3.85333 606 H 12 px Ryd( 3p) 0.00004 6.34540 607 H 12 px Ryd( 4p) 0.00001 9.45035 608 H 12 py Ryd( 2p) 0.00008 2.44725 609 H 12 py Ryd( 3p) 0.00005 3.24403 610 H 12 py Ryd( 4p) 0.00000 8.42664 611 H 12 pz Ryd( 2p) 0.00018 2.97974 612 H 12 pz Ryd( 3p) 0.00002 4.50239 613 H 12 pz Ryd( 4p) 0.00001 8.57200 614 H 12 dxy Ryd( 3d) 0.00004 3.90669 615 H 12 dxy Ryd( 4d) 0.00000 9.76909 616 H 12 dxz Ryd( 3d) 0.00006 4.44673 617 H 12 dxz Ryd( 4d) 0.00000 11.36997 618 H 12 dyz Ryd( 3d) 0.00002 3.44490 619 H 12 dyz Ryd( 4d) 0.00000 9.32620 620 H 12 dx2y2 Ryd( 3d) 0.00004 4.33397 621 H 12 dx2y2 Ryd( 4d) 0.00000 10.84841 622 H 12 dz2 Ryd( 3d) 0.00003 3.90383 623 H 12 dz2 Ryd( 4d) 0.00000 10.02714 624 H 12 f(0) Ryd( 4f) 0.00001 7.68913 625 H 12 f(c1) Ryd( 4f) 0.00001 7.81941 626 H 12 f(s1) Ryd( 4f) 0.00000 7.39582 627 H 12 f(c2) Ryd( 4f) 0.00001 7.49738 628 H 12 f(s2) Ryd( 4f) 0.00000 7.51692 629 H 12 f(c3) Ryd( 4f) 0.00001 7.81893 630 H 12 f(s3) Ryd( 4f) 0.00000 7.63337 631 H 13 s Val( 1s) 0.38695 0.16860 632 H 13 s Ryd( 2s) 0.00023 1.35322 633 H 13 s Ryd( 3s) 0.00016 1.77348 634 H 13 s Ryd( 4s) 0.00000 6.30779 635 H 13 px Ryd( 2p) 0.00033 3.49422 636 H 13 px Ryd( 3p) 0.00003 5.62326 637 H 13 px Ryd( 4p) 0.00001 9.12420 638 H 13 py Ryd( 2p) 0.00006 2.35488 639 H 13 py Ryd( 3p) 0.00005 3.31320 640 H 13 py Ryd( 4p) 0.00000 8.41887 641 H 13 pz Ryd( 2p) 0.00026 3.30623 642 H 13 pz Ryd( 3p) 0.00002 5.10158 643 H 13 pz Ryd( 4p) 0.00001 8.91429 644 H 13 dxy Ryd( 3d) 0.00004 3.71458 645 H 13 dxy Ryd( 4d) 0.00000 9.53186 646 H 13 dxz Ryd( 3d) 0.00005 4.42066 647 H 13 dxz Ryd( 4d) 0.00000 11.81277 648 H 13 dyz Ryd( 3d) 0.00003 3.67934 649 H 13 dyz Ryd( 4d) 0.00000 9.44823 650 H 13 dx2y2 Ryd( 3d) 0.00003 4.07043 651 H 13 dx2y2 Ryd( 4d) 0.00000 10.37545 652 H 13 dz2 Ryd( 3d) 0.00005 4.15356 653 H 13 dz2 Ryd( 4d) 0.00000 10.34710 654 H 13 f(0) Ryd( 4f) 0.00000 7.88821 655 H 13 f(c1) Ryd( 4f) 0.00001 7.80589 656 H 13 f(s1) Ryd( 4f) 0.00000 7.63111 657 H 13 f(c2) Ryd( 4f) 0.00001 7.48889 658 H 13 f(s2) Ryd( 4f) 0.00000 7.35450 659 H 13 f(c3) Ryd( 4f) 0.00000 7.67763 660 H 13 f(s3) Ryd( 4f) 0.00000 7.51349 661 H 14 s Val( 1s) 0.37885 0.18976 662 H 14 s Ryd( 3s) 0.00038 1.76361 663 H 14 s Ryd( 2s) 0.00021 1.27351 664 H 14 s Ryd( 4s) 0.00000 6.30829 665 H 14 px Ryd( 2p) 0.00022 2.86050 666 H 14 px Ryd( 3p) 0.00003 4.15932 667 H 14 px Ryd( 4p) 0.00001 8.43724 668 H 14 py Ryd( 2p) 0.00010 2.28291 669 H 14 py Ryd( 3p) 0.00004 3.39008 670 H 14 py Ryd( 4p) 0.00000 8.45179 671 H 14 pz Ryd( 2p) 0.00037 4.02162 672 H 14 pz Ryd( 3p) 0.00003 6.34695 673 H 14 pz Ryd( 4p) 0.00000 9.44286 674 H 14 dxy Ryd( 3d) 0.00001 3.34503 675 H 14 dxy Ryd( 4d) 0.00000 9.27093 676 H 14 dxz Ryd( 3d) 0.00005 4.35830 677 H 14 dxz Ryd( 4d) 0.00000 11.36555 678 H 14 dyz Ryd( 3d) 0.00005 4.04980 679 H 14 dyz Ryd( 4d) 0.00000 9.89174 680 H 14 dx2y2 Ryd( 3d) 0.00002 3.54657 681 H 14 dx2y2 Ryd( 4d) 0.00000 9.49481 682 H 14 dz2 Ryd( 3d) 0.00005 4.61531 683 H 14 dz2 Ryd( 4d) 0.00000 11.81962 684 H 14 f(0) Ryd( 4f) 0.00001 7.99524 685 H 14 f(c1) Ryd( 4f) 0.00002 7.92345 686 H 14 f(s1) Ryd( 4f) 0.00000 7.77282 687 H 14 f(c2) Ryd( 4f) 0.00000 7.73597 688 H 14 f(s2) Ryd( 4f) 0.00000 7.61288 689 H 14 f(c3) Ryd( 4f) 0.00000 7.21377 690 H 14 f(s3) Ryd( 4f) 0.00000 7.17628 691 H 15 s Val( 1s) 0.37143 0.20209 692 H 15 s Ryd( 3s) 0.00081 1.92133 693 H 15 s Ryd( 2s) 0.00023 1.59515 694 H 15 s Ryd( 4s) 0.00000 5.75337 695 H 15 px Ryd( 2p) 0.00042 4.38948 696 H 15 px Ryd( 3p) 0.00005 7.51172 697 H 15 px Ryd( 4p) 0.00001 9.75458 698 H 15 py Ryd( 2p) 0.00015 2.28813 699 H 15 py Ryd( 3p) 0.00002 3.49642 700 H 15 py Ryd( 4p) 0.00000 8.45920 701 H 15 pz Ryd( 2p) 0.00017 2.49655 702 H 15 pz Ryd( 3p) 0.00002 3.82176 703 H 15 pz Ryd( 4p) 0.00000 8.25417 704 H 15 dxy Ryd( 3d) 0.00006 4.23360 705 H 15 dxy Ryd( 4d) 0.00000 9.86937 706 H 15 dxz Ryd( 3d) 0.00006 4.43665 707 H 15 dxz Ryd( 4d) 0.00000 10.67359 708 H 15 dyz Ryd( 3d) 0.00000 3.23174 709 H 15 dyz Ryd( 4d) 0.00000 9.11177 710 H 15 dx2y2 Ryd( 3d) 0.00004 4.65976 711 H 15 dx2y2 Ryd( 4d) 0.00000 11.65864 712 H 15 dz2 Ryd( 3d) 0.00002 3.64307 713 H 15 dz2 Ryd( 4d) 0.00000 10.00396 714 H 15 f(0) Ryd( 4f) 0.00000 7.30356 715 H 15 f(c1) Ryd( 4f) 0.00001 7.96440 716 H 15 f(s1) Ryd( 4f) 0.00000 6.96136 717 H 15 f(c2) Ryd( 4f) 0.00001 7.63442 718 H 15 f(s2) Ryd( 4f) 0.00000 7.94072 719 H 15 f(c3) Ryd( 4f) 0.00002 7.98021 720 H 15 f(s3) Ryd( 4f) 0.00000 7.61024 721 H 16 s Val( 1s) 0.37435 0.18939 722 H 16 s Ryd( 3s) 0.00023 1.65856 723 H 16 s Ryd( 2s) 0.00020 1.65186 724 H 16 s Ryd( 4s) 0.00000 6.37304 725 H 16 px Ryd( 2p) 0.00035 3.25416 726 H 16 px Ryd( 3p) 0.00004 5.01675 727 H 16 px Ryd( 4p) 0.00000 9.11189 728 H 16 py Ryd( 2p) 0.00024 3.02770 729 H 16 py Ryd( 3p) 0.00005 5.49660 730 H 16 py Ryd( 4p) 0.00000 9.05494 731 H 16 pz Ryd( 2p) 0.00015 2.39260 732 H 16 pz Ryd( 3p) 0.00001 3.85399 733 H 16 pz Ryd( 4p) 0.00001 8.27688 734 H 16 dxy Ryd( 3d) 0.00005 4.56117 735 H 16 dxy Ryd( 4d) 0.00000 11.86203 736 H 16 dxz Ryd( 3d) 0.00003 3.78164 737 H 16 dxz Ryd( 4d) 0.00000 10.06050 738 H 16 dyz Ryd( 3d) 0.00003 3.74635 739 H 16 dyz Ryd( 4d) 0.00000 9.90122 740 H 16 dx2y2 Ryd( 3d) 0.00005 4.08131 741 H 16 dx2y2 Ryd( 4d) 0.00000 9.95120 742 H 16 dz2 Ryd( 3d) 0.00002 3.62329 743 H 16 dz2 Ryd( 4d) 0.00000 10.10496 744 H 16 f(0) Ryd( 4f) 0.00000 7.34380 745 H 16 f(c1) Ryd( 4f) 0.00000 7.49661 746 H 16 f(s1) Ryd( 4f) 0.00000 7.43867 747 H 16 f(c2) Ryd( 4f) 0.00000 7.89532 748 H 16 f(s2) Ryd( 4f) 0.00001 7.63985 749 H 16 f(c3) Ryd( 4f) 0.00001 7.77864 750 H 16 f(s3) Ryd( 4f) 0.00001 7.81688 751 H 17 s Val( 1s) 0.37853 0.18100 752 H 17 s Ryd( 3s) 0.00030 1.81265 753 H 17 s Ryd( 2s) 0.00017 1.20175 754 H 17 s Ryd( 4s) 0.00000 6.49725 755 H 17 px Ryd( 2p) 0.00016 2.63701 756 H 17 px Ryd( 3p) 0.00002 3.42518 757 H 17 px Ryd( 4p) 0.00001 8.37950 758 H 17 py Ryd( 2p) 0.00013 2.71341 759 H 17 py Ryd( 3p) 0.00004 4.05218 760 H 17 py Ryd( 4p) 0.00000 8.51300 761 H 17 pz Ryd( 2p) 0.00038 3.95160 762 H 17 pz Ryd( 3p) 0.00003 6.06103 763 H 17 pz Ryd( 4p) 0.00000 9.41076 764 H 17 dxy Ryd( 3d) 0.00002 3.59247 765 H 17 dxy Ryd( 4d) 0.00000 9.57721 766 H 17 dxz Ryd( 3d) 0.00004 4.01241 767 H 17 dxz Ryd( 4d) 0.00000 10.38270 768 H 17 dyz Ryd( 3d) 0.00006 4.31366 769 H 17 dyz Ryd( 4d) 0.00000 10.88579 770 H 17 dx2y2 Ryd( 3d) 0.00001 3.35440 771 H 17 dx2y2 Ryd( 4d) 0.00000 9.28311 772 H 17 dz2 Ryd( 3d) 0.00005 4.55443 773 H 17 dz2 Ryd( 4d) 0.00000 11.58315 774 H 17 f(0) Ryd( 4f) 0.00001 7.99731 775 H 17 f(c1) Ryd( 4f) 0.00001 7.80138 776 H 17 f(s1) Ryd( 4f) 0.00001 7.83830 777 H 17 f(c2) Ryd( 4f) 0.00000 7.52800 778 H 17 f(s2) Ryd( 4f) 0.00001 7.69504 779 H 17 f(c3) Ryd( 4f) 0.00000 7.24854 780 H 17 f(s3) Ryd( 4f) 0.00000 7.22398 781 H 18 s Val( 1s) 0.38548 0.16524 782 H 18 s Ryd( 3s) 0.00023 1.64906 783 H 18 s Ryd( 2s) 0.00019 1.42561 784 H 18 s Ryd( 4s) 0.00000 6.38909 785 H 18 px Ryd( 2p) 0.00018 2.80498 786 H 18 px Ryd( 3p) 0.00005 4.74233 787 H 18 px Ryd( 4p) 0.00000 8.79795 788 H 18 py Ryd( 2p) 0.00022 2.82006 789 H 18 py Ryd( 3p) 0.00003 4.02735 790 H 18 py Ryd( 4p) 0.00001 8.65121 791 H 18 pz Ryd( 2p) 0.00029 3.37704 792 H 18 pz Ryd( 3p) 0.00002 5.39582 793 H 18 pz Ryd( 4p) 0.00001 9.05231 794 H 18 dxy Ryd( 3d) 0.00003 3.97767 795 H 18 dxy Ryd( 4d) 0.00000 10.19976 796 H 18 dxz Ryd( 3d) 0.00006 4.25526 797 H 18 dxz Ryd( 4d) 0.00000 10.79329 798 H 18 dyz Ryd( 3d) 0.00003 3.90360 799 H 18 dyz Ryd( 4d) 0.00000 10.52479 800 H 18 dx2y2 Ryd( 3d) 0.00003 3.62899 801 H 18 dx2y2 Ryd( 4d) 0.00000 9.48222 802 H 18 dz2 Ryd( 3d) 0.00005 4.23460 803 H 18 dz2 Ryd( 4d) 0.00000 10.52455 804 H 18 f(0) Ryd( 4f) 0.00000 7.92507 805 H 18 f(c1) Ryd( 4f) 0.00001 7.77028 806 H 18 f(s1) Ryd( 4f) 0.00001 7.70881 807 H 18 f(c2) Ryd( 4f) 0.00000 7.32854 808 H 18 f(s2) Ryd( 4f) 0.00001 7.49879 809 H 18 f(c3) Ryd( 4f) 0.00000 7.52684 810 H 18 f(s3) Ryd( 4f) 0.00000 7.53509 811 H 19 s Val( 1s) 0.38557 0.16504 812 H 19 s Ryd( 3s) 0.00023 1.62650 813 H 19 s Ryd( 2s) 0.00021 1.40611 814 H 19 s Ryd( 4s) 0.00000 6.40622 815 H 19 px Ryd( 2p) 0.00019 2.94513 816 H 19 px Ryd( 3p) 0.00005 5.02243 817 H 19 px Ryd( 4p) 0.00000 8.89266 818 H 19 py Ryd( 2p) 0.00032 3.28881 819 H 19 py Ryd( 3p) 0.00003 4.83390 820 H 19 py Ryd( 4p) 0.00001 9.09007 821 H 19 pz Ryd( 2p) 0.00017 2.83012 822 H 19 pz Ryd( 3p) 0.00002 4.36820 823 H 19 pz Ryd( 4p) 0.00001 8.48331 824 H 19 dxy Ryd( 3d) 0.00004 4.39749 825 H 19 dxy Ryd( 4d) 0.00000 11.10290 826 H 19 dxz Ryd( 3d) 0.00004 3.88384 827 H 19 dxz Ryd( 4d) 0.00000 10.08773 828 H 19 dyz Ryd( 3d) 0.00003 3.92753 829 H 19 dyz Ryd( 4d) 0.00000 10.51316 830 H 19 dx2y2 Ryd( 3d) 0.00004 3.94733 831 H 19 dx2y2 Ryd( 4d) 0.00000 9.74881 832 H 19 dz2 Ryd( 3d) 0.00003 3.84877 833 H 19 dz2 Ryd( 4d) 0.00000 10.01998 834 H 19 f(0) Ryd( 4f) 0.00001 7.62067 835 H 19 f(c1) Ryd( 4f) 0.00000 7.51507 836 H 19 f(s1) Ryd( 4f) 0.00000 7.62298 837 H 19 f(c2) Ryd( 4f) 0.00000 7.56221 838 H 19 f(s2) Ryd( 4f) 0.00001 7.51152 839 H 19 f(c3) Ryd( 4f) 0.00001 7.78964 840 H 19 f(s3) Ryd( 4f) 0.00000 7.68306 841 H 20 s Val( 1s) 0.37896 0.17913 842 H 20 s Ryd( 3s) 0.00025 1.93694 843 H 20 s Ryd( 2s) 0.00017 1.09603 844 H 20 s Ryd( 4s) 0.00000 6.43232 845 H 20 px Ryd( 2p) 0.00013 2.58323 846 H 20 px Ryd( 3p) 0.00002 3.31491 847 H 20 px Ryd( 4p) 0.00001 8.32638 848 H 20 py Ryd( 2p) 0.00009 2.49793 849 H 20 py Ryd( 3p) 0.00002 3.32739 850 H 20 py Ryd( 4p) 0.00000 8.26774 851 H 20 pz Ryd( 2p) 0.00043 4.26657 852 H 20 pz Ryd( 3p) 0.00004 6.82102 853 H 20 pz Ryd( 4p) 0.00000 9.73910 854 H 20 dxy Ryd( 3d) 0.00001 3.32166 855 H 20 dxy Ryd( 4d) 0.00000 9.23828 856 H 20 dxz Ryd( 3d) 0.00005 4.23897 857 H 20 dxz Ryd( 4d) 0.00000 10.47997 858 H 20 dyz Ryd( 3d) 0.00006 4.23520 859 H 20 dyz Ryd( 4d) 0.00000 10.27668 860 H 20 dx2y2 Ryd( 3d) 0.00000 3.16235 861 H 20 dx2y2 Ryd( 4d) 0.00000 9.11776 862 H 20 dz2 Ryd( 3d) 0.00007 4.86839 863 H 20 dz2 Ryd( 4d) 0.00000 12.56580 864 H 20 f(0) Ryd( 4f) 0.00002 7.91297 865 H 20 f(c1) Ryd( 4f) 0.00001 7.84191 866 H 20 f(s1) Ryd( 4f) 0.00000 7.85278 867 H 20 f(c2) Ryd( 4f) 0.00000 7.87777 868 H 20 f(s2) Ryd( 4f) 0.00000 7.94064 869 H 20 f(c3) Ryd( 4f) 0.00000 6.95815 870 H 20 f(s3) Ryd( 4f) 0.00000 6.95678 871 S 21 s Cor( 1s) 1.00000 -87.40091 872 S 21 s Cor( 2s) 1.00000 -8.84295 873 S 21 s Val( 3s) 0.88240 -0.39430 874 S 21 s Ryd( 4s) 0.00185 2.52753 875 S 21 s Ryd( 6s) 0.00003 8.83282 876 S 21 s Ryd( 5s) 0.00000 8.05982 877 S 21 s Ryd( 7s) 0.00000 38.26648 878 S 21 s Ryd( 9s) 0.00000 331.99715 879 S 21 s Ryd( 8s) 0.00000 171.72601 880 S 21 px Cor( 2p) 1.00000 -5.71357 881 S 21 px Val( 3p) 0.58434 -0.06016 882 S 21 px Ryd( 4p) 0.00128 1.32309 883 S 21 px Ryd( 5p) 0.00009 2.27726 884 S 21 px Ryd( 6p) 0.00001 5.42769 885 S 21 px Ryd( 7p) 0.00000 28.32680 886 S 21 py Cor( 2p) 1.00000 -5.70706 887 S 21 py Val( 3p) 0.82516 -0.07301 888 S 21 py Ryd( 4p) 0.00056 1.03085 889 S 21 py Ryd( 5p) 0.00007 2.00386 890 S 21 py Ryd( 6p) 0.00001 5.30191 891 S 21 py Ryd( 7p) 0.00000 28.44059 892 S 21 pz Cor( 2p) 1.00000 -5.70532 893 S 21 pz Val( 3p) 0.90049 -0.08270 894 S 21 pz Ryd( 4p) 0.00051 0.99735 895 S 21 pz Ryd( 5p) 0.00009 1.81488 896 S 21 pz Ryd( 6p) 0.00000 5.04795 897 S 21 pz Ryd( 7p) 0.00000 28.45428 898 S 21 dxy Ryd( 3d) 0.00493 1.04893 899 S 21 dxy Ryd( 4d) 0.00017 1.99400 900 S 21 dxy Ryd( 5d) 0.00000 4.37309 901 S 21 dxy Ryd( 6d) 0.00000 8.61199 902 S 21 dxz Ryd( 3d) 0.00253 0.83491 903 S 21 dxz Ryd( 4d) 0.00030 1.78385 904 S 21 dxz Ryd( 5d) 0.00001 3.95296 905 S 21 dxz Ryd( 6d) 0.00000 8.79593 906 S 21 dyz Ryd( 3d) 0.00255 0.76433 907 S 21 dyz Ryd( 4d) 0.00020 1.61169 908 S 21 dyz Ryd( 5d) 0.00000 3.74301 909 S 21 dyz Ryd( 6d) 0.00000 8.83815 910 S 21 dx2y2 Ryd( 3d) 0.00225 0.97518 911 S 21 dx2y2 Ryd( 4d) 0.00039 1.92928 912 S 21 dx2y2 Ryd( 5d) 0.00001 4.11071 913 S 21 dx2y2 Ryd( 6d) 0.00000 8.77081 914 S 21 dz2 Ryd( 3d) 0.00195 0.96752 915 S 21 dz2 Ryd( 4d) 0.00014 1.88029 916 S 21 dz2 Ryd( 5d) 0.00000 3.98564 917 S 21 dz2 Ryd( 6d) 0.00000 8.76046 918 S 21 f(0) Ryd( 4f) 0.00011 1.91266 919 S 21 f(0) Ryd( 5f) 0.00001 3.83381 920 S 21 f(c1) Ryd( 4f) 0.00020 1.97119 921 S 21 f(c1) Ryd( 5f) 0.00001 4.03422 922 S 21 f(s1) Ryd( 4f) 0.00010 1.75910 923 S 21 f(s1) Ryd( 5f) 0.00000 3.85403 924 S 21 f(c2) Ryd( 4f) 0.00009 1.81662 925 S 21 f(c2) Ryd( 5f) 0.00001 3.79280 926 S 21 f(s2) Ryd( 4f) 0.00019 1.88166 927 S 21 f(s2) Ryd( 5f) 0.00001 3.80333 928 S 21 f(c3) Ryd( 4f) 0.00015 2.11146 929 S 21 f(c3) Ryd( 5f) 0.00002 3.81842 930 S 21 f(s3) Ryd( 4f) 0.00038 2.21248 931 S 21 f(s3) Ryd( 5f) 0.00001 4.28776 932 S 21 g(0) Ryd( 5g) 0.00001 3.67226 933 S 21 g(c1) Ryd( 5g) 0.00001 3.70701 934 S 21 g(s1) Ryd( 5g) 0.00000 3.59093 935 S 21 g(c2) Ryd( 5g) 0.00001 3.62662 936 S 21 g(s2) Ryd( 5g) 0.00001 3.72116 937 S 21 g(c3) Ryd( 5g) 0.00000 3.64069 938 S 21 g(s3) Ryd( 5g) 0.00001 3.74444 939 S 21 g(c4) Ryd( 5g) 0.00001 3.87338 940 S 21 g(s4) Ryd( 5g) 0.00002 3.85603 941 S 22 s Cor( 1s) 1.00000 -87.75133 942 S 22 s Cor( 2s) 1.00000 -8.60871 943 S 22 s Val( 3s) 0.88441 -0.44103 944 S 22 s Ryd( 4s) 0.00322 2.34053 945 S 22 s Ryd( 5s) 0.00003 6.82778 946 S 22 s Ryd( 6s) 0.00000 9.83718 947 S 22 s Ryd( 7s) 0.00000 41.11632 948 S 22 s Ryd( 8s) 0.00000 176.29981 949 S 22 s Ryd( 9s) 0.00000 321.67154 950 S 22 px Cor( 2p) 1.00000 -5.76725 951 S 22 px Val( 3p) 0.62182 -0.09139 952 S 22 px Ryd( 4p) 0.00262 0.83424 953 S 22 px Ryd( 5p) 0.00013 1.48320 954 S 22 px Ryd( 6p) 0.00000 5.75506 955 S 22 px Ryd( 7p) 0.00000 28.28143 956 S 22 py Cor( 2p) 1.00000 -5.76128 957 S 22 py Val( 3p) 0.83803 -0.10911 958 S 22 py Ryd( 4p) 0.00230 0.54310 959 S 22 py Ryd( 5p) 0.00009 1.46252 960 S 22 py Ryd( 6p) 0.00000 5.15395 961 S 22 py Ryd( 7p) 0.00000 28.57506 962 S 22 pz Cor( 2p) 1.00000 -5.76714 963 S 22 pz Val( 3p) 0.64313 -0.10020 964 S 22 pz Ryd( 4p) 0.00234 0.81173 965 S 22 pz Ryd( 5p) 0.00015 1.44646 966 S 22 pz Ryd( 6p) 0.00001 6.72742 967 S 22 pz Ryd( 7p) 0.00000 28.37274 968 S 22 dxy Ryd( 3d) 0.00567 0.78806 969 S 22 dxy Ryd( 4d) 0.00004 2.02526 970 S 22 dxy Ryd( 5d) 0.00001 4.12935 971 S 22 dxy Ryd( 6d) 0.00000 8.50377 972 S 22 dxz Ryd( 3d) 0.00638 0.80131 973 S 22 dxz Ryd( 4d) 0.00006 2.16087 974 S 22 dxz Ryd( 5d) 0.00001 4.13563 975 S 22 dxz Ryd( 6d) 0.00000 8.68958 976 S 22 dyz Ryd( 3d) 0.00346 0.69752 977 S 22 dyz Ryd( 4d) 0.00003 1.81466 978 S 22 dyz Ryd( 5d) 0.00000 3.78010 979 S 22 dyz Ryd( 6d) 0.00000 8.76884 980 S 22 dx2y2 Ryd( 3d) 0.00512 0.68415 981 S 22 dx2y2 Ryd( 4d) 0.00004 1.76614 982 S 22 dx2y2 Ryd( 5d) 0.00001 3.88932 983 S 22 dx2y2 Ryd( 6d) 0.00000 8.71387 984 S 22 dz2 Ryd( 3d) 0.00640 0.83292 985 S 22 dz2 Ryd( 4d) 0.00007 2.29086 986 S 22 dz2 Ryd( 5d) 0.00001 4.17627 987 S 22 dz2 Ryd( 6d) 0.00000 8.41593 988 S 22 f(0) Ryd( 4f) 0.00017 1.83327 989 S 22 f(0) Ryd( 5f) 0.00002 3.88482 990 S 22 f(c1) Ryd( 4f) 0.00049 1.95337 991 S 22 f(c1) Ryd( 5f) 0.00001 4.19218 992 S 22 f(s1) Ryd( 4f) 0.00021 1.72454 993 S 22 f(s1) Ryd( 5f) 0.00001 3.83468 994 S 22 f(c2) Ryd( 4f) 0.00012 1.71219 995 S 22 f(c2) Ryd( 5f) 0.00001 3.77594 996 S 22 f(s2) Ryd( 4f) 0.00024 1.76053 997 S 22 f(s2) Ryd( 5f) 0.00001 3.85908 998 S 22 f(c3) Ryd( 4f) 0.00021 1.73742 999 S 22 f(c3) Ryd( 5f) 0.00002 3.77779 1000 S 22 f(s3) Ryd( 4f) 0.00056 1.82460 1001 S 22 f(s3) Ryd( 5f) 0.00001 4.01041 1002 S 22 g(0) Ryd( 5g) 0.00002 3.77294 1003 S 22 g(c1) Ryd( 5g) 0.00004 3.78667 1004 S 22 g(s1) Ryd( 5g) 0.00001 3.66790 1005 S 22 g(c2) Ryd( 5g) 0.00002 3.66072 1006 S 22 g(s2) Ryd( 5g) 0.00003 3.74480 1007 S 22 g(c3) Ryd( 5g) 0.00000 3.58581 1008 S 22 g(s3) Ryd( 5g) 0.00002 3.63750 1009 S 22 g(c4) Ryd( 5g) 0.00003 3.70388 1010 S 22 g(s4) Ryd( 5g) 0.00004 3.71775 1011 S 23 s Cor( 1s) 1.00000 -87.78174 1012 S 23 s Cor( 2s) 1.00000 -8.58741 1013 S 23 s Val( 3s) 0.89598 -0.45258 1014 S 23 s Ryd( 4s) 0.00374 1.68054 1015 S 23 s Ryd( 5s) 0.00002 6.46484 1016 S 23 s Ryd( 6s) 0.00000 10.96395 1017 S 23 s Ryd( 7s) 0.00000 43.89426 1018 S 23 s Ryd( 8s) 0.00000 191.75900 1019 S 23 s Ryd( 9s) 0.00000 304.33547 1020 S 23 px Cor( 2p) 1.00000 -5.76794 1021 S 23 px Val( 3p) 0.78996 -0.11725 1022 S 23 px Ryd( 4p) 0.00124 0.72327 1023 S 23 px Ryd( 5p) 0.00014 1.39388 1024 S 23 px Ryd( 6p) 0.00000 5.42716 1025 S 23 px Ryd( 7p) 0.00000 28.44476 1026 S 23 py Cor( 2p) 1.00000 -5.76688 1027 S 23 py Val( 3p) 0.80856 -0.11492 1028 S 23 py Ryd( 4p) 0.00135 0.55340 1029 S 23 py Ryd( 5p) 0.00012 1.44749 1030 S 23 py Ryd( 6p) 0.00000 5.14703 1031 S 23 py Ryd( 7p) 0.00000 28.46736 1032 S 23 pz Cor( 2p) 1.00000 -5.77507 1033 S 23 pz Val( 3p) 0.50385 -0.08708 1034 S 23 pz Ryd( 4p) 0.00321 0.69182 1035 S 23 pz Ryd( 5p) 0.00010 1.55439 1036 S 23 pz Ryd( 6p) 0.00000 6.46530 1037 S 23 pz Ryd( 7p) 0.00000 28.08728 1038 S 23 dxy Ryd( 3d) 0.00371 0.65273 1039 S 23 dxy Ryd( 4d) 0.00004 1.86337 1040 S 23 dxy Ryd( 5d) 0.00000 3.77401 1041 S 23 dxy Ryd( 6d) 0.00000 8.71062 1042 S 23 dxz Ryd( 3d) 0.00616 0.83540 1043 S 23 dxz Ryd( 4d) 0.00011 2.32820 1044 S 23 dxz Ryd( 5d) 0.00001 4.16796 1045 S 23 dxz Ryd( 6d) 0.00000 8.35932 1046 S 23 dyz Ryd( 3d) 0.00656 0.81331 1047 S 23 dyz Ryd( 4d) 0.00004 2.07788 1048 S 23 dyz Ryd( 5d) 0.00001 4.01814 1049 S 23 dyz Ryd( 6d) 0.00000 8.47575 1050 S 23 dx2y2 Ryd( 3d) 0.00229 0.62985 1051 S 23 dx2y2 Ryd( 4d) 0.00003 1.65718 1052 S 23 dx2y2 Ryd( 5d) 0.00001 3.73347 1053 S 23 dx2y2 Ryd( 6d) 0.00000 8.72569 1054 S 23 dz2 Ryd( 3d) 0.00818 0.76825 1055 S 23 dz2 Ryd( 4d) 0.00004 1.92177 1056 S 23 dz2 Ryd( 5d) 0.00001 4.14975 1057 S 23 dz2 Ryd( 6d) 0.00000 8.62603 1058 S 23 f(0) Ryd( 4f) 0.00028 1.89767 1059 S 23 f(0) Ryd( 5f) 0.00001 3.85681 1060 S 23 f(c1) Ryd( 4f) 0.00048 1.94196 1061 S 23 f(c1) Ryd( 5f) 0.00002 4.16457 1062 S 23 f(s1) Ryd( 4f) 0.00043 1.91174 1063 S 23 f(s1) Ryd( 5f) 0.00001 3.98508 1064 S 23 f(c2) Ryd( 4f) 0.00007 1.71701 1065 S 23 f(c2) Ryd( 5f) 0.00001 3.80591 1066 S 23 f(s2) Ryd( 4f) 0.00039 1.85392 1067 S 23 f(s2) Ryd( 5f) 0.00001 4.00560 1068 S 23 f(c3) Ryd( 4f) 0.00011 1.53050 1069 S 23 f(c3) Ryd( 5f) 0.00000 3.69000 1070 S 23 f(s3) Ryd( 4f) 0.00013 1.50787 1071 S 23 f(s3) Ryd( 5f) 0.00000 3.67661 1072 S 23 g(0) Ryd( 5g) 0.00003 3.73103 1073 S 23 g(c1) Ryd( 5g) 0.00004 3.77563 1074 S 23 g(s1) Ryd( 5g) 0.00002 3.74405 1075 S 23 g(c2) Ryd( 5g) 0.00002 3.76262 1076 S 23 g(s2) Ryd( 5g) 0.00004 3.77470 1077 S 23 g(c3) Ryd( 5g) 0.00001 3.67625 1078 S 23 g(s3) Ryd( 5g) 0.00001 3.67746 1079 S 23 g(c4) Ryd( 5g) 0.00000 3.46325 1080 S 23 g(s4) Ryd( 5g) 0.00000 3.45863 1081 S 24 s Cor( 1s) 1.00000 -87.75991 1082 S 24 s Cor( 2s) 1.00000 -8.60151 1083 S 24 s Val( 3s) 0.88449 -0.44139 1084 S 24 s Ryd( 4s) 0.00310 2.37495 1085 S 24 s Ryd( 5s) 0.00003 6.83605 1086 S 24 s Ryd( 6s) 0.00000 10.99924 1087 S 24 s Ryd( 7s) 0.00000 39.99454 1088 S 24 s Ryd( 8s) 0.00000 188.42829 1089 S 24 s Ryd( 9s) 0.00000 309.41632 1090 S 24 px Cor( 2p) 1.00000 -5.76779 1091 S 24 px Val( 3p) 0.62450 -0.09178 1092 S 24 px Ryd( 4p) 0.00260 0.86311 1093 S 24 px Ryd( 5p) 0.00013 1.48685 1094 S 24 px Ryd( 6p) 0.00000 5.73646 1095 S 24 px Ryd( 7p) 0.00000 28.25572 1096 S 24 py Cor( 2p) 1.00000 -5.76431 1097 S 24 py Val( 3p) 0.75861 -0.10820 1098 S 24 py Ryd( 4p) 0.00134 0.61251 1099 S 24 py Ryd( 5p) 0.00012 1.45409 1100 S 24 py Ryd( 6p) 0.00000 6.35344 1101 S 24 py Ryd( 7p) 0.00000 28.45833 1102 S 24 pz Cor( 2p) 1.00000 -5.76553 1103 S 24 pz Val( 3p) 0.71860 -0.10194 1104 S 24 pz Ryd( 4p) 0.00326 0.75720 1105 S 24 pz Ryd( 5p) 0.00013 1.44797 1106 S 24 pz Ryd( 6p) 0.00000 5.60029 1107 S 24 pz Ryd( 7p) 0.00000 28.44027 1108 S 24 dxy Ryd( 3d) 0.00673 0.82089 1109 S 24 dxy Ryd( 4d) 0.00005 2.12770 1110 S 24 dxy Ryd( 5d) 0.00001 4.13005 1111 S 24 dxy Ryd( 6d) 0.00000 8.43582 1112 S 24 dxz Ryd( 3d) 0.00538 0.79537 1113 S 24 dxz Ryd( 4d) 0.00006 2.09265 1114 S 24 dxz Ryd( 5d) 0.00001 4.15231 1115 S 24 dxz Ryd( 6d) 0.00000 8.74687 1116 S 24 dyz Ryd( 3d) 0.00502 0.77131 1117 S 24 dyz Ryd( 4d) 0.00006 2.07080 1118 S 24 dyz Ryd( 5d) 0.00000 3.99549 1119 S 24 dyz Ryd( 6d) 0.00000 8.62931 1120 S 24 dx2y2 Ryd( 3d) 0.00569 0.70992 1121 S 24 dx2y2 Ryd( 4d) 0.00004 1.88448 1122 S 24 dx2y2 Ryd( 5d) 0.00001 3.85897 1123 S 24 dx2y2 Ryd( 6d) 0.00000 8.69442 1124 S 24 dz2 Ryd( 3d) 0.00404 0.72221 1125 S 24 dz2 Ryd( 4d) 0.00006 1.89117 1126 S 24 dz2 Ryd( 5d) 0.00000 3.90482 1127 S 24 dz2 Ryd( 6d) 0.00000 8.63470 1128 S 24 f(0) Ryd( 4f) 0.00015 1.75726 1129 S 24 f(0) Ryd( 5f) 0.00001 3.81584 1130 S 24 f(c1) Ryd( 4f) 0.00034 1.81078 1131 S 24 f(c1) Ryd( 5f) 0.00001 3.93884 1132 S 24 f(s1) Ryd( 4f) 0.00027 1.71279 1133 S 24 f(s1) Ryd( 5f) 0.00001 3.88601 1134 S 24 f(c2) Ryd( 4f) 0.00014 1.79282 1135 S 24 f(c2) Ryd( 5f) 0.00001 3.81175 1136 S 24 f(s2) Ryd( 4f) 0.00045 1.90878 1137 S 24 f(s2) Ryd( 5f) 0.00002 4.09129 1138 S 24 f(c3) Ryd( 4f) 0.00016 1.75311 1139 S 24 f(c3) Ryd( 5f) 0.00001 3.80017 1140 S 24 f(s3) Ryd( 4f) 0.00047 1.82796 1141 S 24 f(s3) Ryd( 5f) 0.00001 3.99563 1142 S 24 g(0) Ryd( 5g) 0.00002 3.66482 1143 S 24 g(c1) Ryd( 5g) 0.00002 3.71038 1144 S 24 g(s1) Ryd( 5g) 0.00001 3.67562 1145 S 24 g(c2) Ryd( 5g) 0.00001 3.64051 1146 S 24 g(s2) Ryd( 5g) 0.00004 3.74549 1147 S 24 g(c3) Ryd( 5g) 0.00002 3.67447 1148 S 24 g(s3) Ryd( 5g) 0.00003 3.76379 1149 S 24 g(c4) Ryd( 5g) 0.00003 3.69107 1150 S 24 g(s4) Ryd( 5g) 0.00004 3.70025 1151 S 25 s Cor( 1s) 1.00000 -87.40200 1152 S 25 s Cor( 2s) 1.00000 -8.84232 1153 S 25 s Val( 3s) 0.88246 -0.39498 1154 S 25 s Ryd( 4s) 0.00171 2.52959 1155 S 25 s Ryd( 6s) 0.00003 8.83366 1156 S 25 s Ryd( 5s) 0.00000 7.99953 1157 S 25 s Ryd( 7s) 0.00000 38.30806 1158 S 25 s Ryd( 9s) 0.00000 336.54513 1159 S 25 s Ryd( 8s) 0.00000 167.20056 1160 S 25 px Cor( 2p) 1.00000 -5.71357 1161 S 25 px Val( 3p) 0.59365 -0.06173 1162 S 25 px Ryd( 4p) 0.00124 1.28928 1163 S 25 px Ryd( 5p) 0.00010 2.23914 1164 S 25 px Ryd( 6p) 0.00001 5.44391 1165 S 25 px Ryd( 7p) 0.00000 28.31826 1166 S 25 py Cor( 2p) 1.00000 -5.70710 1167 S 25 py Val( 3p) 0.82422 -0.06869 1168 S 25 py Ryd( 4p) 0.00052 0.94414 1169 S 25 py Ryd( 5p) 0.00007 1.99701 1170 S 25 py Ryd( 6p) 0.00001 4.65893 1171 S 25 py Ryd( 7p) 0.00000 28.45101 1172 S 25 pz Cor( 2p) 1.00000 -5.70605 1173 S 25 pz Val( 3p) 0.89186 -0.08745 1174 S 25 pz Ryd( 4p) 0.00055 1.08745 1175 S 25 pz Ryd( 5p) 0.00010 1.81861 1176 S 25 pz Ryd( 6p) 0.00001 5.73019 1177 S 25 pz Ryd( 7p) 0.00000 28.42415 1178 S 25 dxy Ryd( 3d) 0.00323 1.03820 1179 S 25 dxy Ryd( 4d) 0.00021 1.91097 1180 S 25 dxy Ryd( 5d) 0.00000 4.31587 1181 S 25 dxy Ryd( 6d) 0.00000 8.66190 1182 S 25 dxz Ryd( 3d) 0.00447 0.83594 1183 S 25 dxz Ryd( 4d) 0.00026 1.81478 1184 S 25 dxz Ryd( 5d) 0.00001 4.04386 1185 S 25 dxz Ryd( 6d) 0.00000 8.73696 1186 S 25 dyz Ryd( 3d) 0.00225 0.86141 1187 S 25 dyz Ryd( 4d) 0.00013 1.74949 1188 S 25 dyz Ryd( 5d) 0.00000 3.81777 1189 S 25 dyz Ryd( 6d) 0.00000 8.83485 1190 S 25 dx2y2 Ryd( 3d) 0.00220 0.86849 1191 S 25 dx2y2 Ryd( 4d) 0.00033 1.77895 1192 S 25 dx2y2 Ryd( 5d) 0.00001 4.05412 1193 S 25 dx2y2 Ryd( 6d) 0.00000 8.78947 1194 S 25 dz2 Ryd( 3d) 0.00249 0.92439 1195 S 25 dz2 Ryd( 4d) 0.00025 1.80076 1196 S 25 dz2 Ryd( 5d) 0.00000 3.92648 1197 S 25 dz2 Ryd( 6d) 0.00000 8.77141 1198 S 25 f(0) Ryd( 4f) 0.00006 1.88267 1199 S 25 f(0) Ryd( 5f) 0.00001 3.90911 1200 S 25 f(c1) Ryd( 4f) 0.00012 2.04098 1201 S 25 f(c1) Ryd( 5f) 0.00001 3.96926 1202 S 25 f(s1) Ryd( 4f) 0.00008 1.79210 1203 S 25 f(s1) Ryd( 5f) 0.00000 3.82346 1204 S 25 f(c2) Ryd( 4f) 0.00014 1.86071 1205 S 25 f(c2) Ryd( 5f) 0.00001 3.86899 1206 S 25 f(s2) Ryd( 4f) 0.00017 1.90162 1207 S 25 f(s2) Ryd( 5f) 0.00001 3.88696 1208 S 25 f(c3) Ryd( 4f) 0.00022 2.01511 1209 S 25 f(c3) Ryd( 5f) 0.00002 3.81209 1210 S 25 f(s3) Ryd( 4f) 0.00038 2.17554 1211 S 25 f(s3) Ryd( 5f) 0.00001 4.18154 1212 S 25 g(0) Ryd( 5g) 0.00001 3.67930 1213 S 25 g(c1) Ryd( 5g) 0.00001 3.71068 1214 S 25 g(s1) Ryd( 5g) 0.00000 3.60243 1215 S 25 g(c2) Ryd( 5g) 0.00001 3.66856 1216 S 25 g(s2) Ryd( 5g) 0.00001 3.71566 1217 S 25 g(c3) Ryd( 5g) 0.00000 3.69244 1218 S 25 g(s3) Ryd( 5g) 0.00001 3.71373 1219 S 25 g(c4) Ryd( 5g) 0.00001 3.84058 1220 S 25 g(s4) Ryd( 5g) 0.00002 3.82238 1221 Sc 26 s Cor( 2s) 1.00000 -42.90610 1222 Sc 26 s Cor( 1s) 1.00000 -135.68478 1223 Sc 26 s Cor( 3s) 0.99999 -2.06359 1224 Sc 26 s Val( 4s) 0.11212 0.44971 1225 Sc 26 s Ryd( 5s) 0.00239 1.09955 1226 Sc 26 s Ryd( 6s) 0.00022 2.94133 1227 Sc 26 s Ryd( 7s) 0.00001 3.04024 1228 Sc 26 s Ryd( 8s) 0.00000 11.45182 1229 Sc 26 s Ryd( 9s) 0.00000 24.29741 1230 Sc 26 s Ryd(11s) 0.00000 328.88751 1231 Sc 26 s Ryd(10s) 0.00000 206.72033 1232 Sc 26 px Cor( 2p) 1.00000 -14.34303 1233 Sc 26 px Cor( 3p) 0.99993 -1.18502 1234 Sc 26 px Ryd( 6p) 0.00168 2.12735 1235 Sc 26 px Ryd( 5p) 0.00046 2.00486 1236 Sc 26 px Ryd( 4p) 0.00012 1.51527 1237 Sc 26 px Ryd( 7p) 0.00010 2.15475 1238 Sc 26 py Cor( 2p) 1.00000 -14.34267 1239 Sc 26 py Cor( 3p) 0.99992 -1.18581 1240 Sc 26 py Ryd( 6p) 0.00028 2.23760 1241 Sc 26 py Ryd( 5p) 0.00023 1.97523 1242 Sc 26 py Ryd( 4p) 0.00007 1.69365 1243 Sc 26 py Ryd( 7p) 0.00009 2.35644 1244 Sc 26 pz Cor( 2p) 1.00000 -14.34316 1245 Sc 26 pz Cor( 3p) 0.99993 -1.18446 1246 Sc 26 pz Ryd( 6p) 0.00147 1.25387 1247 Sc 26 pz Ryd( 5p) 0.00043 1.56169 1248 Sc 26 pz Ryd( 4p) 0.00012 1.32201 1249 Sc 26 pz Ryd( 7p) 0.00008 1.66124 1250 Sc 26 dxy Val( 3d) 0.16211 0.17654 1251 Sc 26 dxy Ryd( 4d) 0.01919 0.46909 1252 Sc 26 dxy Ryd( 5d) 0.00014 1.54912 1253 Sc 26 dxy Ryd( 6d) 0.00002 2.56104 1254 Sc 26 dxy Ryd( 7d) 0.00000 3.99109 1255 Sc 26 dxz Val( 3d) 0.18300 0.17217 1256 Sc 26 dxz Ryd( 4d) 0.02343 0.36822 1257 Sc 26 dxz Ryd( 5d) 0.00018 1.19030 1258 Sc 26 dxz Ryd( 6d) 0.00002 2.25357 1259 Sc 26 dxz Ryd( 7d) 0.00000 3.43350 1260 Sc 26 dyz Val( 3d) 0.16370 0.21166 1261 Sc 26 dyz Ryd( 4d) 0.01950 0.44177 1262 Sc 26 dyz Ryd( 5d) 0.00016 1.19650 1263 Sc 26 dyz Ryd( 6d) 0.00002 2.27880 1264 Sc 26 dyz Ryd( 7d) 0.00000 3.70545 1265 Sc 26 dx2y2 Val( 3d) 0.14988 0.17396 1266 Sc 26 dx2y2 Ryd( 4d) 0.01600 0.50314 1267 Sc 26 dx2y2 Ryd( 5d) 0.00013 1.90998 1268 Sc 26 dx2y2 Ryd( 6d) 0.00003 2.48423 1269 Sc 26 dx2y2 Ryd( 7d) 0.00000 3.95129 1270 Sc 26 dz2 Val( 3d) 0.14142 0.14516 1271 Sc 26 dz2 Ryd( 4d) 0.00965 0.35526 1272 Sc 26 dz2 Ryd( 5d) 0.00040 1.16538 1273 Sc 26 dz2 Ryd( 6d) 0.00004 2.80577 1274 Sc 26 dz2 Ryd( 7d) 0.00000 3.35597 1275 Sc 26 f(0) Ryd( 4f) 0.00076 1.37680 1276 Sc 26 f(0) Ryd( 5f) 0.00003 2.72654 1277 Sc 26 f(0) Ryd( 6f) 0.00001 4.56656 1278 Sc 26 f(c1) Ryd( 4f) 0.00046 1.66020 1279 Sc 26 f(c1) Ryd( 5f) 0.00004 3.13371 1280 Sc 26 f(c1) Ryd( 6f) 0.00001 4.64180 1281 Sc 26 f(s1) Ryd( 4f) 0.00068 1.69866 1282 Sc 26 f(s1) Ryd( 5f) 0.00002 3.08475 1283 Sc 26 f(s1) Ryd( 6f) 0.00000 4.71234 1284 Sc 26 f(c2) Ryd( 4f) 0.00097 2.26969 1285 Sc 26 f(c2) Ryd( 5f) 0.00002 3.79666 1286 Sc 26 f(c2) Ryd( 6f) 0.00001 4.74317 1287 Sc 26 f(s2) Ryd( 4f) 0.00030 2.30326 1288 Sc 26 f(s2) Ryd( 5f) 0.00004 3.69041 1289 Sc 26 f(s2) Ryd( 6f) 0.00000 4.73236 1290 Sc 26 f(c3) Ryd( 4f) 0.00043 3.13431 1291 Sc 26 f(c3) Ryd( 5f) 0.00002 3.45801 1292 Sc 26 f(c3) Ryd( 6f) 0.00001 4.68419 1293 Sc 26 f(s3) Ryd( 4f) 0.00046 2.56274 1294 Sc 26 f(s3) Ryd( 5f) 0.00002 4.04221 1295 Sc 26 f(s3) Ryd( 6f) 0.00001 4.70499 1296 Sc 26 g(0) Ryd( 5g) 0.00027 1.83383 1297 Sc 26 g(0) Ryd( 6g) 0.00001 3.70808 1298 Sc 26 g(c1) Ryd( 5g) 0.00053 2.09988 1299 Sc 26 g(c1) Ryd( 6g) 0.00000 3.64595 1300 Sc 26 g(s1) Ryd( 5g) 0.00024 2.22564 1301 Sc 26 g(s1) Ryd( 6g) 0.00001 3.66605 1302 Sc 26 g(c2) Ryd( 5g) 0.00038 2.29783 1303 Sc 26 g(c2) Ryd( 6g) 0.00001 3.83784 1304 Sc 26 g(s2) Ryd( 5g) 0.00032 2.37008 1305 Sc 26 g(s2) Ryd( 6g) 0.00001 4.00097 1306 Sc 26 g(c3) Ryd( 5g) 0.00030 2.63289 1307 Sc 26 g(c3) Ryd( 6g) 0.00000 3.92383 1308 Sc 26 g(s3) Ryd( 5g) 0.00021 2.45202 1309 Sc 26 g(s3) Ryd( 6g) 0.00001 3.85312 1310 Sc 26 g(c4) Ryd( 5g) 0.00035 2.34711 1311 Sc 26 g(c4) Ryd( 6g) 0.00001 3.88354 1312 Sc 26 g(s4) Ryd( 5g) 0.00013 2.55503 1313 Sc 26 g(s4) Ryd( 6g) 0.00000 3.90895 Summary of Natural Population Analysis: Natural Population Natural --------------------------------------------- Atom No Charge Core Valence Rydberg Total -------------------------------------------------------------------- C 1 -0.15919 0.99999 2.14580 0.01340 3.15919 C 2 -0.17062 0.99999 2.15745 0.01318 3.17062 C 3 -0.17619 0.99999 2.16290 0.01331 3.17619 C 4 -0.15340 0.99999 2.13994 0.01347 3.15340 C 5 -0.17077 0.99999 2.15683 0.01395 3.17077 C 6 -0.15954 0.99999 2.14572 0.01383 3.15954 C 7 -0.15557 0.99999 2.14234 0.01324 3.15557 C 8 -0.16844 0.99999 2.15487 0.01359 3.16844 C 9 -0.16827 0.99999 2.15471 0.01357 3.16827 C 10 -0.16006 0.99999 2.14674 0.01333 3.16006 H 11 0.11878 0.00000 0.37975 0.00146 0.38122 H 12 0.11080 0.00000 0.38779 0.00141 0.38920 H 13 0.11164 0.00000 0.38695 0.00141 0.38836 H 14 0.11954 0.00000 0.37885 0.00161 0.38046 H 15 0.12645 0.00000 0.37143 0.00212 0.37355 H 16 0.12415 0.00000 0.37435 0.00150 0.37585 H 17 0.12000 0.00000 0.37853 0.00147 0.38000 H 18 0.11304 0.00000 0.38548 0.00148 0.38696 H 19 0.11293 0.00000 0.38557 0.00150 0.38707 H 20 0.11963 0.00000 0.37896 0.00141 0.38037 S 21 -0.21367 4.99999 3.19239 0.02129 8.21367 S 22 -0.02786 4.99999 2.98739 0.04048 8.02786 S 23 -0.03761 4.99999 2.99835 0.03927 8.03761 S 24 -0.02634 4.99999 2.98619 0.04016 8.02634 S 25 -0.21367 4.99999 3.19219 0.02149 8.21367 Sc 26 0.48423 8.99978 0.91223 0.10376 10.01577 ==================================================================== * Total * -0.50000 43.99960 41.58370 0.41670 86.00000 Natural Population --------------------------------------------------------- Core 43.99960 ( 99.9991% of 44) Valence 41.58370 ( 99.0088% of 42) Natural Minimal Basis 85.58330 ( 99.5155% of 86) Natural Rydberg Basis 0.41670 ( 0.4845% of 86) --------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 2 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 3 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 4 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 5 [core]2s( 0.49)2p( 1.66)3p( 0.01) C 6 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 7 [core]2s( 0.49)2p( 1.65)3p( 0.01) C 8 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 9 [core]2s( 0.49)2p( 1.67)3p( 0.01) C 10 [core]2s( 0.49)2p( 1.66)3p( 0.01) H 11 1s( 0.38) H 12 1s( 0.39) H 13 1s( 0.39) H 14 1s( 0.38) H 15 1s( 0.37) H 16 1s( 0.37) H 17 1s( 0.38) H 18 1s( 0.39) H 19 1s( 0.39) H 20 1s( 0.38) S 21 [core]3s( 0.88)3p( 2.31)3d( 0.01) S 22 [core]3s( 0.88)3p( 2.10)3d( 0.03)4p( 0.01) S 23 [core]3s( 0.90)3p( 2.10)3d( 0.03)4p( 0.01) S 24 [core]3s( 0.88)3p( 2.10)3d( 0.03)4p( 0.01) S 25 [core]3s( 0.88)3p( 2.31)3d( 0.01) Sc 26 [core]4s( 0.11)3d( 0.80)4d( 0.09) Wiberg bond index matrix in the NAO basis: Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.6836 0.0292 0.0216 0.6743 0.0012 0.0006 0.0007 0.0022 2. C 0.6836 0.0000 0.6625 0.0280 0.0256 0.0008 0.0006 0.0043 0.0005 3. C 0.0292 0.6625 0.0000 0.6798 0.0250 0.0009 0.0016 0.0012 0.0041 4. C 0.0216 0.0280 0.6798 0.0000 0.6819 0.0012 0.0015 0.0016 0.0006 5. C 0.6743 0.0256 0.0250 0.6819 0.0000 0.0026 0.0012 0.0009 0.0009 6. C 0.0012 0.0008 0.0009 0.0012 0.0026 0.0000 0.6803 0.0245 0.0255 7. C 0.0006 0.0006 0.0016 0.0015 0.0012 0.6803 0.0000 0.6756 0.0266 8. C 0.0007 0.0043 0.0012 0.0016 0.0009 0.0245 0.6756 0.0000 0.6678 9. C 0.0022 0.0005 0.0041 0.0006 0.0009 0.0255 0.0266 0.6678 0.0000 10. C 0.0012 0.0017 0.0007 0.0007 0.0013 0.6778 0.0210 0.0273 0.6759 11. H 0.4509 0.0012 0.0048 0.0048 0.0014 0.0001 0.0000 0.0000 0.0000 12. H 0.0014 0.4539 0.0012 0.0047 0.0050 0.0001 0.0001 0.0001 0.0001 13. H 0.0047 0.0012 0.4535 0.0015 0.0050 0.0001 0.0001 0.0001 0.0001 14. H 0.0048 0.0047 0.0012 0.4505 0.0014 0.0001 0.0002 0.0001 0.0000 15. H 0.0014 0.0048 0.0048 0.0015 0.4446 0.0001 0.0001 0.0001 0.0001 16. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.4488 0.0014 0.0047 0.0047 17. H 0.0000 0.0000 0.0001 0.0002 0.0001 0.0014 0.4492 0.0012 0.0047 18. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.0049 0.0014 0.4531 0.0012 19. H 0.0001 0.0001 0.0001 0.0001 0.0001 0.0049 0.0048 0.0012 0.4529 20. H 0.0002 0.0000 0.0000 0.0000 0.0001 0.0014 0.0047 0.0047 0.0012 21. S 0.0049 0.0024 0.0058 0.0028 0.0032 0.0030 0.0112 0.0020 0.0029 22. S 0.0021 0.0007 0.0007 0.0008 0.0030 0.0025 0.0038 0.0009 0.0038 23. S 0.0003 0.0004 0.0004 0.0004 0.0009 0.0009 0.0004 0.0003 0.0004 24. S 0.0009 0.0009 0.0005 0.0022 0.0026 0.0024 0.0007 0.0041 0.0007 25. S 0.0035 0.0047 0.0019 0.0065 0.0034 0.0036 0.0029 0.0027 0.0023 26. Sc 0.0854 0.0902 0.0915 0.0834 0.0855 0.0855 0.0858 0.0949 0.0949 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0012 0.4509 0.0014 0.0047 0.0048 0.0014 0.0001 0.0000 0.0001 2. C 0.0017 0.0012 0.4539 0.0012 0.0047 0.0048 0.0001 0.0000 0.0001 3. C 0.0007 0.0048 0.0012 0.4535 0.0012 0.0048 0.0001 0.0001 0.0001 4. C 0.0007 0.0048 0.0047 0.0015 0.4505 0.0015 0.0001 0.0002 0.0001 5. C 0.0013 0.0014 0.0050 0.0050 0.0014 0.4446 0.0001 0.0001 0.0001 6. C 0.6778 0.0001 0.0001 0.0001 0.0001 0.0001 0.4488 0.0014 0.0049 7. C 0.0210 0.0000 0.0001 0.0001 0.0002 0.0001 0.0014 0.4492 0.0014 8. C 0.0273 0.0000 0.0001 0.0001 0.0001 0.0001 0.0047 0.0012 0.4531 9. C 0.6759 0.0000 0.0001 0.0001 0.0000 0.0001 0.0047 0.0047 0.0012 10. C 0.0000 0.0002 0.0001 0.0001 0.0000 0.0001 0.0013 0.0047 0.0048 11. H 0.0002 0.0000 0.0007 0.0003 0.0002 0.0006 0.0000 0.0000 0.0000 12. H 0.0001 0.0007 0.0000 0.0006 0.0002 0.0003 0.0000 0.0000 0.0001 13. H 0.0001 0.0003 0.0006 0.0000 0.0007 0.0003 0.0000 0.0000 0.0000 14. H 0.0000 0.0002 0.0002 0.0007 0.0000 0.0007 0.0000 0.0000 0.0000 15. H 0.0001 0.0006 0.0003 0.0003 0.0007 0.0000 0.0000 0.0000 0.0000 16. H 0.0013 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0003 17. H 0.0047 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0000 0.0007 18. H 0.0048 0.0000 0.0001 0.0000 0.0000 0.0000 0.0003 0.0007 0.0000 19. H 0.0014 0.0000 0.0000 0.0001 0.0000 0.0000 0.0003 0.0002 0.0007 20. H 0.4493 0.0000 0.0000 0.0000 0.0000 0.0000 0.0007 0.0002 0.0002 21. S 0.0029 0.0004 0.0001 0.0008 0.0001 0.0010 0.0002 0.0014 0.0001 22. S 0.0009 0.0003 0.0000 0.0001 0.0002 0.0019 0.0001 0.0009 0.0000 23. S 0.0004 0.0001 0.0000 0.0000 0.0002 0.0003 0.0001 0.0000 0.0000 24. S 0.0035 0.0001 0.0001 0.0000 0.0005 0.0010 0.0001 0.0000 0.0001 25. S 0.0100 0.0002 0.0008 0.0001 0.0006 0.0005 0.0002 0.0003 0.0008 26. Sc 0.0879 0.0068 0.0072 0.0072 0.0065 0.0065 0.0066 0.0066 0.0071 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0001 0.0002 0.0049 0.0021 0.0003 0.0009 0.0035 0.0854 2. C 0.0001 0.0000 0.0024 0.0007 0.0004 0.0009 0.0047 0.0902 3. C 0.0001 0.0000 0.0058 0.0007 0.0004 0.0005 0.0019 0.0915 4. C 0.0001 0.0000 0.0028 0.0008 0.0004 0.0022 0.0065 0.0834 5. C 0.0001 0.0001 0.0032 0.0030 0.0009 0.0026 0.0034 0.0855 6. C 0.0049 0.0014 0.0030 0.0025 0.0009 0.0024 0.0036 0.0855 7. C 0.0048 0.0047 0.0112 0.0038 0.0004 0.0007 0.0029 0.0858 8. C 0.0012 0.0047 0.0020 0.0009 0.0003 0.0041 0.0027 0.0949 9. C 0.4529 0.0012 0.0029 0.0038 0.0004 0.0007 0.0023 0.0949 10. C 0.0014 0.4493 0.0029 0.0009 0.0004 0.0035 0.0100 0.0879 11. H 0.0000 0.0000 0.0004 0.0003 0.0001 0.0001 0.0002 0.0068 12. H 0.0000 0.0000 0.0001 0.0000 0.0000 0.0001 0.0008 0.0072 13. H 0.0001 0.0000 0.0008 0.0001 0.0000 0.0000 0.0001 0.0072 14. H 0.0000 0.0000 0.0001 0.0002 0.0002 0.0005 0.0006 0.0065 15. H 0.0000 0.0000 0.0010 0.0019 0.0003 0.0010 0.0005 0.0065 16. H 0.0003 0.0007 0.0002 0.0001 0.0001 0.0001 0.0002 0.0066 17. H 0.0002 0.0002 0.0014 0.0009 0.0000 0.0000 0.0003 0.0066 18. H 0.0007 0.0002 0.0001 0.0000 0.0000 0.0001 0.0008 0.0071 19. H 0.0000 0.0007 0.0008 0.0001 0.0000 0.0000 0.0001 0.0073 20. H 0.0007 0.0000 0.0003 0.0000 0.0000 0.0007 0.0010 0.0071 21. S 0.0008 0.0003 0.0000 0.5167 0.0569 0.0049 0.0079 0.3471 22. S 0.0001 0.0000 0.5167 0.0000 0.5062 0.0642 0.0049 0.0367 23. S 0.0000 0.0000 0.0569 0.5062 0.0000 0.5048 0.0567 0.0110 24. S 0.0000 0.0007 0.0049 0.0642 0.5048 0.0000 0.5173 0.0414 25. S 0.0001 0.0010 0.0079 0.0049 0.0567 0.5173 0.0000 0.3467 26. Sc 0.0073 0.0071 0.3471 0.0367 0.0110 0.0414 0.3467 0.0000 Wiberg bond index, Totals by atom: Atom 1 ---- ------ 1. C 1.9753 2. C 1.9731 3. C 1.9716 4. C 1.9762 5. C 1.9700 6. C 1.9740 7. C 1.9757 8. C 1.9741 9. C 1.9741 10. C 1.9751 11. H 0.4733 12. H 0.4768 13. H 0.4764 14. H 0.4731 15. H 0.4705 16. H 0.4707 17. H 0.4727 18. H 0.4759 19. H 0.4760 20. H 0.4728 21. S 0.9795 22. S 1.1515 23. S 1.1411 24. S 1.1537 25. S 0.9795 26. Sc 1.7366 NBI: Natural Binding Index (NCU strength parameters) Atom 1 2 3 4 5 6 7 8 9 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0000 0.5846 0.1209 0.1039 0.5806 0.0242 0.0169 0.0190 0.0330 2. C 0.5846 0.0000 0.5756 0.1183 0.1131 0.0204 0.0167 0.0462 0.0162 3. C 0.1209 0.5756 0.0000 0.5830 0.1117 0.0213 0.0280 0.0245 0.0455 4. C 0.1039 0.1183 0.5830 0.0000 0.5839 0.0247 0.0278 0.0282 0.0168 5. C 0.5806 0.1131 0.1117 0.5839 0.0000 0.0357 0.0246 0.0210 0.0214 6. C 0.0242 0.0204 0.0213 0.0247 0.0357 0.0000 0.5832 0.1107 0.1129 7. C 0.0169 0.0167 0.0280 0.0278 0.0246 0.5832 0.0000 0.5812 0.1153 8. C 0.0190 0.0462 0.0245 0.0282 0.0210 0.1107 0.5812 0.0000 0.5778 9. C 0.0330 0.0162 0.0455 0.0168 0.0214 0.1129 0.1153 0.5778 0.0000 10. C 0.0243 0.0293 0.0189 0.0184 0.0250 0.5821 0.1026 0.1169 0.5813 11. H 0.4748 0.0246 0.0490 0.0490 0.0265 0.0056 0.0040 0.0037 0.0040 12. H 0.0267 0.4764 0.0244 0.0487 0.0499 0.0067 0.0065 0.0077 0.0082 13. H 0.0487 0.0245 0.4762 0.0270 0.0499 0.0051 0.0059 0.0061 0.0073 14. H 0.0492 0.0486 0.0246 0.4746 0.0268 0.0053 0.0104 0.0058 0.0044 15. H 0.0262 0.0488 0.0490 0.0270 0.4715 0.0058 0.0055 0.0056 0.0072 16. H 0.0067 0.0079 0.0065 0.0062 0.0065 0.4737 0.0262 0.0485 0.0485 17. H 0.0042 0.0040 0.0056 0.0098 0.0052 0.0262 0.4739 0.0248 0.0484 18. H 0.0075 0.0078 0.0063 0.0059 0.0055 0.0493 0.0265 0.4759 0.0249 19. H 0.0050 0.0080 0.0081 0.0064 0.0068 0.0493 0.0490 0.0248 0.4759 20. H 0.0099 0.0042 0.0040 0.0042 0.0061 0.0261 0.0485 0.0486 0.0248 21. S 0.0494 0.0346 0.0538 0.0372 0.0397 0.0385 0.0749 0.0318 0.0379 22. S 0.0325 0.0182 0.0182 0.0201 0.0390 0.0350 0.0435 0.0210 0.0434 23. S 0.0114 0.0150 0.0147 0.0132 0.0218 0.0212 0.0141 0.0121 0.0133 24. S 0.0207 0.0212 0.0165 0.0329 0.0360 0.0344 0.0181 0.0452 0.0183 25. S 0.0419 0.0487 0.0311 0.0568 0.0414 0.0421 0.0381 0.0370 0.0336 26. Sc 0.2067 0.2123 0.2138 0.2042 0.2067 0.2067 0.2072 0.2178 0.2178 Atom 10 11 12 13 14 15 16 17 18 ---- ------ ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0243 0.4748 0.0267 0.0487 0.0492 0.0262 0.0067 0.0042 0.0075 2. C 0.0293 0.0246 0.4764 0.0245 0.0486 0.0488 0.0079 0.0040 0.0078 3. C 0.0189 0.0490 0.0244 0.4762 0.0246 0.0490 0.0065 0.0056 0.0063 4. C 0.0184 0.0490 0.0487 0.0270 0.4746 0.0270 0.0062 0.0098 0.0059 5. C 0.0250 0.0265 0.0499 0.0499 0.0268 0.4715 0.0065 0.0052 0.0055 6. C 0.5821 0.0056 0.0067 0.0051 0.0053 0.0058 0.4737 0.0262 0.0493 7. C 0.1026 0.0040 0.0065 0.0059 0.0104 0.0055 0.0262 0.4739 0.0265 8. C 0.1169 0.0037 0.0077 0.0061 0.0058 0.0056 0.0485 0.0248 0.4759 9. C 0.5813 0.0040 0.0082 0.0073 0.0044 0.0072 0.0485 0.0484 0.0249 10. C 0.0000 0.0094 0.0053 0.0070 0.0047 0.0066 0.0258 0.0485 0.0491 11. H 0.0094 0.0000 0.0187 0.0112 0.0107 0.0177 0.0021 0.0011 0.0011 12. H 0.0053 0.0187 0.0000 0.0177 0.0109 0.0114 0.0023 0.0014 0.0080 13. H 0.0070 0.0112 0.0177 0.0000 0.0187 0.0113 0.0019 0.0009 0.0012 14. H 0.0047 0.0107 0.0109 0.0187 0.0000 0.0181 0.0019 0.0041 0.0012 15. H 0.0066 0.0177 0.0114 0.0113 0.0181 0.0000 0.0031 0.0016 0.0019 16. H 0.0258 0.0021 0.0023 0.0019 0.0019 0.0031 0.0000 0.0189 0.0113 17. H 0.0485 0.0011 0.0014 0.0009 0.0041 0.0016 0.0189 0.0000 0.0188 18. H 0.0491 0.0011 0.0080 0.0012 0.0012 0.0019 0.0113 0.0188 0.0000 19. H 0.0263 0.0005 0.0014 0.0076 0.0013 0.0024 0.0114 0.0108 0.0181 20. H 0.4740 0.0036 0.0005 0.0013 0.0010 0.0023 0.0188 0.0110 0.0110 21. S 0.0382 0.0147 0.0066 0.0205 0.0078 0.0218 0.0099 0.0263 0.0062 22. S 0.0207 0.0119 0.0048 0.0076 0.0090 0.0310 0.0074 0.0209 0.0034 23. S 0.0141 0.0061 0.0035 0.0030 0.0098 0.0124 0.0066 0.0031 0.0030 24. S 0.0417 0.0081 0.0069 0.0048 0.0161 0.0219 0.0084 0.0041 0.0074 25. S 0.0708 0.0103 0.0194 0.0050 0.0175 0.0165 0.0108 0.0115 0.0194 26. Sc 0.2096 0.0584 0.0598 0.0598 0.0570 0.0572 0.0573 0.0575 0.0596 Atom 19 20 21 22 23 24 25 26 ---- ------ ------ ------ ------ ------ ------ ------ ------ 1. C 0.0050 0.0099 0.0494 0.0325 0.0114 0.0207 0.0419 0.2067 2. C 0.0080 0.0042 0.0346 0.0182 0.0150 0.0212 0.0487 0.2123 3. C 0.0081 0.0040 0.0538 0.0182 0.0147 0.0165 0.0311 0.2138 4. C 0.0064 0.0042 0.0372 0.0201 0.0132 0.0329 0.0568 0.2042 5. C 0.0068 0.0061 0.0397 0.0390 0.0218 0.0360 0.0414 0.2067 6. C 0.0493 0.0261 0.0385 0.0350 0.0212 0.0344 0.0421 0.2067 7. C 0.0490 0.0485 0.0749 0.0435 0.0141 0.0181 0.0381 0.2072 8. C 0.0248 0.0486 0.0318 0.0210 0.0121 0.0452 0.0370 0.2178 9. C 0.4759 0.0248 0.0379 0.0434 0.0133 0.0183 0.0336 0.2178 10. C 0.0263 0.4740 0.0382 0.0207 0.0141 0.0417 0.0708 0.2096 11. H 0.0005 0.0036 0.0147 0.0119 0.0061 0.0081 0.0103 0.0584 12. H 0.0014 0.0005 0.0066 0.0048 0.0035 0.0069 0.0194 0.0598 13. H 0.0076 0.0013 0.0205 0.0076 0.0030 0.0048 0.0050 0.0598 14. H 0.0013 0.0010 0.0078 0.0090 0.0098 0.0161 0.0175 0.0570 15. H 0.0024 0.0023 0.0218 0.0310 0.0124 0.0219 0.0165 0.0572 16. H 0.0114 0.0188 0.0099 0.0074 0.0066 0.0084 0.0108 0.0573 17. H 0.0108 0.0110 0.0263 0.0209 0.0031 0.0041 0.0115 0.0575 18. H 0.0181 0.0110 0.0062 0.0034 0.0030 0.0074 0.0194 0.0596 19. H 0.0000 0.0187 0.0194 0.0072 0.0033 0.0047 0.0067 0.0604 20. H 0.0187 0.0000 0.0129 0.0043 0.0031 0.0181 0.0222 0.0595 21. S 0.0194 0.0129 0.0000 0.5083 0.1686 0.0493 0.0628 0.4166 22. S 0.0072 0.0043 0.5083 0.0000 0.5031 0.1792 0.0494 0.1355 23. S 0.0033 0.0031 0.1686 0.5031 0.0000 0.5024 0.1683 0.0741 24. S 0.0047 0.0181 0.0493 0.1792 0.5024 0.0000 0.5086 0.1439 25. S 0.0067 0.0222 0.0628 0.0494 0.1683 0.5086 0.0000 0.4163 26. Sc 0.0604 0.0595 0.4166 0.1355 0.0741 0.1439 0.4163 0.0000 NATURAL BOND ORBITAL ANALYSIS, beta spin orbitals: Occupancies Lewis Structure Low High Max Occ ------------------- ----------------- occ occ Cycle Ctr Thresh Lewis non-Lewis CR BD nC LP (L) (NL) ============================================================================ 1 3 0.95 82.46231 3.53769 44 30 0 12 9 8 2 3 0.94 83.47034 2.52966 44 29 4 9 5 5 3 3 0.93 83.53613 2.46387 44 28 4 10 4 4 4 3 0.89 83.44860 2.55140 44 26 4 12 4 6 5 3 0.88 83.46443 2.53557 44 26 4 12 4 6 6 3 0.87 83.43548 2.56452 44 29 0 13 3 8 Search terminated after considering 100000 bonding patterns 7 3 0.86 83.48318 2.51682 44 28 0 14 2 10 8 3 0.93 83.53613 2.46387 44 28 4 10 4 4 ---------------------------------------------------------------------------- Strongly delocalized structure accepted ------------------------------------------------------- Core 43.99960 ( 99.999% of 44) Valence Lewis 39.53653 ( 94.135% of 42) ================== ============================= Total Lewis 83.53613 ( 97.135% of 86) ----------------------------------------------------- Valence non-Lewis 2.20259 ( 2.561% of 86) Rydberg non-Lewis 0.26128 ( 0.304% of 86) ================== ============================= Total non-Lewis 2.46387 ( 2.865% of 86) ------------------------------------------------------- (Occupancy) Bond orbital / Coefficients / Hybrids ------------------ Lewis ------------------------------------------------------ 1. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) 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. (0.99999) CR ( 1) C 7 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 8. (0.99999) CR ( 1) C 8 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 9. (0.99999) CR ( 1) C 9 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 10. (0.99999) 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. (1.00000) CR ( 1) S 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 12. (1.00000) CR ( 2) S 21 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 13. (1.00000) CR ( 3) S 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 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 14. (1.00000) CR ( 4) S 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 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 15. (1.00000) CR ( 5) S 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 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 16. (1.00000) 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 17. (1.00000) 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 18. (1.00000) 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 19. (1.00000) 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 20. (1.00000) 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 21. (1.00000) 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 22. (1.00000) 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 23. (1.00000) 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 24. (1.00000) 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 25. (1.00000) 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 26. (1.00000) 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 27. (1.00000) 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 28. (1.00000) 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 29. (1.00000) 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 30. (1.00000) 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 31. (1.00000) 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 32. (1.00000) 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 33. (1.00000) 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 34. (1.00000) 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 35. (1.00000) 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 36. (1.00000) CR ( 1)Sc 26 s(100.00%) 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 37. (1.00000) CR ( 2)Sc 26 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 38. (0.99999) CR ( 3)Sc 26 s(100.00%) 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 39. (1.00000) CR ( 4)Sc 26 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 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 40. (0.99993) CR ( 5)Sc 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 41. (1.00000) CR ( 6)Sc 26 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 42. (0.99992) CR ( 7)Sc 26 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 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 43. (1.00000) CR ( 8)Sc 26 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 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 44. (0.99993) CR ( 9)Sc 26 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 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 45. (0.57156) LP ( 1) C 2 s( 3.08%)p31.38( 96.65%)d 0.06( 0.19%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1729 -0.0297 -0.0028 0.0005 -0.0005 0.0000 0.1270 0.0303 -0.0041 0.0018 -0.9558 -0.0317 0.0103 0.0001 0.1848 0.0230 -0.0019 0.0012 -0.0326 0.0020 0.0003 0.0067 0.0011 -0.0006 -0.0231 0.0036 -0.0002 -0.0117 0.0076 -0.0017 -0.0064 0.0034 -0.0007 0.0073 0.0013 0.0011 0.0001 -0.0094 -0.0007 0.0006 0.0004 -0.0071 0.0008 0.0004 0.0010 -0.0213 -0.0009 0.0050 0.0017 -0.0062 0.0001 0.0003 -0.0030 0.0093 -0.0009 0.0002 46. (0.57616) LP ( 1) C 3 s( 3.09%)p31.28( 96.63%)d 0.06( 0.20%) f 0.02( 0.06%)g 0.01( 0.02%) 0.0000 0.1733 -0.0293 -0.0027 0.0004 -0.0005 0.0000 0.1128 0.0280 -0.0040 0.0016 -0.9707 -0.0381 0.0107 -0.0003 0.0927 -0.0177 -0.0008 -0.0017 -0.0295 0.0017 0.0003 0.0018 -0.0016 0.0005 0.0182 0.0009 -0.0008 -0.0189 0.0079 -0.0016 -0.0171 0.0047 -0.0008 0.0025 -0.0005 -0.0057 0.0000 -0.0110 -0.0013 0.0118 0.0003 0.0072 -0.0004 -0.0013 0.0013 -0.0169 -0.0011 -0.0009 -0.0028 0.0064 -0.0009 0.0067 0.0004 -0.0074 0.0037 -0.0012 47. (0.97158) LP ( 1) S 21 s( 49.90%)p 1.00( 50.00%)d 0.00( 0.09%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.7064 0.0065 0.0014 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.0812 -0.0031 -0.0020 0.0002 0.0000 0.0000 -0.5724 0.0055 -0.0042 -0.0011 0.0000 0.0000 -0.4071 0.0054 -0.0022 -0.0013 0.0000 0.0011 -0.0039 -0.0004 0.0000 0.0043 -0.0025 0.0012 0.0001 -0.0255 0.0066 -0.0003 -0.0002 0.0093 -0.0055 -0.0014 0.0000 0.0028 0.0023 0.0003 0.0000 0.0051 -0.0004 0.0012 0.0000 -0.0010 0.0006 0.0001 -0.0002 -0.0003 -0.0008 0.0055 -0.0003 -0.0014 -0.0004 0.0004 0.0003 0.0002 0.0000 0.0009 -0.0002 -0.0010 0.0008 0.0002 48. (0.99495) LP ( 1) S 22 s( 73.68%)p 0.36( 26.28%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8581 -0.0194 0.0002 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1812 -0.0046 0.0016 0.0007 0.0000 0.0000 0.3722 -0.0045 0.0005 0.0009 0.0001 0.0000 -0.3022 0.0076 -0.0030 -0.0014 0.0000 -0.0129 -0.0010 -0.0001 -0.0002 -0.0025 -0.0030 -0.0016 0.0000 0.0114 0.0003 -0.0008 0.0001 -0.0053 -0.0015 -0.0014 -0.0001 -0.0020 0.0000 -0.0002 0.0000 0.0019 -0.0010 0.0027 -0.0020 0.0026 0.0001 0.0016 -0.0003 -0.0028 0.0008 -0.0024 0.0005 -0.0002 0.0012 -0.0001 -0.0003 0.0002 0.0002 0.0002 -0.0001 0.0002 0.0005 -0.0002 49. (0.94064) LP ( 2) S 22 s( 0.52%)p99.99( 99.30%)d 0.27( 0.14%) f 0.07( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0723 0.0021 0.0003 0.0000 -0.0001 0.0000 0.0000 0.0000 0.4756 -0.0170 0.0008 -0.0003 0.0000 0.0000 -0.7562 0.0241 -0.0017 0.0010 0.0000 0.0000 -0.4403 0.0147 -0.0012 0.0004 0.0000 -0.0106 0.0039 -0.0006 0.0001 0.0125 0.0007 -0.0018 0.0002 -0.0111 -0.0007 0.0011 -0.0001 -0.0138 0.0002 0.0018 -0.0001 -0.0278 0.0028 0.0010 0.0000 -0.0070 0.0000 -0.0020 -0.0001 -0.0017 0.0001 -0.0027 0.0008 -0.0123 0.0012 0.0116 -0.0021 -0.0039 0.0005 -0.0020 -0.0020 -0.0006 0.0008 -0.0014 -0.0008 -0.0002 -0.0027 -0.0016 50. (0.99748) LP ( 1) S 23 s( 74.05%)p 0.35( 25.92%)d 0.00( 0.03%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.8604 -0.0170 0.0000 -0.0001 0.0000 0.0000 0.0000 0.0000 0.2190 0.0033 0.0017 0.0011 0.0000 0.0000 -0.4516 -0.0088 -0.0023 -0.0008 -0.0001 0.0000 0.0845 0.0016 0.0004 0.0002 0.0000 0.0140 0.0007 -0.0002 0.0002 -0.0026 0.0000 0.0001 0.0000 -0.0003 -0.0010 -0.0009 0.0000 0.0051 0.0000 -0.0008 0.0000 -0.0041 -0.0032 -0.0022 -0.0001 -0.0004 0.0006 -0.0051 0.0022 0.0005 -0.0012 0.0002 0.0004 -0.0023 0.0007 -0.0033 0.0000 -0.0016 -0.0003 0.0001 -0.0001 0.0003 0.0006 0.0003 -0.0001 0.0003 0.0004 0.0000 51. (0.94438) LP ( 2) S 23 s( 2.62%)p37.12( 97.18%)d 0.06( 0.17%) f 0.01( 0.03%)g 0.00( 0.00%) 0.0000 0.0000 0.1618 -0.0026 0.0004 0.0001 0.0000 0.0000 0.0000 0.0000 0.7369 0.0216 0.0006 -0.0006 0.0000 0.0000 0.6449 0.0212 0.0024 -0.0011 0.0000 0.0000 -0.1089 -0.0038 -0.0004 0.0002 0.0000 0.0149 -0.0043 0.0005 0.0000 -0.0033 0.0009 -0.0001 0.0000 -0.0077 0.0007 0.0003 0.0000 -0.0368 0.0025 0.0027 -0.0001 -0.0040 0.0009 -0.0005 0.0000 -0.0051 0.0006 0.0091 -0.0004 0.0112 -0.0013 -0.0020 0.0003 0.0037 -0.0003 0.0063 -0.0009 -0.0073 0.0005 0.0004 -0.0001 -0.0016 -0.0038 0.0000 -0.0001 -0.0014 0.0002 0.0007 52. (0.99459) LP ( 1) S 24 s( 73.99%)p 0.35( 25.97%)d 0.00( 0.04%) f 0.00( 0.00%)g 0.00( 0.00%) 0.0000 0.0000 0.8600 -0.0189 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0000 0.1735 -0.0047 0.0020 0.0007 0.0000 0.0000 0.4513 -0.0066 0.0016 0.0014 0.0001 0.0000 0.1608 -0.0058 0.0027 0.0010 0.0000 -0.0116 0.0003 0.0004 -0.0002 0.0074 0.0027 0.0017 0.0001 -0.0113 -0.0005 0.0000 -0.0002 -0.0004 -0.0012 -0.0016 0.0000 0.0051 0.0003 -0.0003 0.0001 -0.0027 0.0005 0.0008 -0.0013 -0.0007 0.0007 -0.0022 -0.0004 0.0026 -0.0015 -0.0034 0.0008 -0.0014 0.0012 0.0000 0.0000 0.0001 0.0003 0.0004 0.0000 0.0001 0.0004 -0.0001 53. (0.93991) LP ( 2) S 24 s( 0.31%)p99.99( 99.52%)d 0.46( 0.14%) f 0.12( 0.04%)g 0.01( 0.00%) 0.0000 0.0000 0.0552 0.0030 0.0005 0.0000 -0.0001 0.0000 0.0000 0.0000 0.4901 -0.0170 0.0005 -0.0004 0.0000 0.0000 -0.5371 0.0163 -0.0009 0.0007 0.0000 0.0000 0.6823 -0.0225 0.0021 -0.0007 0.0000 -0.0148 0.0034 0.0002 0.0000 -0.0078 -0.0021 0.0017 -0.0002 -0.0124 0.0020 0.0005 0.0001 -0.0135 -0.0004 0.0020 -0.0001 -0.0277 0.0020 0.0012 -0.0001 0.0047 0.0002 -0.0097 0.0009 0.0058 -0.0003 0.0021 -0.0007 0.0124 -0.0017 0.0059 -0.0014 -0.0018 -0.0001 -0.0016 0.0021 -0.0010 0.0010 0.0014 0.0016 -0.0004 -0.0025 -0.0012 54. (0.97241) LP ( 1) S 25 s( 50.03%)p 1.00( 49.87%)d 0.00( 0.09%) f 0.00( 0.01%)g 0.00( 0.00%) 0.0000 0.0000 0.7073 0.0060 0.0016 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.0962 -0.0029 -0.0021 0.0002 0.0000 0.0000 -0.4029 0.0034 -0.0035 -0.0007 0.0000 0.0000 0.5719 -0.0067 0.0034 0.0016 0.0000 0.0002 -0.0032 -0.0007 0.0000 -0.0055 0.0039 -0.0010 -0.0001 0.0248 -0.0053 0.0000 0.0002 0.0011 -0.0034 -0.0014 0.0000 -0.0127 0.0059 0.0002 -0.0001 -0.0027 -0.0001 0.0004 -0.0004 -0.0042 0.0008 0.0014 0.0000 0.0027 0.0005 0.0046 -0.0005 -0.0008 -0.0004 0.0005 -0.0008 0.0001 -0.0006 0.0004 -0.0004 0.0010 0.0003 0.0002 55. (0.98047) BD ( 1) C 1- C 2 ( 49.70%) 0.7050* C 1 s( 32.94%)p 2.03( 66.84%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5739 0.0076 0.0001 0.0004 0.0000 0.0000 -0.7792 0.0363 0.0001 -0.0022 0.1203 -0.0013 -0.0071 0.0009 0.2121 0.0198 0.0083 0.0006 0.0058 -0.0028 -0.0003 -0.0262 -0.0050 0.0005 0.0022 0.0020 -0.0010 0.0239 0.0094 -0.0009 0.0086 -0.0073 -0.0017 -0.0069 -0.0015 0.0024 0.0002 0.0039 -0.0002 0.0124 0.0012 0.0021 -0.0005 -0.0157 -0.0007 0.0024 0.0004 0.0029 0.0091 0.0015 -0.0008 0.0026 -0.0060 0.0005 0.0030 -0.0010 ( 50.30%) 0.7092* C 2 s( 33.31%)p 2.00( 66.47%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5771 0.0056 0.0001 0.0003 -0.0002 0.0000 0.6803 -0.0092 0.0053 0.0025 0.1110 -0.0013 -0.0064 0.0008 -0.4335 0.0387 0.0052 -0.0012 -0.0040 0.0033 -0.0005 -0.0065 -0.0109 -0.0010 0.0062 -0.0006 -0.0009 0.0342 0.0050 -0.0018 -0.0093 -0.0011 -0.0004 0.0067 0.0012 0.0006 -0.0008 0.0043 -0.0002 -0.0142 -0.0016 0.0022 -0.0004 0.0139 0.0007 0.0019 0.0003 -0.0038 0.0089 0.0014 0.0038 0.0027 -0.0044 -0.0001 0.0031 -0.0001 56. (0.97984) BD ( 1) C 1- C 5 ( 50.26%) 0.7090* C 1 s( 33.31%)p 2.00( 66.49%)d 0.00( 0.14%) f 0.00( 0.04%)g 0.00( 0.02%) 0.0000 0.5772 0.0026 0.0011 0.0004 -0.0002 0.0000 0.5966 -0.0365 -0.0018 0.0020 0.2265 -0.0078 -0.0065 0.0013 0.5061 0.0051 0.0077 0.0017 -0.0012 0.0037 0.0003 0.0197 0.0102 0.0008 0.0046 0.0048 -0.0008 0.0133 0.0045 -0.0010 0.0258 -0.0004 -0.0019 -0.0016 -0.0005 0.0119 0.0017 0.0047 0.0004 0.0137 0.0004 0.0038 0.0009 0.0047 0.0001 0.0074 0.0002 -0.0064 -0.0010 -0.0007 0.0093 0.0016 0.0008 0.0043 -0.0002 0.0000 ( 49.74%) 0.7052* C 5 s( 32.81%)p 2.04( 66.99%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5727 0.0051 0.0004 0.0005 -0.0002 0.0000 -0.4680 -0.0067 -0.0064 -0.0011 -0.0164 -0.0063 -0.0077 0.0008 -0.6699 0.0408 0.0036 -0.0021 0.0095 -0.0005 -0.0001 0.0211 0.0110 0.0006 0.0114 0.0011 -0.0005 0.0243 0.0027 -0.0021 -0.0004 0.0068 0.0005 -0.0013 0.0007 -0.0139 -0.0014 -0.0013 -0.0001 -0.0114 -0.0016 -0.0091 0.0000 -0.0065 0.0001 -0.0017 0.0001 -0.0064 0.0063 -0.0002 0.0077 0.0012 -0.0010 0.0025 0.0013 0.0003 57. (0.98376) BD ( 1) C 1- H 11 ( 61.81%) 0.7862* C 1 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5574 -0.0016 -0.0006 -0.0008 0.0002 0.0000 0.1775 0.0005 0.0015 -0.0010 -0.0892 -0.0062 -0.0031 0.0004 -0.8054 -0.0057 -0.0088 0.0048 -0.0016 -0.0005 -0.0003 -0.0030 -0.0046 -0.0002 0.0111 0.0022 -0.0005 0.0030 0.0001 -0.0018 0.0081 0.0119 -0.0004 -0.0188 -0.0014 0.0093 0.0011 -0.0055 -0.0007 -0.0048 0.0005 0.0012 0.0004 0.0010 -0.0002 0.0005 0.0002 0.0056 -0.0066 0.0019 -0.0025 -0.0018 0.0020 0.0002 0.0014 0.0006 ( 38.19%) 0.6180* H 11 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0022 0.0000 0.0001 0.0068 -0.0015 0.0005 -0.0047 0.0014 -0.0003 -0.0309 0.0019 -0.0012 -0.0004 -0.0001 -0.0039 -0.0009 0.0018 0.0007 -0.0007 0.0002 0.0102 0.0027 0.0062 -0.0038 0.0031 0.0007 -0.0011 0.0000 0.0002 58. (0.97874) BD ( 1) C 2- C 3 ( 50.01%) 0.7072* C 2 s( 32.84%)p 2.04( 66.95%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5730 0.0059 0.0003 0.0004 -0.0002 0.0000 -0.0300 0.0299 0.0067 0.0004 0.2497 -0.0069 -0.0073 0.0014 0.7774 -0.0275 0.0034 0.0024 0.0035 0.0014 -0.0009 0.0174 -0.0028 -0.0009 0.0025 0.0062 -0.0003 0.0138 -0.0030 -0.0018 0.0299 0.0097 -0.0003 0.0189 0.0014 0.0027 0.0008 0.0086 0.0010 0.0011 -0.0007 -0.0004 0.0003 0.0015 -0.0005 0.0055 -0.0002 0.0090 0.0011 0.0042 -0.0056 -0.0003 0.0009 -0.0018 0.0033 0.0013 ( 49.99%) 0.7070* C 3 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0065 0.0001 0.0004 -0.0002 0.0000 -0.1878 0.0352 0.0060 0.0000 0.0041 -0.0001 -0.0081 0.0005 -0.7959 0.0229 -0.0022 -0.0027 0.0010 0.0021 -0.0006 -0.0094 0.0061 0.0013 0.0169 -0.0013 -0.0004 0.0089 -0.0011 -0.0015 0.0308 0.0102 -0.0006 -0.0183 -0.0020 -0.0061 -0.0002 -0.0084 0.0001 -0.0040 0.0007 -0.0013 -0.0002 0.0005 -0.0003 0.0046 0.0000 0.0079 0.0073 0.0024 -0.0031 -0.0001 -0.0033 -0.0002 0.0023 0.0005 59. (0.98360) BD ( 1) C 2- H 12 ( 61.00%) 0.7810* C 2 s( 30.61%)p 2.26( 69.30%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5533 -0.0012 0.0000 -0.0007 0.0004 0.0000 -0.7196 -0.0040 -0.0084 0.0040 -0.0753 -0.0063 -0.0029 0.0005 -0.4115 -0.0010 -0.0050 0.0022 0.0098 0.0011 -0.0001 0.0045 0.0101 0.0004 0.0067 0.0001 -0.0004 0.0083 0.0076 -0.0012 -0.0004 -0.0018 -0.0011 0.0069 0.0012 -0.0028 -0.0001 -0.0002 0.0002 -0.0147 -0.0015 -0.0041 -0.0005 -0.0128 -0.0005 -0.0030 -0.0003 -0.0030 -0.0069 -0.0004 0.0037 -0.0007 0.0036 0.0018 0.0011 0.0012 ( 39.00%) 0.6245* H 12 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0009 -0.0017 0.0000 -0.0291 0.0014 -0.0016 -0.0056 -0.0005 -0.0003 -0.0157 0.0013 -0.0008 0.0020 0.0005 0.0087 0.0021 0.0009 0.0003 0.0064 0.0019 -0.0023 -0.0003 -0.0031 0.0008 0.0002 0.0054 0.0019 0.0039 0.0020 60. (0.98026) BD ( 1) C 3- C 4 ( 50.37%) 0.7098* C 3 s( 33.39%)p 1.99( 66.40%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5778 0.0054 0.0001 0.0003 -0.0002 0.0000 0.7484 -0.0161 0.0045 0.0027 0.2129 -0.0136 -0.0076 0.0010 0.2386 -0.0342 -0.0037 0.0005 -0.0035 0.0061 0.0000 -0.0026 0.0070 0.0013 0.0009 -0.0001 0.0000 0.0350 0.0070 -0.0018 -0.0087 -0.0044 -0.0010 -0.0084 -0.0003 -0.0069 -0.0016 0.0032 -0.0003 0.0057 0.0008 0.0025 -0.0002 0.0161 0.0010 0.0059 0.0009 0.0039 -0.0093 -0.0005 -0.0017 -0.0029 0.0035 0.0020 0.0034 0.0022 ( 49.63%) 0.7045* C 4 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0073 0.0002 0.0004 -0.0001 0.0000 -0.8098 0.0315 -0.0010 -0.0023 0.0629 -0.0081 -0.0094 0.0008 -0.0824 -0.0258 -0.0058 -0.0005 0.0139 -0.0018 -0.0005 0.0194 0.0012 -0.0008 0.0066 -0.0024 -0.0003 0.0275 0.0107 -0.0011 -0.0009 -0.0071 -0.0017 0.0011 0.0012 0.0096 0.0010 0.0028 0.0002 -0.0080 -0.0008 -0.0043 0.0004 -0.0169 -0.0011 -0.0028 0.0001 0.0078 -0.0050 0.0016 -0.0055 0.0001 0.0030 -0.0003 0.0043 0.0011 61. (0.98344) BD ( 1) C 3- H 13 ( 61.08%) 0.7815* C 3 s( 30.63%)p 2.26( 69.28%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5535 -0.0015 0.0002 -0.0007 0.0004 0.0000 -0.6237 -0.0040 -0.0070 0.0033 0.0782 -0.0059 -0.0013 -0.0003 0.5454 0.0038 0.0074 -0.0030 0.0059 -0.0019 -0.0003 -0.0081 -0.0110 -0.0005 -0.0042 0.0020 -0.0006 0.0085 0.0054 -0.0013 0.0047 0.0016 -0.0009 -0.0043 -0.0009 -0.0105 -0.0013 0.0030 0.0000 0.0145 0.0013 -0.0034 0.0000 -0.0093 -0.0003 0.0031 0.0003 -0.0057 0.0014 -0.0007 0.0068 0.0005 -0.0022 0.0019 0.0003 -0.0002 ( 38.92%) 0.6239* H 13 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0010 -0.0016 0.0000 -0.0258 0.0008 -0.0013 0.0003 -0.0010 0.0000 0.0218 -0.0017 0.0011 -0.0012 -0.0002 -0.0101 -0.0024 0.0005 0.0003 0.0045 0.0014 0.0011 0.0005 0.0018 0.0043 -0.0004 -0.0057 0.0007 0.0028 -0.0004 62. (0.98021) BD ( 1) C 4- C 5 ( 50.16%) 0.7083* C 4 s( 33.35%)p 1.99( 66.44%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5775 0.0022 0.0012 0.0003 -0.0002 0.0000 0.4785 -0.0364 -0.0033 0.0015 0.0438 -0.0092 -0.0087 0.0007 -0.6573 0.0057 -0.0046 -0.0024 -0.0053 -0.0003 0.0000 -0.0112 -0.0107 -0.0013 0.0146 -0.0022 -0.0007 0.0084 0.0037 -0.0012 0.0284 0.0054 -0.0015 -0.0060 -0.0008 0.0149 0.0020 -0.0041 0.0003 -0.0125 -0.0001 0.0035 0.0002 0.0012 0.0002 0.0020 0.0000 -0.0046 -0.0078 0.0004 0.0081 0.0001 0.0018 0.0020 0.0004 -0.0001 ( 49.84%) 0.7059* C 5 s( 32.97%)p 2.03( 66.82%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5742 0.0046 0.0005 0.0006 -0.0002 0.0000 -0.3313 -0.0137 -0.0066 -0.0007 0.2106 -0.0190 -0.0082 0.0015 0.7158 -0.0346 0.0005 0.0021 0.0001 -0.0032 -0.0002 -0.0252 -0.0079 0.0000 -0.0017 0.0045 0.0002 0.0216 0.0006 -0.0023 0.0114 0.0092 0.0004 0.0074 0.0000 -0.0165 -0.0018 0.0060 0.0004 0.0066 0.0008 -0.0012 -0.0008 -0.0059 0.0006 0.0031 0.0005 -0.0009 -0.0105 0.0008 0.0034 -0.0037 0.0030 0.0013 0.0019 0.0012 63. (0.98407) BD ( 1) C 4- H 14 ( 61.92%) 0.7869* C 4 s( 31.18%)p 2.20( 68.72%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5584 -0.0016 -0.0008 -0.0007 0.0002 0.0000 0.3323 0.0031 0.0031 -0.0018 0.1561 -0.0046 -0.0003 -0.0012 0.7431 0.0071 0.0089 -0.0044 -0.0022 0.0020 -0.0002 0.0060 0.0080 0.0005 -0.0040 0.0040 -0.0003 0.0064 0.0012 -0.0018 0.0105 0.0091 -0.0006 0.0107 0.0009 0.0142 0.0018 0.0094 0.0002 0.0064 0.0001 0.0059 0.0002 0.0016 -0.0002 0.0031 0.0001 0.0003 0.0087 0.0013 0.0021 0.0025 -0.0025 0.0003 0.0010 -0.0004 ( 38.08%) 0.6171* H 14 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0025 -0.0006 0.0001 0.0135 -0.0016 0.0007 0.0041 0.0006 -0.0001 0.0286 -0.0026 0.0009 0.0012 0.0003 0.0070 0.0017 0.0030 0.0008 0.0000 0.0004 0.0077 0.0022 -0.0040 -0.0061 -0.0020 -0.0025 -0.0014 -0.0005 -0.0005 64. (0.98392) BD ( 1) C 5- H 15 ( 62.80%) 0.7925* C 5 s( 31.74%)p 2.15( 68.17%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5633 -0.0020 -0.0004 -0.0010 0.0003 0.0000 0.8182 0.0084 0.0101 -0.0050 0.0603 -0.0092 -0.0014 -0.0007 -0.0912 0.0010 -0.0010 0.0006 -0.0077 0.0022 -0.0002 -0.0002 -0.0024 -0.0001 0.0016 0.0002 -0.0007 0.0103 0.0119 -0.0016 -0.0029 -0.0057 -0.0016 0.0024 0.0003 -0.0102 -0.0015 0.0001 0.0001 -0.0051 -0.0004 0.0001 -0.0001 0.0176 0.0012 0.0055 -0.0002 0.0060 0.0033 0.0016 -0.0052 -0.0002 -0.0014 -0.0010 0.0036 0.0005 ( 37.20%) 0.6099* H 15 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 0.0040 -0.0014 0.0000 0.0307 -0.0025 0.0006 0.0020 0.0020 -0.0002 -0.0024 0.0004 0.0000 0.0011 0.0002 -0.0020 -0.0006 -0.0010 0.0000 0.0085 0.0027 -0.0063 -0.0014 -0.0011 0.0044 0.0001 0.0015 -0.0001 -0.0068 -0.0003 65. (0.98032) BD ( 1) C 6- C 7 ( 49.85%) 0.7061* C 6 s( 33.24%)p 2.00( 66.55%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5765 0.0049 0.0003 0.0004 -0.0001 0.0000 -0.3251 -0.0006 0.0011 -0.0013 0.0628 0.0241 0.0097 0.0000 -0.7444 0.0340 -0.0014 -0.0021 -0.0202 0.0002 0.0023 0.0160 0.0075 -0.0001 -0.0200 -0.0017 0.0003 0.0004 0.0026 -0.0001 0.0144 0.0103 0.0002 -0.0107 -0.0003 -0.0148 -0.0016 0.0073 0.0010 0.0000 -0.0007 0.0062 0.0006 0.0013 -0.0006 0.0056 -0.0002 0.0014 0.0088 -0.0068 0.0029 -0.0015 0.0020 0.0021 -0.0025 0.0005 ( 50.15%) 0.7081* C 7 s( 33.28%)p 2.00( 66.52%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5768 0.0030 0.0010 0.0004 -0.0001 0.0000 0.2744 -0.0206 0.0032 0.0002 -0.3501 0.0314 0.0088 -0.0014 0.6825 -0.0069 0.0045 0.0026 -0.0082 -0.0028 0.0012 0.0149 0.0057 0.0006 0.0031 -0.0093 -0.0012 0.0044 0.0004 -0.0002 0.0306 0.0059 -0.0014 0.0087 0.0010 0.0130 0.0011 -0.0083 -0.0015 0.0029 0.0001 -0.0111 0.0001 -0.0026 -0.0001 0.0014 -0.0001 -0.0029 0.0069 -0.0063 -0.0001 -0.0069 0.0027 0.0011 -0.0007 -0.0001 66. (0.98005) BD ( 1) C 6- C 10 ( 49.79%) 0.7057* C 6 s( 33.12%)p 2.01( 66.67%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5755 0.0051 0.0003 0.0004 -0.0001 0.0000 -0.3829 0.0025 0.0012 -0.0014 0.3305 0.0097 0.0095 0.0007 0.6395 -0.0407 -0.0022 0.0017 -0.0268 -0.0031 0.0021 -0.0081 -0.0080 -0.0008 0.0211 0.0080 0.0001 -0.0070 0.0013 0.0000 -0.0016 0.0057 0.0003 -0.0007 -0.0009 -0.0101 -0.0007 0.0089 0.0008 -0.0064 0.0003 -0.0131 -0.0017 0.0063 -0.0001 0.0051 0.0001 -0.0075 -0.0029 0.0026 0.0003 -0.0086 0.0015 -0.0013 -0.0015 0.0003 ( 50.21%) 0.7086* C 10 s( 33.26%)p 2.00( 66.54%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5767 0.0032 0.0010 0.0004 -0.0001 0.0000 0.3225 -0.0211 0.0038 0.0004 -0.5760 0.0306 0.0065 -0.0024 -0.4775 -0.0069 -0.0072 -0.0017 -0.0147 -0.0056 0.0009 -0.0146 -0.0045 -0.0008 0.0161 0.0101 0.0000 0.0033 -0.0031 -0.0004 0.0240 -0.0014 -0.0019 0.0028 0.0008 0.0050 0.0009 -0.0097 -0.0014 0.0014 0.0008 0.0154 0.0007 -0.0090 -0.0003 -0.0004 0.0000 -0.0061 0.0019 -0.0030 -0.0005 -0.0092 0.0042 -0.0007 -0.0003 0.0003 67. (0.98374) BD ( 1) C 6- H 16 ( 62.34%) 0.7896* C 6 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5596 -0.0035 0.0004 -0.0007 0.0001 0.0000 0.5607 0.0129 0.0091 -0.0032 -0.5932 -0.0013 -0.0051 0.0039 0.1386 0.0008 0.0013 -0.0009 -0.0109 -0.0108 0.0014 0.0027 0.0025 -0.0002 0.0004 -0.0026 -0.0005 0.0093 -0.0010 0.0000 -0.0026 -0.0055 -0.0014 -0.0038 -0.0006 -0.0064 -0.0012 0.0059 0.0009 0.0002 0.0000 -0.0069 -0.0006 -0.0152 -0.0005 -0.0108 -0.0010 0.0053 -0.0029 0.0043 -0.0003 0.0043 -0.0020 -0.0014 -0.0036 -0.0004 ( 37.66%) 0.6137* H 16 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0013 -0.0013 0.0000 0.0234 -0.0037 0.0010 -0.0223 0.0014 -0.0005 0.0054 -0.0004 0.0001 -0.0089 -0.0025 0.0022 0.0006 -0.0025 -0.0005 -0.0005 0.0000 -0.0059 -0.0012 0.0017 0.0030 -0.0027 -0.0003 0.0024 0.0039 0.0051 68. (0.98008) BD ( 1) C 7- C 8 ( 49.73%) 0.7052* C 7 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0069 0.0004 0.0004 -0.0001 0.0000 -0.6411 0.0263 0.0039 -0.0021 0.5044 -0.0156 0.0077 0.0011 0.0327 0.0288 0.0054 0.0005 -0.0298 -0.0102 0.0012 -0.0098 -0.0012 0.0005 0.0161 -0.0022 -0.0006 -0.0110 0.0028 0.0004 -0.0024 -0.0071 -0.0017 0.0000 -0.0011 0.0047 0.0008 -0.0096 -0.0009 -0.0030 0.0004 -0.0059 -0.0006 0.0130 0.0006 0.0122 0.0009 0.0087 0.0026 -0.0010 -0.0009 0.0062 0.0012 0.0017 -0.0046 0.0002 ( 50.27%) 0.7090* C 8 s( 33.20%)p 2.01( 66.58%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5762 0.0054 0.0006 0.0004 -0.0002 0.0000 0.4249 -0.0047 0.0084 0.0012 -0.6660 0.0208 0.0027 -0.0025 -0.2001 0.0340 0.0042 -0.0003 -0.0348 -0.0084 0.0018 0.0047 -0.0051 -0.0008 -0.0040 0.0041 0.0009 0.0057 -0.0049 -0.0001 -0.0082 -0.0053 -0.0012 0.0070 0.0000 -0.0085 -0.0011 0.0032 0.0013 0.0017 -0.0003 0.0046 0.0006 -0.0151 -0.0012 -0.0100 -0.0002 0.0057 0.0058 -0.0061 0.0024 0.0035 0.0029 0.0013 -0.0041 0.0015 69. (0.98270) BD ( 1) C 7- H 17 ( 61.91%) 0.7868* C 7 s( 31.13%)p 2.21( 68.78%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5579 -0.0015 -0.0007 -0.0007 0.0002 0.0000 0.1846 0.0050 0.0045 -0.0011 -0.3531 0.0011 -0.0019 0.0022 -0.7272 -0.0068 -0.0082 0.0045 -0.0062 -0.0022 0.0018 -0.0085 -0.0040 -0.0005 0.0011 0.0087 0.0001 0.0031 -0.0016 0.0000 0.0099 0.0084 -0.0007 -0.0092 -0.0006 0.0065 0.0012 -0.0160 -0.0014 0.0045 0.0001 0.0087 0.0003 -0.0041 0.0000 0.0002 0.0002 -0.0012 -0.0055 0.0064 -0.0020 -0.0036 -0.0012 -0.0020 -0.0007 -0.0004 ( 38.09%) 0.6172* H 17 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0024 -0.0003 0.0001 0.0082 -0.0012 0.0003 -0.0122 0.0012 -0.0005 -0.0291 0.0016 -0.0012 -0.0006 -0.0006 -0.0043 -0.0010 0.0074 0.0018 -0.0013 -0.0003 0.0073 0.0020 0.0033 -0.0036 0.0054 -0.0011 -0.0032 0.0008 0.0003 70. (0.97879) BD ( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0059 0.0006 0.0004 -0.0003 0.0000 -0.2030 0.0273 0.0097 -0.0006 0.1291 -0.0235 0.0020 -0.0004 0.7816 -0.0193 0.0035 0.0027 -0.0091 0.0004 0.0015 0.0139 -0.0064 -0.0012 0.0053 0.0036 0.0007 -0.0016 -0.0017 0.0006 0.0326 0.0100 -0.0008 0.0181 0.0019 -0.0022 -0.0006 0.0102 0.0002 -0.0015 -0.0001 -0.0052 0.0007 -0.0039 0.0002 0.0028 0.0002 0.0066 -0.0056 0.0073 0.0002 0.0015 -0.0024 -0.0029 -0.0021 0.0004 ( 50.00%) 0.7071* C 9 s( 32.75%)p 2.05( 67.03%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5723 0.0057 0.0007 0.0004 -0.0003 0.0000 -0.1356 0.0246 0.0102 -0.0005 -0.1746 -0.0146 0.0007 -0.0014 -0.7872 0.0286 -0.0030 -0.0025 -0.0151 0.0025 0.0020 -0.0146 0.0043 0.0006 0.0134 0.0033 -0.0006 -0.0021 -0.0019 0.0007 0.0277 0.0111 -0.0002 -0.0191 -0.0014 -0.0003 0.0002 -0.0086 -0.0014 -0.0006 0.0005 0.0022 -0.0005 -0.0054 0.0005 0.0022 0.0004 0.0091 -0.0002 0.0051 -0.0006 0.0051 -0.0013 0.0012 -0.0033 0.0006 71. (0.98356) BD ( 1) C 8- H 18 ( 61.23%) 0.7825* C 8 s( 30.67%)p 2.26( 69.24%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5538 -0.0017 -0.0001 -0.0007 0.0004 0.0000 -0.4716 -0.0001 -0.0038 0.0026 0.3547 0.0072 0.0058 -0.0020 -0.5865 -0.0052 -0.0079 0.0034 -0.0085 -0.0046 0.0014 0.0023 0.0093 0.0002 -0.0089 -0.0063 -0.0008 -0.0050 0.0016 0.0002 0.0054 0.0030 -0.0009 0.0021 0.0007 -0.0114 -0.0011 0.0067 0.0011 -0.0034 0.0000 0.0142 0.0012 0.0034 -0.0001 0.0080 0.0003 -0.0059 0.0001 -0.0009 0.0003 -0.0072 0.0003 -0.0020 -0.0003 0.0000 ( 38.77%) 0.6227* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0013 -0.0013 0.0001 -0.0177 0.0014 -0.0009 0.0166 -0.0004 0.0008 -0.0236 0.0021 -0.0012 -0.0038 -0.0013 0.0078 0.0019 -0.0068 -0.0015 0.0012 0.0002 0.0023 0.0008 -0.0010 0.0039 -0.0033 0.0007 -0.0055 -0.0014 -0.0020 72. (0.97991) BD ( 1) C 9- C 10 ( 50.24%) 0.7088* C 9 s( 33.13%)p 2.01( 66.65%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5756 0.0056 0.0006 0.0004 -0.0002 0.0000 0.3919 -0.0018 0.0088 0.0010 -0.5393 0.0065 0.0012 -0.0021 0.4694 -0.0393 -0.0045 0.0013 -0.0339 -0.0053 0.0020 0.0108 0.0077 0.0002 -0.0024 -0.0084 -0.0012 0.0057 -0.0033 0.0004 -0.0082 -0.0001 -0.0003 -0.0070 -0.0012 -0.0006 -0.0003 -0.0055 0.0005 0.0029 -0.0003 -0.0146 -0.0017 -0.0104 -0.0007 -0.0087 -0.0001 -0.0053 -0.0048 0.0062 -0.0020 -0.0057 -0.0028 -0.0028 -0.0026 -0.0002 ( 49.76%) 0.7054* C 10 s( 32.89%)p 2.03( 66.89%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5735 0.0071 0.0002 0.0005 0.0000 0.0000 -0.6331 0.0282 0.0045 -0.0021 0.4406 -0.0247 0.0052 0.0008 -0.2684 -0.0180 -0.0076 -0.0010 -0.0228 -0.0089 0.0009 0.0188 0.0063 -0.0007 -0.0185 -0.0025 -0.0004 -0.0057 0.0028 0.0004 0.0120 -0.0065 -0.0019 0.0067 0.0015 -0.0023 -0.0002 -0.0028 0.0003 0.0020 -0.0006 0.0141 0.0012 0.0075 0.0002 0.0125 0.0007 0.0011 -0.0066 0.0072 -0.0021 -0.0016 -0.0032 -0.0051 -0.0024 -0.0010 73. (0.98336) BD ( 1) C 9- H 19 ( 61.21%) 0.7824* C 9 s( 30.65%)p 2.26( 69.25%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5537 -0.0015 -0.0001 -0.0007 0.0004 0.0000 -0.5111 -0.0002 -0.0046 0.0029 0.5421 0.0085 0.0082 -0.0031 0.3704 0.0017 0.0048 -0.0021 -0.0097 -0.0082 0.0012 0.0006 -0.0068 -0.0005 0.0071 0.0063 0.0001 -0.0088 -0.0002 0.0000 -0.0003 -0.0028 -0.0012 -0.0072 -0.0012 -0.0009 0.0000 0.0001 -0.0003 -0.0018 -0.0003 -0.0144 -0.0015 0.0105 0.0006 0.0097 0.0003 -0.0016 0.0056 -0.0055 0.0006 -0.0024 0.0034 0.0024 -0.0017 0.0008 ( 38.79%) 0.6228* H 19 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9993 0.0013 -0.0014 0.0001 -0.0188 0.0017 -0.0010 0.0240 -0.0012 0.0012 0.0141 -0.0014 0.0006 -0.0070 -0.0021 -0.0056 -0.0013 0.0060 0.0015 -0.0009 -0.0003 -0.0031 -0.0005 0.0032 0.0000 0.0000 0.0011 0.0054 -0.0042 -0.0024 74. (0.98236) BD ( 1) C 10- H 20 ( 61.84%) 0.7864* C 10 s( 31.09%)p 2.21( 68.81%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5576 -0.0015 -0.0006 -0.0008 0.0002 0.0000 0.1218 0.0044 0.0037 -0.0007 -0.0521 0.0036 0.0013 0.0003 0.8188 0.0056 0.0088 -0.0050 -0.0028 -0.0004 0.0019 0.0092 0.0030 -0.0002 0.0063 -0.0016 -0.0004 0.0016 0.0001 0.0001 0.0091 0.0127 -0.0005 0.0205 0.0016 0.0070 0.0009 -0.0026 -0.0002 0.0007 0.0001 -0.0042 0.0005 -0.0010 -0.0001 0.0002 0.0002 0.0071 0.0045 -0.0025 0.0009 0.0034 0.0011 0.0010 -0.0017 0.0003 ( 38.16%) 0.6177* H 20 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) 0.9994 -0.0023 0.0000 0.0001 0.0062 -0.0008 0.0003 -0.0003 0.0005 0.0000 0.0322 -0.0019 0.0014 0.0012 -0.0001 0.0028 0.0008 -0.0013 -0.0002 0.0003 0.0000 0.0109 0.0028 -0.0071 -0.0036 0.0003 -0.0005 0.0005 0.0000 0.0001 75. (0.98745) BD ( 1) S 21- S 22 ( 46.17%) 0.6795* S 21 s( 9.23%)p 9.69( 89.45%)d 0.13( 1.20%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3001 0.0474 0.0014 0.0005 0.0003 0.0000 0.0000 0.0000 0.8084 0.0474 0.0005 0.0014 0.0000 0.0000 0.4884 0.0073 -0.0032 0.0019 -0.0001 0.0000 -0.0054 -0.0086 -0.0012 0.0007 -0.0001 0.0838 0.0088 0.0010 0.0000 0.0337 -0.0102 0.0009 0.0001 0.0204 -0.0078 0.0008 -0.0001 0.0201 0.0218 0.0001 -0.0001 -0.0467 -0.0113 -0.0002 -0.0001 0.0005 -0.0013 -0.0155 -0.0020 -0.0093 -0.0007 -0.0045 0.0019 0.0055 -0.0002 0.0041 -0.0003 0.0262 0.0025 0.0032 -0.0010 -0.0002 -0.0034 -0.0033 0.0006 -0.0001 -0.0027 0.0065 ( 53.83%) 0.7337* S 22 s( 14.08%)p 6.00( 84.53%)d 0.09( 1.23%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3723 0.0471 -0.0006 0.0000 0.0001 0.0000 0.0000 0.0000 -0.7912 -0.0289 0.0052 -0.0004 0.0001 0.0000 -0.4649 -0.0231 -0.0015 0.0005 0.0000 0.0000 0.0032 -0.0416 -0.0077 0.0004 -0.0001 0.0760 0.0032 -0.0028 0.0002 -0.0109 0.0065 0.0004 -0.0002 -0.0029 0.0033 0.0007 -0.0001 0.0594 -0.0068 0.0003 0.0002 -0.0524 -0.0027 0.0012 -0.0001 0.0033 0.0000 0.0173 -0.0012 0.0083 -0.0001 -0.0036 -0.0006 -0.0034 0.0005 -0.0040 0.0004 -0.0315 0.0019 0.0044 -0.0019 -0.0009 -0.0040 -0.0053 -0.0001 0.0019 -0.0039 0.0084 76. (0.98996) BD ( 1) S 21-Sc 26 ( 86.77%) 0.9315* S 21 s( 41.05%)p 1.43( 58.58%)d 0.01( 0.34%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.6404 -0.0189 -0.0021 0.0002 0.0002 0.0000 0.0000 0.0000 -0.4725 0.0007 0.0071 0.0005 -0.0001 0.0000 0.4020 -0.0067 -0.0035 -0.0018 0.0000 0.0000 0.4481 -0.0078 -0.0072 -0.0008 0.0000 -0.0286 0.0045 0.0004 -0.0001 -0.0309 0.0095 0.0008 -0.0001 0.0361 -0.0090 -0.0012 0.0000 -0.0072 -0.0005 -0.0003 0.0000 0.0110 -0.0008 0.0003 0.0001 -0.0089 0.0014 -0.0048 0.0013 0.0036 -0.0003 0.0050 -0.0006 -0.0063 0.0011 -0.0055 0.0005 0.0053 -0.0011 -0.0013 -0.0002 -0.0001 0.0007 -0.0015 0.0004 0.0019 -0.0010 -0.0008 ( 13.23%) 0.3637*Sc 26 s( 25.33%)p 0.00( 0.11%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 0.5028 0.0232 -0.0053 -0.0012 -0.0009 0.0002 0.0000 0.0000 0.0000 0.0000 0.0058 0.0146 -0.0063 -0.0001 0.0000 0.0000 -0.0017 -0.0106 0.0036 0.0010 0.0000 0.0000 -0.0057 -0.0205 0.0128 -0.0049 -0.4049 -0.0160 0.0015 -0.0014 0.0013 -0.6227 -0.0275 -0.0011 -0.0063 0.0012 0.3006 0.0437 0.0076 -0.0011 -0.0010 0.2284 -0.0192 -0.0042 0.0011 -0.0002 0.2142 0.0149 -0.0077 -0.0005 0.0012 0.0172 0.0003 0.0019 -0.0131 0.0053 0.0009 0.0118 -0.0060 0.0012 -0.0083 -0.0027 -0.0006 0.0014 0.0039 0.0011 0.0067 0.0003 0.0001 0.0048 -0.0001 -0.0025 -0.0088 -0.0047 0.0172 -0.0002 0.0010 0.0002 0.0071 -0.0008 -0.0094 -0.0035 -0.0049 -0.0017 0.0159 0.0034 0.0059 0.0008 0.0021 -0.0007 77. (0.94401) BD ( 2) S 21-Sc 26 ( 94.50%) 0.9721* S 21 s( 0.00%)p 1.00( 99.76%)d 0.00( 0.20%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0021 -0.0036 0.0001 -0.0001 0.0001 0.0000 0.0000 0.0000 0.3156 -0.0011 0.0036 -0.0003 0.0000 0.0000 -0.5175 0.0050 -0.0030 0.0011 0.0000 0.0000 0.7938 -0.0061 0.0034 -0.0007 0.0000 0.0104 -0.0031 0.0005 -0.0001 0.0172 -0.0003 -0.0005 -0.0001 0.0212 -0.0028 -0.0005 0.0000 0.0225 -0.0030 -0.0007 0.0000 0.0227 -0.0075 -0.0003 0.0002 -0.0024 -0.0008 -0.0078 0.0009 0.0069 -0.0012 0.0074 -0.0006 0.0116 -0.0008 0.0079 -0.0002 -0.0022 0.0005 0.0000 -0.0023 0.0002 0.0001 -0.0005 -0.0004 0.0011 0.0013 0.0008 ( 5.50%) 0.2344*Sc 26 s( 0.42%)p 2.22( 0.93%)d99.99( 96.91%) f 1.73( 0.72%)g 2.44( 1.02%) 0.0000 0.0000 0.0000 0.0639 -0.0093 -0.0040 0.0002 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.0276 0.0010 -0.0091 0.0091 0.0000 0.0000 -0.0063 -0.0053 0.0006 -0.0010 0.0000 0.0000 0.0780 -0.0111 -0.0408 0.0212 -0.3569 0.0235 0.0143 0.0023 -0.0003 0.2473 -0.0945 0.0153 0.0029 0.0006 0.4715 -0.0827 -0.0231 0.0033 0.0030 -0.0184 0.0071 0.0031 -0.0006 0.0006 -0.7302 0.0761 0.0389 -0.0020 -0.0013 -0.0516 0.0223 -0.0069 0.0280 -0.0071 0.0031 -0.0231 0.0108 -0.0034 -0.0207 -0.0001 0.0007 -0.0359 0.0148 -0.0030 0.0231 -0.0023 0.0011 -0.0039 -0.0035 0.0002 -0.0192 0.0029 -0.0651 0.0090 0.0489 -0.0071 -0.0142 0.0010 -0.0302 0.0034 -0.0325 0.0063 -0.0225 0.0025 0.0173 -0.0004 -0.0048 0.0020 78. (0.99484) BD ( 1) S 22- S 23 ( 49.42%) 0.7030* S 22 s( 12.00%)p 7.22( 86.65%)d 0.10( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3435 0.0444 0.0015 0.0003 0.0000 0.0000 0.0000 0.0000 0.3103 0.0484 0.0042 0.0003 0.0001 0.0000 -0.2605 0.0009 0.0015 0.0000 0.0001 0.0000 0.8361 0.0323 -0.0007 0.0006 -0.0001 -0.0169 -0.0041 0.0005 -0.0001 0.0528 0.0045 0.0007 0.0000 -0.0436 -0.0006 0.0015 -0.0002 0.0052 -0.0017 0.0007 0.0000 0.0854 0.0006 -0.0007 0.0001 0.0113 0.0013 0.0222 0.0003 -0.0154 0.0000 0.0097 -0.0008 -0.0069 -0.0005 0.0035 -0.0006 -0.0020 0.0004 0.0010 0.0078 -0.0033 0.0032 -0.0041 0.0000 -0.0033 -0.0006 -0.0015 ( 50.58%) 0.7112* S 23 s( 11.83%)p 7.33( 86.77%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3409 0.0458 0.0005 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4398 0.0017 0.0036 -0.0004 0.0001 0.0000 0.2898 0.0035 -0.0027 0.0000 -0.0001 0.0000 -0.7664 0.0532 -0.0017 -0.0007 0.0000 -0.0290 0.0028 0.0013 -0.0001 0.0798 0.0031 -0.0012 0.0002 -0.0472 -0.0023 0.0014 -0.0002 0.0190 -0.0012 -0.0002 0.0000 0.0534 0.0029 0.0005 0.0001 -0.0149 0.0013 -0.0219 -0.0001 0.0106 -0.0004 -0.0087 0.0000 0.0140 0.0000 0.0002 -0.0003 0.0065 -0.0006 0.0006 0.0076 -0.0047 0.0035 -0.0041 0.0002 -0.0025 -0.0003 -0.0008 79. (0.99479) BD ( 1) S 23- S 24 ( 50.51%) 0.7107* S 23 s( 11.79%)p 7.36( 86.82%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3404 0.0457 0.0004 0.0002 0.0000 0.0000 0.0000 0.0000 -0.4545 0.0029 0.0037 -0.0003 0.0001 0.0000 0.5386 -0.0150 -0.0020 0.0001 -0.0001 0.0000 0.6071 -0.0509 0.0027 0.0005 0.0000 -0.0566 0.0016 0.0017 -0.0002 -0.0654 -0.0039 0.0006 -0.0001 0.0707 0.0028 -0.0009 0.0002 -0.0013 -0.0021 0.0002 0.0000 0.0124 0.0011 0.0012 -0.0001 -0.0003 -0.0006 -0.0118 0.0000 0.0186 -0.0011 -0.0032 0.0007 -0.0223 -0.0001 0.0084 -0.0003 0.0084 -0.0005 -0.0048 -0.0027 0.0024 -0.0015 -0.0071 0.0041 0.0028 -0.0019 0.0001 ( 49.49%) 0.7035* S 24 s( 12.01%)p 7.22( 86.66%)d 0.10( 1.22%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3437 0.0442 0.0018 0.0002 0.0000 0.0000 0.0000 0.0000 0.3300 0.0489 0.0039 0.0002 0.0001 0.0000 -0.5350 -0.0092 0.0018 -0.0002 0.0001 0.0000 -0.6841 -0.0296 0.0002 -0.0006 0.0001 -0.0360 -0.0055 0.0002 -0.0001 -0.0457 -0.0031 -0.0008 0.0000 0.0817 0.0002 -0.0013 0.0002 -0.0164 -0.0017 0.0012 -0.0001 0.0423 0.0001 0.0003 0.0000 0.0066 -0.0010 0.0151 0.0001 -0.0192 -0.0006 0.0020 0.0007 0.0187 0.0002 -0.0022 -0.0009 -0.0039 0.0007 -0.0032 -0.0030 0.0021 -0.0014 -0.0070 0.0044 0.0034 -0.0023 -0.0007 80. (0.98698) BD ( 1) S 24- S 25 ( 53.73%) 0.7330* S 24 s( 13.96%)p 6.06( 84.66%)d 0.09( 1.22%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3709 0.0457 -0.0007 0.0001 0.0001 0.0000 0.0000 0.0000 -0.7761 -0.0269 0.0058 -0.0004 0.0001 0.0000 -0.4625 -0.0091 0.0006 0.0002 0.0001 0.0000 0.1646 0.0482 0.0075 -0.0006 0.0001 0.0776 0.0010 -0.0028 0.0003 -0.0167 -0.0079 0.0007 0.0001 -0.0099 -0.0064 0.0003 0.0000 0.0556 -0.0058 0.0006 0.0002 -0.0505 0.0007 0.0014 -0.0002 -0.0103 0.0000 0.0130 -0.0010 0.0075 -0.0001 0.0117 -0.0001 0.0113 -0.0010 -0.0045 0.0006 -0.0279 0.0020 0.0024 0.0051 0.0026 -0.0024 -0.0029 -0.0007 -0.0061 -0.0029 0.0078 ( 46.27%) 0.6802* S 25 s( 9.16%)p 9.77( 89.49%)d 0.13( 1.23%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.2992 0.0454 0.0013 0.0005 0.0003 0.0000 0.0000 0.0000 0.7958 0.0463 0.0009 0.0013 0.0000 0.0000 0.4821 0.0104 -0.0027 0.0015 0.0000 0.0000 -0.1639 0.0046 0.0022 -0.0012 0.0001 0.0698 0.0127 0.0006 0.0000 -0.0611 0.0060 -0.0012 0.0000 -0.0380 0.0065 -0.0007 -0.0001 0.0244 0.0190 0.0003 -0.0002 -0.0293 -0.0154 0.0003 -0.0001 0.0068 0.0017 -0.0105 -0.0017 -0.0062 -0.0005 -0.0021 -0.0024 -0.0116 -0.0008 0.0051 -0.0003 0.0264 0.0015 0.0024 0.0033 0.0013 -0.0027 -0.0024 -0.0014 -0.0034 -0.0026 0.0057 81. (0.99031) BD ( 1) S 25-Sc 26 ( 86.74%) 0.9313* S 25 s( 40.97%)p 1.43( 58.66%)d 0.01( 0.36%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 0.6398 -0.0178 -0.0023 0.0003 0.0002 0.0000 0.0000 0.0000 -0.4776 0.0005 0.0072 0.0005 -0.0001 0.0000 0.2092 -0.0039 -0.0011 -0.0013 0.0000 0.0000 -0.5608 0.0097 0.0080 0.0013 0.0000 -0.0174 0.0011 0.0001 0.0000 0.0395 -0.0102 -0.0008 0.0001 -0.0248 0.0063 0.0009 0.0000 0.0043 -0.0030 -0.0006 0.0000 0.0296 -0.0053 -0.0004 0.0001 0.0045 -0.0009 -0.0066 0.0016 0.0057 -0.0008 -0.0089 0.0013 0.0005 -0.0001 -0.0066 0.0007 0.0018 -0.0006 -0.0012 0.0011 -0.0003 0.0019 -0.0008 0.0008 -0.0014 -0.0001 -0.0007 ( 13.26%) 0.3642*Sc 26 s( 25.34%)p 0.00( 0.10%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 0.5028 0.0232 -0.0051 -0.0007 -0.0011 0.0001 0.0000 0.0000 0.0000 0.0000 0.0052 0.0146 -0.0061 0.0004 0.0000 0.0000 0.0001 -0.0041 0.0001 0.0028 0.0000 0.0000 0.0043 0.0235 -0.0123 0.0038 -0.2056 -0.0056 0.0031 0.0004 0.0008 0.7099 0.0359 0.0005 0.0065 -0.0015 -0.0881 -0.0334 -0.0117 0.0011 0.0013 0.2801 -0.0055 -0.0013 0.0011 -0.0003 0.3274 0.0386 -0.0018 -0.0010 0.0004 -0.0211 0.0029 -0.0020 -0.0107 0.0069 0.0012 0.0022 -0.0023 -0.0001 0.0033 0.0050 0.0012 -0.0032 -0.0012 -0.0004 0.0080 0.0011 0.0006 0.0076 0.0016 -0.0021 -0.0079 -0.0027 -0.0076 0.0020 -0.0020 -0.0032 0.0158 0.0027 -0.0138 -0.0007 0.0120 0.0035 -0.0046 -0.0017 0.0098 0.0019 0.0070 0.0007 82. (0.94263) BD ( 2) S 25-Sc 26 ( 94.53%) 0.9722* S 25 s( 0.01%)p 1.00( 99.75%)d 0.00( 0.21%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.0076 -0.0029 0.0003 -0.0002 0.0001 0.0000 0.0000 0.0000 0.3354 -0.0012 0.0036 -0.0004 0.0000 0.0000 -0.7464 0.0067 -0.0038 0.0013 0.0000 0.0000 -0.5725 0.0039 -0.0024 0.0002 0.0000 0.0054 -0.0028 0.0006 0.0000 -0.0207 0.0015 0.0003 0.0001 0.0020 -0.0024 -0.0001 0.0001 0.0269 -0.0030 -0.0009 0.0000 0.0287 -0.0071 -0.0006 0.0002 -0.0021 0.0014 -0.0015 0.0004 0.0029 0.0001 -0.0080 0.0006 -0.0099 0.0010 0.0123 -0.0006 -0.0045 0.0007 0.0000 0.0019 0.0001 0.0005 0.0012 -0.0003 -0.0001 0.0016 0.0011 ( 5.47%) 0.2340*Sc 26 s( 0.35%)p 2.73( 0.95%)d99.99( 96.88%) f 2.17( 0.75%)g 3.07( 1.07%) 0.0000 0.0000 0.0000 0.0573 -0.0129 -0.0040 -0.0028 0.0007 0.0007 0.0000 0.0000 0.0000 0.0000 0.0320 -0.0010 -0.0090 0.0063 0.0000 0.0000 -0.0301 -0.0012 0.0118 -0.0082 0.0000 0.0000 -0.0725 0.0120 0.0384 -0.0192 -0.3880 0.0475 0.0013 0.0030 0.0001 -0.1316 0.0827 -0.0194 -0.0035 -0.0003 -0.7638 0.1110 0.0405 -0.0041 -0.0027 0.1825 -0.0280 -0.0063 0.0006 0.0011 -0.3985 0.0251 0.0229 -0.0008 0.0005 0.0518 -0.0230 0.0075 0.0068 0.0013 0.0012 0.0250 -0.0094 0.0024 0.0221 0.0014 -0.0006 0.0520 -0.0161 0.0040 0.0019 0.0034 -0.0003 0.0016 -0.0041 0.0003 0.0359 -0.0039 0.0596 -0.0084 -0.0444 0.0057 0.0082 -0.0022 0.0445 -0.0056 0.0286 -0.0058 0.0270 -0.0027 0.0068 0.0011 0.0058 -0.0020 83. (0.94823) 3C ( 1) C 1- C 4- C 5 ( 22.04%) 0.4695* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1563 -0.0291 0.0007 0.0011 -0.0004 0.0000 0.0268 0.0004 0.0122 0.0026 -0.9594 -0.0094 0.0047 0.0006 0.2197 0.0266 0.0017 0.0027 0.0061 -0.0201 -0.0005 0.0058 -0.0014 0.0019 -0.0525 -0.0009 -0.0016 -0.0090 0.0091 -0.0009 0.0056 0.0047 0.0006 -0.0013 0.0013 0.0022 0.0015 -0.0236 -0.0011 0.0059 0.0022 0.0082 -0.0035 -0.0003 0.0006 -0.0097 -0.0018 -0.0039 0.0025 0.0054 0.0013 -0.0050 0.0015 -0.0053 0.0021 0.0039 ( 22.60%) 0.4754* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1509 -0.0282 0.0006 0.0010 -0.0005 0.0000 0.0223 -0.0060 0.0123 0.0023 -0.9816 -0.0172 0.0030 -0.0002 0.0834 -0.0230 -0.0050 -0.0034 0.0135 -0.0177 -0.0007 -0.0083 0.0068 -0.0014 0.0419 0.0087 0.0017 -0.0259 0.0086 -0.0019 -0.0190 0.0007 0.0002 0.0135 0.0003 0.0099 -0.0002 -0.0131 -0.0032 0.0100 -0.0001 -0.0078 0.0032 0.0037 -0.0010 -0.0111 -0.0014 0.0010 0.0014 -0.0021 0.0016 -0.0092 0.0012 0.0025 -0.0001 0.0049 ( 55.36%) 0.7440* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 0.1491 -0.0270 -0.0017 0.0008 -0.0004 0.0000 -0.0128 -0.0305 0.0031 -0.0018 -0.9725 -0.0301 0.0093 -0.0012 0.1604 0.0074 -0.0014 0.0002 0.0416 -0.0002 -0.0001 -0.0070 0.0000 0.0000 -0.0114 0.0024 -0.0006 -0.0219 0.0088 -0.0018 -0.0096 0.0031 -0.0008 0.0033 0.0009 -0.0050 -0.0006 -0.0051 -0.0018 0.0034 0.0008 0.0028 -0.0004 0.0109 -0.0008 -0.0209 -0.0014 0.0010 -0.0039 -0.0017 0.0010 0.0100 -0.0021 0.0032 0.0005 -0.0044 84. (0.94711) 3C ( 1) C 6- C 7- C 10 ( 54.77%) 0.7401* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 0.1438 -0.0226 -0.0047 0.0008 -0.0003 0.0000 0.6559 -0.0046 -0.0060 -0.0004 0.7283 0.0420 -0.0090 0.0020 -0.1134 -0.0081 0.0015 -0.0003 0.0173 -0.0076 0.0013 -0.0046 0.0015 -0.0003 -0.0107 0.0006 -0.0001 -0.0434 0.0014 -0.0003 -0.0078 0.0016 -0.0002 -0.0034 -0.0009 0.0013 0.0008 0.0072 0.0019 0.0034 -0.0005 0.0012 0.0005 0.0102 0.0016 -0.0218 -0.0003 0.0013 -0.0002 -0.0043 -0.0097 -0.0017 0.0028 -0.0040 0.0003 -0.0044 ( 22.49%) 0.4742* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1551 -0.0273 -0.0006 0.0009 -0.0006 0.0000 0.6889 0.0039 0.0049 0.0020 0.7022 0.0170 -0.0124 -0.0017 -0.0477 0.0224 0.0071 0.0041 0.0221 -0.0071 0.0017 0.0340 0.0023 0.0021 0.0257 0.0111 0.0003 -0.0173 0.0178 0.0005 -0.0152 0.0012 0.0005 -0.0110 0.0002 0.0170 0.0026 0.0036 0.0026 -0.0101 0.0030 0.0085 -0.0001 0.0064 0.0016 -0.0112 -0.0001 0.0007 -0.0011 -0.0004 0.0097 -0.0010 0.0013 0.0003 -0.0011 0.0049 ( 22.74%) 0.4769* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1586 -0.0288 -0.0005 0.0009 -0.0005 0.0000 0.6892 0.0069 0.0054 0.0021 0.6826 0.0080 -0.0143 -0.0030 -0.1665 -0.0260 -0.0019 -0.0030 0.0114 -0.0069 0.0008 -0.0402 0.0012 -0.0025 -0.0334 -0.0022 0.0003 -0.0024 0.0201 0.0007 -0.0005 0.0055 0.0001 0.0044 -0.0010 0.0177 0.0017 0.0168 0.0000 0.0059 -0.0035 0.0035 0.0019 0.0067 0.0014 -0.0064 -0.0018 -0.0033 0.0036 0.0055 0.0038 -0.0013 -0.0040 0.0049 -0.0023 0.0030 85. (0.63631) 3Cn( 1) C 1- C 4- C 5 ( 50.93%) 0.7137* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1563 -0.0291 0.0007 0.0011 -0.0004 0.0000 0.0268 0.0004 0.0122 0.0026 -0.9594 -0.0094 0.0047 0.0006 0.2197 0.0266 0.0017 0.0027 0.0061 -0.0201 -0.0005 0.0058 -0.0014 0.0019 -0.0525 -0.0009 -0.0016 -0.0090 0.0091 -0.0009 0.0056 0.0047 0.0006 -0.0013 0.0013 0.0022 0.0015 -0.0236 -0.0011 0.0059 0.0022 0.0082 -0.0035 -0.0003 0.0006 -0.0097 -0.0018 -0.0039 0.0025 0.0054 0.0013 -0.0050 0.0015 -0.0053 0.0021 0.0039 ( 49.07%) 0.7005* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 -0.1509 0.0282 -0.0006 -0.0010 0.0005 0.0000 -0.0223 0.0060 -0.0123 -0.0023 0.9816 0.0172 -0.0030 0.0002 -0.0834 0.0230 0.0050 0.0034 -0.0135 0.0177 0.0007 0.0083 -0.0068 0.0014 -0.0419 -0.0087 -0.0017 0.0259 -0.0086 0.0019 0.0190 -0.0007 -0.0002 -0.0135 -0.0003 -0.0099 0.0002 0.0131 0.0032 -0.0100 0.0001 0.0078 -0.0032 -0.0037 0.0010 0.0111 0.0014 -0.0010 -0.0014 0.0021 -0.0016 0.0092 -0.0012 -0.0025 0.0001 -0.0049 ( 0.00%) 0.0028* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 -0.1491 0.0270 0.0017 -0.0008 0.0004 0.0000 0.0128 0.0305 -0.0031 0.0018 0.9725 0.0301 -0.0093 0.0012 -0.1604 -0.0074 0.0014 -0.0002 -0.0416 0.0002 0.0001 0.0070 0.0000 0.0000 0.0114 -0.0024 0.0006 0.0219 -0.0088 0.0018 0.0096 -0.0031 0.0008 -0.0033 -0.0009 0.0050 0.0006 0.0051 0.0018 -0.0034 -0.0008 -0.0028 0.0004 -0.0109 0.0008 0.0209 0.0014 -0.0010 0.0039 0.0017 -0.0010 -0.0100 0.0021 -0.0032 -0.0005 0.0044 86. (0.63707) 3Cn( 1) C 6- C 7- C 10 ( 0.00%) 0.0045* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 -0.1438 0.0226 0.0047 -0.0008 0.0003 0.0000 -0.6559 0.0046 0.0060 0.0004 -0.7283 -0.0420 0.0090 -0.0020 0.1134 0.0081 -0.0015 0.0003 -0.0173 0.0076 -0.0013 0.0046 -0.0015 0.0003 0.0107 -0.0006 0.0001 0.0434 -0.0014 0.0003 0.0078 -0.0016 0.0002 0.0034 0.0009 -0.0013 -0.0008 -0.0072 -0.0019 -0.0034 0.0005 -0.0012 -0.0005 -0.0102 -0.0016 0.0218 0.0003 -0.0013 0.0002 0.0043 0.0097 0.0017 -0.0028 0.0040 -0.0003 0.0044 ( 49.78%) 0.7055* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 -0.1551 0.0273 0.0006 -0.0009 0.0006 0.0000 -0.6889 -0.0039 -0.0049 -0.0020 -0.7022 -0.0170 0.0124 0.0017 0.0477 -0.0224 -0.0071 -0.0041 -0.0221 0.0071 -0.0017 -0.0340 -0.0023 -0.0021 -0.0257 -0.0111 -0.0003 0.0173 -0.0178 -0.0005 0.0152 -0.0012 -0.0005 0.0110 -0.0002 -0.0170 -0.0026 -0.0036 -0.0026 0.0101 -0.0030 -0.0085 0.0001 -0.0064 -0.0016 0.0112 0.0001 -0.0007 0.0011 0.0004 -0.0097 0.0010 -0.0013 -0.0003 0.0011 -0.0049 ( 50.22%) 0.7087* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 0.1586 -0.0288 -0.0005 0.0009 -0.0005 0.0000 0.6892 0.0069 0.0054 0.0021 0.6826 0.0080 -0.0143 -0.0030 -0.1665 -0.0260 -0.0019 -0.0030 0.0114 -0.0069 0.0008 -0.0402 0.0012 -0.0025 -0.0334 -0.0022 0.0003 -0.0024 0.0201 0.0007 -0.0005 0.0055 0.0001 0.0044 -0.0010 0.0177 0.0017 0.0168 0.0000 0.0059 -0.0035 0.0035 0.0019 0.0067 0.0014 -0.0064 -0.0018 -0.0033 0.0036 0.0055 0.0038 -0.0013 -0.0040 0.0049 -0.0023 0.0030 ---------------- non-Lewis ---------------------------------------------------- 87. (0.56759) LV ( 1) C 8 s( 3.22%)p29.98( 96.50%)d 0.06( 0.20%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1774 -0.0261 -0.0048 0.0005 -0.0004 0.0000 0.7422 0.0449 -0.0107 0.0014 0.6399 0.0057 -0.0057 -0.0006 -0.0428 0.0224 0.0001 0.0017 0.0188 -0.0069 0.0014 0.0160 0.0012 -0.0008 0.0177 -0.0012 0.0000 0.0280 -0.0016 -0.0001 -0.0145 0.0044 -0.0008 -0.0023 0.0006 0.0043 0.0007 0.0137 0.0011 0.0071 -0.0006 0.0104 0.0001 0.0136 0.0001 -0.0102 -0.0017 0.0003 0.0052 0.0028 -0.0086 0.0005 -0.0048 0.0044 -0.0031 -0.0024 88. (0.56792) LV ( 1) C 9 s( 3.28%)p29.43( 96.44%)d 0.06( 0.20%) f 0.02( 0.07%)g 0.01( 0.02%) 0.0000 0.1790 -0.0264 -0.0051 0.0005 -0.0004 0.0000 0.7497 0.0458 -0.0106 0.0015 0.6175 -0.0017 -0.0053 -0.0011 -0.1360 -0.0197 0.0013 -0.0012 0.0137 -0.0071 0.0016 -0.0180 0.0008 0.0003 -0.0115 0.0027 -0.0005 0.0351 -0.0020 -0.0002 -0.0074 0.0030 -0.0005 -0.0062 -0.0013 0.0075 0.0010 0.0058 0.0005 -0.0067 0.0006 -0.0017 0.0002 0.0174 0.0000 -0.0131 -0.0014 0.0037 -0.0064 -0.0034 0.0017 -0.0008 0.0055 -0.0080 0.0002 0.0013 89. (0.14187) LV ( 1)Sc 26 s( 0.00%)p 1.00( 0.05%)d99.99( 99.78%) f 3.18( 0.16%)g 0.17( 0.01%) 0.0000 0.0000 0.0000 0.0024 0.0017 0.0043 0.0006 -0.0002 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0054 -0.0057 0.0031 -0.0110 0.0000 0.0000 -0.0008 -0.0153 0.0004 -0.0070 0.0000 0.0000 0.0022 0.0030 0.0005 0.0011 -0.5003 0.0268 -0.0098 -0.0008 0.0007 0.0637 0.0038 0.0011 -0.0002 -0.0002 -0.0780 -0.0085 -0.0049 0.0009 -0.0003 -0.8244 0.0313 -0.0117 0.0040 -0.0005 0.2331 -0.0352 -0.0083 -0.0002 -0.0006 0.0030 0.0007 -0.0004 -0.0007 0.0001 -0.0005 -0.0027 -0.0007 0.0007 0.0037 -0.0001 -0.0006 -0.0068 0.0006 0.0008 -0.0332 0.0018 0.0050 -0.0182 0.0015 0.0032 -0.0002 -0.0001 0.0000 -0.0006 0.0020 -0.0001 0.0065 -0.0001 0.0009 0.0001 0.0002 -0.0001 0.0012 0.0009 -0.0012 0.0046 -0.0028 -0.0009 90. (0.11443) LV ( 2)Sc 26 s( 47.38%)p 0.01( 0.28%)d 1.10( 52.18%) f 0.00( 0.08%)g 0.00( 0.08%) 0.0000 0.0000 0.0000 0.6877 -0.0282 0.0079 -0.0025 0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0492 0.0120 0.0030 0.0034 0.0000 0.0000 -0.0154 -0.0008 -0.0006 0.0027 0.0000 0.0000 0.0019 0.0002 -0.0002 0.0000 0.5115 -0.0153 0.0154 0.0014 0.0005 -0.0763 0.0013 -0.0029 -0.0001 0.0000 -0.1321 0.0230 -0.0012 -0.0012 0.0001 -0.3864 0.0121 -0.0113 -0.0029 -0.0002 -0.2824 0.0803 0.0027 -0.0036 0.0005 -0.0060 -0.0006 0.0002 -0.0045 -0.0026 0.0011 0.0144 0.0014 -0.0003 -0.0019 0.0003 0.0003 0.0016 -0.0007 0.0000 0.0185 0.0001 -0.0012 -0.0113 -0.0009 -0.0017 0.0111 -0.0011 -0.0002 0.0005 0.0104 -0.0010 0.0095 -0.0011 -0.0024 -0.0002 -0.0031 -0.0004 0.0037 -0.0004 0.0021 -0.0009 0.0205 0.0013 91. (0.00784) BD*( 1) C 1- C 2 ( 50.30%) 0.7092* C 1 s( 32.94%)p 2.03( 66.84%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5739 0.0076 0.0001 0.0004 0.0000 0.0000 -0.7792 0.0363 0.0001 -0.0022 0.1203 -0.0013 -0.0071 0.0009 0.2121 0.0198 0.0083 0.0006 0.0058 -0.0028 -0.0003 -0.0262 -0.0050 0.0005 0.0022 0.0020 -0.0010 0.0239 0.0094 -0.0009 0.0086 -0.0073 -0.0017 -0.0069 -0.0015 0.0024 0.0002 0.0039 -0.0002 0.0124 0.0012 0.0021 -0.0005 -0.0157 -0.0007 0.0024 0.0004 0.0029 0.0091 0.0015 -0.0008 0.0026 -0.0060 0.0005 0.0030 -0.0010 ( 49.70%) -0.7050* C 2 s( 33.31%)p 2.00( 66.47%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5771 0.0056 0.0001 0.0003 -0.0002 0.0000 0.6803 -0.0092 0.0053 0.0025 0.1110 -0.0013 -0.0064 0.0008 -0.4335 0.0387 0.0052 -0.0012 -0.0040 0.0033 -0.0005 -0.0065 -0.0109 -0.0010 0.0062 -0.0006 -0.0009 0.0342 0.0050 -0.0018 -0.0093 -0.0011 -0.0004 0.0067 0.0012 0.0006 -0.0008 0.0043 -0.0002 -0.0142 -0.0016 0.0022 -0.0004 0.0139 0.0007 0.0019 0.0003 -0.0038 0.0089 0.0014 0.0038 0.0027 -0.0044 -0.0001 0.0031 -0.0001 92. (0.00732) BD*( 1) C 1- C 5 ( 49.74%) 0.7052* C 1 s( 33.31%)p 2.00( 66.49%)d 0.00( 0.14%) f 0.00( 0.04%)g 0.00( 0.02%) 0.0000 0.5772 0.0026 0.0011 0.0004 -0.0002 0.0000 0.5966 -0.0365 -0.0018 0.0020 0.2265 -0.0078 -0.0065 0.0013 0.5061 0.0051 0.0077 0.0017 -0.0012 0.0037 0.0003 0.0197 0.0102 0.0008 0.0046 0.0048 -0.0008 0.0133 0.0045 -0.0010 0.0258 -0.0004 -0.0019 -0.0016 -0.0005 0.0119 0.0017 0.0047 0.0004 0.0137 0.0004 0.0038 0.0009 0.0047 0.0001 0.0074 0.0002 -0.0064 -0.0010 -0.0007 0.0093 0.0016 0.0008 0.0043 -0.0002 0.0000 ( 50.26%) -0.7090* C 5 s( 32.81%)p 2.04( 66.99%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5727 0.0051 0.0004 0.0005 -0.0002 0.0000 -0.4680 -0.0067 -0.0064 -0.0011 -0.0164 -0.0063 -0.0077 0.0008 -0.6699 0.0408 0.0036 -0.0021 0.0095 -0.0005 -0.0001 0.0211 0.0110 0.0006 0.0114 0.0011 -0.0005 0.0243 0.0027 -0.0021 -0.0004 0.0068 0.0005 -0.0013 0.0007 -0.0139 -0.0014 -0.0013 -0.0001 -0.0114 -0.0016 -0.0091 0.0000 -0.0065 0.0001 -0.0017 0.0001 -0.0064 0.0063 -0.0002 0.0077 0.0012 -0.0010 0.0025 0.0013 0.0003 93. (0.00727) BD*( 1) C 1- H 11 ( 38.19%) 0.6180* C 1 s( 31.07%)p 2.22( 68.84%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5574 0.0016 0.0006 0.0008 -0.0002 0.0000 -0.1775 -0.0005 -0.0015 0.0010 0.0892 0.0062 0.0031 -0.0004 0.8054 0.0057 0.0088 -0.0048 0.0016 0.0005 0.0003 0.0030 0.0046 0.0002 -0.0111 -0.0022 0.0005 -0.0030 -0.0001 0.0018 -0.0081 -0.0119 0.0004 0.0188 0.0014 -0.0093 -0.0011 0.0055 0.0007 0.0048 -0.0005 -0.0012 -0.0004 -0.0010 0.0002 -0.0005 -0.0002 -0.0056 0.0066 -0.0019 0.0025 0.0018 -0.0020 -0.0002 -0.0014 -0.0006 ( 61.81%) -0.7862* H 11 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0022 0.0000 -0.0001 -0.0068 0.0015 -0.0005 0.0047 -0.0014 0.0003 0.0309 -0.0019 0.0012 0.0004 0.0001 0.0039 0.0009 -0.0018 -0.0007 0.0007 -0.0002 -0.0102 -0.0027 -0.0062 0.0038 -0.0031 -0.0007 0.0011 0.0000 -0.0002 94. (0.00858) BD*( 1) C 2- C 3 ( 49.99%) 0.7070* C 2 s( 32.84%)p 2.04( 66.95%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5730 0.0059 0.0003 0.0004 -0.0002 0.0000 -0.0300 0.0299 0.0067 0.0004 0.2497 -0.0069 -0.0073 0.0014 0.7774 -0.0275 0.0034 0.0024 0.0035 0.0014 -0.0009 0.0174 -0.0028 -0.0009 0.0025 0.0062 -0.0003 0.0138 -0.0030 -0.0018 0.0299 0.0097 -0.0003 0.0189 0.0014 0.0027 0.0008 0.0086 0.0010 0.0011 -0.0007 -0.0004 0.0003 0.0015 -0.0005 0.0055 -0.0002 0.0090 0.0011 0.0042 -0.0056 -0.0003 0.0009 -0.0018 0.0033 0.0013 ( 50.01%) -0.7072* C 3 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5720 0.0065 0.0001 0.0004 -0.0002 0.0000 -0.1878 0.0352 0.0060 0.0000 0.0041 -0.0001 -0.0081 0.0005 -0.7959 0.0229 -0.0022 -0.0027 0.0010 0.0021 -0.0006 -0.0094 0.0061 0.0013 0.0169 -0.0013 -0.0004 0.0089 -0.0011 -0.0015 0.0308 0.0102 -0.0006 -0.0183 -0.0020 -0.0061 -0.0002 -0.0084 0.0001 -0.0040 0.0007 -0.0013 -0.0002 0.0005 -0.0003 0.0046 0.0000 0.0079 0.0073 0.0024 -0.0031 -0.0001 -0.0033 -0.0002 0.0023 0.0005 95. (0.00774) BD*( 1) C 2- H 12 ( 39.00%) 0.6245* C 2 s( 30.61%)p 2.26( 69.30%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5533 0.0012 0.0000 0.0007 -0.0004 0.0000 0.7196 0.0040 0.0084 -0.0040 0.0753 0.0063 0.0029 -0.0005 0.4115 0.0010 0.0050 -0.0022 -0.0098 -0.0011 0.0001 -0.0045 -0.0101 -0.0004 -0.0067 -0.0001 0.0004 -0.0083 -0.0076 0.0012 0.0004 0.0018 0.0011 -0.0069 -0.0012 0.0028 0.0001 0.0002 -0.0002 0.0147 0.0015 0.0041 0.0005 0.0128 0.0005 0.0030 0.0003 0.0030 0.0069 0.0004 -0.0037 0.0007 -0.0036 -0.0018 -0.0011 -0.0012 ( 61.00%) -0.7810* H 12 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0009 0.0017 0.0000 0.0291 -0.0014 0.0016 0.0056 0.0005 0.0003 0.0157 -0.0013 0.0008 -0.0020 -0.0005 -0.0087 -0.0021 -0.0009 -0.0003 -0.0064 -0.0019 0.0023 0.0003 0.0031 -0.0008 -0.0002 -0.0054 -0.0019 -0.0039 -0.0020 96. (0.00768) BD*( 1) C 3- C 4 ( 49.63%) 0.7045* C 3 s( 33.39%)p 1.99( 66.40%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5778 -0.0054 -0.0001 -0.0003 0.0002 0.0000 -0.7484 0.0161 -0.0045 -0.0027 -0.2129 0.0136 0.0076 -0.0010 -0.2386 0.0342 0.0037 -0.0005 0.0035 -0.0061 0.0000 0.0026 -0.0070 -0.0013 -0.0009 0.0001 0.0000 -0.0350 -0.0070 0.0018 0.0087 0.0044 0.0010 0.0084 0.0003 0.0069 0.0016 -0.0032 0.0003 -0.0057 -0.0008 -0.0025 0.0002 -0.0161 -0.0010 -0.0059 -0.0009 -0.0039 0.0093 0.0005 0.0017 0.0029 -0.0035 -0.0020 -0.0034 -0.0022 ( 50.37%) -0.7098* C 4 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5740 -0.0073 -0.0002 -0.0004 0.0001 0.0000 0.8098 -0.0315 0.0010 0.0023 -0.0629 0.0081 0.0094 -0.0008 0.0824 0.0258 0.0058 0.0005 -0.0139 0.0018 0.0005 -0.0194 -0.0012 0.0008 -0.0066 0.0024 0.0003 -0.0275 -0.0107 0.0011 0.0009 0.0071 0.0017 -0.0011 -0.0012 -0.0096 -0.0010 -0.0028 -0.0002 0.0080 0.0008 0.0043 -0.0004 0.0169 0.0011 0.0028 -0.0001 -0.0078 0.0050 -0.0016 0.0055 -0.0001 -0.0030 0.0003 -0.0043 -0.0011 97. (0.00769) BD*( 1) C 3- H 13 ( 38.92%) 0.6239* C 3 s( 30.63%)p 2.26( 69.28%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5535 0.0015 -0.0002 0.0007 -0.0004 0.0000 0.6237 0.0040 0.0070 -0.0033 -0.0782 0.0059 0.0013 0.0003 -0.5454 -0.0038 -0.0074 0.0030 -0.0059 0.0019 0.0003 0.0081 0.0110 0.0005 0.0042 -0.0020 0.0006 -0.0085 -0.0054 0.0013 -0.0047 -0.0016 0.0009 0.0043 0.0009 0.0105 0.0013 -0.0030 0.0000 -0.0145 -0.0013 0.0034 0.0000 0.0093 0.0003 -0.0031 -0.0003 0.0057 -0.0014 0.0007 -0.0068 -0.0005 0.0022 -0.0019 -0.0003 0.0002 ( 61.08%) -0.7815* H 13 s( 99.87%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0010 0.0016 0.0000 0.0258 -0.0008 0.0013 -0.0003 0.0010 0.0000 -0.0218 0.0017 -0.0011 0.0012 0.0002 0.0101 0.0024 -0.0005 -0.0003 -0.0045 -0.0014 -0.0011 -0.0005 -0.0018 -0.0043 0.0004 0.0057 -0.0007 -0.0028 0.0004 98. (0.00727) BD*( 1) C 4- C 5 ( 49.84%) 0.7059* C 4 s( 33.35%)p 1.99( 66.44%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5775 0.0022 0.0012 0.0003 -0.0002 0.0000 0.4785 -0.0364 -0.0033 0.0015 0.0438 -0.0092 -0.0087 0.0007 -0.6573 0.0057 -0.0046 -0.0024 -0.0053 -0.0003 0.0000 -0.0112 -0.0107 -0.0013 0.0146 -0.0022 -0.0007 0.0084 0.0037 -0.0012 0.0284 0.0054 -0.0015 -0.0060 -0.0008 0.0149 0.0020 -0.0041 0.0003 -0.0125 -0.0001 0.0035 0.0002 0.0012 0.0002 0.0020 0.0000 -0.0046 -0.0078 0.0004 0.0081 0.0001 0.0018 0.0020 0.0004 -0.0001 ( 50.16%) -0.7083* C 5 s( 32.97%)p 2.03( 66.82%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5742 0.0046 0.0005 0.0006 -0.0002 0.0000 -0.3313 -0.0137 -0.0066 -0.0007 0.2106 -0.0190 -0.0082 0.0015 0.7158 -0.0346 0.0005 0.0021 0.0001 -0.0032 -0.0002 -0.0252 -0.0079 0.0000 -0.0017 0.0045 0.0002 0.0216 0.0006 -0.0023 0.0114 0.0092 0.0004 0.0074 0.0000 -0.0165 -0.0018 0.0060 0.0004 0.0066 0.0008 -0.0012 -0.0008 -0.0059 0.0006 0.0031 0.0005 -0.0009 -0.0105 0.0008 0.0034 -0.0037 0.0030 0.0013 0.0019 0.0012 99. (0.00747) BD*( 1) C 4- H 14 ( 38.08%) 0.6171* C 4 s( 31.18%)p 2.20( 68.72%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5584 0.0016 0.0008 0.0007 -0.0002 0.0000 -0.3323 -0.0031 -0.0031 0.0018 -0.1561 0.0046 0.0003 0.0012 -0.7431 -0.0071 -0.0089 0.0044 0.0022 -0.0020 0.0002 -0.0060 -0.0080 -0.0005 0.0040 -0.0040 0.0003 -0.0064 -0.0012 0.0018 -0.0105 -0.0091 0.0006 -0.0107 -0.0009 -0.0142 -0.0018 -0.0094 -0.0002 -0.0064 -0.0001 -0.0059 -0.0002 -0.0016 0.0002 -0.0031 -0.0001 -0.0003 -0.0087 -0.0013 -0.0021 -0.0025 0.0025 -0.0003 -0.0010 0.0004 ( 61.92%) -0.7869* H 14 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0025 0.0006 -0.0001 -0.0135 0.0016 -0.0007 -0.0041 -0.0006 0.0001 -0.0286 0.0026 -0.0009 -0.0012 -0.0003 -0.0070 -0.0017 -0.0030 -0.0008 0.0000 -0.0004 -0.0077 -0.0022 0.0040 0.0061 0.0020 0.0025 0.0014 0.0005 0.0005 100. (0.00935) BD*( 1) C 5- H 15 ( 37.20%) 0.6099* C 5 s( 31.74%)p 2.15( 68.17%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5633 0.0020 0.0004 0.0010 -0.0003 0.0000 -0.8182 -0.0084 -0.0101 0.0050 -0.0603 0.0092 0.0014 0.0007 0.0912 -0.0010 0.0010 -0.0006 0.0077 -0.0022 0.0002 0.0002 0.0024 0.0001 -0.0016 -0.0002 0.0007 -0.0103 -0.0119 0.0016 0.0029 0.0057 0.0016 -0.0024 -0.0003 0.0102 0.0015 -0.0001 -0.0001 0.0051 0.0004 -0.0001 0.0001 -0.0176 -0.0012 -0.0055 0.0002 -0.0060 -0.0033 -0.0016 0.0052 0.0002 0.0014 0.0010 -0.0036 -0.0005 ( 62.80%) -0.7925* H 15 s( 99.88%)p 0.00( 0.10%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 -0.0040 0.0014 0.0000 -0.0307 0.0025 -0.0006 -0.0020 -0.0020 0.0002 0.0024 -0.0004 0.0000 -0.0011 -0.0002 0.0020 0.0006 0.0010 0.0000 -0.0085 -0.0027 0.0063 0.0014 0.0011 -0.0044 -0.0001 -0.0015 0.0001 0.0068 0.0003 101. (0.00685) BD*( 1) C 6- C 7 ( 50.15%) 0.7081* C 6 s( 33.24%)p 2.00( 66.55%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5765 0.0049 0.0003 0.0004 -0.0001 0.0000 -0.3251 -0.0006 0.0011 -0.0013 0.0628 0.0241 0.0097 0.0000 -0.7444 0.0340 -0.0014 -0.0021 -0.0202 0.0002 0.0023 0.0160 0.0075 -0.0001 -0.0200 -0.0017 0.0003 0.0004 0.0026 -0.0001 0.0144 0.0103 0.0002 -0.0107 -0.0003 -0.0148 -0.0016 0.0073 0.0010 0.0000 -0.0007 0.0062 0.0006 0.0013 -0.0006 0.0056 -0.0002 0.0014 0.0088 -0.0068 0.0029 -0.0015 0.0020 0.0021 -0.0025 0.0005 ( 49.85%) -0.7061* C 7 s( 33.28%)p 2.00( 66.52%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5768 0.0030 0.0010 0.0004 -0.0001 0.0000 0.2744 -0.0206 0.0032 0.0002 -0.3501 0.0314 0.0088 -0.0014 0.6825 -0.0069 0.0045 0.0026 -0.0082 -0.0028 0.0012 0.0149 0.0057 0.0006 0.0031 -0.0093 -0.0012 0.0044 0.0004 -0.0002 0.0306 0.0059 -0.0014 0.0087 0.0010 0.0130 0.0011 -0.0083 -0.0015 0.0029 0.0001 -0.0111 0.0001 -0.0026 -0.0001 0.0014 -0.0001 -0.0029 0.0069 -0.0063 -0.0001 -0.0069 0.0027 0.0011 -0.0007 -0.0001 102. (0.00685) BD*( 1) C 6- C 10 ( 50.21%) 0.7086* C 6 s( 33.12%)p 2.01( 66.67%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5755 0.0051 0.0003 0.0004 -0.0001 0.0000 -0.3829 0.0025 0.0012 -0.0014 0.3305 0.0097 0.0095 0.0007 0.6395 -0.0407 -0.0022 0.0017 -0.0268 -0.0031 0.0021 -0.0081 -0.0080 -0.0008 0.0211 0.0080 0.0001 -0.0070 0.0013 0.0000 -0.0016 0.0057 0.0003 -0.0007 -0.0009 -0.0101 -0.0007 0.0089 0.0008 -0.0064 0.0003 -0.0131 -0.0017 0.0063 -0.0001 0.0051 0.0001 -0.0075 -0.0029 0.0026 0.0003 -0.0086 0.0015 -0.0013 -0.0015 0.0003 ( 49.79%) -0.7057* C 10 s( 33.26%)p 2.00( 66.54%)d 0.00( 0.14%) f 0.00( 0.05%)g 0.00( 0.02%) 0.0000 0.5767 0.0032 0.0010 0.0004 -0.0001 0.0000 0.3225 -0.0211 0.0038 0.0004 -0.5760 0.0306 0.0065 -0.0024 -0.4775 -0.0069 -0.0072 -0.0017 -0.0147 -0.0056 0.0009 -0.0146 -0.0045 -0.0008 0.0161 0.0101 0.0000 0.0033 -0.0031 -0.0004 0.0240 -0.0014 -0.0019 0.0028 0.0008 0.0050 0.0009 -0.0097 -0.0014 0.0014 0.0008 0.0154 0.0007 -0.0090 -0.0003 -0.0004 0.0000 -0.0061 0.0019 -0.0030 -0.0005 -0.0092 0.0042 -0.0007 -0.0003 0.0003 103. (0.00702) BD*( 1) C 6- H 16 ( 37.66%) 0.6137* C 6 s( 31.31%)p 2.19( 68.59%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5596 0.0035 -0.0004 0.0007 -0.0001 0.0000 -0.5607 -0.0129 -0.0091 0.0032 0.5932 0.0013 0.0051 -0.0039 -0.1386 -0.0008 -0.0013 0.0009 0.0109 0.0108 -0.0014 -0.0027 -0.0025 0.0002 -0.0004 0.0026 0.0005 -0.0093 0.0010 0.0000 0.0026 0.0055 0.0014 0.0038 0.0006 0.0064 0.0012 -0.0059 -0.0009 -0.0002 0.0000 0.0069 0.0006 0.0152 0.0005 0.0108 0.0010 -0.0053 0.0029 -0.0043 0.0003 -0.0043 0.0020 0.0014 0.0036 0.0004 ( 62.34%) -0.7896* H 16 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0013 0.0013 0.0000 -0.0234 0.0037 -0.0010 0.0223 -0.0014 0.0005 -0.0054 0.0004 -0.0001 0.0089 0.0025 -0.0022 -0.0006 0.0025 0.0005 0.0005 0.0000 0.0059 0.0012 -0.0017 -0.0030 0.0027 0.0003 -0.0024 -0.0039 -0.0051 104. (0.00749) BD*( 1) C 7- C 8 ( 50.27%) 0.7090* C 7 s( 32.95%)p 2.03( 66.83%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5740 0.0069 0.0004 0.0004 -0.0001 0.0000 -0.6411 0.0263 0.0039 -0.0021 0.5044 -0.0156 0.0077 0.0011 0.0327 0.0288 0.0054 0.0005 -0.0298 -0.0102 0.0012 -0.0098 -0.0012 0.0005 0.0161 -0.0022 -0.0006 -0.0110 0.0028 0.0004 -0.0024 -0.0071 -0.0017 0.0000 -0.0011 0.0047 0.0008 -0.0096 -0.0009 -0.0030 0.0004 -0.0059 -0.0006 0.0130 0.0006 0.0122 0.0009 0.0087 0.0026 -0.0010 -0.0009 0.0062 0.0012 0.0017 -0.0046 0.0002 ( 49.73%) -0.7052* C 8 s( 33.20%)p 2.01( 66.58%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 0.5762 0.0054 0.0006 0.0004 -0.0002 0.0000 0.4249 -0.0047 0.0084 0.0012 -0.6660 0.0208 0.0027 -0.0025 -0.2001 0.0340 0.0042 -0.0003 -0.0348 -0.0084 0.0018 0.0047 -0.0051 -0.0008 -0.0040 0.0041 0.0009 0.0057 -0.0049 -0.0001 -0.0082 -0.0053 -0.0012 0.0070 0.0000 -0.0085 -0.0011 0.0032 0.0013 0.0017 -0.0003 0.0046 0.0006 -0.0151 -0.0012 -0.0100 -0.0002 0.0057 0.0058 -0.0061 0.0024 0.0035 0.0029 0.0013 -0.0041 0.0015 105. (0.00765) BD*( 1) C 7- H 17 ( 38.09%) 0.6172* C 7 s( 31.13%)p 2.21( 68.78%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5579 0.0015 0.0007 0.0007 -0.0002 0.0000 -0.1846 -0.0050 -0.0045 0.0011 0.3531 -0.0011 0.0019 -0.0022 0.7272 0.0068 0.0082 -0.0045 0.0062 0.0022 -0.0018 0.0085 0.0040 0.0005 -0.0011 -0.0087 -0.0001 -0.0031 0.0016 0.0000 -0.0099 -0.0084 0.0007 0.0092 0.0006 -0.0065 -0.0012 0.0160 0.0014 -0.0045 -0.0001 -0.0087 -0.0003 0.0041 0.0000 -0.0002 -0.0002 0.0012 0.0055 -0.0064 0.0020 0.0036 0.0012 0.0020 0.0007 0.0004 ( 61.91%) -0.7868* H 17 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0024 0.0003 -0.0001 -0.0082 0.0012 -0.0003 0.0122 -0.0012 0.0005 0.0291 -0.0016 0.0012 0.0006 0.0006 0.0043 0.0010 -0.0074 -0.0018 0.0013 0.0003 -0.0073 -0.0020 -0.0033 0.0036 -0.0054 0.0011 0.0032 -0.0008 -0.0003 106. (0.00869) BD*( 1) C 8- C 9 ( 50.00%) 0.7071* C 8 s( 32.72%)p 2.05( 67.06%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5720 -0.0059 -0.0006 -0.0004 0.0003 0.0000 0.2030 -0.0273 -0.0097 0.0006 -0.1291 0.0235 -0.0020 0.0004 -0.7816 0.0193 -0.0035 -0.0027 0.0091 -0.0004 -0.0015 -0.0139 0.0064 0.0012 -0.0053 -0.0036 -0.0007 0.0016 0.0017 -0.0006 -0.0326 -0.0100 0.0008 -0.0181 -0.0019 0.0022 0.0006 -0.0102 -0.0002 0.0015 0.0001 0.0052 -0.0007 0.0039 -0.0002 -0.0028 -0.0002 -0.0066 0.0056 -0.0073 -0.0002 -0.0015 0.0024 0.0029 0.0021 -0.0004 ( 50.00%) -0.7071* C 9 s( 32.75%)p 2.05( 67.03%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5723 -0.0057 -0.0007 -0.0004 0.0003 0.0000 0.1356 -0.0246 -0.0102 0.0005 0.1746 0.0146 -0.0007 0.0014 0.7872 -0.0286 0.0030 0.0025 0.0151 -0.0025 -0.0020 0.0146 -0.0043 -0.0006 -0.0134 -0.0033 0.0006 0.0021 0.0019 -0.0007 -0.0277 -0.0111 0.0002 0.0191 0.0014 0.0003 -0.0002 0.0086 0.0014 0.0006 -0.0005 -0.0022 0.0005 0.0054 -0.0005 -0.0022 -0.0004 -0.0091 0.0002 -0.0051 0.0006 -0.0051 0.0013 -0.0012 0.0033 -0.0006 107. (0.00760) BD*( 1) C 8- H 18 ( 38.77%) 0.6227* C 8 s( 30.67%)p 2.26( 69.24%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5538 0.0017 0.0001 0.0007 -0.0004 0.0000 0.4716 0.0001 0.0038 -0.0026 -0.3547 -0.0072 -0.0058 0.0020 0.5865 0.0052 0.0079 -0.0034 0.0085 0.0046 -0.0014 -0.0023 -0.0093 -0.0002 0.0089 0.0063 0.0008 0.0050 -0.0016 -0.0002 -0.0054 -0.0030 0.0009 -0.0021 -0.0007 0.0114 0.0011 -0.0067 -0.0011 0.0034 0.0000 -0.0142 -0.0012 -0.0034 0.0001 -0.0080 -0.0003 0.0059 -0.0001 0.0009 -0.0003 0.0072 -0.0003 0.0020 0.0003 0.0000 ( 61.23%) -0.7825* H 18 s( 99.86%)p 0.00( 0.12%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0013 0.0013 -0.0001 0.0177 -0.0014 0.0009 -0.0166 0.0004 -0.0008 0.0236 -0.0021 0.0012 0.0038 0.0013 -0.0078 -0.0019 0.0068 0.0015 -0.0012 -0.0002 -0.0023 -0.0008 0.0010 -0.0039 0.0033 -0.0007 0.0055 0.0014 0.0020 108. (0.00767) BD*( 1) C 9- C 10 ( 49.76%) 0.7054* C 9 s( 33.13%)p 2.01( 66.65%)d 0.00( 0.15%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5756 -0.0056 -0.0006 -0.0004 0.0002 0.0000 -0.3919 0.0018 -0.0088 -0.0010 0.5393 -0.0065 -0.0012 0.0021 -0.4694 0.0393 0.0045 -0.0013 0.0339 0.0053 -0.0020 -0.0108 -0.0077 -0.0002 0.0024 0.0084 0.0012 -0.0057 0.0033 -0.0004 0.0082 0.0001 0.0003 0.0070 0.0012 0.0006 0.0003 0.0055 -0.0005 -0.0029 0.0003 0.0146 0.0017 0.0104 0.0007 0.0087 0.0001 0.0053 0.0048 -0.0062 0.0020 0.0057 0.0028 0.0028 0.0026 0.0002 ( 50.24%) -0.7088* C 10 s( 32.89%)p 2.03( 66.89%)d 0.00( 0.16%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5735 -0.0071 -0.0002 -0.0005 0.0000 0.0000 0.6331 -0.0282 -0.0045 0.0021 -0.4406 0.0247 -0.0052 -0.0008 0.2684 0.0180 0.0076 0.0010 0.0228 0.0089 -0.0009 -0.0188 -0.0063 0.0007 0.0185 0.0025 0.0004 0.0057 -0.0028 -0.0004 -0.0120 0.0065 0.0019 -0.0067 -0.0015 0.0023 0.0002 0.0028 -0.0003 -0.0020 0.0006 -0.0141 -0.0012 -0.0075 -0.0002 -0.0125 -0.0007 -0.0011 0.0066 -0.0072 0.0021 0.0016 0.0032 0.0051 0.0024 0.0010 109. (0.00762) BD*( 1) C 9- H 19 ( 38.79%) 0.6228* C 9 s( 30.65%)p 2.26( 69.25%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5537 0.0015 0.0001 0.0007 -0.0004 0.0000 0.5111 0.0002 0.0046 -0.0029 -0.5421 -0.0085 -0.0082 0.0031 -0.3704 -0.0017 -0.0048 0.0021 0.0097 0.0082 -0.0012 -0.0006 0.0068 0.0005 -0.0071 -0.0063 -0.0001 0.0088 0.0002 0.0000 0.0003 0.0028 0.0012 0.0072 0.0012 0.0009 0.0000 -0.0001 0.0003 0.0018 0.0003 0.0144 0.0015 -0.0105 -0.0006 -0.0097 -0.0003 0.0016 -0.0056 0.0055 -0.0006 0.0024 -0.0034 -0.0024 0.0017 -0.0008 ( 61.21%) -0.7824* H 19 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9993 -0.0013 0.0014 -0.0001 0.0188 -0.0017 0.0010 -0.0240 0.0012 -0.0012 -0.0141 0.0014 -0.0006 0.0070 0.0021 0.0056 0.0013 -0.0060 -0.0015 0.0009 0.0003 0.0031 0.0005 -0.0032 0.0000 0.0000 -0.0011 -0.0054 0.0042 0.0024 110. (0.00748) BD*( 1) C 10- H 20 ( 38.16%) 0.6177* C 10 s( 31.09%)p 2.21( 68.81%)d 0.00( 0.04%) f 0.00( 0.05%)g 0.00( 0.01%) 0.0000 -0.5576 0.0015 0.0006 0.0008 -0.0002 0.0000 -0.1218 -0.0044 -0.0037 0.0007 0.0521 -0.0036 -0.0013 -0.0003 -0.8188 -0.0056 -0.0088 0.0050 0.0028 0.0004 -0.0019 -0.0092 -0.0030 0.0002 -0.0063 0.0016 0.0004 -0.0016 -0.0001 -0.0001 -0.0091 -0.0127 0.0005 -0.0205 -0.0016 -0.0070 -0.0009 0.0026 0.0002 -0.0007 -0.0001 0.0042 -0.0005 0.0010 0.0001 -0.0002 -0.0002 -0.0071 -0.0045 0.0025 -0.0009 -0.0034 -0.0011 -0.0010 0.0017 -0.0003 ( 61.84%) -0.7864* H 20 s( 99.87%)p 0.00( 0.11%)d 0.00( 0.01%) f 0.00( 0.01%) -0.9994 0.0023 0.0000 -0.0001 -0.0062 0.0008 -0.0003 0.0003 -0.0005 0.0000 -0.0322 0.0019 -0.0014 -0.0012 0.0001 -0.0028 -0.0008 0.0013 0.0002 -0.0003 0.0000 -0.0109 -0.0028 0.0071 0.0036 -0.0003 0.0005 -0.0005 0.0000 -0.0001 111. (0.02955) BD*( 1) S 21- S 22 ( 53.83%) 0.7337* S 21 s( 9.23%)p 9.69( 89.45%)d 0.13( 1.20%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3001 -0.0474 -0.0014 -0.0005 -0.0003 0.0000 0.0000 0.0000 -0.8084 -0.0474 -0.0005 -0.0014 0.0000 0.0000 -0.4884 -0.0073 0.0032 -0.0019 0.0001 0.0000 0.0054 0.0086 0.0012 -0.0007 0.0001 -0.0838 -0.0088 -0.0010 0.0000 -0.0337 0.0102 -0.0009 -0.0001 -0.0204 0.0078 -0.0008 0.0001 -0.0201 -0.0218 -0.0001 0.0001 0.0467 0.0113 0.0002 0.0001 -0.0005 0.0013 0.0155 0.0020 0.0093 0.0007 0.0045 -0.0019 -0.0055 0.0002 -0.0041 0.0003 -0.0262 -0.0025 -0.0032 0.0010 0.0002 0.0034 0.0033 -0.0006 0.0001 0.0027 -0.0065 ( 46.17%) -0.6795* S 22 s( 14.08%)p 6.00( 84.53%)d 0.09( 1.23%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 -0.3723 -0.0471 0.0006 0.0000 -0.0001 0.0000 0.0000 0.0000 0.7912 0.0289 -0.0052 0.0004 -0.0001 0.0000 0.4649 0.0231 0.0015 -0.0005 0.0000 0.0000 -0.0032 0.0416 0.0077 -0.0004 0.0001 -0.0760 -0.0032 0.0028 -0.0002 0.0109 -0.0065 -0.0004 0.0002 0.0029 -0.0033 -0.0007 0.0001 -0.0594 0.0068 -0.0003 -0.0002 0.0524 0.0027 -0.0012 0.0001 -0.0033 0.0000 -0.0173 0.0012 -0.0083 0.0001 0.0036 0.0006 0.0034 -0.0005 0.0040 -0.0004 0.0315 -0.0019 -0.0044 0.0019 0.0009 0.0040 0.0053 0.0001 -0.0019 0.0039 -0.0084 112. (0.05449) BD*( 1) S 21-Sc 26 ( 13.23%) 0.3637* S 21 s( 41.05%)p 1.43( 58.58%)d 0.01( 0.34%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.6404 0.0189 0.0021 -0.0002 -0.0002 0.0000 0.0000 0.0000 0.4725 -0.0007 -0.0071 -0.0005 0.0001 0.0000 -0.4020 0.0067 0.0035 0.0018 0.0000 0.0000 -0.4481 0.0078 0.0072 0.0008 0.0000 0.0286 -0.0045 -0.0004 0.0001 0.0309 -0.0095 -0.0008 0.0001 -0.0361 0.0090 0.0012 0.0000 0.0072 0.0005 0.0003 0.0000 -0.0110 0.0008 -0.0003 -0.0001 0.0089 -0.0014 0.0048 -0.0013 -0.0036 0.0003 -0.0050 0.0006 0.0063 -0.0011 0.0055 -0.0005 -0.0053 0.0011 0.0013 0.0002 0.0001 -0.0007 0.0015 -0.0004 -0.0019 0.0010 0.0008 ( 86.77%) -0.9315*Sc 26 s( 25.33%)p 0.00( 0.11%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 -0.5028 -0.0232 0.0053 0.0012 0.0009 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.0058 -0.0146 0.0063 0.0001 0.0000 0.0000 0.0017 0.0106 -0.0036 -0.0010 0.0000 0.0000 0.0057 0.0205 -0.0128 0.0049 0.4049 0.0160 -0.0015 0.0014 -0.0013 0.6227 0.0275 0.0011 0.0063 -0.0012 -0.3006 -0.0437 -0.0076 0.0011 0.0010 -0.2284 0.0192 0.0042 -0.0011 0.0002 -0.2142 -0.0149 0.0077 0.0005 -0.0012 -0.0172 -0.0003 -0.0019 0.0131 -0.0053 -0.0009 -0.0118 0.0060 -0.0012 0.0083 0.0027 0.0006 -0.0014 -0.0039 -0.0011 -0.0067 -0.0003 -0.0001 -0.0048 0.0001 0.0025 0.0088 0.0047 -0.0172 0.0002 -0.0010 -0.0002 -0.0071 0.0008 0.0094 0.0035 0.0049 0.0017 -0.0159 -0.0034 -0.0059 -0.0008 -0.0021 0.0007 113. (0.09700) BD*( 2) S 21-Sc 26 ( 5.50%) 0.2344* S 21 s( 0.00%)p 1.00( 99.76%)d 0.00( 0.20%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 -0.0021 0.0036 -0.0001 0.0001 -0.0001 0.0000 0.0000 0.0000 -0.3156 0.0011 -0.0036 0.0003 0.0000 0.0000 0.5175 -0.0050 0.0030 -0.0011 0.0000 0.0000 -0.7938 0.0061 -0.0034 0.0007 0.0000 -0.0104 0.0031 -0.0005 0.0001 -0.0172 0.0003 0.0005 0.0001 -0.0212 0.0028 0.0005 0.0000 -0.0225 0.0030 0.0007 0.0000 -0.0227 0.0075 0.0003 -0.0002 0.0024 0.0008 0.0078 -0.0009 -0.0069 0.0012 -0.0074 0.0006 -0.0116 0.0008 -0.0079 0.0002 0.0022 -0.0005 0.0000 0.0023 -0.0002 -0.0001 0.0005 0.0004 -0.0011 -0.0013 -0.0008 ( 94.50%) -0.9721*Sc 26 s( 0.42%)p 2.22( 0.93%)d99.99( 96.91%) f 1.73( 0.72%)g 2.44( 1.02%) 0.0000 0.0000 0.0000 -0.0639 0.0093 0.0040 -0.0002 0.0001 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0276 -0.0010 0.0091 -0.0091 0.0000 0.0000 0.0063 0.0053 -0.0006 0.0010 0.0000 0.0000 -0.0780 0.0111 0.0408 -0.0212 0.3569 -0.0235 -0.0143 -0.0023 0.0003 -0.2473 0.0945 -0.0153 -0.0029 -0.0006 -0.4715 0.0827 0.0231 -0.0033 -0.0030 0.0184 -0.0071 -0.0031 0.0006 -0.0006 0.7302 -0.0761 -0.0389 0.0020 0.0013 0.0516 -0.0223 0.0069 -0.0280 0.0071 -0.0031 0.0231 -0.0108 0.0034 0.0207 0.0001 -0.0007 0.0359 -0.0148 0.0030 -0.0231 0.0023 -0.0011 0.0039 0.0035 -0.0002 0.0192 -0.0029 0.0651 -0.0090 -0.0489 0.0071 0.0142 -0.0010 0.0302 -0.0034 0.0325 -0.0063 0.0225 -0.0025 -0.0173 0.0004 0.0048 -0.0020 114. (0.06882) BD*( 1) S 22- S 23 ( 50.58%) 0.7112* S 22 s( 12.00%)p 7.22( 86.65%)d 0.10( 1.23%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 0.3435 0.0444 0.0015 0.0003 0.0000 0.0000 0.0000 0.0000 0.3103 0.0484 0.0042 0.0003 0.0001 0.0000 -0.2605 0.0009 0.0015 0.0000 0.0001 0.0000 0.8361 0.0323 -0.0007 0.0006 -0.0001 -0.0169 -0.0041 0.0005 -0.0001 0.0528 0.0045 0.0007 0.0000 -0.0436 -0.0006 0.0015 -0.0002 0.0052 -0.0017 0.0007 0.0000 0.0854 0.0006 -0.0007 0.0001 0.0113 0.0013 0.0222 0.0003 -0.0154 0.0000 0.0097 -0.0008 -0.0069 -0.0005 0.0035 -0.0006 -0.0020 0.0004 0.0010 0.0078 -0.0033 0.0032 -0.0041 0.0000 -0.0033 -0.0006 -0.0015 ( 49.42%) -0.7030* S 23 s( 11.83%)p 7.33( 86.77%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.3409 0.0458 0.0005 0.0001 0.0000 0.0000 0.0000 0.0000 -0.4398 0.0017 0.0036 -0.0004 0.0001 0.0000 0.2898 0.0035 -0.0027 0.0000 -0.0001 0.0000 -0.7664 0.0532 -0.0017 -0.0007 0.0000 -0.0290 0.0028 0.0013 -0.0001 0.0798 0.0031 -0.0012 0.0002 -0.0472 -0.0023 0.0014 -0.0002 0.0190 -0.0012 -0.0002 0.0000 0.0534 0.0029 0.0005 0.0001 -0.0149 0.0013 -0.0219 -0.0001 0.0106 -0.0004 -0.0087 0.0000 0.0140 0.0000 0.0002 -0.0003 0.0065 -0.0006 0.0006 0.0076 -0.0047 0.0035 -0.0041 0.0002 -0.0025 -0.0003 -0.0008 115. (0.06992) BD*( 1) S 23- S 24 ( 49.49%) 0.7035* S 23 s( 11.79%)p 7.36( 86.82%)d 0.11( 1.27%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 -0.3404 -0.0457 -0.0004 -0.0002 0.0000 0.0000 0.0000 0.0000 0.4545 -0.0029 -0.0037 0.0003 -0.0001 0.0000 -0.5386 0.0150 0.0020 -0.0001 0.0001 0.0000 -0.6071 0.0509 -0.0027 -0.0005 0.0000 0.0566 -0.0016 -0.0017 0.0002 0.0654 0.0039 -0.0006 0.0001 -0.0707 -0.0028 0.0009 -0.0002 0.0013 0.0021 -0.0002 0.0000 -0.0124 -0.0011 -0.0012 0.0001 0.0003 0.0006 0.0118 0.0000 -0.0186 0.0011 0.0032 -0.0007 0.0223 0.0001 -0.0084 0.0003 -0.0084 0.0005 0.0048 0.0027 -0.0024 0.0015 0.0071 -0.0041 -0.0028 0.0019 -0.0001 ( 50.51%) -0.7107* S 24 s( 12.01%)p 7.22( 86.66%)d 0.10( 1.22%) f 0.01( 0.10%)g 0.00( 0.01%) 0.0000 0.0000 -0.3437 -0.0442 -0.0018 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.3300 -0.0489 -0.0039 -0.0002 -0.0001 0.0000 0.5350 0.0092 -0.0018 0.0002 -0.0001 0.0000 0.6841 0.0296 -0.0002 0.0006 -0.0001 0.0360 0.0055 -0.0002 0.0001 0.0457 0.0031 0.0008 0.0000 -0.0817 -0.0002 0.0013 -0.0002 0.0164 0.0017 -0.0012 0.0001 -0.0423 -0.0001 -0.0003 0.0000 -0.0066 0.0010 -0.0151 -0.0001 0.0192 0.0006 -0.0020 -0.0007 -0.0187 -0.0002 0.0022 0.0009 0.0039 -0.0007 0.0032 0.0030 -0.0021 0.0014 0.0070 -0.0044 -0.0034 0.0023 0.0007 116. (0.02880) BD*( 1) S 24- S 25 ( 46.27%) 0.6802* S 24 s( 13.96%)p 6.06( 84.66%)d 0.09( 1.22%) f 0.01( 0.14%)g 0.00( 0.02%) 0.0000 0.0000 0.3709 0.0457 -0.0007 0.0001 0.0001 0.0000 0.0000 0.0000 -0.7761 -0.0269 0.0058 -0.0004 0.0001 0.0000 -0.4625 -0.0091 0.0006 0.0002 0.0001 0.0000 0.1646 0.0482 0.0075 -0.0006 0.0001 0.0776 0.0010 -0.0028 0.0003 -0.0167 -0.0079 0.0007 0.0001 -0.0099 -0.0064 0.0003 0.0000 0.0556 -0.0058 0.0006 0.0002 -0.0505 0.0007 0.0014 -0.0002 -0.0103 0.0000 0.0130 -0.0010 0.0075 -0.0001 0.0117 -0.0001 0.0113 -0.0010 -0.0045 0.0006 -0.0279 0.0020 0.0024 0.0051 0.0026 -0.0024 -0.0029 -0.0007 -0.0061 -0.0029 0.0078 ( 53.73%) -0.7330* S 25 s( 9.16%)p 9.77( 89.49%)d 0.13( 1.23%) f 0.01( 0.11%)g 0.00( 0.01%) 0.0000 0.0000 0.2992 0.0454 0.0013 0.0005 0.0003 0.0000 0.0000 0.0000 0.7958 0.0463 0.0009 0.0013 0.0000 0.0000 0.4821 0.0104 -0.0027 0.0015 0.0000 0.0000 -0.1639 0.0046 0.0022 -0.0012 0.0001 0.0698 0.0127 0.0006 0.0000 -0.0611 0.0060 -0.0012 0.0000 -0.0380 0.0065 -0.0007 -0.0001 0.0244 0.0190 0.0003 -0.0002 -0.0293 -0.0154 0.0003 -0.0001 0.0068 0.0017 -0.0105 -0.0017 -0.0062 -0.0005 -0.0021 -0.0024 -0.0116 -0.0008 0.0051 -0.0003 0.0264 0.0015 0.0024 0.0033 0.0013 -0.0027 -0.0024 -0.0014 -0.0034 -0.0026 0.0057 117. (0.05468) BD*( 1) S 25-Sc 26 ( 13.26%) 0.3642* S 25 s( 40.97%)p 1.43( 58.66%)d 0.01( 0.36%) f 0.00( 0.02%)g 0.00( 0.00%) 0.0000 0.0000 -0.6398 0.0178 0.0023 -0.0003 -0.0002 0.0000 0.0000 0.0000 0.4776 -0.0005 -0.0072 -0.0005 0.0001 0.0000 -0.2092 0.0039 0.0011 0.0013 0.0000 0.0000 0.5608 -0.0097 -0.0080 -0.0013 0.0000 0.0174 -0.0011 -0.0001 0.0000 -0.0395 0.0102 0.0008 -0.0001 0.0248 -0.0063 -0.0009 0.0000 -0.0043 0.0030 0.0006 0.0000 -0.0296 0.0053 0.0004 -0.0001 -0.0045 0.0009 0.0066 -0.0016 -0.0057 0.0008 0.0089 -0.0013 -0.0005 0.0001 0.0066 -0.0007 -0.0018 0.0006 0.0012 -0.0011 0.0003 -0.0019 0.0008 -0.0008 0.0014 0.0001 0.0007 ( 86.74%) -0.9313*Sc 26 s( 25.34%)p 0.00( 0.10%)d 2.94( 74.39%) f 0.00( 0.08%)g 0.00( 0.09%) 0.0000 0.0000 0.0000 -0.5028 -0.0232 0.0051 0.0007 0.0011 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0052 -0.0146 0.0061 -0.0004 0.0000 0.0000 -0.0001 0.0041 -0.0001 -0.0028 0.0000 0.0000 -0.0043 -0.0235 0.0123 -0.0038 0.2056 0.0056 -0.0031 -0.0004 -0.0008 -0.7099 -0.0359 -0.0005 -0.0065 0.0015 0.0881 0.0334 0.0117 -0.0011 -0.0013 -0.2801 0.0055 0.0013 -0.0011 0.0003 -0.3274 -0.0386 0.0018 0.0010 -0.0004 0.0211 -0.0029 0.0020 0.0107 -0.0069 -0.0012 -0.0022 0.0023 0.0001 -0.0033 -0.0050 -0.0012 0.0032 0.0012 0.0004 -0.0080 -0.0011 -0.0006 -0.0076 -0.0016 0.0021 0.0079 0.0027 0.0076 -0.0020 0.0020 0.0032 -0.0158 -0.0027 0.0138 0.0007 -0.0120 -0.0035 0.0046 0.0017 -0.0098 -0.0019 -0.0070 -0.0007 118. (0.09712) BD*( 2) S 25-Sc 26 ( 5.47%) 0.2340* S 25 s( 0.01%)p 1.00( 99.75%)d 0.00( 0.21%) f 0.00( 0.04%)g 0.00( 0.00%) 0.0000 0.0000 0.0076 0.0029 -0.0003 0.0002 -0.0001 0.0000 0.0000 0.0000 -0.3354 0.0012 -0.0036 0.0004 0.0000 0.0000 0.7464 -0.0067 0.0038 -0.0013 0.0000 0.0000 0.5725 -0.0039 0.0024 -0.0002 0.0000 -0.0054 0.0028 -0.0006 0.0000 0.0207 -0.0015 -0.0003 -0.0001 -0.0020 0.0024 0.0001 -0.0001 -0.0269 0.0030 0.0009 0.0000 -0.0287 0.0071 0.0006 -0.0002 0.0021 -0.0014 0.0015 -0.0004 -0.0029 -0.0001 0.0080 -0.0006 0.0099 -0.0010 -0.0123 0.0006 0.0045 -0.0007 0.0000 -0.0019 -0.0001 -0.0005 -0.0012 0.0003 0.0001 -0.0016 -0.0011 ( 94.53%) -0.9722*Sc 26 s( 0.35%)p 2.73( 0.95%)d99.99( 96.88%) f 2.17( 0.75%)g 3.07( 1.07%) 0.0000 0.0000 0.0000 -0.0573 0.0129 0.0040 0.0028 -0.0007 -0.0007 0.0000 0.0000 0.0000 0.0000 -0.0320 0.0010 0.0090 -0.0063 0.0000 0.0000 0.0301 0.0012 -0.0118 0.0082 0.0000 0.0000 0.0725 -0.0120 -0.0384 0.0192 0.3880 -0.0475 -0.0013 -0.0030 -0.0001 0.1316 -0.0827 0.0194 0.0035 0.0003 0.7638 -0.1110 -0.0405 0.0041 0.0027 -0.1825 0.0280 0.0063 -0.0006 -0.0011 0.3985 -0.0251 -0.0229 0.0008 -0.0005 -0.0518 0.0230 -0.0075 -0.0068 -0.0013 -0.0012 -0.0250 0.0094 -0.0024 -0.0221 -0.0014 0.0006 -0.0520 0.0161 -0.0040 -0.0019 -0.0034 0.0003 -0.0016 0.0041 -0.0003 -0.0359 0.0039 -0.0596 0.0084 0.0444 -0.0057 -0.0082 0.0022 -0.0445 0.0056 -0.0286 0.0058 -0.0270 0.0027 -0.0068 -0.0011 -0.0058 0.0020 119. (0.07924) 3C*( 1) C 1- C 4- C 5 ( 27.03%) 0.5199* C 1 s( 2.53%)p38.41( 97.04%)d 0.14( 0.35%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 -0.1563 0.0291 -0.0007 -0.0011 0.0004 0.0000 -0.0268 -0.0004 -0.0122 -0.0026 0.9594 0.0094 -0.0047 -0.0006 -0.2197 -0.0266 -0.0017 -0.0027 -0.0061 0.0201 0.0005 -0.0058 0.0014 -0.0019 0.0525 0.0009 0.0016 0.0090 -0.0091 0.0009 -0.0056 -0.0047 -0.0006 0.0013 -0.0013 -0.0022 -0.0015 0.0236 0.0011 -0.0059 -0.0022 -0.0082 0.0035 0.0003 -0.0006 0.0097 0.0018 0.0039 -0.0025 -0.0054 -0.0013 0.0050 -0.0015 0.0053 -0.0021 -0.0039 ( 28.33%) -0.5323* C 4 s( 2.36%)p41.23( 97.20%)d 0.15( 0.36%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1509 -0.0282 0.0006 0.0010 -0.0005 0.0000 0.0223 -0.0060 0.0123 0.0023 -0.9816 -0.0172 0.0030 -0.0002 0.0834 -0.0230 -0.0050 -0.0034 0.0135 -0.0177 -0.0007 -0.0083 0.0068 -0.0014 0.0419 0.0087 0.0017 -0.0259 0.0086 -0.0019 -0.0190 0.0007 0.0002 0.0135 0.0003 0.0099 -0.0002 -0.0131 -0.0032 0.0100 -0.0001 -0.0078 0.0032 0.0037 -0.0010 -0.0111 -0.0014 0.0010 0.0014 -0.0021 0.0016 -0.0092 0.0012 0.0025 -0.0001 0.0049 ( 44.64%) 0.6681* C 5 s( 2.30%)p42.40( 97.37%)d 0.11( 0.26%) f 0.03( 0.06%)g 0.01( 0.02%) 0.0000 0.1491 -0.0270 -0.0017 0.0008 -0.0004 0.0000 -0.0128 -0.0305 0.0031 -0.0018 -0.9725 -0.0301 0.0093 -0.0012 0.1604 0.0074 -0.0014 0.0002 0.0416 -0.0002 -0.0001 -0.0070 0.0000 0.0000 -0.0114 0.0024 -0.0006 -0.0219 0.0088 -0.0018 -0.0096 0.0031 -0.0008 0.0033 0.0009 -0.0050 -0.0006 -0.0051 -0.0018 0.0034 0.0008 0.0028 -0.0004 0.0109 -0.0008 -0.0209 -0.0014 0.0010 -0.0039 -0.0017 0.0010 0.0100 -0.0021 0.0032 0.0005 -0.0044 120. (0.07800) 3C*( 1) C 6- C 7- C 10 ( 45.22%) 0.6725* C 6 s( 2.12%)p46.00( 97.55%)d 0.12( 0.24%) f 0.03( 0.07%)g 0.01( 0.02%) 0.0000 0.1438 -0.0226 -0.0047 0.0008 -0.0003 0.0000 0.6559 -0.0046 -0.0060 -0.0004 0.7283 0.0420 -0.0090 0.0020 -0.1134 -0.0081 0.0015 -0.0003 0.0173 -0.0076 0.0013 -0.0046 0.0015 -0.0003 -0.0107 0.0006 -0.0001 -0.0434 0.0014 -0.0003 -0.0078 0.0016 -0.0002 -0.0034 -0.0009 0.0013 0.0008 0.0072 0.0019 0.0034 -0.0005 0.0012 0.0005 0.0102 0.0016 -0.0218 -0.0003 0.0013 -0.0002 -0.0043 -0.0097 -0.0017 0.0028 -0.0040 0.0003 -0.0044 ( 27.73%) -0.5266* C 7 s( 2.48%)p39.13( 97.09%)d 0.13( 0.33%) f 0.03( 0.08%)g 0.01( 0.01%) 0.0000 0.1551 -0.0273 -0.0006 0.0009 -0.0006 0.0000 0.6889 0.0039 0.0049 0.0020 0.7022 0.0170 -0.0124 -0.0017 -0.0477 0.0224 0.0071 0.0041 0.0221 -0.0071 0.0017 0.0340 0.0023 0.0021 0.0257 0.0111 0.0003 -0.0173 0.0178 0.0005 -0.0152 0.0012 0.0005 -0.0110 0.0002 0.0170 0.0026 0.0036 0.0026 -0.0101 0.0030 0.0085 -0.0001 0.0064 0.0016 -0.0112 -0.0001 0.0007 -0.0011 -0.0004 0.0097 -0.0010 0.0013 0.0003 -0.0011 0.0049 ( 27.04%) 0.5200* C 10 s( 2.60%)p37.31( 96.97%)d 0.13( 0.34%) f 0.03( 0.08%)g 0.00( 0.01%) 0.0000 -0.1586 0.0288 0.0005 -0.0009 0.0005 0.0000 -0.6892 -0.0069 -0.0054 -0.0021 -0.6826 -0.0080 0.0143 0.0030 0.1665 0.0260 0.0019 0.0030 -0.0114 0.0069 -0.0008 0.0402 -0.0012 0.0025 0.0334 0.0022 -0.0003 0.0024 -0.0201 -0.0007 0.0005 -0.0055 -0.0001 -0.0044 0.0010 -0.0177 -0.0017 -0.0168 0.0000 -0.0059 0.0035 -0.0035 -0.0019 -0.0067 -0.0014 0.0064 0.0018 0.0033 -0.0036 -0.0055 -0.0038 0.0013 0.0040 -0.0049 0.0023 -0.0030 121. (0.00201) RY ( 1) C 1 s( 2.23%)p33.34( 74.40%)d 9.90( 22.09%) f 0.50( 1.11%)g 0.07( 0.16%) 0.0000 0.0083 0.1397 0.0477 0.0194 -0.0091 0.0002 0.0058 0.3046 0.0979 0.0233 -0.0114 0.0869 -0.0467 0.0074 0.0149 -0.7907 0.0758 0.0064 0.0132 -0.1862 -0.0043 0.1074 -0.1234 0.0145 -0.1182 -0.0089 -0.0132 0.2556 -0.1962 0.0220 0.0027 0.1993 0.0288 0.0202 0.0246 -0.0465 0.0015 -0.0557 0.0052 0.0089 0.0051 0.0434 -0.0321 -0.0131 0.0024 0.0401 -0.0047 0.0153 -0.0268 -0.0165 -0.0172 0.0041 0.0032 0.0059 0.0003 0.0049 122. (0.00150) RY ( 2) C 1 s( 0.57%)p99.99( 82.85%)d22.54( 12.74%) f 6.58( 3.72%)g 0.22( 0.12%) 0.0000 0.0066 0.0639 -0.0384 -0.0041 -0.0061 -0.0002 -0.0336 -0.5434 -0.2940 -0.0470 -0.0255 -0.5461 0.0861 -0.0218 0.0087 -0.3526 -0.1111 -0.0054 0.0182 0.2059 0.0089 -0.0275 -0.0918 -0.0340 0.1905 0.0710 0.0203 -0.0110 -0.1135 0.0056 -0.1073 0.0865 -0.0223 0.0837 -0.0150 0.0799 -0.0338 0.0672 0.0171 -0.0442 0.0044 -0.0479 0.0426 -0.0608 0.0199 -0.0849 0.0159 0.0062 0.0029 0.0184 -0.0071 -0.0179 0.0129 -0.0165 0.0035 -0.0024 123. (0.00135) RY ( 3) C 1 s( 0.23%)p99.99( 81.75%)d59.92( 14.04%) f16.49( 3.86%)g 0.51( 0.12%) 0.0000 -0.0002 0.0182 0.0439 0.0069 0.0056 0.0006 -0.0335 -0.7115 0.0025 0.0228 0.0062 0.5328 -0.1239 0.0205 -0.0136 -0.0937 0.0297 -0.0067 0.0062 -0.2083 0.0036 0.0835 -0.0338 0.0078 -0.2397 -0.0455 -0.0293 0.0785 0.0607 0.0021 0.1162 -0.0683 0.0190 0.0026 -0.0001 0.0734 -0.0033 -0.0643 -0.0115 -0.0704 0.0263 0.0381 -0.0247 -0.1312 0.0394 0.0492 -0.0060 0.0058 0.0003 -0.0194 -0.0016 0.0187 -0.0123 0.0157 -0.0034 0.0056 124. (0.00059) RY ( 4) C 1 s( 1.92%)p20.23( 38.76%)d29.45( 56.42%) f 1.45( 2.77%)g 0.07( 0.13%) 0.0000 0.0038 0.1378 -0.0004 0.0123 -0.0028 0.0013 0.0109 0.1107 -0.4259 -0.1130 -0.0228 0.4212 0.0542 0.0015 0.0039 -0.0001 0.0078 -0.0107 0.2120 0.6306 0.0283 -0.1699 0.0265 -0.0575 -0.0977 0.1239 0.0035 0.1525 -0.1935 0.0163 0.0125 0.0415 -0.0150 -0.0034 -0.0063 0.0280 -0.0252 -0.0442 0.0317 -0.0192 -0.0060 -0.0171 0.0933 0.0948 -0.0300 0.0472 -0.0423 0.0066 0.0127 -0.0028 0.0022 0.0024 0.0110 -0.0054 0.0097 -0.0280 125. (0.00037) RY ( 5) C 1 s( 59.72%)p 0.20( 11.97%)d 0.41( 24.69%) f 0.06( 3.38%)g 0.00( 0.24%) 0.0000 -0.0135 0.7457 -0.2019 -0.0037 -0.0124 -0.0002 0.0034 -0.0471 0.0535 0.0482 -0.0074 -0.1716 0.1804 -0.0251 -0.0098 0.2168 0.0388 0.0325 0.0527 -0.1705 0.0083 -0.0221 0.0165 0.0339 -0.1422 0.1247 0.0153 0.2091 -0.1177 0.0250 0.3349 -0.0822 0.0026 -0.0057 0.0020 -0.1257 0.0304 -0.0227 0.0043 -0.0473 -0.0049 -0.0768 -0.0022 0.0696 -0.0130 -0.0541 0.0210 -0.0044 -0.0120 0.0312 0.0124 -0.0242 0.0001 -0.0164 0.0007 0.0160 126. (0.00023) RY ( 6) C 1 s( 0.53%)p23.46( 12.32%)d26.79( 14.07%) f99.99( 70.41%)g 5.10( 2.68%) 0.0000 -0.0025 0.0714 -0.0091 -0.0076 -0.0037 -0.0011 0.0164 0.2037 -0.0318 -0.2716 0.0022 -0.0080 0.0063 -0.0342 0.0004 0.0669 0.0011 -0.0293 0.0282 -0.0467 -0.0289 0.0613 -0.2938 -0.0808 -0.0468 -0.0283 -0.0149 0.0213 0.0734 0.0326 0.0764 -0.1523 -0.0335 0.3243 -0.1018 0.5407 -0.1604 0.1024 -0.0312 -0.3495 0.1020 0.1470 -0.0337 -0.2721 0.0854 -0.1437 0.0408 0.0813 0.1020 0.0337 -0.0761 0.0258 -0.0342 -0.0266 0.0173 0.0044 127. (0.00015) RY ( 7) C 1 s( 7.26%)p 5.04( 36.60%)d 6.77( 49.20%) f 0.84( 6.13%)g 0.11( 0.81%) 0.0000 0.0094 0.1985 -0.1778 0.0209 0.0328 0.0018 -0.0042 -0.0662 0.3458 -0.0213 -0.0268 0.3015 0.1269 0.0078 0.0177 0.1136 -0.3313 -0.1038 -0.0075 0.0308 0.0154 0.2014 -0.2005 -0.0043 0.4527 0.0423 0.0269 0.0760 -0.1656 -0.0123 -0.3483 0.2187 0.0095 -0.0860 0.0230 0.1286 -0.0519 0.1368 0.0065 0.0661 -0.0229 -0.0951 0.0154 0.0286 -0.0096 -0.0174 0.0028 0.0259 -0.0182 0.0161 -0.0516 -0.0253 0.0441 -0.0266 0.0269 0.0116 128. (0.00009) RY ( 8) C 1 s( 7.30%)p 5.43( 39.60%)d 6.31( 46.09%) f 0.84( 6.12%)g 0.12( 0.90%) 129. (0.00009) RY ( 9) C 1 s( 2.57%)p 6.56( 16.90%)d28.42( 73.16%) f 2.71( 6.97%)g 0.15( 0.39%) 130. (0.00004) RY (10) C 1 s( 6.39%)p 4.74( 30.32%)d 7.39( 47.23%) f 2.43( 15.51%)g 0.09( 0.54%) 131. (0.00003) RY (11) C 1 s( 4.89%)p 5.73( 28.03%)d 8.61( 42.13%) f 4.91( 24.01%)g 0.19( 0.94%) 132. (0.00002) RY (12) C 1 s( 4.56%)p 6.84( 31.22%)d10.32( 47.10%) f 2.88( 13.13%)g 0.87( 3.99%) 133. (0.00001) RY (13) C 1 s( 8.19%)p 4.76( 38.96%)d 4.75( 38.89%) f 1.59( 13.04%)g 0.11( 0.92%) 134. (0.00001) RY (14) C 1 s( 4.35%)p 3.11( 13.53%)d11.74( 51.04%) f 6.41( 27.88%)g 0.74( 3.20%) 135. (0.00001) RY (15) C 1 s( 11.63%)p 0.50( 5.84%)d 3.05( 35.51%) f 3.27( 38.01%)g 0.78( 9.01%) 136. (0.00001) RY (16) C 1 s( 6.13%)p 2.25( 13.80%)d 4.24( 25.97%) f 6.56( 40.20%)g 2.27( 13.90%) 137. (0.00000) RY (17) C 1 s( 9.32%)p 1.26( 11.72%)d 4.60( 42.90%) f 3.30( 30.79%)g 0.56( 5.26%) 138. (0.00000) RY (18) C 1 s( 8.72%)p 2.09( 18.27%)d 4.66( 40.61%) f 3.51( 30.64%)g 0.20( 1.75%) 139. (0.00000) RY (19) C 1 s( 6.46%)p 1.09( 7.06%)d 1.96( 12.67%) f 3.99( 25.78%)g 7.44( 48.04%) 140. (0.00000) RY (20) C 1 s( 4.86%)p 0.28( 1.34%)d 2.87( 13.96%) f 6.09( 29.64%)g10.32( 50.20%) 141. (0.00000) RY (21) C 1 s( 2.57%)p 1.67( 4.28%)d16.67( 42.81%) f 6.06( 15.55%)g13.55( 34.79%) 142. (0.00000) RY (22) C 1 s( 8.54%)p 0.27( 2.28%)d 3.14( 26.85%) f 3.79( 32.34%)g 3.51( 29.99%) 143. (0.00000) RY (23) C 1 s( 13.08%)p 0.19( 2.46%)d 1.58( 20.68%) f 2.19( 28.60%)g 2.69( 35.18%) 144. (0.00000) RY (24) C 1 s( 13.14%)p 0.44( 5.79%)d 1.77( 23.24%) f 0.85( 11.20%)g 3.55( 46.63%) 145. (0.00000) RY (25) C 1 s( 45.65%)p 0.15( 6.64%)d 0.43( 19.47%) f 0.34( 15.72%)g 0.27( 12.52%) 146. (0.00000) RY (26) C 1 s( 2.71%)p 9.27( 25.14%)d13.99( 37.96%) f 7.59( 20.60%)g 5.01( 13.58%) 147. (0.00000) RY (27) C 1 s( 3.08%)p 3.82( 11.80%)d12.62( 38.94%) f 9.94( 30.65%)g 5.03( 15.52%) 148. (0.00000) RY (28) C 1 s( 3.33%)p 4.68( 15.59%)d10.77( 35.91%) f 9.42( 31.41%)g 4.12( 13.75%) 149. (0.00000) RY (29) C 1 s( 1.77%)p36.44( 64.52%)d 5.64( 9.98%) f 7.68( 13.61%)g 5.72( 10.12%) 150. (0.00000) RY (30) C 1 s( 5.78%)p 1.68( 9.71%)d 6.80( 39.26%) f 7.29( 42.14%)g 0.54( 3.11%) 151. (0.00000) RY (31) C 1 s( 11.71%)p 3.68( 43.03%)d 1.36( 15.92%) f 1.52( 17.77%)g 0.99( 11.58%) 152. (0.00000) RY (32) C 1 s( 6.26%)p 3.54( 22.12%)d 2.40( 15.03%) f 8.29( 51.88%)g 0.75( 4.71%) 153. (0.00000) RY (33) C 1 s( 11.03%)p 0.62( 6.81%)d 2.64( 29.15%) f 4.37( 48.26%)g 0.43( 4.75%) 154. (0.00000) RY (34) C 1 s( 18.52%)p 0.51( 9.48%)d 2.03( 37.61%) f 1.38( 25.57%)g 0.48( 8.82%) 155. (0.00000) RY (35) C 1 s( 5.94%)p 3.08( 18.29%)d 4.69( 27.85%) f 6.98( 41.46%)g 1.09( 6.45%) 156. (0.00000) RY (36) C 1 s( 25.68%)p 0.34( 8.67%)d 1.79( 46.00%) f 0.67( 17.16%)g 0.10( 2.49%) 157. (0.00000) RY (37) C 1 s( 4.28%)p 3.92( 16.79%)d 8.23( 35.24%) f 9.80( 41.96%)g 0.40( 1.73%) 158. (0.00000) RY (38) C 1 s( 6.47%)p 2.39( 15.45%)d 8.44( 54.63%) f 3.40( 21.99%)g 0.23( 1.46%) 159. (0.00000) RY (39) C 1 s( 46.10%)p 0.00( 0.21%)d 0.07( 3.45%) f 0.46( 21.31%)g 0.63( 28.93%) 160. (0.00000) RY (40) C 1 s( 37.78%)p 0.01( 0.23%)d 0.33( 12.63%) f 0.54( 20.25%)g 0.77( 29.12%) 161. (0.00000) RY (41) C 1 s( 4.25%)p 0.36( 1.52%)d 3.50( 14.87%) f11.10( 47.16%)g 7.58( 32.21%) 162. (0.00000) RY (42) C 1 s( 12.03%)p 0.03( 0.36%)d 1.10( 13.17%) f 4.86( 58.42%)g 1.33( 16.02%) 163. (0.00000) RY (43) C 1 s( 1.13%)p 0.24( 0.27%)d10.81( 12.17%) f49.13( 55.29%)g27.67( 31.14%) 164. (0.00000) RY (44) C 1 s( 0.10%)p 5.58( 0.56%)d99.99( 15.74%) f99.99( 43.81%)g99.99( 39.79%) 165. (0.00000) RY (45) C 1 s( 2.79%)p 0.15( 0.41%)d 1.60( 4.46%) f 5.65( 15.76%)g27.47( 76.58%) 166. (0.00000) RY (46) C 1 s( 7.49%)p 0.07( 0.51%)d 1.80( 13.47%) f 6.86( 51.37%)g 3.63( 27.15%) 167. (0.00000) RY (47) C 1 s( 5.51%)p 0.21( 1.18%)d 7.43( 40.92%) f 6.08( 33.49%)g 3.43( 18.90%) 168. (0.00000) RY (48) C 1 s( 1.38%)p 0.45( 0.62%)d 9.46( 13.09%) f11.52( 15.93%)g49.87( 68.99%) 169. (0.00000) RY (49) C 1 s( 2.12%)p 0.38( 0.80%)d 7.20( 15.22%) f32.00( 67.69%)g 6.70( 14.17%) 170. (0.00000) RY (50) C 1 s( 10.45%)p 0.37( 3.82%)d 2.53( 26.44%) f 3.31( 34.59%)g 2.36( 24.70%) 171. (0.00000) RY (51) C 1 s( 11.19%)p 0.43( 4.82%)d 2.37( 26.52%) f 1.86( 20.80%)g 3.28( 36.67%) 172. (0.00000) RY (52) C 1 s( 10.47%)p 0.13( 1.39%)d 1.92( 20.14%) f 1.23( 12.90%)g 5.26( 55.09%) 173. (0.00178) RY ( 1) C 2 s( 3.91%)p19.21( 75.16%)d 5.14( 20.13%) f 0.17( 0.68%)g 0.03( 0.12%) 0.0000 0.0117 0.1964 0.0114 0.0123 -0.0125 0.0003 0.0110 -0.7926 0.0037 0.0033 -0.0310 -0.0905 -0.0205 0.0010 0.0167 -0.3335 0.0450 0.0087 -0.0752 0.0729 -0.0070 -0.1321 0.2983 0.0032 0.0085 -0.0253 -0.0007 0.1257 -0.0037 0.0262 0.1659 -0.1967 0.0176 -0.0255 -0.0089 0.0035 0.0042 0.0190 -0.0047 0.0417 0.0141 -0.0440 0.0142 0.0289 0.0122 -0.0221 0.0101 -0.0129 -0.0275 -0.0011 0.0114 -0.0062 0.0086 -0.0041 -0.0067 -0.0024 174. (0.00132) RY ( 2) C 2 s( 0.10%)p99.99( 93.06%)d19.53( 2.03%) f46.18( 4.79%)g 0.15( 0.02%) 0.0000 0.0014 0.0013 0.0316 0.0052 -0.0031 0.0002 0.0244 0.3900 0.1398 0.0243 -0.0119 0.0327 -0.0486 -0.0031 -0.0408 -0.8422 -0.2061 -0.0281 -0.0712 0.0027 -0.0150 -0.0160 0.0150 -0.0080 -0.0267 0.0398 -0.0019 0.0434 0.0180 0.0158 0.0379 -0.0888 -0.0179 -0.0510 0.0150 0.1872 -0.0473 -0.0138 0.0148 -0.0760 0.0291 0.0201 -0.0004 0.0049 -0.0044 -0.0183 -0.0035 -0.0078 0.0019 0.0029 0.0076 -0.0002 -0.0018 -0.0028 -0.0016 -0.0026 175. (0.00087) RY ( 3) C 2 s( 1.39%)p57.62( 80.25%)d10.74( 14.96%) f 2.27( 3.16%)g 0.16( 0.23%) 0.0000 0.0048 -0.0331 0.1116 0.0187 0.0014 0.0009 -0.0079 -0.0401 0.0539 0.0059 -0.0178 0.8745 -0.1426 0.0186 0.0044 0.0396 0.1028 0.0047 -0.3269 0.0143 -0.0426 0.0089 -0.0109 0.0250 -0.1194 -0.0097 -0.0190 0.1168 -0.0221 0.0128 0.1034 0.0119 0.0075 0.0276 0.0037 -0.0371 0.0116 0.0698 -0.0240 -0.0302 0.0053 -0.1475 0.0211 -0.0080 0.0071 -0.0132 -0.0218 -0.0052 0.0038 0.0233 -0.0008 -0.0043 -0.0024 -0.0390 0.0067 -0.0109 176. (0.00036) RY ( 4) C 2 s( 5.79%)p 2.99( 17.32%)d12.34( 71.48%) f 0.90( 5.23%)g 0.03( 0.17%) 0.0000 -0.0063 0.2305 -0.0684 0.0006 -0.0078 0.0002 -0.0088 0.0064 0.2073 0.0842 0.0011 -0.0490 0.0065 -0.0441 0.0036 0.1376 -0.2940 -0.1151 -0.2945 -0.2660 -0.0357 0.0130 0.0779 -0.0287 0.2172 0.6401 0.0296 0.1760 -0.1704 0.0298 -0.1632 -0.0352 -0.0494 0.0700 -0.0454 -0.0322 -0.0052 -0.0301 0.0739 0.1323 -0.0369 -0.0653 0.0635 -0.0617 0.0082 0.0464 -0.0691 0.0112 0.0027 -0.0218 0.0193 0.0156 0.0011 -0.0123 -0.0035 0.0179 177. (0.00030) RY ( 5) C 2 s( 53.46%)p 0.24( 12.71%)d 0.57( 30.68%) f 0.05( 2.91%)g 0.00( 0.23%) 0.0000 -0.0144 0.7000 -0.2106 0.0052 -0.0089 -0.0004 -0.0100 0.2362 -0.0353 0.0174 -0.0074 -0.0511 0.1816 -0.0207 -0.0078 0.1135 0.1434 0.0113 -0.1476 0.2288 0.0063 0.1843 -0.0584 -0.0165 -0.1415 -0.1768 0.0026 0.3021 -0.0242 0.0150 0.2014 -0.0955 0.0433 -0.0816 0.0170 0.0909 -0.0268 -0.0584 -0.0181 0.0455 -0.0009 0.0358 -0.0344 -0.0191 -0.0079 -0.0589 0.0322 -0.0140 0.0028 -0.0140 0.0148 0.0002 0.0073 0.0392 0.0069 -0.0089 178. (0.00022) RY ( 6) C 2 s( 0.79%)p18.27( 14.50%)d16.07( 12.75%) f87.33( 69.30%)g 3.36( 2.67%) 0.0000 -0.0012 0.0853 -0.0246 0.0061 -0.0034 0.0004 0.0086 0.1512 -0.0512 -0.1455 -0.0013 -0.0475 0.0139 0.0365 -0.0159 -0.1739 0.0076 0.2527 0.0002 0.0903 -0.0087 -0.0386 0.1960 0.0433 -0.0615 0.0132 0.0248 0.0321 -0.1233 -0.0473 0.0029 0.2217 0.0726 0.0778 -0.0237 -0.7414 0.2270 -0.0842 0.0072 0.1020 -0.0283 -0.1724 0.0464 0.1491 -0.0440 0.1022 -0.0146 0.0977 -0.0781 0.0056 -0.0882 -0.0358 0.0301 -0.0125 0.0242 0.0174 179. (0.00014) RY ( 7) C 2 s( 1.57%)p14.08( 22.06%)d43.01( 67.38%) f 4.80( 7.51%)g 0.94( 1.48%) 0.0000 -0.0044 -0.0317 0.1003 -0.0386 -0.0555 -0.0016 -0.0089 -0.2264 0.1298 0.0494 0.0073 -0.2235 -0.2761 -0.0009 -0.0081 -0.1238 0.0642 0.0651 -0.2191 -0.1143 -0.0224 0.4898 -0.4255 -0.0173 -0.2271 -0.0641 -0.0042 0.1023 -0.0319 -0.0148 -0.1733 0.3054 0.0145 -0.1670 0.0697 -0.0102 0.0137 0.0582 -0.0218 0.1000 -0.0377 -0.1342 0.0035 0.0618 -0.0188 -0.0647 -0.0208 0.0178 0.0733 0.0354 -0.0516 0.0190 0.0354 -0.0390 0.0449 0.0058 180. (0.00006) RY ( 8) C 2 s( 3.32%)p 5.20( 17.29%)d21.10( 70.12%) f 2.75( 9.15%)g 0.04( 0.12%) 181. (0.00004) RY ( 9) C 2 s( 12.75%)p 2.22( 28.34%)d 2.76( 35.18%) f 1.76( 22.44%)g 0.10( 1.28%) 182. (0.00002) RY (10) C 2 s( 5.88%)p 5.79( 34.05%)d 7.85( 46.11%) f 2.25( 13.24%)g 0.12( 0.72%) 183. (0.00002) RY (11) C 2 s( 0.87%)p22.41( 19.55%)d75.43( 65.80%) f15.23( 13.28%)g 0.57( 0.50%) 184. (0.00001) RY (12) C 2 s( 8.51%)p 6.81( 57.92%)d 3.23( 27.44%) f 0.69( 5.87%)g 0.03( 0.26%) 185. (0.00001) RY (13) C 2 s( 5.80%)p 2.60( 15.12%)d 8.79( 50.99%) f 2.59( 15.04%)g 2.25( 13.04%) 186. (0.00001) RY (14) C 2 s( 8.28%)p 2.51( 20.80%)d 3.07( 25.43%) f 4.38( 36.28%)g 1.11( 9.21%) 187. (0.00001) RY (15) C 2 s( 18.10%)p 1.26( 22.83%)d 2.58( 46.66%) f 0.59( 10.60%)g 0.10( 1.81%) 188. (0.00000) RY (16) C 2 s( 0.38%)p 5.16( 1.94%)d38.35( 14.39%) f59.53( 22.35%)g99.99( 60.94%) 189. (0.00000) RY (17) C 2 s( 1.33%)p 2.93( 3.89%)d 4.84( 6.43%) f33.78( 44.86%)g32.75( 43.49%) 190. (0.00000) RY (18) C 2 s( 4.42%)p 0.84( 3.72%)d 3.57( 15.78%) f 3.52( 15.58%)g13.68( 60.50%) 191. (0.00000) RY (19) C 2 s( 2.56%)p 5.29( 13.54%)d19.43( 49.73%) f 6.15( 15.76%)g 7.19( 18.41%) 192. (0.00000) RY (20) C 2 s( 20.96%)p 0.33( 6.89%)d 1.43( 30.04%) f 1.45( 30.32%)g 0.56( 11.80%) 193. (0.00000) RY (21) C 2 s( 29.99%)p 0.46( 13.88%)d 0.45( 13.48%) f 0.78( 23.25%)g 0.65( 19.40%) 194. (0.00000) RY (22) C 2 s( 43.76%)p 0.07( 3.26%)d 0.55( 23.97%) f 0.44( 19.14%)g 0.23( 9.87%) 195. (0.00000) RY (23) C 2 s( 2.10%)p11.54( 24.25%)d12.07( 25.36%) f12.50( 26.27%)g10.48( 22.03%) 196. (0.00000) RY (24) C 2 s( 1.67%)p15.90( 26.63%)d18.85( 31.58%) f12.01( 20.13%)g11.94( 20.00%) 197. (0.00000) RY (25) C 2 s( 2.14%)p 1.33( 2.86%)d16.07( 34.46%) f18.63( 39.97%)g 9.59( 20.56%) 198. (0.00000) RY (26) C 2 s( 8.80%)p 3.11( 27.33%)d 1.49( 13.07%) f 4.55( 40.01%)g 1.23( 10.78%) 199. (0.00000) RY (27) C 2 s( 6.04%)p 5.87( 35.46%)d 1.36( 8.21%) f 6.90( 41.69%)g 1.42( 8.59%) 200. (0.00000) RY (28) C 2 s( 7.34%)p 3.26( 23.93%)d 3.54( 25.97%) f 4.11( 30.14%)g 1.72( 12.61%) 201. (0.00000) RY (29) C 2 s( 3.25%)p 5.53( 17.96%)d 6.67( 21.67%) f13.40( 43.57%)g 4.17( 13.55%) 202. (0.00000) RY (30) C 2 s( 7.53%)p 3.15( 23.73%)d 4.72( 35.52%) f 3.32( 25.01%)g 1.09( 8.21%) 203. (0.00000) RY (31) C 2 s( 11.29%)p 1.14( 12.89%)d 5.37( 60.63%) f 1.09( 12.27%)g 0.26( 2.93%) 204. (0.00000) RY (32) C 2 s( 3.11%)p 6.30( 19.60%)d 8.50( 26.45%) f14.96( 46.54%)g 1.38( 4.30%) 205. (0.00000) RY (33) C 2 s( 17.85%)p 0.95( 16.87%)d 1.70( 30.27%) f 1.52( 27.09%)g 0.44( 7.92%) 206. (0.00000) RY (34) C 2 s( 2.99%)p 1.56( 4.67%)d18.22( 54.52%) f12.28( 36.74%)g 0.36( 1.07%) 207. (0.00000) RY (35) C 2 s( 22.77%)p 1.00( 22.82%)d 1.60( 36.49%) f 0.61( 13.93%)g 0.18( 3.99%) 208. (0.00000) RY (36) C 2 s( 6.56%)p 1.68( 11.04%)d 5.11( 33.51%) f 6.72( 44.13%)g 0.72( 4.75%) 209. (0.00000) RY (37) C 2 s( 3.96%)p 5.42( 21.47%)d 8.50( 33.67%) f 9.54( 37.79%)g 0.78( 3.10%) 210. (0.00000) RY (38) C 2 s( 18.90%)p 0.64( 12.16%)d 1.51( 28.63%) f 1.97( 37.15%)g 0.17( 3.17%) 211. (0.00000) RY (39) C 2 s( 78.49%)p 0.00( 0.12%)d 0.03( 2.43%) f 0.19( 14.82%)g 0.05( 4.14%) 212. (0.00000) RY (40) C 2 s( 0.51%)p 0.58( 0.30%)d55.09( 28.17%) f85.33( 43.63%)g53.59( 27.40%) 213. (0.00000) RY (41) C 2 s( 1.20%)p 0.97( 1.15%)d 6.51( 7.78%) f24.80( 29.65%)g50.35( 60.22%) 214. (0.00000) RY (42) C 2 s( 0.31%)p 5.59( 1.71%)d83.51( 25.50%) f95.51( 29.16%)g99.99( 43.32%) 215. (0.00000) RY (43) C 2 s( 10.14%)p 0.04( 0.37%)d 0.96( 9.69%) f 5.64( 57.15%)g 2.23( 22.65%) 216. (0.00000) RY (44) C 2 s( 6.32%)p 0.64( 4.06%)d 3.58( 22.62%) f 6.28( 39.70%)g 4.32( 27.31%) 217. (0.00000) RY (45) C 2 s( 2.59%)p 0.35( 0.89%)d 2.53( 6.54%) f11.95( 30.93%)g22.82( 59.05%) 218. (0.00000) RY (46) C 2 s( 0.88%)p 0.66( 0.58%)d26.01( 22.86%) f36.79( 32.33%)g49.34( 43.36%) 219. (0.00000) RY (47) C 2 s( 0.40%)p 1.40( 0.56%)d47.82( 19.14%) f99.99( 43.69%)g90.48( 36.21%) 220. (0.00000) RY (48) C 2 s( 0.87%)p 2.38( 2.07%)d29.00( 25.24%) f43.63( 37.97%)g38.91( 33.86%) 221. (0.00000) RY (49) C 2 s( 0.37%)p 3.64( 1.34%)d56.53( 20.88%) f99.99( 45.00%)g87.73( 32.41%) 222. (0.00000) RY (50) C 2 s( 3.63%)p 1.07( 3.88%)d 1.91( 6.93%) f 8.72( 31.68%)g14.82( 53.87%) 223. (0.00000) RY (51) C 2 s( 26.59%)p 0.01( 0.17%)d 1.31( 34.75%) f 0.67( 17.83%)g 0.78( 20.65%) 224. (0.00000) RY (52) C 2 s( 7.61%)p 0.22( 1.67%)d 3.41( 25.94%) f 4.35( 33.08%)g 4.17( 31.70%) 225. (0.00180) RY ( 1) C 3 s( 3.77%)p19.91( 75.13%)d 5.37( 20.26%) f 0.19( 0.71%)g 0.03( 0.12%) 0.0000 0.0125 0.1924 0.0150 0.0140 -0.0119 0.0003 0.0086 -0.7189 -0.0019 0.0023 -0.0370 0.0732 -0.0332 -0.0004 -0.0083 0.4744 -0.0383 -0.0091 -0.0254 -0.0360 -0.0077 0.1728 -0.3430 -0.0006 0.1161 -0.0689 0.0185 0.1397 -0.0601 0.0234 0.0805 -0.0652 0.0115 0.0171 0.0053 -0.0038 0.0190 -0.0018 -0.0033 -0.0426 -0.0137 0.0597 -0.0064 -0.0035 0.0132 -0.0244 0.0009 -0.0224 0.0099 -0.0072 0.0184 0.0010 0.0014 0.0100 -0.0108 -0.0028 226. (0.00137) RY ( 2) C 3 s( 0.07%)p99.99( 93.67%)d20.17( 1.47%) f65.46( 4.77%)g 0.22( 0.02%) 0.0000 0.0011 -0.0055 0.0258 0.0047 -0.0033 0.0000 0.0332 0.5395 0.1671 0.0287 0.0020 0.2173 0.0233 0.0030 0.0371 0.7309 0.1784 0.0242 -0.0367 -0.0176 -0.0111 0.0326 -0.0449 0.0032 0.0362 -0.0602 -0.0037 0.0272 0.0317 0.0155 0.0075 -0.0503 -0.0176 -0.0458 0.0032 0.1481 -0.0352 0.0248 -0.0026 0.1162 -0.0387 0.0685 -0.0190 0.0185 -0.0091 0.0303 -0.0189 -0.0027 -0.0075 -0.0022 0.0047 -0.0025 0.0062 0.0043 -0.0028 0.0002 227. (0.00085) RY ( 3) C 3 s( 1.66%)p48.84( 81.21%)d 8.37( 13.91%) f 1.79( 2.97%)g 0.14( 0.24%) 0.0000 0.0059 -0.0576 0.1138 0.0176 0.0028 0.0010 -0.0056 -0.0149 0.0628 0.0012 -0.0166 0.8420 -0.1705 0.0118 0.0047 -0.2590 -0.0482 -0.0058 -0.2633 0.0116 -0.0407 0.0785 0.0304 -0.0107 0.2347 0.0176 0.0308 0.0631 -0.0164 0.0023 -0.0147 -0.0026 -0.0024 -0.0276 0.0062 -0.1076 0.0153 0.0108 -0.0170 0.0070 0.0123 0.1125 -0.0118 -0.0513 0.0114 0.0211 -0.0229 0.0153 0.0123 -0.0152 -0.0107 -0.0225 0.0122 0.0306 -0.0089 0.0016 228. (0.00035) RY ( 4) C 3 s( 5.85%)p 2.83( 16.55%)d12.28( 71.86%) f 0.95( 5.56%)g 0.03( 0.18%) 0.0000 -0.0066 0.2338 -0.0612 -0.0020 -0.0084 0.0000 -0.0092 -0.0121 0.2653 0.1006 0.0009 -0.0828 0.0853 -0.0164 -0.0007 -0.1042 0.2198 0.1057 -0.3402 -0.3924 -0.0321 -0.0029 0.1176 0.0141 -0.1167 -0.5229 -0.0344 0.2302 0.0275 0.0402 -0.0625 0.2911 -0.0383 0.0209 -0.0338 -0.0338 0.0100 -0.1256 0.1063 -0.0916 0.0158 -0.0052 -0.0051 -0.1060 0.0310 0.0043 -0.0692 -0.0054 -0.0126 0.0213 -0.0080 0.0106 -0.0167 0.0127 -0.0121 0.0200 229. (0.00028) RY ( 5) C 3 s( 50.60%)p 0.21( 10.59%)d 0.63( 31.63%) f 0.14( 6.84%)g 0.01( 0.34%) 0.0000 -0.0144 0.6801 -0.2079 0.0000 -0.0091 -0.0004 -0.0095 0.1837 -0.0377 0.0239 -0.0042 -0.0762 0.1188 -0.0142 0.0104 -0.1529 -0.1624 0.0086 -0.1263 0.2332 0.0227 -0.1335 -0.0460 0.0212 0.3663 0.0381 0.0221 0.1929 -0.0406 0.0186 0.1171 -0.1891 0.0169 -0.0021 0.0304 0.2061 -0.0574 0.0175 -0.0300 0.0900 -0.0224 0.0671 -0.0142 -0.0250 -0.0123 -0.0728 0.0328 -0.0163 -0.0408 0.0045 0.0238 0.0012 0.0057 -0.0151 0.0175 -0.0181 230. (0.00022) RY ( 6) C 3 s( 3.32%)p 4.42( 14.69%)d 4.25( 14.13%) f19.65( 65.29%)g 0.77( 2.57%) 0.0000 -0.0033 0.1719 -0.0597 0.0071 -0.0064 0.0004 0.0097 0.2011 -0.0521 -0.1909 0.0035 -0.0060 0.0109 -0.0369 0.0148 0.1309 -0.0142 -0.2194 -0.0168 0.0948 -0.0195 0.0015 -0.1034 0.0023 0.1072 0.0940 0.0052 0.0471 -0.1689 -0.0470 -0.0389 0.2422 0.0862 0.3550 -0.0931 -0.5738 0.1787 -0.0817 0.0033 -0.3147 0.0986 -0.1692 0.0519 0.0937 -0.0339 0.0085 0.0170 0.0088 0.1420 0.0189 -0.0195 0.0243 -0.0569 -0.0219 0.0197 -0.0084 231. (0.00013) RY ( 7) C 3 s( 2.45%)p 9.11( 22.29%)d26.95( 65.96%) f 3.20( 7.83%)g 0.60( 1.48%) 0.0000 -0.0036 -0.0529 0.1289 -0.0381 -0.0599 -0.0019 -0.0060 -0.1958 0.0829 0.0409 0.0121 -0.1794 -0.2934 -0.0187 0.0055 0.2279 0.0029 -0.0726 -0.3281 0.0670 -0.0115 -0.4523 0.4807 0.0288 0.2323 0.1587 0.0175 -0.1044 0.0285 -0.0129 -0.1258 0.0610 -0.0059 0.1157 -0.0398 0.0387 -0.0349 0.0916 -0.0481 -0.0965 0.0521 0.1770 -0.0198 -0.0269 -0.0013 -0.0733 0.0027 0.0752 -0.0061 -0.0094 -0.0475 -0.0621 -0.0491 0.0102 0.0169 -0.0084 232. (0.00007) RY ( 8) C 3 s( 3.86%)p 4.89( 18.88%)d17.54( 67.68%) f 2.43( 9.37%)g 0.05( 0.21%) 233. (0.00004) RY ( 9) C 3 s( 9.10%)p 2.88( 26.26%)d 4.51( 41.07%) f 2.47( 22.50%)g 0.12( 1.07%) 234. (0.00003) RY (10) C 3 s( 8.16%)p 3.62( 29.52%)d 5.93( 48.38%) f 1.65( 13.44%)g 0.06( 0.51%) 235. (0.00002) RY (11) C 3 s( 20.56%)p 2.60( 53.38%)d 0.73( 15.06%) f 0.52( 10.59%)g 0.02( 0.40%) 236. (0.00002) RY (12) C 3 s( 0.85%)p31.74( 27.01%)d74.98( 63.82%) f 8.93( 7.60%)g 0.83( 0.71%) 237. (0.00001) RY (13) C 3 s( 3.07%)p 9.43( 28.95%)d11.82( 36.30%) f 4.89( 15.02%)g 5.43( 16.66%) 238. (0.00001) RY (14) C 3 s( 6.92%)p 2.31( 15.98%)d 4.93( 34.07%) f 5.77( 39.88%)g 0.46( 3.15%) 239. (0.00001) RY (15) C 3 s( 9.05%)p 4.48( 40.56%)d 4.32( 39.07%) f 0.82( 7.39%)g 0.43( 3.92%) 240. (0.00000) RY (16) C 3 s( 6.15%)p 1.57( 9.66%)d 4.55( 28.00%) f 4.04( 24.83%)g 5.09( 31.35%) 241. (0.00000) RY (17) C 3 s( 0.55%)p 4.65( 2.56%)d27.04( 14.87%) f41.29( 22.70%)g99.99( 59.33%) 242. (0.00000) RY (18) C 3 s( 6.38%)p 1.39( 8.83%)d 2.24( 14.28%) f 1.30( 8.30%)g 9.76( 62.21%) 243. (0.00000) RY (19) C 3 s( 15.30%)p 0.71( 10.89%)d 1.30( 19.93%) f 1.61( 24.64%)g 1.91( 29.24%) 244. (0.00000) RY (20) C 3 s( 6.12%)p 1.43( 8.75%)d 3.62( 22.13%) f 2.82( 17.23%)g 7.48( 45.77%) 245. (0.00000) RY (21) C 3 s( 14.62%)p 0.45( 6.53%)d 1.53( 22.42%) f 1.64( 23.91%)g 2.23( 32.53%) 246. (0.00000) RY (22) C 3 s( 18.22%)p 0.27( 4.97%)d 1.18( 21.58%) f 1.58( 28.77%)g 1.45( 26.46%) 247. (0.00000) RY (23) C 3 s( 24.85%)p 0.16( 3.98%)d 1.00( 24.73%) f 1.01( 25.18%)g 0.86( 21.25%) 248. (0.00000) RY (24) C 3 s( 8.54%)p 3.69( 31.55%)d 2.91( 24.82%) f 2.42( 20.68%)g 1.69( 14.41%) 249. (0.00000) RY (25) C 3 s( 2.02%)p 6.09( 12.32%)d15.03( 30.41%) f24.44( 49.45%)g 2.87( 5.80%) 250. (0.00000) RY (26) C 3 s( 1.66%)p18.15( 30.06%)d 5.54( 9.17%) f29.39( 48.69%)g 6.29( 10.42%) 251. (0.00000) RY (27) C 3 s( 11.13%)p 3.48( 38.69%)d 2.16( 24.06%) f 1.49( 16.55%)g 0.86( 9.57%) 252. (0.00000) RY (28) C 3 s( 14.35%)p 0.29( 4.16%)d 1.52( 21.86%) f 3.45( 49.52%)g 0.70( 10.11%) 253. (0.00000) RY (29) C 3 s( 18.90%)p 1.36( 25.77%)d 1.46( 27.54%) f 1.32( 24.86%)g 0.15( 2.92%) 254. (0.00000) RY (30) C 3 s( 7.44%)p 1.85( 13.78%)d 5.04( 37.53%) f 4.16( 30.99%)g 1.38( 10.27%) 255. (0.00000) RY (31) C 3 s( 1.88%)p 6.59( 12.41%)d23.08( 43.43%) f16.33( 30.73%)g 6.14( 11.55%) 256. (0.00000) RY (32) C 3 s( 7.13%)p 2.06( 14.65%)d 4.69( 33.45%) f 4.78( 34.04%)g 1.50( 10.73%) 257. (0.00000) RY (33) C 3 s( 5.09%)p 5.78( 29.41%)d 8.59( 43.70%) f 3.31( 16.83%)g 0.98( 4.97%) 258. (0.00000) RY (34) C 3 s( 2.26%)p 2.61( 5.91%)d23.99( 54.27%) f15.72( 35.57%)g 0.88( 1.98%) 259. (0.00000) RY (35) C 3 s( 6.48%)p 3.27( 21.16%)d 7.04( 45.61%) f 3.57( 23.09%)g 0.57( 3.67%) 260. (0.00000) RY (36) C 3 s( 41.55%)p 0.32( 13.34%)d 0.57( 23.81%) f 0.42( 17.59%)g 0.09( 3.71%) 261. (0.00000) RY (37) C 3 s( 9.23%)p 0.27( 2.47%)d 4.30( 39.69%) f 4.92( 45.40%)g 0.35( 3.20%) 262. (0.00000) RY (38) C 3 s( 1.60%)p11.11( 17.74%)d20.01( 31.95%) f28.18( 45.01%)g 2.32( 3.70%) 263. (0.00000) RY (39) C 3 s( 72.85%)p 0.00( 0.30%)d 0.12( 8.42%) f 0.15( 11.08%)g 0.10( 7.36%) 264. (0.00000) RY (40) C 3 s( 13.13%)p 0.12( 1.56%)d 0.57( 7.51%) f 2.68( 35.22%)g 3.24( 42.58%) 265. (0.00000) RY (41) C 3 s( 1.84%)p 1.46( 2.69%)d20.34( 37.52%) f13.93( 25.70%)g17.48( 32.25%) 266. (0.00000) RY (42) C 3 s( 1.45%)p 0.73( 1.06%)d 7.27( 10.53%) f31.52( 45.63%)g28.54( 41.33%) 267. (0.00000) RY (43) C 3 s( 0.48%)p 2.80( 1.33%)d55.71( 26.60%) f98.71( 47.13%)g51.22( 24.46%) 268. (0.00000) RY (44) C 3 s( 4.61%)p 0.14( 0.64%)d 2.38( 10.96%) f 5.23( 24.15%)g12.93( 59.64%) 269. (0.00000) RY (45) C 3 s( 2.82%)p 0.54( 1.52%)d 8.26( 23.30%) f13.98( 39.46%)g11.66( 32.90%) 270. (0.00000) RY (46) C 3 s( 2.60%)p 0.21( 0.55%)d 6.38( 16.61%) f19.85( 51.65%)g10.99( 28.60%) 271. (0.00000) RY (47) C 3 s( 1.07%)p 0.29( 0.31%)d27.98( 30.02%) f23.11( 24.80%)g40.82( 43.80%) 272. (0.00000) RY (48) C 3 s( 1.54%)p 0.75( 1.16%)d18.16( 28.00%) f26.31( 40.57%)g18.63( 28.73%) 273. (0.00000) RY (49) C 3 s( 15.87%)p 0.06( 0.90%)d 0.54( 8.52%) f 2.00( 31.75%)g 2.71( 42.96%) 274. (0.00000) RY (50) C 3 s( 5.97%)p 0.16( 0.92%)d 7.79( 46.48%) f 1.96( 11.67%)g 5.86( 34.97%) 275. (0.00000) RY (51) C 3 s( 1.68%)p 0.44( 0.73%)d 7.23( 12.12%) f39.68( 66.49%)g11.32( 18.98%) 276. (0.00000) RY (52) C 3 s( 13.50%)p 0.20( 2.67%)d 0.67( 9.01%) f 4.46( 60.15%)g 1.09( 14.67%) 277. (0.00201) RY ( 1) C 4 s( 2.56%)p29.64( 75.88%)d 8.05( 20.60%) f 0.32( 0.82%)g 0.06( 0.14%) 0.0000 0.0089 0.1527 0.0417 0.0178 -0.0118 0.0005 0.0031 0.4707 0.0546 0.0163 -0.0194 0.2628 -0.0524 0.0030 -0.0125 0.6765 -0.0614 -0.0104 0.0125 -0.0876 -0.0010 -0.1510 0.2622 -0.0068 0.1462 0.0608 0.0274 0.1849 -0.1729 0.0134 -0.0391 0.1208 0.0189 0.0231 -0.0124 -0.0115 -0.0218 -0.0344 -0.0164 -0.0041 -0.0025 -0.0684 0.0152 0.0137 -0.0092 0.0139 -0.0002 -0.0121 0.0230 0.0011 -0.0035 0.0200 -0.0176 -0.0062 0.0009 -0.0020 278. (0.00153) RY ( 2) C 4 s( 0.50%)p99.99( 83.03%)d25.72( 12.77%) f 7.19( 3.57%)g 0.26( 0.13%) 0.0000 0.0054 0.0549 -0.0432 -0.0057 -0.0051 -0.0004 -0.0343 -0.4528 -0.2523 -0.0443 -0.0249 -0.4475 0.1305 -0.0244 0.0075 0.5671 0.1331 0.0261 -0.0300 0.2181 0.0122 0.0153 0.0559 0.0194 -0.2291 -0.0875 -0.0334 0.0357 -0.0583 0.0191 0.0162 0.0920 -0.0200 -0.1171 0.0045 -0.0278 -0.0005 -0.0112 0.0294 0.0745 -0.0303 0.0661 -0.0338 -0.0685 0.0308 -0.0513 0.0008 0.0106 0.0211 -0.0003 -0.0015 -0.0259 0.0025 0.0057 -0.0032 -0.0013 279. (0.00132) RY ( 3) C 4 s( 0.27%)p99.99( 80.24%)d55.55( 15.14%) f15.46( 4.22%)g 0.45( 0.12%) 0.0000 0.0012 0.0184 0.0484 0.0053 0.0041 0.0004 -0.0315 -0.6875 0.0356 0.0348 0.0118 0.5362 -0.1394 0.0224 0.0164 0.1322 0.0283 -0.0103 0.0089 -0.2083 0.0009 -0.0922 0.0849 -0.0060 0.2717 0.0693 0.0355 -0.0209 0.0445 -0.0102 -0.0082 -0.0986 0.0027 -0.0124 0.0184 0.0741 -0.0085 0.0095 -0.0321 0.1174 -0.0253 -0.0784 0.0345 -0.0942 0.0229 0.0619 -0.0029 -0.0042 -0.0126 0.0045 -0.0055 0.0276 -0.0092 -0.0119 0.0022 0.0044 280. (0.00061) RY ( 4) C 4 s( 1.43%)p31.00( 44.40%)d36.21( 51.87%) f 1.51( 2.16%)g 0.09( 0.13%) 0.0000 0.0039 0.1180 0.0184 0.0076 0.0001 0.0010 0.0091 0.0504 -0.4811 -0.1130 -0.0229 0.4115 0.0839 0.0035 0.0023 -0.1261 0.0550 0.0361 0.2115 0.5540 0.0369 0.0703 -0.1626 0.0420 0.1200 -0.2334 -0.0132 0.1424 -0.1368 0.0318 -0.0690 0.1340 -0.0276 0.0053 -0.0181 0.0288 0.0132 -0.0240 0.0477 0.0395 -0.0041 0.0260 -0.0632 0.0537 0.0125 0.0671 -0.0603 0.0083 -0.0059 0.0108 -0.0121 -0.0054 0.0033 0.0123 0.0069 -0.0262 281. (0.00035) RY ( 5) C 4 s( 59.99%)p 0.17( 10.49%)d 0.43( 25.78%) f 0.06( 3.49%)g 0.00( 0.25%) 0.0000 -0.0135 0.7476 -0.2016 -0.0073 -0.0117 -0.0003 0.0060 -0.0766 0.0118 0.0442 -0.0031 -0.2187 0.1402 -0.0373 0.0106 -0.1327 -0.0976 -0.0278 0.0740 -0.1858 -0.0143 0.0856 0.0155 -0.0266 0.3667 -0.1442 -0.0020 0.1282 -0.0582 0.0225 0.1815 -0.0236 0.0140 0.0804 -0.0139 -0.1426 0.0254 0.0371 -0.0085 0.0244 0.0027 0.0326 0.0116 0.0485 -0.0125 -0.0279 0.0274 0.0032 0.0229 -0.0032 0.0254 -0.0198 0.0153 0.0131 -0.0053 0.0219 282. (0.00023) RY ( 6) C 4 s( 0.12%)p99.99( 12.90%)d99.99( 16.22%) f99.99( 68.30%)g20.94( 2.47%) 0.0000 -0.0033 0.0337 0.0038 -0.0016 -0.0036 -0.0008 0.0171 0.1964 -0.1307 -0.2400 0.0031 -0.0582 0.0002 -0.0215 -0.0040 -0.0773 -0.0126 0.0735 0.0172 -0.0515 -0.0046 -0.0086 0.1832 0.0558 0.0881 0.0068 0.0020 -0.0105 0.1530 0.0447 0.0683 -0.2854 -0.0551 -0.5506 0.1692 0.1806 -0.0496 -0.0072 0.0016 0.5177 -0.1505 -0.0081 0.0053 -0.1502 0.0504 0.0130 -0.0040 0.1207 -0.0011 0.0182 -0.0928 -0.0049 -0.0040 -0.0235 0.0186 0.0149 283. (0.00017) RY ( 7) C 4 s( 9.16%)p 4.45( 40.73%)d 4.68( 42.87%) f 0.69( 6.35%)g 0.10( 0.90%) 0.0000 0.0076 0.2357 -0.1872 0.0155 0.0264 0.0015 -0.0046 -0.0637 0.4516 -0.0611 -0.0244 0.1965 0.1214 0.0327 -0.0086 -0.2054 0.2947 0.1073 -0.1387 0.1801 0.0106 -0.2707 0.3042 0.0145 -0.3697 -0.1194 -0.0055 0.1171 -0.1228 -0.0027 -0.0219 0.1750 -0.0065 -0.1070 0.0082 0.1156 -0.0542 0.0490 0.0195 -0.0013 -0.0260 0.1651 -0.0471 -0.0515 0.0076 -0.0042 -0.0001 0.0271 0.0680 -0.0024 -0.0287 -0.0313 -0.0409 -0.0043 0.0050 -0.0099 284. (0.00010) RY ( 8) C 4 s( 0.97%)p36.13( 34.91%)d59.58( 57.57%) f 6.33( 6.11%)g 0.46( 0.44%) 0.0000 0.0023 0.0575 0.0387 -0.0553 -0.0420 -0.0047 -0.0072 0.0148 0.4456 -0.0828 0.0252 -0.1389 -0.3029 -0.0360 -0.0018 0.1358 0.1095 0.0030 0.2561 0.3352 0.0158 0.0011 -0.0616 -0.0239 0.2698 -0.2298 0.0155 -0.4777 0.1365 -0.0371 -0.0593 0.1077 -0.0632 0.0142 0.0000 -0.0280 0.0250 -0.1194 0.0400 0.1153 -0.0319 -0.0917 -0.0312 0.0791 -0.0117 0.1085 -0.0424 0.0364 -0.0148 0.0254 -0.0167 0.0154 0.0233 -0.0016 -0.0259 -0.0222 285. (0.00008) RY ( 9) C 4 s( 8.43%)p 2.03( 17.12%)d 7.83( 66.04%) f 0.90( 7.61%)g 0.09( 0.80%) 286. (0.00005) RY (10) C 4 s( 10.28%)p 4.29( 44.13%)d 3.20( 32.93%) f 1.18( 12.11%)g 0.05( 0.55%) 287. (0.00003) RY (11) C 4 s( 3.84%)p 9.84( 37.79%)d 8.63( 33.12%) f 6.18( 23.73%)g 0.40( 1.52%) 288. (0.00002) RY (12) C 4 s( 4.87%)p 3.03( 14.74%)d11.93( 58.11%) f 3.97( 19.32%)g 0.61( 2.96%) 289. (0.00002) RY (13) C 4 s( 10.26%)p 3.54( 36.30%)d 4.20( 43.14%) f 0.94( 9.63%)g 0.07( 0.67%) 290. (0.00001) RY (14) C 4 s( 3.52%)p 3.63( 12.78%)d15.52( 54.66%) f 7.52( 26.51%)g 0.72( 2.54%) 291. (0.00001) RY (15) C 4 s( 8.73%)p 0.66( 5.73%)d 4.30( 37.49%) f 3.97( 34.60%)g 1.54( 13.45%) 292. (0.00000) RY (16) C 4 s( 5.33%)p 2.74( 14.62%)d 8.90( 47.46%) f 5.43( 28.97%)g 0.68( 3.62%) 293. (0.00000) RY (17) C 4 s( 16.55%)p 0.74( 12.29%)d 3.07( 50.80%) f 1.09( 18.05%)g 0.14( 2.31%) 294. (0.00001) RY (18) C 4 s( 8.02%)p 1.06( 8.49%)d 2.86( 22.94%) f 5.71( 45.84%)g 1.83( 14.71%) 295. (0.00000) RY (19) C 4 s( 0.75%)p 8.23( 6.16%)d17.70( 13.26%) f29.75( 22.28%)g76.82( 57.54%) 296. (0.00000) RY (20) C 4 s( 2.03%)p 1.12( 2.26%)d21.35( 43.32%) f 6.99( 14.17%)g18.84( 38.21%) 297. (0.00000) RY (21) C 4 s( 5.10%)p 0.47( 2.38%)d 1.78( 9.11%) f 4.15( 21.17%)g12.20( 62.25%) 298. (0.00000) RY (22) C 4 s( 13.65%)p 0.39( 5.36%)d 0.98( 13.41%) f 1.85( 25.22%)g 3.10( 42.36%) 299. (0.00000) RY (23) C 4 s( 1.68%)p 4.93( 8.28%)d18.15( 30.52%) f17.47( 29.36%)g17.94( 30.15%) 300. (0.00000) RY (24) C 4 s( 40.48%)p 0.11( 4.64%)d 0.64( 25.78%) f 0.42( 16.96%)g 0.30( 12.14%) 301. (0.00000) RY (25) C 4 s( 11.95%)p 0.66( 7.91%)d 3.13( 37.36%) f 2.18( 26.09%)g 1.40( 16.69%) 302. (0.00000) RY (26) C 4 s( 16.98%)p 0.83( 14.07%)d 1.41( 23.97%) f 1.94( 32.91%)g 0.71( 12.07%) 303. (0.00000) RY (27) C 4 s( 9.98%)p 1.55( 15.45%)d 2.86( 28.53%) f 2.48( 24.72%)g 2.14( 21.32%) 304. (0.00000) RY (28) C 4 s( 2.55%)p14.28( 36.39%)d15.81( 40.31%) f 6.14( 15.65%)g 2.00( 5.11%) 305. (0.00000) RY (29) C 4 s( 0.45%)p58.10( 25.91%)d61.96( 27.63%) f73.30( 32.69%)g29.87( 13.32%) 306. (0.00000) RY (30) C 4 s( 10.10%)p 2.28( 22.98%)d 3.97( 40.09%) f 1.58( 15.94%)g 1.08( 10.89%) 307. (0.00000) RY (31) C 4 s( 1.85%)p11.61( 21.52%)d 8.41( 15.59%) f30.07( 55.71%)g 2.88( 5.34%) 308. (0.00000) RY (32) C 4 s( 7.49%)p 3.12( 23.36%)d 3.77( 28.25%) f 4.84( 36.29%)g 0.61( 4.61%) 309. (0.00000) RY (33) C 4 s( 1.50%)p12.26( 18.41%)d15.00( 22.54%) f28.30( 42.51%)g10.01( 15.04%) 310. (0.00000) RY (34) C 4 s( 6.95%)p 4.03( 27.97%)d 1.72( 11.96%) f 6.44( 44.76%)g 1.20( 8.36%) 311. (0.00000) RY (35) C 4 s( 1.21%)p16.97( 20.54%)d28.00( 33.89%) f33.55( 40.60%)g 3.11( 3.76%) 312. (0.00000) RY (36) C 4 s( 19.26%)p 0.61( 11.80%)d 2.22( 42.80%) f 1.22( 23.45%)g 0.14( 2.69%) 313. (0.00000) RY (37) C 4 s( 16.16%)p 0.76( 12.35%)d 1.66( 26.84%) f 2.66( 43.02%)g 0.10( 1.63%) 314. (0.00000) RY (38) C 4 s( 10.26%)p 1.21( 12.39%)d 5.88( 60.28%) f 1.60( 16.41%)g 0.06( 0.66%) 315. (0.00000) RY (39) C 4 s( 74.62%)p 0.00( 0.35%)d 0.04( 3.35%) f 0.17( 12.42%)g 0.12( 9.25%) 316. (0.00000) RY (40) C 4 s( 8.59%)p 0.07( 0.56%)d 0.56( 4.83%) f 3.91( 33.54%)g 6.11( 52.48%) 317. (0.00000) RY (41) C 4 s( 8.90%)p 0.06( 0.56%)d 0.51( 4.53%) f 3.80( 33.82%)g 5.86( 52.18%) 318. (0.00000) RY (42) C 4 s( 4.37%)p 0.21( 0.92%)d 6.51( 28.49%) f11.60( 50.75%)g 3.53( 15.46%) 319. (0.00000) RY (43) C 4 s( 0.76%)p 0.53( 0.41%)d18.73( 14.31%) f47.61( 36.39%)g62.98( 48.13%) 320. (0.00000) RY (44) C 4 s( 2.04%)p 0.51( 1.05%)d11.26( 23.01%) f17.47( 35.70%)g18.69( 38.20%) 321. (0.00000) RY (45) C 4 s( 2.11%)p 0.38( 0.81%)d 9.45( 19.95%) f13.06( 27.57%)g23.47( 49.56%) 322. (0.00000) RY (46) C 4 s( 13.64%)p 0.07( 0.97%)d 1.65( 22.49%) f 3.77( 51.45%)g 0.84( 11.44%) 323. (0.00000) RY (47) C 4 s( 1.23%)p 0.63( 0.77%)d 9.19( 11.36%) f27.18( 33.56%)g42.98( 53.08%) 324. (0.00000) RY (48) C 4 s( 2.17%)p 0.32( 0.70%)d14.71( 31.99%) f17.21( 37.44%)g12.73( 27.69%) 325. (0.00000) RY (49) C 4 s( 5.11%)p 0.39( 1.98%)d 4.80( 24.53%) f 7.69( 39.24%)g 5.71( 29.14%) 326. (0.00000) RY (50) C 4 s( 38.10%)p 0.04( 1.46%)d 0.42( 15.89%) f 0.79( 30.19%)g 0.38( 14.37%) 327. (0.00000) RY (51) C 4 s( 1.21%)p 0.95( 1.15%)d15.10( 18.22%) f25.42( 30.69%)g40.37( 48.73%) 328. (0.00000) RY (52) C 4 s( 2.07%)p 1.16( 2.40%)d 5.51( 11.41%) f22.07( 45.70%)g18.55( 38.42%) 329. (0.00201) RY ( 1) C 5 s( 3.42%)p22.16( 75.85%)d 5.87( 20.11%) f 0.14( 0.47%)g 0.04( 0.15%) 0.0000 0.0114 0.1835 0.0119 0.0156 -0.0076 -0.0005 -0.0138 0.8643 -0.0417 -0.0034 -0.0323 0.0592 -0.0164 0.0061 0.0080 -0.0673 0.0043 -0.0010 0.0760 -0.0237 0.0144 0.0299 -0.0678 -0.0031 0.0656 -0.0720 0.0038 0.0292 0.1016 0.0220 0.2445 -0.3287 0.0071 -0.0108 -0.0037 0.0172 0.0170 0.0289 -0.0050 0.0055 0.0060 0.0126 -0.0014 -0.0191 -0.0215 -0.0455 0.0035 0.0245 0.0147 0.0066 -0.0217 -0.0035 -0.0020 -0.0095 -0.0042 0.0030 330. (0.00146) RY ( 2) C 5 s( 0.05%)p99.99( 94.34%)d21.70( 1.02%) f97.37( 4.58%)g 0.43( 0.02%) 0.0000 0.0010 0.0207 0.0060 0.0014 0.0003 -0.0001 -0.0055 -0.0758 0.0007 0.0017 -0.0100 -0.1224 -0.0189 0.0012 -0.0505 -0.9426 -0.1760 -0.0127 -0.0104 0.0187 0.0035 -0.0390 0.0622 0.0184 -0.0221 0.0385 0.0046 0.0089 -0.0006 0.0015 0.0245 -0.0363 -0.0023 -0.1845 0.0501 -0.0511 0.0134 -0.0736 0.0231 0.0169 0.0050 -0.0070 -0.0040 0.0064 0.0012 0.0053 -0.0003 -0.0036 0.0106 0.0016 0.0019 0.0018 -0.0080 0.0012 -0.0008 -0.0011 331. (0.00072) RY ( 3) C 5 s( 7.41%)p10.84( 80.30%)d 1.10( 8.18%) f 0.52( 3.84%)g 0.04( 0.27%) 0.0000 -0.0151 0.1959 -0.1876 -0.0130 -0.0101 0.0016 0.0015 0.0548 -0.1080 -0.0172 0.0075 -0.8518 0.2082 -0.0550 -0.0022 0.1165 -0.0495 0.0046 -0.2523 -0.0840 -0.0349 0.0329 0.0127 0.0091 0.0119 0.0156 0.0113 0.0439 0.0106 0.0026 -0.0698 -0.0316 0.0118 0.0147 -0.0095 0.0965 -0.0001 -0.1153 0.0265 0.0564 -0.0124 -0.0127 -0.0011 -0.1025 0.0062 0.0139 0.0241 0.0064 -0.0099 -0.0102 -0.0071 0.0373 -0.0091 0.0101 0.0079 -0.0268 332. (0.00040) RY ( 4) C 5 s( 2.63%)p14.81( 38.99%)d20.36( 53.62%) f 1.71( 4.51%)g 0.09( 0.24%) 0.0000 -0.0018 0.1592 -0.0312 -0.0001 -0.0014 -0.0003 0.0036 -0.0608 -0.0192 0.0103 -0.0038 0.0055 0.1421 0.0254 -0.0079 -0.1151 0.5745 0.1465 0.0140 -0.0697 -0.0148 -0.1723 0.1694 -0.0602 -0.2097 -0.6107 -0.0482 0.0970 0.0861 0.0085 0.1209 0.1310 0.0319 0.0005 -0.0002 0.0695 -0.0379 -0.0242 -0.0131 -0.1226 0.0123 -0.0929 0.1077 0.0026 -0.0186 -0.0443 0.0183 -0.0133 -0.0177 0.0260 -0.0206 0.0030 0.0022 0.0283 -0.0043 0.0031 333. (0.00037) RY ( 5) C 5 s( 11.97%)p 4.67( 55.88%)d 2.54( 30.39%) f 0.13( 1.57%)g 0.02( 0.20%) 0.0000 -0.0057 0.3450 -0.0222 -0.0080 -0.0090 -0.0002 0.0211 -0.1678 -0.6366 -0.0623 -0.0063 0.1619 0.2805 0.0035 0.0016 0.0181 -0.1249 -0.0129 0.3108 -0.0830 0.0118 -0.0208 -0.0020 0.0085 0.1240 0.0763 0.0255 0.3355 -0.2275 0.0470 0.1042 -0.0197 0.0120 -0.0220 0.0038 0.0612 -0.0175 0.0339 -0.0042 0.0375 -0.0030 0.0501 -0.0275 -0.0039 0.0099 -0.0719 -0.0017 -0.0188 -0.0176 -0.0065 0.0349 0.0015 0.0050 0.0051 -0.0016 0.0009 334. (0.00026) RY ( 6) C 5 s( 48.72%)p 0.75( 36.35%)d 0.16( 7.79%) f 0.14( 6.70%)g 0.01( 0.45%) 0.0000 -0.0046 0.6872 -0.1220 0.0087 0.0056 -0.0029 -0.0044 -0.1473 0.5704 0.0572 -0.0106 0.0695 -0.0219 0.0284 0.0008 -0.0022 -0.0828 0.0110 0.1664 -0.0797 -0.0208 -0.0350 -0.0945 0.0026 0.0540 0.0741 0.0068 0.1123 0.0149 -0.0401 -0.0661 -0.0770 0.0078 0.1570 -0.0355 0.0421 -0.0298 -0.0428 0.0092 -0.0529 0.0070 0.0409 -0.0212 0.1343 0.0000 0.1158 -0.0068 0.0298 -0.0153 -0.0092 -0.0343 0.0191 -0.0113 -0.0032 0.0395 0.0047 335. (0.00024) RY ( 7) C 5 s( 1.77%)p 7.07( 12.54%)d10.09( 17.91%) f37.05( 65.74%)g 1.15( 2.04%) 0.0000 -0.0017 0.1307 -0.0253 0.0027 -0.0021 -0.0007 0.0019 0.0043 0.0683 -0.0146 0.0045 0.0255 -0.0712 -0.0288 0.0172 0.2081 -0.1268 -0.2330 0.0905 0.0108 0.0122 -0.0721 0.3481 0.0820 0.0164 -0.1703 -0.0174 -0.0079 0.0793 -0.0004 -0.0389 -0.0007 -0.0110 -0.6203 0.1846 -0.1829 0.0477 -0.1365 0.0432 0.3735 -0.1042 -0.1236 0.0447 0.0960 -0.0205 0.0693 -0.0165 -0.0450 0.1165 0.0047 0.0237 0.0290 -0.0563 0.0120 -0.0005 -0.0062 336. (0.00015) RY ( 8) C 5 s( 0.62%)p57.41( 35.78%)d84.72( 52.80%) f16.29( 10.15%)g 1.04( 0.65%) 0.0000 0.0084 -0.0468 0.0245 0.0041 0.0579 -0.0016 -0.0092 -0.1299 0.1094 0.0647 -0.0285 0.2438 0.5039 0.0059 0.0053 0.0021 0.0603 -0.0827 -0.5404 0.0713 -0.0440 0.0435 0.0035 0.0190 0.1886 0.0439 0.0020 0.0738 -0.0399 0.0379 0.3339 -0.2627 -0.0093 0.0271 0.0045 -0.1253 0.0434 -0.1878 0.0382 0.0542 -0.0234 -0.0623 -0.0005 0.0284 -0.0145 0.1947 -0.0129 0.0395 0.0357 0.0044 -0.0034 0.0459 -0.0268 0.0010 -0.0174 -0.0221 337. (0.00012) RY ( 9) C 5 s( 0.38%)p99.99( 39.18%)d99.99( 55.03%) f11.34( 4.29%)g 2.95( 1.12%) 0.0000 -0.0017 0.0527 -0.0248 0.0041 -0.0193 0.0005 0.0026 0.0056 0.0117 -0.0395 0.0051 -0.0516 -0.0224 -0.0249 -0.0092 -0.0173 0.6113 -0.1103 0.0699 0.0730 0.0182 -0.2353 0.0115 0.0440 -0.2111 0.6382 -0.0355 -0.0131 -0.0888 0.0034 0.0324 -0.1410 0.0150 -0.1733 0.0464 0.0115 0.0182 -0.0053 0.0110 0.0260 -0.0250 -0.0120 -0.0640 -0.0130 0.0150 -0.0642 -0.0092 -0.0217 0.0674 -0.0303 0.0482 -0.0093 -0.0501 -0.0081 -0.0057 -0.0143 338. (0.00006) RY (10) C 5 s( 5.65%)p 3.65( 20.62%)d11.23( 63.43%) f 1.58( 8.95%)g 0.24( 1.36%) 339. (0.00004) RY (11) C 5 s( 22.78%)p 1.32( 30.16%)d 1.43( 32.64%) f 0.61( 13.97%)g 0.02( 0.45%) 340. (0.00003) RY (12) C 5 s( 1.16%)p11.08( 12.80%)d42.54( 49.14%) f31.04( 35.86%)g 0.91( 1.05%) 341. (0.00002) RY (13) C 5 s( 8.42%)p 1.34( 11.30%)d 6.11( 51.49%) f 3.07( 25.87%)g 0.35( 2.92%) 342. (0.00001) RY (14) C 5 s( 8.17%)p 1.30( 10.65%)d 7.30( 59.64%) f 1.95( 15.90%)g 0.69( 5.64%) 343. (0.00001) RY (15) C 5 s( 0.54%)p 4.77( 2.59%)d78.57( 42.67%) f94.48( 51.32%)g 5.29( 2.87%) 344. (0.00001) RY (16) C 5 s( 1.42%)p12.61( 17.86%)d38.71( 54.81%) f16.97( 24.03%)g 1.33( 1.89%) 345. (0.00001) RY (17) C 5 s( 5.98%)p 0.94( 5.59%)d 7.27( 43.43%) f 5.53( 33.04%)g 2.00( 11.96%) 346. (0.00000) RY (18) C 5 s( 3.00%)p 7.04( 21.12%)d 5.54( 16.60%) f15.83( 47.46%)g 3.95( 11.83%) 347. (0.00000) RY (19) C 5 s( 12.98%)p 1.15( 14.97%)d 3.15( 40.94%) f 2.31( 30.04%)g 0.08( 1.07%) 348. (0.00000) RY (20) C 5 s( 54.52%)p 0.11( 5.79%)d 0.48( 25.98%) f 0.22( 12.15%)g 0.03( 1.55%) 349. (0.00000) RY (21) C 5 s( 2.09%)p 1.68( 3.51%)d10.69( 22.34%) f18.83( 39.34%)g15.66( 32.73%) 350. (0.00000) RY (22) C 5 s( 4.76%)p 1.46( 6.96%)d 4.17( 19.84%) f 5.08( 24.20%)g 9.29( 44.24%) 351. (0.00000) RY (23) C 5 s( 18.99%)p 0.07( 1.28%)d 1.67( 31.76%) f 1.48( 28.14%)g 1.04( 19.82%) 352. (0.00000) RY (24) C 5 s( 1.13%)p 0.49( 0.55%)d24.43( 27.72%) f25.42( 28.85%)g36.78( 41.74%) 353. (0.00000) RY (25) C 5 s( 10.84%)p 0.45( 4.83%)d 0.88( 9.51%) f 2.05( 22.28%)g 4.85( 52.54%) 354. (0.00000) RY (26) C 5 s( 2.03%)p 3.10( 6.30%)d17.18( 34.84%) f23.07( 46.78%)g 4.96( 10.06%) 355. (0.00000) RY (27) C 5 s( 2.73%)p 3.47( 9.47%)d13.64( 37.26%) f 9.35( 25.52%)g 9.16( 25.02%) 356. (0.00000) RY (28) C 5 s( 11.33%)p 2.21( 25.06%)d 1.95( 22.06%) f 2.39( 27.11%)g 1.27( 14.43%) 357. (0.00000) RY (29) C 5 s( 6.04%)p 2.36( 14.28%)d 3.97( 24.00%) f 7.00( 42.32%)g 2.21( 13.36%) 358. (0.00000) RY (30) C 5 s( 11.88%)p 0.75( 8.90%)d 2.39( 28.44%) f 1.90( 22.56%)g 2.37( 28.21%) 359. (0.00000) RY (31) C 5 s( 29.53%)p 0.31( 9.24%)d 0.71( 20.95%) f 1.10( 32.49%)g 0.26( 7.79%) 360. (0.00000) RY (32) C 5 s( 6.38%)p 0.99( 6.34%)d 7.26( 46.28%) f 5.65( 36.06%)g 0.78( 4.95%) 361. (0.00000) RY (33) C 5 s( 1.48%)p17.89( 26.51%)d27.69( 41.02%) f16.62( 24.61%)g 4.31( 6.38%) 362. (0.00000) RY (34) C 5 s( 1.75%)p29.70( 51.88%)d10.89( 19.03%) f13.03( 22.76%)g 2.62( 4.58%) 363. (0.00000) RY (35) C 5 s( 6.87%)p 3.91( 26.84%)d 5.78( 39.68%) f 2.96( 20.34%)g 0.91( 6.28%) 364. (0.00000) RY (36) C 5 s( 2.60%)p 6.84( 17.80%)d14.53( 37.78%) f14.64( 38.08%)g 1.44( 3.74%) 365. (0.00000) RY (37) C 5 s( 1.86%)p15.30( 28.49%)d21.51( 40.06%) f13.98( 26.04%)g 1.90( 3.54%) 366. (0.00000) RY (38) C 5 s( 9.24%)p 1.72( 15.86%)d 6.12( 56.54%) f 1.09( 10.11%)g 0.89( 8.25%) 367. (0.00000) RY (39) C 5 s( 82.45%)p 0.00( 0.10%)d 0.07( 5.70%) f 0.11( 8.84%)g 0.04( 2.91%) 368. (0.00000) RY (40) C 5 s( 1.39%)p 0.31( 0.44%)d10.98( 15.30%) f19.44( 27.09%)g40.03( 55.79%) 369. (0.00000) RY (41) C 5 s( 7.37%)p 0.22( 1.65%)d 0.88( 6.50%) f 3.63( 26.75%)g 7.83( 57.74%) 370. (0.00000) RY (42) C 5 s( 14.28%)p 0.04( 0.54%)d 0.50( 7.20%) f 2.57( 36.65%)g 2.90( 41.34%) 371. (0.00000) RY (43) C 5 s( 7.43%)p 0.00( 0.01%)d 1.34( 9.99%) f 7.47( 55.48%)g 3.65( 27.09%) 372. (0.00000) RY (44) C 5 s( 2.02%)p 0.69( 1.38%)d13.91( 28.10%) f19.77( 39.92%)g14.15( 28.57%) 373. (0.00000) RY (45) C 5 s( 4.17%)p 0.10( 0.41%)d 1.38( 5.73%) f11.19( 46.63%)g10.34( 43.07%) 374. (0.00000) RY (46) C 5 s( 5.91%)p 0.50( 2.93%)d 3.33( 19.69%) f 7.09( 41.89%)g 5.01( 29.59%) 375. (0.00000) RY (47) C 5 s( 14.87%)p 0.02( 0.36%)d 2.01( 29.90%) f 1.74( 25.83%)g 1.95( 29.05%) 376. (0.00000) RY (48) C 5 s( 11.56%)p 0.02( 0.24%)d 0.28( 3.20%) f 4.58( 52.94%)g 2.77( 32.06%) 377. (0.00000) RY (49) C 5 s( 6.41%)p 0.18( 1.16%)d 3.54( 22.68%) f 5.72( 36.71%)g 5.15( 33.04%) 378. (0.00000) RY (50) C 5 s( 4.16%)p 0.59( 2.43%)d 4.91( 20.41%) f 8.09( 33.64%)g 9.47( 39.36%) 379. (0.00000) RY (51) C 5 s( 2.25%)p 0.88( 1.99%)d10.87( 24.52%) f 5.10( 11.49%)g26.50( 59.75%) 380. (0.00000) RY (52) C 5 s( 2.79%)p 0.09( 0.26%)d 4.94( 13.80%) f13.59( 37.94%)g16.20( 45.21%) 381. (0.00206) RY ( 1) C 6 s( 1.77%)p45.29( 80.00%)d10.03( 17.73%) f 0.21( 0.36%)g 0.08( 0.14%) 0.0000 0.0113 0.1286 0.0251 0.0177 -0.0068 -0.0006 0.0093 0.6200 -0.0078 -0.0065 0.0346 -0.6297 0.0427 -0.0016 -0.0075 0.1249 -0.0108 0.0007 -0.0243 -0.0948 -0.0196 -0.0167 0.0465 0.0024 0.0636 -0.1076 -0.0014 -0.0492 0.0233 -0.0133 0.2187 -0.3133 0.0086 0.0106 0.0062 -0.0114 0.0142 -0.0270 -0.0071 0.0134 -0.0030 0.0059 0.0087 0.0385 0.0102 -0.0107 0.0194 0.0192 -0.0119 0.0190 0.0040 0.0192 -0.0099 0.0022 0.0044 0.0046 382. (0.00148) RY ( 2) C 6 s( 0.03%)p99.99( 94.67%)d24.12( 0.77%) f99.99( 4.51%)g 0.48( 0.02%) 0.0000 0.0004 0.0177 -0.0026 0.0005 -0.0004 0.0000 -0.0016 -0.0367 -0.0111 -0.0012 0.0105 0.1619 0.0321 0.0045 0.0496 0.9404 0.1748 0.0227 -0.0018 -0.0082 -0.0033 0.0297 -0.0242 -0.0082 -0.0153 0.0619 0.0205 -0.0026 -0.0107 -0.0041 0.0159 -0.0344 -0.0068 0.1789 -0.0503 -0.0280 0.0042 0.0922 -0.0274 0.0001 -0.0058 0.0214 0.0054 -0.0047 -0.0001 -0.0009 -0.0017 -0.0054 -0.0043 0.0073 -0.0024 -0.0042 -0.0035 -0.0038 0.0013 -0.0008 383. (0.00084) RY ( 3) C 6 s( 2.22%)p31.64( 70.35%)d11.02( 24.51%) f 1.26( 2.80%)g 0.05( 0.12%) 0.0000 0.0078 0.1392 0.0492 0.0188 0.0033 -0.0023 0.0100 -0.6693 -0.0089 -0.0073 -0.0003 -0.4879 0.1113 -0.0224 -0.0003 0.0540 -0.0386 0.0022 -0.1800 0.0524 -0.0167 0.0129 -0.0208 0.0030 -0.0350 -0.0247 -0.0072 -0.4214 0.0226 -0.0394 0.1561 -0.0558 0.0050 0.0165 -0.0104 -0.1025 0.0153 -0.0616 0.0265 0.0455 -0.0048 -0.0382 0.0068 -0.0236 0.0171 -0.0889 -0.0056 -0.0020 0.0087 0.0075 0.0205 -0.0113 -0.0015 0.0117 0.0036 0.0183 384. (0.00047) RY ( 4) C 6 s( 55.15%)p 0.34( 18.60%)d 0.42( 23.42%) f 0.05( 2.52%)g 0.01( 0.31%) 0.0000 -0.0146 0.6895 -0.2755 -0.0087 -0.0054 -0.0001 0.0093 0.0758 -0.1951 0.0153 -0.0078 0.3284 -0.1627 0.0417 0.0019 -0.0579 -0.0427 -0.0261 -0.3341 0.0558 -0.0128 0.0690 -0.0744 0.0088 -0.0161 -0.0745 0.0082 -0.1597 0.1930 0.0197 0.1136 -0.1602 0.0369 0.0173 0.0005 0.1456 -0.0255 -0.0267 0.0031 -0.0134 0.0119 0.0356 -0.0076 -0.0152 -0.0057 0.0143 0.0138 0.0116 -0.0027 -0.0105 -0.0392 0.0060 0.0104 -0.0215 -0.0135 -0.0220 385. (0.00040) RY ( 5) C 6 s( 0.93%)p35.62( 32.95%)d67.62( 62.55%) f 3.60( 3.33%)g 0.26( 0.24%) 0.0000 -0.0015 0.0903 -0.0330 0.0012 0.0001 -0.0002 0.0019 -0.0084 -0.0395 -0.0063 -0.0018 0.0068 0.0822 0.0328 -0.0069 -0.1136 0.5323 0.1538 -0.0514 0.1163 -0.0108 0.0210 0.6300 -0.0278 0.2232 0.3612 0.0689 -0.0631 -0.0821 -0.0099 -0.0616 -0.1053 -0.0205 -0.0468 0.0162 -0.0018 -0.0084 0.0095 -0.0297 0.0814 -0.1105 0.0939 -0.0107 -0.0321 0.0089 0.0170 -0.0255 0.0097 -0.0269 -0.0194 0.0003 -0.0193 -0.0250 0.0095 -0.0030 -0.0100 386. (0.00023) RY ( 6) C 6 s( 0.00%)p 1.00( 12.38%)d 1.10( 13.65%) f 5.77( 71.47%)g 0.20( 2.50%) 0.0000 -0.0007 0.0004 0.0016 0.0005 -0.0011 0.0000 -0.0002 0.0200 -0.0105 -0.0128 -0.0053 -0.0255 0.0192 0.0536 -0.0168 -0.2125 0.0362 0.2692 -0.0034 -0.0548 -0.0172 -0.0271 -0.2336 -0.0799 -0.0908 0.2257 0.0422 -0.0151 -0.0246 -0.0069 0.0238 -0.0935 -0.0195 0.6328 -0.1875 -0.1794 0.0533 0.2957 -0.0928 -0.1749 0.0395 0.3118 -0.0939 -0.0741 0.0224 -0.0600 0.0131 -0.0706 -0.0818 0.0753 -0.0141 -0.0627 -0.0246 -0.0509 0.0157 -0.0066 387. (0.00016) RY ( 7) C 6 s( 3.99%)p10.03( 40.06%)d11.89( 47.48%) f 1.97( 7.88%)g 0.15( 0.60%) 0.0000 0.0101 0.1439 -0.1295 -0.0174 0.0453 -0.0023 0.0082 -0.3085 0.3109 0.1097 0.0301 -0.1124 -0.4093 -0.0909 -0.0060 -0.0001 0.0778 0.0347 0.1371 -0.1327 0.0128 -0.0106 0.0218 -0.0041 0.2011 -0.1007 0.0093 0.5067 -0.0670 0.0381 0.2650 -0.2323 -0.0018 -0.0706 0.0071 0.0167 0.0025 0.1819 -0.0313 -0.0913 0.0140 -0.0144 0.0009 -0.1423 0.0148 0.1008 0.0035 0.0485 -0.0211 0.0223 -0.0436 0.0136 0.0004 -0.0178 0.0057 -0.0150 388. (0.00008) RY ( 8) C 6 s( 20.29%)p 1.82( 37.03%)d 1.77( 35.97%) f 0.26( 5.27%)g 0.07( 1.44%) 389. (0.00007) RY ( 9) C 6 s( 0.01%)p99.99( 24.61%)d99.99( 52.57%) f99.99( 22.04%)g63.63( 0.77%) 390. (0.00004) RY (10) C 6 s( 3.49%)p 5.36( 18.69%)d19.57( 68.22%) f 2.69( 9.39%)g 0.06( 0.21%) 391. (0.00004) RY (11) C 6 s( 2.15%)p11.17( 24.07%)d29.99( 64.63%) f 4.13( 8.89%)g 0.12( 0.26%) 392. (0.00002) RY (12) C 6 s( 6.84%)p 6.65( 45.49%)d 4.32( 29.50%) f 2.53( 17.28%)g 0.13( 0.89%) 393. (0.00002) RY (13) C 6 s( 18.54%)p 2.04( 37.87%)d 1.47( 27.22%) f 0.84( 15.56%)g 0.04( 0.81%) 394. (0.00001) RY (14) C 6 s( 4.24%)p 1.51( 6.39%)d11.12( 47.16%) f 5.05( 21.40%)g 4.91( 20.80%) 395. (0.00001) RY (15) C 6 s( 19.55%)p 0.68( 13.25%)d 1.05( 20.58%) f 2.02( 39.49%)g 0.36( 7.13%) 396. (0.00001) RY (16) C 6 s( 1.09%)p 9.43( 10.32%)d25.52( 27.92%) f54.45( 59.56%)g 1.01( 1.11%) 397. (0.00000) RY (17) C 6 s( 8.02%)p 0.67( 5.40%)d 1.87( 15.01%) f 3.45( 27.65%)g 5.48( 43.92%) 398. (0.00000) RY (18) C 6 s( 5.75%)p 0.45( 2.58%)d 2.73( 15.69%) f 8.01( 46.01%)g 5.22( 29.98%) 399. (0.00000) RY (19) C 6 s( 1.29%)p 0.94( 1.21%)d37.94( 49.06%) f15.48( 20.01%)g21.98( 28.42%) 400. (0.00000) RY (20) C 6 s( 1.38%)p 4.75( 6.56%)d23.25( 32.10%) f18.56( 25.62%)g24.87( 34.34%) 401. (0.00000) RY (21) C 6 s( 0.51%)p15.89( 8.17%)d53.01( 27.25%) f94.92( 48.79%)g29.72( 15.28%) 402. (0.00000) RY (22) C 6 s( 10.98%)p 0.13( 1.47%)d 1.30( 14.24%) f 2.18( 23.96%)g 4.49( 49.34%) 403. (0.00000) RY (23) C 6 s( 3.27%)p 0.77( 2.52%)d 2.66( 8.70%) f 3.91( 12.80%)g22.23( 72.71%) 404. (0.00000) RY (24) C 6 s( 12.57%)p 1.26( 15.86%)d 1.82( 22.94%) f 2.63( 33.08%)g 1.24( 15.55%) 405. (0.00000) RY (25) C 6 s( 19.56%)p 1.20( 23.54%)d 0.71( 13.81%) f 0.73( 14.35%)g 1.47( 28.74%) 406. (0.00000) RY (26) C 6 s( 15.85%)p 1.20( 19.08%)d 1.71( 27.12%) f 1.65( 26.17%)g 0.74( 11.78%) 407. (0.00000) RY (27) C 6 s( 3.31%)p 1.14( 3.77%)d19.02( 63.02%) f 5.97( 19.79%)g 3.05( 10.10%) 408. (0.00000) RY (28) C 6 s( 11.20%)p 3.47( 38.89%)d 1.79( 20.04%) f 1.87( 20.95%)g 0.80( 8.92%) 409. (0.00000) RY (29) C 6 s( 0.99%)p14.05( 13.92%)d38.69( 38.31%) f45.68( 45.24%)g 1.55( 1.54%) 410. (0.00000) RY (30) C 6 s( 0.40%)p50.23( 20.12%)d85.31( 34.17%) f55.09( 22.06%)g58.05( 23.25%) 411. (0.00000) RY (31) C 6 s( 3.23%)p 7.51( 24.23%)d 8.73( 28.17%) f 9.37( 30.23%)g 4.38( 14.14%) 412. (0.00000) RY (32) C 6 s( 6.62%)p 5.42( 35.90%)d 3.44( 22.78%) f 3.40( 22.49%)g 1.84( 12.20%) 413. (0.00000) RY (33) C 6 s( 8.83%)p 3.38( 29.82%)d 2.10( 18.50%) f 4.35( 38.44%)g 0.50( 4.41%) 414. (0.00000) RY (34) C 6 s( 11.68%)p 1.04( 12.15%)d 2.83( 33.04%) f 3.50( 40.83%)g 0.20( 2.29%) 415. (0.00000) RY (35) C 6 s( 0.76%)p14.12( 10.71%)d77.70( 58.96%) f34.39( 26.10%)g 4.58( 3.47%) 416. (0.00000) RY (36) C 6 s( 7.50%)p 1.87( 14.06%)d 6.90( 51.77%) f 3.18( 23.84%)g 0.38( 2.82%) 417. (0.00000) RY (37) C 6 s( 23.31%)p 0.18( 4.10%)d 1.78( 41.39%) f 1.27( 29.51%)g 0.07( 1.70%) 418. (0.00000) RY (38) C 6 s( 32.66%)p 0.12( 3.94%)d 1.08( 35.17%) f 0.68( 22.12%)g 0.19( 6.11%) 419. (0.00000) RY (39) C 6 s( 0.06%)p99.99( 24.13%)d99.99( 54.64%) f99.99( 20.91%)g 4.46( 0.26%) 420. (0.00000) RY (40) C 6 s( 75.76%)p 0.00( 0.25%)d 0.03( 2.24%) f 0.20( 14.81%)g 0.09( 6.94%) 421. (0.00000) RY (41) C 6 s( 11.63%)p 0.03( 0.32%)d 1.02( 11.92%) f 4.57( 53.18%)g 1.97( 22.96%) 422. (0.00000) RY (42) C 6 s( 22.42%)p 0.02( 0.35%)d 0.44( 9.87%) f 1.45( 32.52%)g 1.55( 34.84%) 423. (0.00000) RY (43) C 6 s( 6.68%)p 0.11( 0.76%)d 1.49( 9.98%) f 4.63( 30.92%)g 7.74( 51.67%) 424. (0.00000) RY (44) C 6 s( 1.42%)p 0.52( 0.74%)d17.80( 25.25%) f23.88( 33.88%)g27.29( 38.71%) 425. (0.00000) RY (45) C 6 s( 4.62%)p 0.12( 0.55%)d 1.64( 7.55%) f 7.47( 34.48%)g11.44( 52.80%) 426. (0.00000) RY (46) C 6 s( 5.41%)p 0.22( 1.18%)d 3.77( 20.38%) f 7.90( 42.70%)g 5.61( 30.33%) 427. (0.00000) RY (47) C 6 s( 1.42%)p 0.34( 0.49%)d 5.05( 7.18%) f49.83( 70.83%)g14.13( 20.09%) 428. (0.00000) RY (48) C 6 s( 2.04%)p 0.72( 1.48%)d 8.77( 17.91%) f22.72( 46.41%)g15.74( 32.16%) 429. (0.00000) RY (49) C 6 s( 4.18%)p 0.32( 1.36%)d 1.12( 4.69%) f11.01( 45.99%)g10.48( 43.78%) 430. (0.00000) RY (50) C 6 s( 8.03%)p 0.05( 0.39%)d 4.20( 33.73%) f 3.30( 26.54%)g 3.90( 31.31%) 431. (0.00000) RY (51) C 6 s( 1.70%)p 0.88( 1.51%)d17.96( 30.60%) f 9.29( 15.82%)g29.56( 50.37%) 432. (0.00000) RY (52) C 6 s( 24.84%)p 0.10( 2.41%)d 1.14( 28.37%) f 0.76( 18.99%)g 1.02( 25.38%) 433. (0.00191) RY ( 1) C 7 s( 3.30%)p22.02( 72.67%)d 6.93( 22.87%) f 0.30( 0.99%)g 0.05( 0.16%) 0.0000 0.0096 0.1784 0.0242 0.0181 -0.0122 0.0005 0.0100 0.1095 0.0873 0.0102 0.0151 -0.4801 -0.0118 -0.0230 0.0110 -0.6849 0.0770 0.0196 -0.1824 0.1648 -0.0140 0.2319 -0.1709 0.0244 -0.0062 0.2542 0.0157 -0.0080 0.0983 0.0000 -0.0085 0.0966 0.0211 -0.0216 0.0110 0.0167 -0.0034 0.0264 0.0299 -0.0818 0.0190 -0.0044 -0.0069 -0.0151 0.0037 0.0085 0.0063 -0.0169 -0.0158 0.0152 -0.0216 -0.0018 -0.0155 -0.0109 0.0020 -0.0006 434. (0.00153) RY ( 2) C 7 s( 0.11%)p99.99( 87.11%)d80.05( 9.01%) f32.53( 3.66%)g 0.92( 0.10%) 0.0000 -0.0054 -0.0134 0.0298 0.0044 0.0030 0.0002 0.0145 0.0934 0.1996 0.0163 -0.0404 -0.6687 -0.0797 -0.0382 0.0113 0.5806 0.1647 0.0332 0.0054 -0.0195 0.0137 0.1424 0.1109 0.0313 0.1408 0.0140 0.0131 -0.0393 0.1743 0.0097 0.0017 -0.0569 0.0227 -0.1103 0.0090 0.0176 0.0200 -0.0396 0.0234 -0.0664 0.0268 -0.0865 0.0329 -0.0788 0.0189 -0.0278 0.0224 -0.0075 0.0124 -0.0139 -0.0248 -0.0002 -0.0028 0.0017 -0.0027 0.0000 435. (0.00125) RY ( 3) C 7 s( 0.55%)p99.99( 78.68%)d30.46( 16.81%) f 6.82( 3.76%)g 0.36( 0.20%) 0.0000 -0.0013 -0.0445 0.0591 0.0049 0.0045 0.0006 -0.0306 -0.8699 0.0995 0.0123 0.0051 0.0421 0.0854 -0.0491 -0.0189 -0.0548 0.0587 0.0285 0.0214 -0.0515 0.0084 0.2368 0.0714 0.0270 0.1624 0.0828 0.0230 -0.0362 0.2281 -0.0023 0.0146 -0.1250 0.0066 0.0101 -0.0150 0.0284 0.0296 -0.0487 0.0267 -0.0975 0.0350 0.1129 -0.0210 0.0023 -0.0116 0.0909 -0.0147 -0.0011 0.0146 -0.0148 -0.0367 0.0058 -0.0106 0.0026 -0.0035 0.0041 436. (0.00059) RY ( 4) C 7 s( 1.73%)p24.76( 42.88%)d30.34( 52.53%) f 1.56( 2.71%)g 0.09( 0.15%) 0.0000 0.0035 0.1258 0.0378 0.0075 0.0006 0.0006 0.0233 -0.2252 -0.3732 -0.0936 0.0104 -0.3191 0.3112 0.1060 -0.0019 0.0805 -0.1032 -0.0487 -0.1398 0.0876 -0.0325 0.0192 -0.1135 -0.0420 0.0834 -0.2737 0.0215 -0.2375 -0.5656 -0.0381 -0.0665 0.1260 -0.0394 0.0648 0.0003 0.0553 -0.0394 0.0092 -0.0470 -0.0210 -0.0495 0.0692 -0.0176 -0.0600 0.0392 0.0121 -0.0518 0.0135 0.0091 0.0089 0.0075 0.0160 0.0069 -0.0109 0.0007 -0.0264 437. (0.00035) RY ( 5) C 7 s( 59.21%)p 0.22( 13.05%)d 0.41( 24.45%) f 0.05( 3.05%)g 0.00( 0.24%) 0.0000 -0.0139 0.7378 -0.2176 -0.0110 -0.0102 -0.0005 0.0055 0.0768 -0.1292 0.0749 -0.0039 0.2500 -0.0221 0.0182 -0.0129 0.1418 0.1196 0.0659 -0.1514 0.0782 -0.0253 0.1670 -0.0723 0.0125 0.3169 -0.0913 -0.0126 -0.0933 0.1799 0.0184 0.1718 -0.0396 0.0139 -0.0630 0.0125 -0.1090 0.0230 0.0852 -0.0087 -0.0264 0.0202 0.0314 0.0017 0.0208 -0.0226 -0.0558 0.0223 -0.0039 -0.0120 -0.0025 0.0277 -0.0230 0.0103 0.0141 0.0008 0.0254 438. (0.00024) RY ( 6) C 7 s( 0.25%)p41.56( 10.32%)d70.57( 17.52%) f99.99( 69.70%)g 8.94( 2.22%) 0.0000 -0.0006 0.0398 -0.0294 -0.0051 -0.0032 -0.0011 0.0130 0.1412 -0.0770 -0.1304 -0.0080 -0.1096 0.0319 0.1695 0.0067 0.0916 -0.0261 -0.0958 0.0020 -0.1418 -0.0426 -0.0025 -0.1049 -0.0282 -0.0344 0.1735 0.0368 0.0651 0.1044 0.0174 0.0771 -0.2906 -0.0542 0.5788 -0.1722 0.0113 -0.0040 -0.0623 0.0241 -0.0489 0.0221 0.5269 -0.1552 0.1176 -0.0374 0.0854 -0.0254 0.1084 -0.0261 0.0344 -0.0034 0.0856 -0.0291 -0.0034 -0.0145 0.0126 439. (0.00014) RY ( 7) C 7 s( 13.04%)p 1.84( 23.94%)d 4.24( 55.26%) f 0.54( 7.09%)g 0.05( 0.67%) 0.0000 0.0077 0.2833 -0.2184 0.0238 0.0422 0.0027 0.0225 -0.2955 -0.0073 -0.0151 0.0270 -0.1110 -0.2027 -0.0536 0.0060 0.2201 -0.2017 -0.0716 -0.2351 0.1552 -0.0022 -0.1863 -0.1653 -0.0223 -0.5458 0.1838 -0.0089 0.2476 0.0264 -0.0063 -0.0662 0.1088 0.0256 0.0154 0.0162 -0.0186 -0.0341 -0.1362 0.0327 0.1753 -0.0211 -0.0935 0.0113 0.0932 -0.0205 0.0030 0.0109 -0.0310 -0.0456 0.0238 0.0393 -0.0086 -0.0280 -0.0254 -0.0063 -0.0038 440. (0.00011) RY ( 8) C 7 s( 0.08%)p99.99( 26.36%)d99.99( 66.83%) f83.92( 6.37%)g 4.84( 0.37%) 0.0000 0.0030 0.0181 -0.0032 0.0148 -0.0139 -0.0002 0.0251 -0.0741 -0.3806 0.0914 0.0194 -0.1791 0.0778 -0.0217 -0.0050 -0.1341 0.1991 0.0873 -0.1922 -0.0592 -0.0404 -0.4157 0.5135 -0.0198 0.0554 0.0594 -0.0339 0.3203 0.0103 0.0650 0.2058 -0.1777 0.0255 0.0280 -0.0112 -0.0936 0.0503 0.1324 -0.0006 -0.0828 0.0465 -0.1174 0.0500 0.0866 -0.0123 -0.0312 -0.0065 -0.0231 0.0322 -0.0268 -0.0090 -0.0192 0.0218 0.0164 0.0050 0.0128 441. (0.00007) RY ( 9) C 7 s( 14.10%)p 2.50( 35.22%)d 2.83( 39.91%) f 0.64( 9.03%)g 0.12( 1.75%) 442. (0.00005) RY (10) C 7 s( 1.64%)p23.36( 38.28%)d27.67( 45.35%) f 8.41( 13.79%)g 0.58( 0.94%) 443. (0.00003) RY (11) C 7 s( 0.49%)p 9.85( 4.80%)d99.99( 86.74%) f15.14( 7.38%)g 1.20( 0.58%) 444. (0.00003) RY (12) C 7 s( 8.30%)p 4.24( 35.20%)d 4.16( 34.51%) f 2.53( 20.98%)g 0.12( 1.01%) 445. (0.00001) RY (13) C 7 s( 5.44%)p 1.74( 9.45%)d 7.35( 39.95%) f 6.18( 33.61%)g 2.12( 11.55%) 446. (0.00001) RY (14) C 7 s( 5.77%)p 2.74( 15.82%)d 3.92( 22.63%) f 9.57( 55.20%)g 0.10( 0.59%) 447. (0.00001) RY (15) C 7 s( 8.88%)p 1.33( 11.82%)d 4.66( 41.38%) f 2.81( 24.98%)g 1.46( 12.94%) 448. (0.00001) RY (16) C 7 s( 1.28%)p17.60( 22.58%)d18.61( 23.87%) f39.32( 50.43%)g 1.44( 1.85%) 449. (0.00000) RY (17) C 7 s( 3.52%)p 2.14( 7.52%)d15.43( 54.33%) f 8.07( 28.43%)g 1.76( 6.20%) 450. (0.00000) RY (18) C 7 s( 16.40%)p 0.36( 5.84%)d 1.87( 30.64%) f 2.46( 40.32%)g 0.41( 6.80%) 451. (0.00000) RY (19) C 7 s( 6.31%)p 1.68( 10.60%)d 4.79( 30.26%) f 3.35( 21.14%)g 5.02( 31.69%) 452. (0.00000) RY (20) C 7 s( 7.71%)p 0.22( 1.73%)d 2.53( 19.53%) f 4.14( 31.88%)g 5.08( 39.15%) 453. (0.00000) RY (21) C 7 s( 8.60%)p 0.67( 5.72%)d 2.51( 21.55%) f 1.20( 10.32%)g 6.26( 53.81%) 454. (0.00000) RY (22) C 7 s( 12.76%)p 0.17( 2.20%)d 2.13( 27.19%) f 1.11( 14.18%)g 3.42( 43.66%) 455. (0.00000) RY (23) C 7 s( 14.13%)p 0.25( 3.59%)d 2.11( 29.78%) f 0.67( 9.48%)g 3.05( 43.02%) 456. (0.00000) RY (24) C 7 s( 33.75%)p 0.10( 3.50%)d 0.28( 9.40%) f 0.54( 18.13%)g 1.04( 35.22%) 457. (0.00000) RY (25) C 7 s( 10.09%)p 1.83( 18.43%)d 1.68( 16.99%) f 2.64( 26.65%)g 2.76( 27.84%) 458. (0.00000) RY (26) C 7 s( 13.31%)p 1.66( 22.09%)d 1.74( 23.16%) f 1.57( 20.91%)g 1.54( 20.53%) 459. (0.00000) RY (27) C 7 s( 2.13%)p 4.37( 9.30%)d14.52( 30.91%) f13.78( 29.34%)g13.30( 28.32%) 460. (0.00000) RY (28) C 7 s( 4.79%)p 5.99( 28.65%)d 6.38( 30.55%) f 5.71( 27.34%)g 1.81( 8.67%) 461. (0.00000) RY (29) C 7 s( 7.63%)p 2.29( 17.51%)d 2.77( 21.16%) f 4.28( 32.67%)g 2.75( 21.03%) 462. (0.00000) RY (30) C 7 s( 11.87%)p 2.80( 33.25%)d 3.87( 45.91%) f 0.36( 4.23%)g 0.40( 4.74%) 463. (0.00000) RY (31) C 7 s( 0.84%)p28.68( 23.96%)d44.12( 36.87%) f40.16( 33.56%)g 5.72( 4.78%) 464. (0.00000) RY (32) C 7 s( 2.25%)p17.50( 39.35%)d 8.09( 18.19%) f 7.37( 16.57%)g10.51( 23.64%) 465. (0.00000) RY (33) C 7 s( 10.38%)p 1.86( 19.33%)d 2.68( 27.85%) f 3.38( 35.11%)g 0.71( 7.33%) 466. (0.00000) RY (34) C 7 s( 5.87%)p 2.00( 11.72%)d 4.10( 24.04%) f 7.72( 45.30%)g 2.23( 13.07%) 467. (0.00000) RY (35) C 7 s( 2.44%)p 8.15( 19.88%)d16.18( 39.49%) f15.04( 36.70%)g 0.61( 1.49%) 468. (0.00000) RY (36) C 7 s( 1.94%)p11.48( 22.26%)d20.08( 38.96%) f17.81( 34.56%)g 1.18( 2.29%) 469. (0.00000) RY (37) C 7 s( 7.41%)p 3.73( 27.68%)d 4.43( 32.86%) f 3.71( 27.50%)g 0.61( 4.55%) 470. (0.00000) RY (38) C 7 s( 8.25%)p 1.99( 16.45%)d 6.41( 52.90%) f 2.46( 20.30%)g 0.26( 2.11%) 471. (0.00000) RY (39) C 7 s( 34.36%)p 0.22( 7.69%)d 0.73( 24.95%) f 0.90( 31.04%)g 0.06( 1.97%) 472. (0.00000) RY (40) C 7 s( 76.91%)p 0.00( 0.34%)d 0.04( 3.01%) f 0.12( 8.88%)g 0.14( 10.86%) 473. (0.00000) RY (41) C 7 s( 0.67%)p 4.20( 2.81%)d19.01( 12.74%) f99.20( 66.51%)g25.75( 17.26%) 474. (0.00000) RY (42) C 7 s( 6.01%)p 0.32( 1.90%)d 2.45( 14.72%) f 8.33( 50.07%)g 4.54( 27.29%) 475. (0.00000) RY (43) C 7 s( 0.42%)p 5.50( 2.32%)d51.62( 21.74%) f75.93( 31.98%)g99.99( 43.54%) 476. (0.00000) RY (44) C 7 s( 5.40%)p 0.07( 0.40%)d 5.35( 28.92%) f 7.47( 40.35%)g 4.61( 24.93%) 477. (0.00000) RY (45) C 7 s( 3.57%)p 0.10( 0.35%)d 0.99( 3.51%) f 9.17( 32.72%)g16.78( 59.85%) 478. (0.00000) RY (46) C 7 s( 2.82%)p 0.10( 0.29%)d 4.46( 12.57%) f13.17( 37.12%)g16.75( 47.20%) 479. (0.00000) RY (47) C 7 s( 6.51%)p 0.07( 0.47%)d 4.40( 28.66%) f 7.36( 47.93%)g 2.53( 16.44%) 480. (0.00000) RY (48) C 7 s( 4.46%)p 0.35( 1.55%)d 5.78( 25.79%) f13.43( 59.95%)g 1.85( 8.25%) 481. (0.00000) RY (49) C 7 s( 0.37%)p 1.40( 0.52%)d44.72( 16.57%) f96.73( 35.84%)g99.99( 46.71%) 482. (0.00000) RY (50) C 7 s( 1.78%)p 0.19( 0.34%)d13.20( 23.53%) f16.33( 29.09%)g25.40( 45.26%) 483. (0.00000) RY (51) C 7 s( 22.74%)p 0.12( 2.74%)d 0.34( 7.77%) f 0.64( 14.66%)g 2.29( 52.09%) 484. (0.00000) RY (52) C 7 s( 17.62%)p 0.02( 0.32%)d 0.72( 12.69%) f 2.06( 36.31%)g 1.88( 33.06%) 485. (0.00182) RY ( 1) C 8 s( 2.33%)p33.23( 77.46%)d 8.34( 19.44%) f 0.28( 0.64%)g 0.05( 0.13%) 0.0000 0.0135 0.1483 0.0280 0.0140 -0.0127 0.0005 0.0344 -0.4971 0.0328 -0.0011 0.0175 0.3968 0.0201 -0.0056 0.0090 -0.6053 0.0216 0.0061 -0.1384 0.0738 -0.0210 -0.0758 0.2227 0.0104 0.1845 -0.2707 0.0102 0.0240 0.0225 0.0086 0.0629 -0.0352 0.0116 -0.0109 -0.0033 0.0196 0.0134 -0.0049 -0.0109 0.0634 -0.0077 -0.0299 -0.0167 0.0113 -0.0066 -0.0109 -0.0077 -0.0251 -0.0061 -0.0031 0.0045 -0.0187 0.0106 -0.0026 0.0099 -0.0004 486. (0.00140) RY ( 2) C 8 s( 0.11%)p99.99( 94.13%)d 8.08( 0.90%) f43.71( 4.85%)g 0.12( 0.01%) 0.0000 -0.0006 0.0304 0.0136 0.0008 0.0002 -0.0001 0.0217 0.3836 0.0998 0.0192 -0.0271 -0.5579 -0.1276 -0.0178 -0.0354 -0.6550 -0.1548 -0.0196 -0.0049 -0.0315 -0.0135 0.0182 -0.0165 -0.0042 0.0307 -0.0438 -0.0023 0.0356 0.0040 0.0095 0.0093 -0.0497 -0.0186 0.0641 -0.0073 0.0846 -0.0251 -0.1015 0.0237 0.0381 -0.0105 0.1424 -0.0417 -0.0409 0.0204 -0.0023 0.0011 0.0015 0.0065 -0.0071 0.0017 -0.0017 0.0040 0.0043 -0.0008 -0.0005 487. (0.00091) RY ( 3) C 8 s( 9.11%)p 7.01( 63.80%)d 2.71( 24.65%) f 0.26( 2.36%)g 0.01( 0.08%) 0.0000 -0.0010 0.3010 0.0143 0.0156 0.0055 0.0010 0.0056 -0.4827 0.0986 0.0043 0.0165 -0.5726 0.0365 -0.0050 -0.0078 0.2485 0.0619 0.0103 -0.1373 0.0469 -0.0110 0.2041 -0.0212 0.0324 0.2953 -0.0566 0.0202 0.2897 -0.0596 0.0322 0.0503 -0.0162 0.0070 -0.0011 -0.0017 -0.0731 0.0208 0.0402 0.0050 0.1055 -0.0139 0.0317 0.0028 0.0131 0.0075 0.0574 -0.0184 0.0063 -0.0115 0.0002 0.0165 0.0017 0.0193 -0.0016 0.0017 0.0032 488. (0.00051) RY ( 4) C 8 s( 61.02%)p 0.41( 25.07%)d 0.19( 11.59%) f 0.03( 1.94%)g 0.01( 0.38%) 0.0000 -0.0138 0.7434 -0.2393 -0.0088 -0.0043 -0.0006 -0.0037 0.3950 -0.2212 0.0213 0.0013 0.1862 -0.0436 0.0285 -0.0066 0.0812 0.0322 0.0165 -0.1448 0.0697 -0.0116 0.1180 0.0188 -0.0148 0.0528 -0.1557 0.0118 0.0290 -0.1641 -0.0171 0.1338 -0.0429 0.0216 -0.0635 0.0039 0.0562 -0.0069 -0.0245 -0.0030 -0.0973 0.0106 -0.0157 -0.0027 0.0283 -0.0182 -0.0045 0.0225 -0.0162 0.0219 0.0041 -0.0340 -0.0227 -0.0306 0.0138 -0.0108 -0.0116 489. (0.00036) RY ( 5) C 8 s( 0.61%)p38.42( 23.49%)d99.99( 71.41%) f 6.99( 4.27%)g 0.35( 0.22%) 0.0000 -0.0023 0.0726 -0.0273 -0.0077 -0.0055 -0.0005 -0.0067 0.0019 0.1870 0.0995 0.0038 0.1068 -0.3043 -0.0801 0.0040 0.0770 -0.2470 -0.1123 -0.1427 0.0059 -0.0393 -0.0981 -0.4319 -0.0247 -0.1207 -0.3226 -0.0243 0.2624 0.4857 0.0345 -0.1013 0.2389 -0.0538 0.0187 0.0174 0.0720 -0.0736 0.0617 -0.0750 -0.0023 0.0032 -0.0642 0.0052 0.0536 0.0357 0.0941 -0.0697 -0.0021 0.0262 0.0039 -0.0141 0.0054 0.0068 -0.0145 0.0143 0.0277 490. (0.00022) RY ( 6) C 8 s( 0.11%)p99.99( 12.65%)d99.99( 13.29%) f99.99( 71.30%)g25.06( 2.66%) 0.0000 0.0006 -0.0018 0.0323 0.0037 -0.0021 0.0001 0.0059 0.1049 -0.0131 -0.1185 -0.0122 -0.1151 0.0371 0.1520 -0.0115 -0.1613 0.0102 0.1926 0.0164 0.1421 0.0466 -0.0103 0.0258 -0.0037 0.0122 0.0135 -0.0016 0.0308 -0.0010 0.0237 -0.0789 0.3099 0.0729 -0.4142 0.1240 -0.3371 0.1066 0.4339 -0.1228 -0.1106 0.0318 -0.4072 0.1248 -0.0542 0.0101 -0.0044 0.0083 -0.0118 -0.0991 0.1147 -0.0167 -0.0010 -0.0430 -0.0365 -0.0057 0.0012 491. (0.00014) RY ( 7) C 8 s( 1.75%)p10.98( 19.19%)d39.19( 68.49%) f 5.27( 9.22%)g 0.77( 1.35%) 0.0000 -0.0061 0.0525 0.0994 -0.0222 -0.0657 -0.0016 -0.0125 0.0313 0.2347 0.0492 -0.0015 0.2477 0.1048 -0.0401 -0.0083 -0.1959 0.1304 0.0625 0.0557 -0.0589 -0.0009 0.5304 -0.2492 -0.0152 -0.1602 0.4054 0.0435 0.3700 -0.0718 0.0193 -0.0165 -0.0065 -0.0014 -0.1223 0.0287 0.0942 -0.0195 -0.0964 0.0593 0.1837 -0.0231 -0.1037 0.0436 0.0854 0.0011 0.0101 -0.0042 0.0695 0.0031 -0.0126 0.0556 0.0390 -0.0303 -0.0523 -0.0119 -0.0088 492. (0.00007) RY ( 8) C 8 s( 3.13%)p 5.76( 18.00%)d21.41( 66.96%) f 3.76( 11.74%)g 0.06( 0.18%) 493. (0.00005) RY ( 9) C 8 s( 15.86%)p 1.48( 23.46%)d 2.76( 43.77%) f 1.01( 16.09%)g 0.05( 0.83%) 494. (0.00003) RY (10) C 8 s( 5.26%)p 7.38( 38.83%)d 6.45( 33.92%) f 4.03( 21.21%)g 0.15( 0.79%) 495. (0.00002) RY (11) C 8 s( 8.43%)p 6.35( 53.55%)d 2.25( 18.99%) f 2.16( 18.24%)g 0.09( 0.79%) 496. (0.00001) RY (12) C 8 s( 8.45%)p 2.38( 20.08%)d 7.58( 63.99%) f 0.70( 5.91%)g 0.19( 1.58%) 497. (0.00001) RY (13) C 8 s( 6.08%)p 2.67( 16.24%)d 7.53( 45.81%) f 2.66( 16.20%)g 2.58( 15.66%) 498. (0.00001) RY (14) C 8 s( 9.65%)p 1.96( 18.88%)d 5.05( 48.72%) f 2.14( 20.69%)g 0.21( 2.06%) 499. (0.00001) RY (15) C 8 s( 7.04%)p 1.69( 11.91%)d 3.62( 25.45%) f 7.38( 51.92%)g 0.52( 3.68%) 500. (0.00001) RY (16) C 8 s( 0.58%)p50.60( 29.37%)d61.43( 35.65%) f47.84( 27.77%)g11.43( 6.63%) 501. (0.00000) RY (17) C 8 s( 10.61%)p 0.39( 4.19%)d 3.83( 40.62%) f 0.93( 9.82%)g 3.28( 34.77%) 502. (0.00000) RY (18) C 8 s( 11.68%)p 0.89( 10.40%)d 0.88( 10.22%) f 3.39( 39.61%)g 2.41( 28.10%) 503. (0.00000) RY (19) C 8 s( 11.70%)p 1.84( 21.55%)d 1.56( 18.26%) f 1.82( 21.24%)g 2.33( 27.25%) 504. (0.00000) RY (20) C 8 s( 14.09%)p 0.20( 2.85%)d 0.90( 12.69%) f 0.90( 12.62%)g 4.10( 57.75%) 505. (0.00000) RY (21) C 8 s( 15.16%)p 0.63( 9.48%)d 0.94( 14.27%) f 1.40( 21.29%)g 2.62( 39.80%) 506. (0.00000) RY (22) C 8 s( 20.08%)p 0.68( 13.57%)d 1.58( 31.76%) f 0.76( 15.22%)g 0.96( 19.37%) 507. (0.00000) RY (23) C 8 s( 8.67%)p 0.30( 2.58%)d 1.49( 12.96%) f 1.82( 15.81%)g 6.92( 59.98%) 508. (0.00000) RY (24) C 8 s( 20.86%)p 0.41( 8.45%)d 0.88( 18.45%) f 1.25( 26.09%)g 1.25( 26.14%) 509. (0.00000) RY (25) C 8 s( 2.49%)p 2.10( 5.23%)d12.57( 31.34%) f18.00( 44.89%)g 6.44( 16.06%) 510. (0.00000) RY (26) C 8 s( 5.14%)p 2.26( 11.61%)d 7.23( 37.19%) f 5.72( 29.41%)g 3.24( 16.65%) 511. (0.00000) RY (27) C 8 s( 5.91%)p 3.96( 23.37%)d 1.74( 10.28%) f 8.09( 47.80%)g 2.14( 12.64%) 512. (0.00000) RY (28) C 8 s( 17.30%)p 2.06( 35.69%)d 1.84( 31.88%) f 0.51( 8.79%)g 0.37( 6.34%) 513. (0.00000) RY (29) C 8 s( 7.50%)p 2.23( 16.73%)d 1.97( 14.75%) f 7.71( 57.82%)g 0.43( 3.20%) 514. (0.00000) RY (30) C 8 s( 1.59%)p24.54( 39.05%)d 9.32( 14.83%) f24.08( 38.31%)g 3.90( 6.21%) 515. (0.00000) RY (31) C 8 s( 2.33%)p10.78( 25.10%)d20.03( 46.64%) f 8.08( 18.81%)g 3.06( 7.12%) 516. (0.00000) RY (32) C 8 s( 3.60%)p 4.62( 16.65%)d10.98( 39.56%) f 6.63( 23.90%)g 4.52( 16.30%) 517. (0.00000) RY (33) C 8 s( 3.93%)p 3.42( 13.45%)d 7.54( 29.66%) f10.72( 42.18%)g 2.74( 10.77%) 518. (0.00000) RY (34) C 8 s( 9.95%)p 1.06( 10.58%)d 5.06( 50.33%) f 2.77( 27.57%)g 0.16( 1.57%) 519. (0.00000) RY (35) C 8 s( 9.58%)p 1.72( 16.44%)d 4.65( 44.48%) f 2.79( 26.75%)g 0.29( 2.75%) 520. (0.00000) RY (36) C 8 s( 5.92%)p 2.54( 15.04%)d 6.79( 40.23%) f 6.06( 35.90%)g 0.49( 2.91%) 521. (0.00000) RY (37) C 8 s( 35.64%)p 0.60( 21.53%)d 0.87( 30.85%) f 0.28( 10.12%)g 0.05( 1.87%) 522. (0.00000) RY (38) C 8 s( 7.46%)p 1.49( 11.09%)d 5.59( 41.74%) f 4.57( 34.12%)g 0.75( 5.58%) 523. (0.00000) RY (39) C 8 s( 14.09%)p 0.06( 0.78%)d 0.99( 14.01%) f 1.96( 27.68%)g 3.08( 43.44%) 524. (0.00000) RY (40) C 8 s( 50.97%)p 0.04( 1.84%)d 0.08( 4.26%) f 0.52( 26.75%)g 0.32( 16.17%) 525. (0.00000) RY (41) C 8 s( 1.72%)p 0.51( 0.87%)d 3.16( 5.43%) f29.78( 51.20%)g23.72( 40.78%) 526. (0.00000) RY (42) C 8 s( 20.44%)p 0.11( 2.22%)d 0.54( 11.03%) f 1.59( 32.45%)g 1.66( 33.86%) 527. (0.00000) RY (43) C 8 s( 1.90%)p 0.90( 1.72%)d 1.88( 3.58%) f23.90( 45.54%)g24.81( 47.26%) 528. (0.00000) RY (44) C 8 s( 5.99%)p 0.19( 1.12%)d 2.63( 15.76%) f 5.26( 31.51%)g 7.61( 45.62%) 529. (0.00000) RY (45) C 8 s( 0.24%)p 0.90( 0.22%)d11.53( 2.81%) f99.99( 49.62%)g99.99( 47.11%) 530. (0.00000) RY (46) C 8 s( 8.48%)p 0.11( 0.89%)d 2.48( 21.00%) f 2.77( 23.46%)g 5.44( 46.18%) 531. (0.00000) RY (47) C 8 s( 4.93%)p 0.08( 0.42%)d 5.50( 27.11%) f 8.87( 43.74%)g 4.82( 23.80%) 532. (0.00000) RY (48) C 8 s( 1.31%)p 1.78( 2.33%)d28.66( 37.53%) f24.83( 32.51%)g20.09( 26.31%) 533. (0.00000) RY (49) C 8 s( 5.89%)p 0.35( 2.06%)d 5.57( 32.78%) f 6.64( 39.07%)g 3.43( 20.21%) 534. (0.00000) RY (50) C 8 s( 4.42%)p 0.15( 0.66%)d11.00( 48.56%) f 8.08( 35.68%)g 2.42( 10.68%) 535. (0.00000) RY (51) C 8 s( 1.18%)p 0.32( 0.38%)d12.87( 15.17%) f49.71( 58.56%)g20.98( 24.71%) 536. (0.00000) RY (52) C 8 s( 7.90%)p 0.55( 4.38%)d 5.62( 44.43%) f 1.22( 9.62%)g 4.26( 33.66%) 537. (0.00180) RY ( 1) C 9 s( 2.05%)p38.08( 77.99%)d 9.36( 19.17%) f 0.32( 0.66%)g 0.06( 0.13%) 0.0000 0.0131 0.1383 0.0290 0.0133 -0.0128 0.0004 0.0340 -0.5309 0.0323 0.0003 0.0130 0.6065 0.0115 -0.0064 -0.0127 0.3559 -0.0291 -0.0042 -0.0904 -0.0309 -0.0230 0.1053 -0.2131 -0.0038 -0.0924 0.1734 0.0006 0.0612 -0.0471 0.0094 0.1741 -0.2244 0.0149 0.0244 0.0092 -0.0122 0.0026 -0.0157 0.0042 -0.0424 0.0109 0.0353 0.0155 0.0005 -0.0161 -0.0427 -0.0044 -0.0083 0.0233 -0.0207 0.0040 -0.0052 0.0011 0.0110 0.0062 -0.0032 538. (0.00136) RY ( 2) C 9 s( 0.29%)p99.99( 93.28%)d 5.04( 1.47%) f16.90( 4.94%)g 0.05( 0.01%) 0.0000 0.0002 0.0517 0.0156 0.0025 -0.0005 0.0001 0.0200 0.2666 0.0964 0.0170 -0.0091 -0.3069 -0.0609 -0.0111 0.0439 0.8441 0.1965 0.0267 -0.0249 -0.0200 -0.0127 -0.0251 0.0354 0.0102 -0.0214 0.0109 -0.0089 0.0624 -0.0081 0.0118 0.0365 -0.0723 -0.0156 0.0812 -0.0260 0.1417 -0.0413 -0.1223 0.0249 0.0122 0.0007 -0.0620 0.0239 0.0123 0.0038 0.0027 -0.0009 -0.0070 0.0001 0.0032 -0.0002 -0.0081 -0.0006 -0.0020 0.0015 -0.0015 539. (0.00094) RY ( 3) C 9 s( 11.26%)p 5.40( 60.74%)d 2.26( 25.44%) f 0.22( 2.48%)g 0.01( 0.07%) 0.0000 -0.0015 0.3351 0.0064 0.0160 0.0043 0.0010 0.0043 -0.4857 0.0830 0.0058 0.0196 -0.5875 0.0181 -0.0151 -0.0016 -0.1156 -0.0710 -0.0071 -0.1859 0.0503 -0.0208 -0.1211 -0.0031 -0.0232 -0.0898 0.0319 0.0001 0.3964 -0.0807 0.0394 0.1599 -0.0417 0.0117 -0.0187 0.0001 -0.0752 0.0234 -0.0301 0.0094 -0.1121 0.0147 -0.0459 0.0072 0.0430 0.0039 0.0159 -0.0141 0.0013 0.0134 0.0100 0.0000 -0.0039 -0.0172 0.0093 -0.0003 -0.0080 540. (0.00053) RY ( 4) C 9 s( 59.84%)p 0.46( 27.28%)d 0.17( 10.42%) f 0.03( 2.07%)g 0.01( 0.39%) 0.0000 -0.0135 0.7335 -0.2453 -0.0095 -0.0045 -0.0006 -0.0038 0.4236 -0.2189 0.0270 0.0031 0.1714 -0.0587 0.0138 0.0044 -0.1061 -0.0125 -0.0135 -0.1748 0.0473 -0.0068 -0.0567 -0.0368 0.0166 0.0440 0.0463 -0.0025 0.0283 -0.1889 -0.0166 0.1081 -0.1151 0.0264 0.0428 0.0020 0.0410 -0.0103 0.0822 -0.0130 0.0738 -0.0159 0.0521 -0.0067 -0.0011 -0.0160 0.0344 0.0159 0.0052 -0.0102 -0.0299 0.0088 -0.0080 0.0438 -0.0259 -0.0035 0.0128 541. (0.00037) RY ( 5) C 9 s( 0.41%)p60.18( 24.84%)d99.99( 70.55%) f 9.65( 3.98%)g 0.52( 0.22%) 0.0000 -0.0014 0.0558 -0.0311 -0.0049 -0.0046 -0.0003 -0.0045 -0.0062 0.1640 0.0781 0.0022 0.0661 -0.1718 -0.0339 -0.0068 -0.1124 0.3849 0.1396 -0.0899 0.1289 -0.0288 0.2083 0.3985 0.0512 0.1127 0.5661 -0.0054 0.1672 0.2819 0.0262 -0.1749 -0.0066 -0.0558 -0.0540 0.0304 0.0217 -0.0597 0.0084 -0.0411 -0.0500 0.0769 0.1111 -0.0247 0.0096 0.0389 0.0697 -0.0485 0.0048 -0.0224 -0.0169 -0.0115 -0.0207 -0.0109 0.0158 0.0089 0.0184 542. (0.00023) RY ( 6) C 9 s( 0.07%)p99.99( 13.03%)d99.99( 13.11%) f99.99( 71.11%)g36.62( 2.68%) 0.0000 0.0012 0.0096 0.0252 0.0022 0.0009 0.0002 0.0071 0.0862 -0.0280 -0.1067 -0.0058 -0.0588 0.0216 0.0666 0.0153 0.2015 -0.0099 -0.2476 0.0192 0.1109 0.0407 0.0323 -0.1212 -0.0227 -0.0516 0.2009 0.0547 -0.0119 -0.0201 0.0067 -0.0470 0.2207 0.0549 -0.2073 0.0611 -0.4924 0.1540 0.5574 -0.1640 -0.1688 0.0474 0.0050 -0.0023 -0.1631 0.0411 -0.0365 0.0164 0.1129 0.0375 -0.0276 0.0211 0.1003 -0.0070 0.0239 -0.0240 0.0136 543. (0.00014) RY ( 7) C 9 s( 1.29%)p15.50( 20.06%)d52.04( 67.35%) f 7.71( 9.98%)g 1.01( 1.31%) 0.0000 -0.0068 0.0563 0.0689 -0.0230 -0.0667 -0.0013 -0.0122 0.0240 0.2785 0.0478 0.0039 0.2945 0.0320 -0.0577 0.0078 0.1016 -0.1277 -0.0468 -0.1960 0.0870 0.0067 -0.4416 0.2260 0.0157 0.2176 -0.2978 -0.0155 0.3113 0.0702 0.0312 -0.2334 0.2946 0.0283 0.1799 -0.0594 -0.0659 0.0280 0.0154 -0.0027 -0.1389 0.0077 0.1657 -0.0455 0.0260 0.0293 -0.0904 0.0048 -0.0035 -0.0398 0.0764 -0.0239 0.0335 -0.0024 0.0439 -0.0448 -0.0055 544. (0.00007) RY ( 8) C 9 s( 2.92%)p 6.32( 18.45%)d23.32( 68.06%) f 3.58( 10.46%)g 0.03( 0.10%) 545. (0.00005) RY ( 9) C 9 s( 15.45%)p 1.49( 23.05%)d 2.99( 46.17%) f 0.93( 14.42%)g 0.06( 0.91%) 546. (0.00004) RY (10) C 9 s( 5.46%)p 8.09( 44.17%)d 4.86( 26.52%) f 4.23( 23.12%)g 0.14( 0.74%) 547. (0.00002) RY (11) C 9 s( 3.20%)p11.55( 37.00%)d10.59( 33.95%) f 7.75( 24.82%)g 0.32( 1.03%) 548. (0.00001) RY (12) C 9 s( 8.31%)p 3.78( 31.38%)d 6.45( 53.61%) f 0.68( 5.65%)g 0.13( 1.06%) 549. (0.00001) RY (13) C 9 s( 5.02%)p 1.97( 9.87%)d11.35( 56.99%) f 3.36( 16.89%)g 2.24( 11.23%) 550. (0.00001) RY (14) C 9 s( 3.59%)p 7.49( 26.91%)d 8.49( 30.52%) f 8.17( 29.37%)g 2.67( 9.60%) 551. (0.00001) RY (15) C 9 s( 12.26%)p 1.98( 24.29%)d 3.88( 47.58%) f 1.08( 13.26%)g 0.21( 2.61%) 552. (0.00001) RY (16) C 9 s( 2.32%)p 7.63( 17.72%)d14.47( 33.59%) f18.48( 42.91%)g 1.49( 3.46%) 553. (0.00000) RY (17) C 9 s( 11.83%)p 0.10( 1.17%)d 3.27( 38.75%) f 1.05( 12.37%)g 3.03( 35.88%) 554. (0.00000) RY (18) C 9 s( 4.16%)p 0.54( 2.25%)d 4.23( 17.59%) f 4.81( 20.02%)g13.46( 55.98%) 555. (0.00000) RY (19) C 9 s( 8.23%)p 2.17( 17.84%)d 2.83( 23.29%) f 2.92( 24.07%)g 3.23( 26.57%) 556. (0.00000) RY (20) C 9 s( 24.25%)p 0.12( 2.88%)d 0.98( 23.69%) f 0.97( 23.59%)g 1.06( 25.60%) 557. (0.00000) RY (21) C 9 s( 5.24%)p 0.97( 5.10%)d 2.37( 12.41%) f 6.67( 34.96%)g 8.07( 42.29%) 558. (0.00000) RY (22) C 9 s( 18.08%)p 0.69( 12.52%)d 1.65( 29.89%) f 0.44( 7.90%)g 1.75( 31.62%) 559. (0.00000) RY (23) C 9 s( 14.48%)p 0.64( 9.34%)d 1.38( 20.01%) f 2.63( 38.10%)g 1.25( 18.07%) 560. (0.00000) RY (24) C 9 s( 11.81%)p 0.54( 6.34%)d 2.60( 30.76%) f 1.70( 20.04%)g 2.63( 31.05%) 561. (0.00000) RY (25) C 9 s( 16.54%)p 1.10( 18.20%)d 1.82( 30.04%) f 1.00( 16.55%)g 1.13( 18.67%) 562. (0.00000) RY (26) C 9 s( 2.54%)p 5.48( 13.94%)d11.12( 28.31%) f14.91( 37.93%)g 6.79( 17.28%) 563. (0.00000) RY (27) C 9 s( 5.93%)p 3.69( 21.89%)d 2.67( 15.86%) f 7.63( 45.23%)g 1.87( 11.09%) 564. (0.00000) RY (28) C 9 s( 0.88%)p50.07( 44.26%)d22.04( 19.48%) f22.46( 19.86%)g17.56( 15.52%) 565. (0.00000) RY (29) C 9 s( 2.54%)p14.27( 36.22%)d 8.35( 21.21%) f12.51( 31.75%)g 3.26( 8.28%) 566. (0.00000) RY (30) C 9 s( 6.53%)p 2.52( 16.42%)d 7.06( 46.06%) f 2.39( 15.58%)g 2.36( 15.40%) 567. (0.00000) RY (31) C 9 s( 3.16%)p 4.33( 13.67%)d 8.37( 26.43%) f14.92( 47.16%)g 3.03( 9.58%) 568. (0.00000) RY (32) C 9 s( 5.99%)p 4.39( 26.32%)d 3.00( 17.96%) f 7.84( 46.97%)g 0.46( 2.76%) 569. (0.00000) RY (33) C 9 s( 5.79%)p 2.33( 13.47%)d 8.20( 47.49%) f 5.17( 29.95%)g 0.57( 3.30%) 570. (0.00000) RY (34) C 9 s( 11.73%)p 0.24( 2.83%)d 3.04( 35.59%) f 4.00( 46.93%)g 0.25( 2.93%) 571. (0.00000) RY (35) C 9 s( 4.98%)p 2.17( 10.81%)d11.41( 56.86%) f 4.98( 24.81%)g 0.51( 2.55%) 572. (0.00000) RY (36) C 9 s( 17.26%)p 1.13( 19.54%)d 2.14( 36.99%) f 1.39( 24.01%)g 0.13( 2.20%) 573. (0.00000) RY (37) C 9 s( 21.14%)p 0.52( 10.93%)d 1.39( 29.37%) f 1.64( 34.65%)g 0.18( 3.91%) 574. (0.00000) RY (38) C 9 s( 19.91%)p 0.71( 14.04%)d 1.62( 32.20%) f 1.38( 27.56%)g 0.32( 6.29%) 575. (0.00000) RY (39) C 9 s( 69.00%)p 0.00( 0.06%)d 0.12( 8.37%) f 0.23( 15.76%)g 0.10( 6.81%) 576. (0.00000) RY (40) C 9 s( 1.85%)p 0.42( 0.78%)d 2.95( 5.47%) f16.15( 29.94%)g33.41( 61.95%) 577. (0.00000) RY (41) C 9 s( 3.65%)p 0.13( 0.49%)d 2.28( 8.31%) f12.38( 45.16%)g11.62( 42.39%) 578. (0.00000) RY (42) C 9 s( 2.73%)p 0.49( 1.34%)d 2.07( 5.65%) f24.50( 66.80%)g 8.61( 23.49%) 579. (0.00000) RY (43) C 9 s( 13.84%)p 0.06( 0.87%)d 0.42( 5.81%) f 2.85( 39.47%)g 2.89( 40.02%) 580. (0.00000) RY (44) C 9 s( 1.89%)p 0.98( 1.84%)d 5.24( 9.91%) f17.10( 32.34%)g28.56( 54.01%) 581. (0.00000) RY (45) C 9 s( 3.67%)p 0.55( 2.03%)d 4.30( 15.78%) f13.23( 48.52%)g 8.17( 29.99%) 582. (0.00000) RY (46) C 9 s( 4.02%)p 0.48( 1.91%)d 3.96( 15.94%) f 6.63( 26.66%)g12.80( 51.47%) 583. (0.00000) RY (47) C 9 s( 6.61%)p 0.12( 0.81%)d 6.05( 39.99%) f 6.35( 41.93%)g 1.61( 10.66%) 584. (0.00000) RY (48) C 9 s( 4.89%)p 0.27( 1.32%)d 6.90( 33.75%) f 9.54( 46.69%)g 2.73( 13.35%) 585. (0.00000) RY (49) C 9 s( 13.70%)p 0.20( 2.79%)d 2.38( 32.55%) f 0.68( 9.32%)g 3.04( 41.64%) 586. (0.00000) RY (50) C 9 s( 3.91%)p 0.82( 3.20%)d12.23( 47.85%) f 7.27( 28.43%)g 4.24( 16.60%) 587. (0.00000) RY (51) C 9 s( 4.69%)p 1.70( 7.97%)d 3.10( 14.53%) f 5.35( 25.05%)g10.19( 47.76%) 588. (0.00000) RY (52) C 9 s( 8.97%)p 0.58( 5.20%)d 1.21( 10.81%) f 4.19( 37.59%)g 4.17( 37.43%) 589. (0.00189) RY ( 1) C 10 s( 2.89%)p24.95( 72.12%)d 8.21( 23.75%) f 0.37( 1.07%)g 0.06( 0.17%) 0.0000 0.0093 0.1659 0.0285 0.0191 -0.0106 0.0005 0.0092 0.0166 0.1036 0.0117 0.0105 -0.1717 -0.0422 -0.0307 -0.0136 0.8207 -0.0627 -0.0076 -0.2609 0.2239 -0.0213 -0.1592 0.0831 -0.0226 -0.0255 -0.0752 -0.0017 0.0166 0.1649 0.0055 -0.0292 0.2254 0.0242 -0.0235 -0.0255 0.0243 -0.0052 0.0677 -0.0043 0.0333 -0.0287 0.0008 0.0045 -0.0208 0.0026 0.0430 -0.0073 0.0171 0.0034 -0.0266 -0.0048 0.0229 0.0079 -0.0023 -0.0015 0.0065 590. (0.00153) RY ( 2) C 10 s( 0.08%)p99.99( 85.91%)d99.99( 10.24%) f45.22( 3.67%)g 1.30( 0.11%) 0.0000 -0.0061 0.0009 0.0273 0.0043 0.0034 0.0003 0.0140 0.1038 0.2096 0.0180 -0.0402 -0.8322 -0.1325 -0.0455 0.0067 -0.2785 -0.1105 -0.0145 -0.0480 -0.0495 -0.0007 -0.1610 -0.0665 -0.0374 -0.1345 0.0126 0.0054 0.0166 0.1842 0.0121 0.0874 -0.0720 0.0201 0.0743 -0.0097 -0.0286 0.0292 0.1083 -0.0117 0.0416 -0.0388 0.0215 -0.0030 -0.1132 0.0307 -0.0010 0.0066 -0.0071 -0.0098 -0.0176 -0.0129 -0.0063 0.0082 -0.0173 0.0020 0.0045 591. (0.00125) RY ( 3) C 10 s( 0.69%)p99.99( 79.81%)d22.38( 15.53%) f 5.44( 3.78%)g 0.27( 0.19%) 0.0000 -0.0019 -0.0583 0.0591 0.0048 0.0046 0.0006 -0.0323 -0.8758 0.0824 0.0094 0.0130 0.0730 0.0747 -0.0488 0.0141 -0.0531 -0.0815 -0.0058 -0.0499 -0.0697 -0.0008 -0.2356 -0.0151 -0.0270 -0.1295 -0.0607 -0.0157 0.0407 0.2274 0.0059 0.0923 -0.0933 0.0138 0.0228 0.0016 0.0939 0.0084 -0.0022 0.0118 0.0448 -0.0342 -0.0552 0.0207 0.0353 -0.0174 0.1369 -0.0362 -0.0038 -0.0201 -0.0157 -0.0187 -0.0046 0.0100 -0.0250 0.0035 0.0103 592. (0.00064) RY ( 4) C 10 s( 4.02%)p10.21( 41.04%)d13.07( 52.50%) f 0.57( 2.31%)g 0.03( 0.14%) 0.0000 0.0024 0.2001 0.0044 0.0102 -0.0016 0.0009 0.0249 -0.1993 -0.3907 -0.0864 0.0120 -0.3047 0.3210 0.1111 -0.0002 0.0101 -0.0378 -0.0048 -0.1601 0.1286 -0.0163 0.0219 0.0309 0.0503 -0.2070 0.1042 -0.0487 -0.1980 -0.6165 -0.0264 0.0416 0.0289 -0.0075 -0.0310 0.0099 0.0861 -0.0389 -0.0385 0.0066 0.0067 0.0873 -0.0440 0.0068 -0.0334 0.0245 0.0023 -0.0130 0.0070 -0.0133 0.0127 0.0034 0.0029 -0.0012 0.0119 -0.0053 -0.0284 593. (0.00037) RY ( 5) C 10 s( 54.40%)p 0.29( 15.57%)d 0.49( 26.83%) f 0.05( 2.95%)g 0.00( 0.25%) 0.0000 -0.0145 0.7040 -0.2190 -0.0093 -0.0115 -0.0004 0.0016 0.1199 -0.0971 0.0843 0.0006 0.2307 -0.0932 -0.0125 0.0136 -0.2248 -0.0927 -0.0582 -0.1880 0.1025 -0.0308 -0.1685 0.0882 -0.0084 -0.1612 0.0996 0.0232 0.0410 0.2004 0.0168 0.3150 -0.0869 0.0015 -0.0500 0.0077 -0.0640 0.0180 0.0736 -0.0191 0.0039 -0.0311 -0.0949 0.0065 0.0679 -0.0289 -0.0332 0.0108 -0.0049 0.0336 0.0144 0.0154 -0.0090 -0.0138 0.0093 0.0013 0.0227 594. (0.00024) RY ( 6) C 10 s( 0.05%)p99.99( 10.40%)d99.99( 16.13%) f99.99( 71.09%)g46.69( 2.33%) 0.0000 0.0002 -0.0133 0.0166 0.0062 0.0023 0.0013 -0.0124 -0.1431 0.0644 0.1389 0.0105 0.1393 -0.0248 -0.1962 0.0026 0.0267 -0.0129 -0.0199 -0.0029 0.0611 0.0221 0.0139 -0.1939 -0.0497 -0.0875 0.2601 0.0590 -0.0224 -0.1565 -0.0321 -0.0202 0.1067 0.0163 0.2390 -0.0712 -0.3757 0.1122 0.4910 -0.1444 -0.1773 0.0565 0.2439 -0.0707 -0.3014 0.0910 -0.1776 0.0561 -0.0601 0.0699 -0.0950 0.0261 -0.0555 0.0378 0.0197 0.0104 -0.0086 595. (0.00014) RY ( 7) C 10 s( 12.37%)p 1.97( 24.39%)d 4.50( 55.72%) f 0.56( 6.87%)g 0.05( 0.65%) 0.0000 0.0076 0.2770 -0.2119 0.0158 0.0417 0.0024 0.0243 -0.2922 -0.0587 0.0006 0.0260 -0.1958 -0.1546 -0.0415 -0.0141 -0.1682 0.2345 0.0793 -0.1948 0.1739 -0.0002 0.3287 0.0231 0.0263 0.4591 -0.0684 0.0294 0.0904 0.0770 -0.0030 -0.3343 0.1931 0.0168 0.1075 -0.0382 -0.1242 -0.0027 -0.1456 0.0089 -0.0409 -0.0074 0.0973 -0.0353 0.0625 -0.0117 -0.0489 0.0105 0.0067 0.0370 -0.0091 0.0236 0.0481 0.0040 0.0370 -0.0271 0.0075 596. (0.00011) RY ( 8) C 10 s( 0.22%)p99.99( 23.61%)d99.99( 68.17%) f34.61( 7.56%)g 2.03( 0.44%) 0.0000 0.0024 0.0388 -0.0015 0.0122 -0.0229 -0.0006 0.0254 -0.0646 -0.3163 0.0706 0.0200 -0.1217 0.0052 -0.0396 0.0005 0.2234 -0.2328 -0.0728 0.0170 -0.2531 -0.0412 0.4322 -0.4122 0.0323 0.1570 -0.1512 0.0490 0.2176 0.0750 0.0396 0.3230 -0.2210 -0.0174 -0.2108 0.0422 -0.1175 0.0606 0.0753 -0.0070 0.0354 -0.0397 0.0289 -0.0086 0.0367 0.0023 -0.0226 -0.0241 -0.0193 -0.0045 -0.0161 -0.0052 -0.0517 -0.0030 -0.0201 0.0258 0.0027 597. (0.00007) RY ( 9) C 10 s( 17.16%)p 2.13( 36.63%)d 2.17( 37.20%) f 0.44( 7.50%)g 0.09( 1.51%) 598. (0.00005) RY (10) C 10 s( 2.91%)p10.58( 30.77%)d16.29( 47.38%) f 6.24( 18.16%)g 0.27( 0.77%) 599. (0.00003) RY (11) C 10 s( 0.75%)p10.84( 8.13%)d99.99( 84.99%) f 7.84( 5.88%)g 0.32( 0.24%) 600. (0.00002) RY (12) C 10 s( 6.07%)p 6.32( 38.36%)d 4.43( 26.90%) f 4.54( 27.61%)g 0.17( 1.06%) 601. (0.00001) RY (13) C 10 s( 6.61%)p 1.38( 9.13%)d 6.27( 41.43%) f 4.66( 30.79%)g 1.82( 12.04%) 602. (0.00001) RY (14) C 10 s( 6.58%)p 1.51( 9.91%)d 4.01( 26.38%) f 7.72( 50.78%)g 0.96( 6.35%) 603. (0.00001) RY (15) C 10 s( 7.86%)p 2.50( 19.69%)d 4.87( 38.28%) f 3.35( 26.34%)g 1.00( 7.84%) 604. (0.00000) RY (16) C 10 s( 9.02%)p 0.48( 4.30%)d 1.99( 17.92%) f 6.19( 55.80%)g 1.44( 12.96%) 605. (0.00000) RY (17) C 10 s( 5.16%)p 0.73( 3.77%)d 5.55( 28.63%) f 2.48( 12.81%)g 9.62( 49.63%) 606. (0.00000) RY (18) C 10 s( 28.24%)p 0.25( 6.94%)d 1.16( 32.83%) f 0.72( 20.40%)g 0.41( 11.59%) 607. (0.00000) RY (19) C 10 s( 19.29%)p 0.47( 9.01%)d 0.66( 12.76%) f 1.06( 20.38%)g 2.00( 38.55%) 608. (0.00000) RY (20) C 10 s( 10.66%)p 0.13( 1.44%)d 0.76( 8.14%) f 1.45( 15.46%)g 6.03( 64.30%) 609. (0.00000) RY (21) C 10 s( 16.50%)p 0.78( 12.82%)d 1.55( 25.57%) f 1.01( 16.67%)g 1.72( 28.45%) 610. (0.00000) RY (22) C 10 s( 13.03%)p 0.58( 7.51%)d 1.82( 23.74%) f 1.83( 23.90%)g 2.44( 31.82%) 611. (0.00000) RY (23) C 10 s( 18.60%)p 0.82( 15.28%)d 1.99( 36.96%) f 0.42( 7.86%)g 1.15( 21.30%) 612. (0.00000) RY (24) C 10 s( 4.20%)p 2.44( 10.26%)d 4.76( 19.97%) f 6.59( 27.67%)g 9.04( 37.91%) 613. (0.00000) RY (25) C 10 s( 1.32%)p21.24( 28.03%)d26.42( 34.87%) f19.01( 25.10%)g 8.09( 10.68%) 614. (0.00000) RY (26) C 10 s( 19.31%)p 0.81( 15.65%)d 2.43( 46.98%) f 0.58( 11.13%)g 0.36( 6.94%) 615. (0.00000) RY (27) C 10 s( 7.08%)p 2.25( 15.90%)d 3.75( 26.53%) f 5.05( 35.74%)g 2.09( 14.76%) 616. (0.00000) RY (28) C 10 s( 2.83%)p14.88( 42.13%)d 8.90( 25.21%) f 6.45( 18.25%)g 4.09( 11.58%) 617. (0.00000) RY (29) C 10 s( 2.26%)p18.05( 40.80%)d 7.73( 17.46%) f 7.31( 16.52%)g10.16( 22.96%) 618. (0.00000) RY (30) C 10 s( 9.43%)p 2.00( 18.85%)d 2.46( 23.23%) f 4.50( 42.48%)g 0.64( 6.01%) 619. (0.00000) RY (31) C 10 s( 9.42%)p 1.55( 14.60%)d 2.92( 27.50%) f 4.14( 38.96%)g 1.01( 9.53%) 620. (0.00000) RY (32) C 10 s( 2.98%)p 3.32( 9.89%)d16.27( 48.49%) f11.91( 35.50%)g 1.05( 3.14%) 621. (0.00000) RY (33) C 10 s( 3.30%)p 8.31( 27.38%)d 8.45( 27.85%) f11.41( 37.61%)g 1.17( 3.86%) 622. (0.00000) RY (34) C 10 s( 3.58%)p 8.47( 30.30%)d 9.41( 33.67%) f 8.39( 30.02%)g 0.68( 2.44%) 623. (0.00000) RY (35) C 10 s( 7.71%)p 2.65( 20.42%)d 5.99( 46.18%) f 3.12( 24.07%)g 0.21( 1.62%) 624. (0.00000) RY (36) C 10 s( 34.63%)p 0.25( 8.55%)d 0.90( 31.01%) f 0.68( 23.55%)g 0.07( 2.26%) 625. (0.00000) RY (37) C 10 s( 5.65%)p 0.75( 4.23%)d 8.65( 48.89%) f 6.12( 34.62%)g 1.17( 6.61%) 626. (0.00000) RY (38) C 10 s( 10.60%)p 1.07( 11.39%)d 3.51( 37.20%) f 3.44( 36.42%)g 0.41( 4.40%) 627. (0.00001) RY (39) C 10 s( 2.87%)p 5.86( 16.83%)d 9.25( 26.55%) f18.45( 52.96%)g 0.27( 0.79%) 628. (0.00000) RY (40) C 10 s( 80.18%)p 0.00( 0.23%)d 0.03( 2.25%) f 0.12( 9.56%)g 0.10( 7.78%) 629. (0.00000) RY (41) C 10 s( 0.63%)p 0.45( 0.28%)d 7.01( 4.42%) f15.06( 9.49%)g99.99( 85.19%) 630. (0.00000) RY (42) C 10 s( 0.34%)p 3.36( 1.15%)d34.48( 11.78%) f99.99( 68.84%)g52.40( 17.90%) 631. (0.00000) RY (43) C 10 s( 4.87%)p 0.12( 0.60%)d 5.56( 27.10%) f10.98( 53.50%)g 2.86( 13.94%) 632. (0.00000) RY (44) C 10 s( 4.74%)p 0.40( 1.88%)d 2.56( 12.14%) f13.56( 64.31%)g 3.57( 16.93%) 633. (0.00000) RY (45) C 10 s( 5.43%)p 0.24( 1.33%)d 1.88( 10.24%) f 8.04( 43.70%)g 7.23( 39.30%) 634. (0.00000) RY (46) C 10 s( 0.64%)p 2.32( 1.49%)d17.59( 11.33%) f43.02( 27.71%)g91.35( 58.83%) 635. (0.00000) RY (47) C 10 s( 6.81%)p 0.13( 0.90%)d 4.34( 29.55%) f 3.17( 21.59%)g 6.04( 41.15%) 636. (0.00000) RY (48) C 10 s( 1.40%)p 0.90( 1.27%)d21.04( 29.49%) f31.83( 44.62%)g16.56( 23.21%) 637. (0.00000) RY (49) C 10 s( 8.05%)p 0.17( 1.36%)d 3.30( 26.58%) f 4.29( 34.54%)g 3.66( 29.48%) 638. (0.00000) RY (50) C 10 s( 14.87%)p 0.05( 0.74%)d 1.92( 28.53%) f 1.33( 19.85%)g 2.42( 36.01%) 639. (0.00000) RY (51) C 10 s( 0.88%)p 1.37( 1.21%)d 4.82( 4.24%) f37.16( 32.65%)g69.46( 61.03%) 640. (0.00000) RY (52) C 10 s( 0.98%)p 6.77( 6.62%)d22.60( 22.11%) f40.11( 39.24%)g31.75( 31.05%) 641. (0.00035) RY ( 1) H 11 s( 69.11%)p 0.37( 25.82%)d 0.07( 4.94%) f 0.00( 0.13%) -0.0078 0.7747 -0.3014 -0.0063 0.2865 0.0946 0.0162 -0.3706 0.0716 0.0256 -0.1391 -0.0479 -0.0463 0.0138 -0.0120 -0.0068 -0.0112 -0.1547 0.0380 0.0013 -0.0054 0.1532 -0.0003 0.0274 -0.0036 0.0227 -0.0058 -0.0023 -0.0026 0.0035 642. (0.00027) RY ( 2) H 11 s( 80.11%)p 0.19( 15.43%)d 0.05( 4.26%) f 0.00( 0.19%) 0.0056 0.4538 0.7715 0.0043 -0.0584 -0.0637 0.0208 0.0846 -0.0792 -0.0333 0.1614 0.3217 -0.0485 -0.0247 0.0038 -0.0117 0.0039 0.1597 -0.0144 0.1262 0.0069 0.0124 0.0000 0.0155 -0.0254 -0.0045 -0.0266 -0.0091 0.0116 -0.0094 643. (0.00018) RY ( 3) H 11 s( 1.88%)p35.44( 66.74%)d15.27( 28.75%) f 1.39( 2.62%) -0.0026 0.1268 -0.0497 -0.0166 -0.7390 -0.1631 0.1260 -0.1748 0.0616 0.0446 -0.1987 -0.0518 0.0180 -0.0688 -0.0017 -0.4737 0.0572 -0.1684 0.0280 0.1240 -0.0181 -0.0985 0.0240 -0.0624 -0.1302 -0.0166 0.0583 -0.0373 0.0003 0.0178 644. (0.00009) RY ( 4) H 11 s( 21.62%)p 1.85( 40.06%)d 1.76( 38.08%) f 0.01( 0.23%) 645. (0.00005) RY ( 5) H 11 s( 4.02%)p20.10( 80.79%)d 3.30( 13.28%) f 0.48( 1.92%) 646. (0.00002) RY ( 6) H 11 s( 0.49%)p99.99( 53.44%)d89.12( 43.79%) f 4.64( 2.28%) 647. (0.00001) RY ( 7) H 11 s( 15.45%)p 3.25( 50.22%)d 1.90( 29.29%) f 0.33( 5.04%) 648. (0.00000) RY ( 8) H 11 s( 3.41%)p16.25( 55.48%)d 6.98( 23.83%) f 5.06( 17.27%) 649. (0.00000) RY ( 9) H 11 s( 9.38%)p 4.70( 44.15%)d 4.49( 42.11%) f 0.46( 4.35%) 650. (0.00000) RY (10) H 11 s( 0.12%)p99.99( 40.60%)d99.99( 31.98%) f99.99( 27.31%) 651. (0.00000) RY (11) H 11 s( 0.05%)p99.99( 6.51%)d99.99( 32.23%) f99.99( 61.21%) 652. (0.00000) RY (12) H 11 s( 0.40%)p73.32( 29.35%)d63.10( 25.26%) f99.99( 44.99%) 653. (0.00000) RY (13) H 11 s( 0.31%)p99.99( 59.17%)d99.99( 31.37%) f29.63( 9.15%) 654. (0.00000) RY (14) H 11 s( 0.14%)p99.99( 28.00%)d67.14( 9.42%) f99.99( 62.43%) 655. (0.00000) RY (15) H 11 s( 3.43%)p 2.03( 6.95%)d 6.39( 21.91%) f19.74( 67.71%) 656. (0.00000) RY (16) H 11 s( 0.31%)p99.99( 34.37%)d99.99( 39.98%) f81.69( 25.34%) 657. (0.00000) RY (17) H 11 s( 37.59%)p 0.28( 10.63%)d 0.70( 26.23%) f 0.68( 25.55%) 658. (0.00000) RY (18) H 11 s( 4.40%)p11.24( 49.41%)d 5.07( 22.27%) f 5.44( 23.92%) 659. (0.00000) RY (19) H 11 s( 7.87%)p 4.97( 39.11%)d 0.93( 7.33%) f 5.81( 45.70%) 660. (0.00000) RY (20) H 11 s( 5.10%)p 8.15( 41.53%)d 6.50( 33.14%) f 3.97( 20.23%) 661. (0.00000) RY (21) H 11 s( 12.38%)p 1.98( 24.49%)d 3.88( 48.07%) f 1.22( 15.06%) 662. (0.00000) RY (22) H 11 s( 2.25%)p 7.45( 16.76%)d33.74( 75.93%) f 2.25( 5.06%) 663. (0.00000) RY (23) H 11 s( 19.83%)p 1.17( 23.25%)d 2.45( 48.56%) f 0.42( 8.36%) 664. (0.00000) RY (24) H 11 s( 0.03%)p99.99( 4.08%)d99.99( 90.29%) f99.99( 5.61%) 665. (0.00000) RY (25) H 11 s( 0.19%)p99.99( 21.92%)d99.99( 46.40%) f99.99( 31.49%) 666. (0.00000) RY (26) H 11 s( 0.02%)p99.99( 7.25%)d99.99( 82.18%) f99.99( 10.55%) 667. (0.00000) RY (27) H 11 s( 0.08%)p18.99( 1.56%)d97.07( 7.97%) f99.99( 90.39%) 668. (0.00000) RY (28) H 11 s( 0.07%)p99.99( 14.12%)d99.99( 30.56%) f99.99( 55.26%) 669. (0.00000) RY (29) H 11 s( 0.09%)p94.49( 8.69%)d99.99( 60.57%) f99.99( 30.65%) 670. (0.00032) RY ( 1) H 12 s( 62.29%)p 0.45( 28.17%)d 0.15( 9.40%) f 0.00( 0.14%) -0.0106 0.7458 0.2577 -0.0113 -0.2352 -0.2602 0.0252 -0.2400 0.1989 0.0710 -0.1475 -0.1842 0.0109 -0.2246 0.0400 0.1198 0.0039 -0.1525 0.0239 0.0051 -0.0035 -0.0608 -0.0062 0.0193 0.0011 0.0151 -0.0094 0.0084 0.0198 0.0162 671. (0.00021) RY ( 2) H 12 s( 83.42%)p 0.13( 10.58%)d 0.07( 5.61%) f 0.00( 0.38%) -0.0054 -0.4248 0.8084 -0.0130 -0.1164 0.1062 -0.0681 -0.2423 0.0833 0.0393 0.0056 0.0789 -0.0540 -0.1021 0.0362 0.1367 0.0062 -0.0633 0.0175 0.1390 0.0047 0.0437 -0.0096 -0.0353 0.0111 0.0043 0.0384 0.0180 0.0107 0.0225 672. (0.00017) RY ( 3) H 12 s( 0.32%)p99.99( 64.80%)d98.89( 32.00%) f 8.89( 2.88%) -0.0005 0.0442 -0.0358 0.0007 -0.3899 -0.0901 0.0886 0.0596 0.0075 -0.0162 0.6690 0.1031 -0.1339 -0.0085 -0.0036 0.2757 -0.0346 0.1116 -0.0053 -0.2665 0.0299 0.3943 -0.0538 0.0164 0.1495 0.0285 0.0172 0.0320 -0.0618 -0.0134 673. (0.00008) RY ( 4) H 12 s( 26.11%)p 1.46( 38.19%)d 1.36( 35.63%) f 0.00( 0.07%) 674. (0.00006) RY ( 5) H 12 s( 1.35%)p66.49( 89.72%)d 5.50( 7.42%) f 1.12( 1.51%) 675. (0.00001) RY ( 6) H 12 s( 7.28%)p 8.91( 64.84%)d 3.14( 22.87%) f 0.69( 5.01%) 676. (0.00001) RY ( 7) H 12 s( 4.56%)p11.85( 54.00%)d 8.58( 39.11%) f 0.51( 2.34%) 677. (0.00000) RY ( 8) H 12 s( 14.02%)p 2.53( 35.54%)d 3.19( 44.70%) f 0.41( 5.74%) 678. (0.00000) RY ( 9) H 12 s( 2.32%)p19.76( 45.90%)d 9.09( 21.12%) f13.19( 30.65%) 679. (0.00000) RY (10) H 12 s( 6.93%)p 7.94( 55.02%)d 3.81( 26.41%) f 1.68( 11.63%) 680. (0.00000) RY (11) H 12 s( 0.66%)p39.73( 26.35%)d25.43( 16.87%) f84.63( 56.12%) 681. (0.00000) RY (12) H 12 s( 0.71%)p 9.67( 6.90%)d24.93( 17.80%) f99.99( 74.58%) 682. (0.00000) RY (13) H 12 s( 0.08%)p99.99( 24.71%)d99.99( 35.76%) f99.99( 39.46%) 683. (0.00000) RY (14) H 12 s( 0.35%)p99.99( 46.10%)d94.37( 32.91%) f59.16( 20.63%) 684. (0.00000) RY (15) H 12 s( 1.95%)p18.58( 36.20%)d14.62( 28.49%) f17.12( 33.35%) 685. (0.00000) RY (16) H 12 s( 0.34%)p48.03( 16.23%)d55.41( 18.73%) f99.99( 64.70%) 686. (0.00000) RY (17) H 12 s( 2.05%)p26.87( 55.14%)d 5.60( 11.50%) f15.26( 31.31%) 687. (0.00000) RY (18) H 12 s( 16.22%)p 1.22( 19.85%)d 1.45( 23.47%) f 2.50( 40.46%) 688. (0.00000) RY (19) H 12 s( 15.57%)p 2.24( 34.82%)d 1.52( 23.64%) f 1.67( 25.97%) 689. (0.00000) RY (20) H 12 s( 8.92%)p 3.21( 28.64%)d 5.83( 52.04%) f 1.17( 10.40%) 690. (0.00000) RY (21) H 12 s( 4.55%)p 8.39( 38.20%)d 9.68( 44.07%) f 2.89( 13.18%) 691. (0.00000) RY (22) H 12 s( 30.46%)p 0.44( 13.47%)d 1.65( 50.25%) f 0.19( 5.82%) 692. (0.00000) RY (23) H 12 s( 9.17%)p 1.62( 14.87%)d 7.82( 71.68%) f 0.47( 4.28%) 693. (0.00000) RY (24) H 12 s( 0.02%)p99.99( 1.81%)d99.99( 67.48%) f99.99( 30.69%) 694. (0.00000) RY (25) H 12 s( 0.00%)p 1.00( 5.93%)d 4.46( 26.43%) f11.41( 67.64%) 695. (0.00000) RY (26) H 12 s( 0.02%)p99.99( 16.90%)d99.99( 65.95%) f99.99( 17.13%) 696. (0.00000) RY (27) H 12 s( 0.03%)p99.99( 13.48%)d99.99( 30.84%) f99.99( 55.65%) 697. (0.00000) RY (28) H 12 s( 0.18%)p37.16( 6.65%)d99.99( 70.40%) f99.99( 22.76%) 698. (0.00000) RY (29) H 12 s( 0.23%)p29.65( 6.86%)d99.99( 67.39%) f99.99( 25.52%) 699. (0.00032) RY ( 1) H 13 s( 62.09%)p 0.47( 29.04%)d 0.14( 8.73%) f 0.00( 0.14%) -0.0113 0.7430 0.2618 -0.0099 -0.2367 -0.2414 0.0234 -0.1620 0.2470 0.0577 0.2360 0.1667 -0.0388 -0.2165 0.0278 -0.0668 -0.0146 0.1372 -0.0272 -0.0714 0.0038 -0.1009 0.0090 -0.0270 -0.0056 -0.0016 -0.0031 -0.0034 0.0207 0.0146 700. (0.00021) RY ( 2) H 13 s( 79.42%)p 0.16( 12.45%)d 0.10( 7.72%) f 0.01( 0.41%) -0.0064 -0.4526 0.7675 -0.0148 -0.1511 0.0631 -0.0537 -0.2456 0.0883 0.0651 0.0740 -0.1212 0.0476 -0.1453 0.0319 -0.1202 -0.0179 0.1760 -0.0257 0.0810 0.0111 0.0434 0.0061 0.0102 0.0502 0.0079 -0.0373 -0.0014 0.0039 0.0043 701. (0.00017) RY ( 3) H 13 s( 0.71%)p89.96( 64.31%)d44.81( 32.03%) f 4.12( 2.94%) 0.0002 -0.0443 0.0718 -0.0053 0.5040 0.0984 -0.1124 0.1229 0.0653 -0.0121 0.5739 0.0708 -0.1138 0.0332 0.0025 0.0410 -0.0111 -0.0314 0.0123 0.2951 -0.0322 -0.4740 0.0591 0.0957 -0.1152 0.0131 -0.0467 -0.0255 0.0622 0.0118 702. (0.00008) RY ( 4) H 13 s( 27.74%)p 1.33( 36.89%)d 1.27( 35.29%) f 0.00( 0.08%) 703. (0.00005) RY ( 5) H 13 s( 1.60%)p55.62( 89.01%)d 4.87( 7.79%) f 1.00( 1.60%) 704. (0.00001) RY ( 6) H 13 s( 10.80%)p 5.87( 63.43%)d 1.74( 18.81%) f 0.64( 6.96%) 705. (0.00001) RY ( 7) H 13 s( 3.03%)p18.82( 57.04%)d12.94( 39.21%) f 0.24( 0.72%) 706. (0.00000) RY ( 8) H 13 s( 24.82%)p 1.09( 27.16%)d 1.58( 39.12%) f 0.36( 8.91%) 707. (0.00000) RY ( 9) H 13 s( 7.67%)p 6.27( 48.10%)d 2.60( 19.93%) f 3.17( 24.31%) 708. (0.00000) RY (10) H 13 s( 6.70%)p 7.20( 48.29%)d 4.95( 33.17%) f 1.77( 11.84%) 709. (0.00000) RY (11) H 13 s( 0.08%)p99.99( 26.96%)d99.99( 20.01%) f99.99( 52.95%) 710. (0.00000) RY (12) H 13 s( 0.32%)p50.72( 16.39%)d85.07( 27.48%) f99.99( 55.81%) 711. (0.00000) RY (13) H 13 s( 0.08%)p99.99( 42.64%)d99.99( 28.87%) f99.99( 28.41%) 712. (0.00000) RY (14) H 13 s( 0.23%)p99.99( 42.17%)d99.99( 27.40%) f99.99( 30.20%) 713. (0.00000) RY (15) H 13 s( 0.16%)p99.99( 23.73%)d88.11( 14.33%) f99.99( 61.79%) 714. (0.00000) RY (16) H 13 s( 3.47%)p16.40( 56.89%)d 2.95( 10.23%) f 8.48( 29.41%) 715. (0.00000) RY (17) H 13 s( 10.69%)p 1.83( 19.61%)d 2.25( 24.07%) f 4.27( 45.62%) 716. (0.00000) RY (18) H 13 s( 17.56%)p 1.88( 32.97%)d 1.70( 29.86%) f 1.12( 19.61%) 717. (0.00000) RY (19) H 13 s( 15.10%)p 1.08( 16.32%)d 4.06( 61.31%) f 0.48( 7.27%) 718. (0.00000) RY (20) H 13 s( 5.83%)p 7.00( 40.83%)d 6.64( 38.73%) f 2.50( 14.60%) 719. (0.00000) RY (21) H 13 s( 14.14%)p 1.88( 26.56%)d 3.13( 44.22%) f 1.07( 15.09%) 720. (0.00000) RY (22) H 13 s( 6.99%)p 2.00( 14.01%)d10.59( 73.99%) f 0.72( 5.01%) 721. (0.00000) RY (23) H 13 s( 0.02%)p43.27( 0.81%)d99.99( 84.24%) f99.99( 14.93%) 722. (0.00000) RY (24) H 13 s( 0.14%)p19.93( 2.78%)d99.99( 80.52%) f99.99( 16.56%) 723. (0.00000) RY (25) H 13 s( 0.02%)p99.99( 13.11%)d99.99( 57.60%) f99.99( 29.27%) 724. (0.00000) RY (26) H 13 s( 0.12%)p14.06( 1.68%)d99.99( 16.67%) f99.99( 81.53%) 725. (0.00000) RY (27) H 13 s( 0.04%)p99.99( 27.04%)d99.99( 36.91%) f99.99( 36.00%) 726. (0.00000) RY (28) H 13 s( 0.37%)p26.51( 9.76%)d74.27( 27.33%) f99.99( 62.54%) 727. (0.00000) RY (29) H 13 s( 0.18%)p55.13( 9.93%)d99.99( 54.42%) f99.99( 35.47%) 728. (0.00048) RY ( 1) H 14 s( 74.62%)p 0.31( 22.90%)d 0.03( 2.42%) f 0.00( 0.06%) -0.0071 0.8566 -0.1113 -0.0038 0.3063 0.1199 0.0280 -0.2873 0.0515 0.0237 0.1818 0.0094 0.0338 0.0474 -0.0120 0.0305 0.0118 0.1352 -0.0243 -0.0255 0.0074 0.0321 0.0101 -0.0202 -0.0131 -0.0007 -0.0041 -0.0007 -0.0013 0.0033 729. (0.00026) RY ( 2) H 14 s( 79.20%)p 0.20( 16.09%)d 0.06( 4.51%) f 0.00( 0.21%) 0.0055 0.2578 0.8518 0.0044 -0.1574 -0.1243 0.0343 0.0476 -0.1850 -0.0185 -0.1278 -0.2525 0.0503 -0.0381 0.0036 0.0349 -0.0096 -0.0924 0.0142 0.1749 -0.0018 0.0542 -0.0034 0.0099 -0.0396 -0.0003 0.0130 -0.0039 0.0145 0.0001 730. (0.00019) RY ( 3) H 14 s( 2.10%)p33.36( 70.10%)d12.10( 25.42%) f 1.13( 2.38%) -0.0020 0.1129 -0.0903 -0.0104 -0.6904 -0.1539 0.1029 -0.1195 0.0564 0.0232 0.4011 0.0930 -0.0509 0.0879 -0.0186 0.3453 -0.0338 0.0739 -0.0093 0.1351 -0.0219 -0.3148 0.0488 0.1115 -0.0551 0.0153 -0.0845 -0.0213 -0.0193 -0.0088 731. (0.00010) RY ( 4) H 14 s( 17.31%)p 2.69( 46.51%)d 2.08( 36.00%) f 0.01( 0.18%) 0.0007 -0.2830 0.2978 -0.0656 0.0303 -0.0008 -0.0813 -0.5916 0.2924 0.1207 -0.0299 0.0404 -0.0706 0.2009 -0.0355 -0.0640 0.0072 0.5420 -0.0789 -0.1067 0.0274 0.0460 0.0020 -0.0261 0.0242 -0.0056 0.0138 -0.0070 -0.0037 0.0165 732. (0.00004) RY ( 5) H 14 s( 4.56%)p16.94( 77.22%)d 3.45( 15.71%) f 0.55( 2.50%) 733. (0.00002) RY ( 6) H 14 s( 1.31%)p40.97( 53.55%)d32.84( 42.92%) f 1.70( 2.22%) 734. (0.00001) RY ( 7) H 14 s( 14.95%)p 3.65( 54.52%)d 1.76( 26.32%) f 0.28( 4.21%) 735. (0.00001) RY ( 8) H 14 s( 6.35%)p 9.88( 62.71%)d 4.25( 26.99%) f 0.62( 3.95%) 736. (0.00000) RY ( 9) H 14 s( 1.20%)p32.38( 38.98%)d33.58( 40.43%) f16.10( 19.38%) 737. (0.00000) RY (10) H 14 s( 7.40%)p 6.74( 49.93%)d 4.35( 32.17%) f 1.42( 10.50%) 738. (0.00000) RY (11) H 14 s( 0.03%)p99.99( 16.90%)d99.99( 66.20%) f99.99( 16.86%) 739. (0.00000) RY (12) H 14 s( 0.69%)p64.78( 44.60%)d43.39( 29.87%) f36.09( 24.84%) 740. (0.00000) RY (13) H 14 s( 0.37%)p61.91( 22.63%)d12.43( 4.54%) f99.99( 72.46%) 741. (0.00000) RY (14) H 14 s( 1.53%)p30.83( 47.28%)d26.06( 39.96%) f 7.32( 11.23%) 742. (0.00000) RY (15) H 14 s( 2.15%)p17.41( 37.40%)d16.71( 35.89%) f11.43( 24.56%) 743. (0.00000) RY (16) H 14 s( 4.62%)p 2.43( 11.21%)d 6.17( 28.52%) f12.04( 55.64%) 744. (0.00000) RY (17) H 14 s( 32.75%)p 0.30( 9.90%)d 0.87( 28.53%) f 0.88( 28.82%) 745. (0.00000) RY (18) H 14 s( 3.54%)p 9.33( 32.99%)d 2.64( 9.34%) f15.30( 54.13%) 746. (0.00000) RY (19) H 14 s( 5.93%)p 7.81( 46.32%)d 2.86( 16.97%) f 5.19( 30.79%) 747. (0.00000) RY (20) H 14 s( 11.54%)p 2.65( 30.63%)d 4.23( 48.76%) f 0.79( 9.07%) 748. (0.00000) RY (21) H 14 s( 13.04%)p 2.37( 30.84%)d 3.41( 44.42%) f 0.90( 11.70%) 749. (0.00000) RY (22) H 14 s( 7.07%)p 1.58( 11.19%)d10.80( 76.35%) f 0.76( 5.40%) 750. (0.00000) RY (23) H 14 s( 6.72%)p 2.80( 18.80%)d 7.03( 47.29%) f 4.04( 27.19%) 751. (0.00000) RY (24) H 14 s( 0.07%)p83.06( 5.86%)d99.99( 77.79%) f99.99( 16.28%) 752. (0.00000) RY (25) H 14 s( 0.06%)p99.99( 16.55%)d99.99( 59.66%) f99.99( 23.73%) 753. (0.00000) RY (26) H 14 s( 0.35%)p 9.91( 3.52%)d99.99( 52.56%) f99.99( 43.57%) 754. (0.00000) RY (27) H 14 s( 0.02%)p99.99( 3.44%)d99.99( 54.36%) f99.99( 42.18%) 755. (0.00000) RY (28) H 14 s( 0.01%)p 1.00( 10.21%)d 1.50( 15.31%) f 7.29( 74.47%) 756. (0.00000) RY (29) H 14 s( 0.63%)p11.25( 7.10%)d17.05( 10.77%) f99.99( 81.49%) 757. (0.00088) RY ( 1) H 15 s( 92.11%)p 0.08( 7.13%)d 0.01( 0.75%) f 0.00( 0.01%) 0.0026 0.9595 0.0208 0.0009 -0.2200 -0.0891 -0.0481 0.1008 -0.0008 -0.0155 -0.0463 -0.0111 0.0030 -0.0789 0.0158 0.0167 -0.0035 0.0165 -0.0015 -0.0203 0.0006 -0.0056 -0.0011 0.0018 0.0037 -0.0006 0.0019 0.0007 -0.0066 -0.0027 758. (0.00028) RY ( 2) H 15 s( 80.50%)p 0.18( 14.73%)d 0.06( 4.56%) f 0.00( 0.21%) 0.0053 -0.1016 0.8915 0.0043 -0.1585 -0.2500 0.0616 0.1761 -0.1329 -0.0155 0.0446 0.0701 -0.0057 -0.1407 0.0193 0.0061 0.0008 0.0533 -0.0027 0.1280 -0.0036 0.0784 0.0026 -0.0158 0.0391 -0.0032 0.0116 0.0115 0.0065 -0.0002 759. (0.00023) RY ( 3) H 15 s( 1.14%)p68.21( 78.07%)d16.50( 18.89%) f 1.66( 1.90%) 0.0003 -0.0261 0.1037 0.0023 -0.0696 -0.0615 0.0070 -0.3051 0.0076 0.0220 -0.7986 -0.1934 0.0575 0.1449 -0.0252 0.3907 -0.0506 -0.0050 -0.0011 0.0689 0.0025 -0.0846 0.0090 0.0805 0.0449 0.0075 -0.0981 0.0042 -0.0244 -0.0146 760. (0.00019) RY ( 4) H 15 s( 7.10%)p10.00( 70.99%)d 3.03( 21.54%) f 0.05( 0.37%) -0.0012 0.1268 0.2313 -0.0376 0.0260 -0.0677 -0.0396 -0.7603 0.1868 0.0578 0.2926 0.0231 -0.0249 0.4023 -0.0745 -0.2042 0.0251 -0.0222 0.0112 0.0413 0.0205 -0.0535 -0.0029 -0.0225 0.0065 0.0004 0.0344 -0.0020 -0.0370 0.0245 761. (0.00003) RY ( 5) H 15 s( 1.61%)p33.60( 54.15%)d24.99( 40.28%) f 2.45( 3.95%) 762. (0.00002) RY ( 6) H 15 s( 2.27%)p27.17( 61.56%)d13.07( 29.63%) f 2.89( 6.55%) 763. (0.00002) RY ( 7) H 15 s( 10.54%)p 3.18( 33.55%)d 5.15( 54.26%) f 0.16( 1.65%) 764. (0.00001) RY ( 8) H 15 s( 6.97%)p 9.46( 65.92%)d 3.27( 22.80%) f 0.62( 4.31%) 765. (0.00001) RY ( 9) H 15 s( 5.79%)p 7.31( 42.30%)d 6.33( 36.62%) f 2.64( 15.30%) 766. (0.00000) RY (10) H 15 s( 2.54%)p22.64( 57.59%)d 9.08( 23.09%) f 6.59( 16.77%) 767. (0.00000) RY (11) H 15 s( 1.18%)p29.39( 34.55%)d52.38( 61.59%) f 2.29( 2.69%) 768. (0.00000) RY (12) H 15 s( 0.08%)p99.99( 42.13%)d99.99( 36.27%) f99.99( 21.51%) 769. (0.00000) RY (13) H 15 s( 0.01%)p99.99( 26.59%)d99.99( 21.61%) f99.99( 51.79%) 770. (0.00000) RY (14) H 15 s( 0.11%)p99.99( 26.45%)d99.99( 25.27%) f99.99( 48.18%) 771. (0.00000) RY (15) H 15 s( 0.05%)p99.99( 6.13%)d99.99( 76.37%) f99.99( 17.45%) 772. (0.00000) RY (16) H 15 s( 2.89%)p11.87( 34.26%)d 5.02( 14.49%) f16.75( 48.36%) 773. (0.00000) RY (17) H 15 s( 7.62%)p 1.66( 12.62%)d 2.88( 21.93%) f 7.59( 57.84%) 774. (0.00000) RY (18) H 15 s( 7.18%)p 4.84( 34.74%)d 3.81( 27.33%) f 4.28( 30.75%) 775. (0.00000) RY (19) H 15 s( 0.16%)p99.99( 29.28%)d99.99( 57.56%) f79.86( 13.00%) 776. (0.00000) RY (20) H 15 s( 26.47%)p 1.15( 30.41%)d 1.21( 31.92%) f 0.42( 11.19%) 777. (0.00000) RY (21) H 15 s( 2.37%)p17.01( 40.31%)d18.30( 43.37%) f 5.88( 13.94%) 778. (0.00000) RY (22) H 15 s( 40.68%)p 0.48( 19.34%)d 0.47( 19.22%) f 0.51( 20.75%) 779. (0.00000) RY (23) H 15 s( 0.00%)p 1.00( 0.46%)d36.67( 16.94%) f99.99( 82.60%) 780. (0.00000) RY (24) H 15 s( 0.06%)p99.99( 5.97%)d99.99( 63.58%) f99.99( 30.39%) 781. (0.00000) RY (25) H 15 s( 0.03%)p99.99( 12.82%)d99.99( 36.84%) f99.99( 50.31%) 782. (0.00000) RY (26) H 15 s( 0.05%)p99.99( 20.73%)d99.99( 65.76%) f99.99( 13.45%) 783. (0.00000) RY (27) H 15 s( 0.01%)p99.99( 3.24%)d99.99( 74.52%) f99.99( 22.24%) 784. (0.00000) RY (28) H 15 s( 0.57%)p19.39( 11.12%)d57.58( 33.01%) f96.48( 55.30%) 785. (0.00000) RY (29) H 15 s( 0.02%)p99.99( 22.76%)d99.99( 19.99%) f99.99( 57.23%) 786. (0.00037) RY ( 1) H 16 s( 48.85%)p 0.86( 41.90%)d 0.19( 9.20%) f 0.00( 0.06%) -0.0118 -0.2904 0.6356 -0.0108 0.5904 0.0823 -0.0237 0.0983 -0.2218 -0.0267 0.0250 0.0526 0.0047 -0.0186 -0.0039 -0.0032 0.0037 -0.0853 0.0063 -0.2689 0.0466 -0.0986 -0.0073 -0.0052 -0.0097 0.0041 -0.0053 -0.0046 -0.0010 0.0196 787. (0.00027) RY ( 2) H 16 s( 83.00%)p 0.18( 14.73%)d 0.03( 2.09%) f 0.00( 0.18%) 0.0013 0.8565 0.3106 -0.0017 0.1497 -0.0787 0.0551 0.2311 0.2401 -0.0447 -0.0241 -0.0437 0.0111 -0.1373 0.0024 0.0215 0.0004 0.0051 0.0032 -0.0153 0.0104 0.0340 0.0036 0.0149 0.0285 -0.0246 0.0052 0.0091 -0.0007 0.0065 788. (0.00019) RY ( 3) H 16 s( 0.02%)p99.99( 73.59%)d99.99( 23.95%) f97.87( 2.43%) -0.0001 0.0074 0.0138 -0.0018 0.0477 0.0040 -0.0051 -0.1511 -0.0313 0.0186 -0.8233 -0.1449 0.1035 0.0751 -0.0103 0.3344 -0.0422 -0.3154 0.0413 0.0385 -0.0050 0.1310 -0.0176 0.0875 -0.0443 0.0484 -0.0171 0.1063 -0.0262 -0.0073 789. (0.00007) RY ( 4) H 16 s( 32.51%)p 1.11( 36.05%)d 0.96( 31.14%) f 0.01( 0.30%) 790. (0.00006) RY ( 5) H 16 s( 4.54%)p16.31( 74.04%)d 4.31( 19.56%) f 0.41( 1.85%) 791. (0.00002) RY ( 6) H 16 s( 0.04%)p99.99( 44.77%)d99.99( 53.04%) f59.73( 2.15%) 792. (0.00001) RY ( 7) H 16 s( 13.99%)p 4.53( 63.32%)d 1.24( 17.40%) f 0.38( 5.29%) 793. (0.00000) RY ( 8) H 16 s( 0.15%)p99.99( 36.20%)d99.99( 26.89%) f99.99( 36.76%) 794. (0.00000) RY ( 9) H 16 s( 7.24%)p 6.52( 47.23%)d 6.03( 43.66%) f 0.26( 1.87%) 795. (0.00000) RY (10) H 16 s( 0.86%)p12.00( 10.35%)d23.90( 20.60%) f79.10( 68.19%) 796. (0.00000) RY (11) H 16 s( 3.10%)p16.52( 51.29%)d 5.43( 16.86%) f 9.26( 28.75%) 797. (0.00000) RY (12) H 16 s( 0.00%)p 1.00( 14.03%)d 0.24( 3.43%) f 5.88( 82.54%) 798. (0.00000) RY (13) H 16 s( 10.23%)p 0.84( 8.61%)d 4.19( 42.89%) f 3.74( 38.27%) 799. (0.00000) RY (14) H 16 s( 0.06%)p99.99( 25.54%)d99.99( 51.09%) f99.99( 23.30%) 800. (0.00000) RY (15) H 16 s( 13.25%)p 1.50( 19.91%)d 0.59( 7.87%) f 4.45( 58.98%) 801. (0.00000) RY (16) H 16 s( 27.32%)p 1.08( 29.40%)d 0.66( 17.95%) f 0.93( 25.33%) 802. (0.00000) RY (17) H 16 s( 0.10%)p99.99( 64.12%)d97.79( 9.34%) f99.99( 26.44%) 803. (0.00000) RY (18) H 16 s( 4.92%)p 7.60( 37.37%)d 8.19( 40.25%) f 3.55( 17.46%) 804. (0.00000) RY (19) H 16 s( 34.07%)p 1.10( 37.59%)d 0.70( 23.77%) f 0.13( 4.57%) 805. (0.00000) RY (20) H 16 s( 6.21%)p 7.07( 43.93%)d 6.23( 38.71%) f 1.79( 11.14%) 806. (0.00000) RY (21) H 16 s( 7.61%)p 0.90( 6.84%)d10.15( 77.22%) f 1.09( 8.33%) 807. (0.00000) RY (22) H 16 s( 0.13%)p38.94( 4.94%)d99.99( 72.11%) f99.99( 22.82%) 808. (0.00000) RY (23) H 16 s( 0.45%)p37.06( 16.80%)d99.99( 65.37%) f38.31( 17.37%) 809. (0.00000) RY (24) H 16 s( 0.12%)p72.64( 8.57%)d99.99( 82.98%) f70.73( 8.34%) 810. (0.00000) RY (25) H 16 s( 0.14%)p47.30( 6.60%)d99.99( 38.89%) f99.99( 54.36%) 811. (0.00000) RY (26) H 16 s( 0.52%)p 8.61( 4.45%)d99.99( 68.96%) f50.48( 26.07%) 812. (0.00000) RY (27) H 16 s( 0.11%)p99.99( 30.12%)d99.99( 49.01%) f99.99( 20.77%) 813. (0.00000) RY (28) H 16 s( 0.54%)p18.34( 9.85%)d27.29( 14.66%) f99.99( 74.95%) 814. (0.00000) RY (29) H 16 s( 0.04%)p99.99( 37.74%)d99.99( 31.09%) f99.99( 31.12%) 815. (0.00037) RY ( 1) H 17 s( 70.25%)p 0.36( 25.43%)d 0.06( 4.18%) f 0.00( 0.14%) -0.0086 0.8012 -0.2459 -0.0084 0.4361 -0.0074 -0.0014 0.0234 -0.1451 -0.0492 -0.1962 -0.0178 -0.0360 0.0126 -0.0107 0.0773 -0.0319 0.1580 -0.0122 -0.0813 0.0157 0.0491 0.0122 0.0251 -0.0199 0.0130 0.0020 -0.0102 0.0000 0.0077 816. (0.00026) RY ( 2) H 17 s( 69.49%)p 0.33( 22.64%)d 0.11( 7.63%) f 0.00( 0.24%) 0.0060 0.4650 0.6918 0.0090 -0.2217 0.0173 0.0595 -0.0147 0.2612 0.0071 0.1408 0.2882 -0.0447 -0.1869 0.0039 -0.1277 0.0237 -0.1152 0.0128 0.0880 -0.0127 0.0557 -0.0022 -0.0157 -0.0287 0.0302 -0.0026 0.0081 -0.0097 -0.0167 817. (0.00018) RY ( 3) H 17 s( 1.36%)p50.54( 68.48%)d20.35( 27.57%) f 1.91( 2.59%) -0.0028 0.0844 -0.0786 -0.0153 -0.4299 -0.1525 0.0591 0.5120 0.0767 -0.0898 -0.4220 -0.1256 0.0575 -0.1885 0.0264 -0.1853 0.0190 0.2607 -0.0259 -0.0628 0.0156 -0.3592 0.0542 -0.1242 -0.0334 0.0142 -0.0073 -0.0912 0.0243 0.0150 818. (0.00008) RY ( 4) H 17 s( 28.17%)p 1.15( 32.39%)d 1.40( 39.36%) f 0.00( 0.08%) 819. (0.00003) RY ( 5) H 17 s( 4.73%)p15.19( 71.92%)d 4.31( 20.38%) f 0.63( 2.97%) 820. (0.00001) RY ( 6) H 17 s( 1.47%)p41.99( 61.89%)d23.36( 34.43%) f 1.50( 2.21%) 821. (0.00001) RY ( 7) H 17 s( 9.77%)p 6.18( 60.34%)d 2.77( 27.01%) f 0.30( 2.89%) 822. (0.00001) RY ( 8) H 17 s( 15.16%)p 3.96( 60.09%)d 1.16( 17.62%) f 0.47( 7.13%) 823. (0.00000) RY ( 9) H 17 s( 1.64%)p25.72( 42.21%)d14.87( 24.41%) f19.34( 31.74%) 824. (0.00000) RY (10) H 17 s( 4.95%)p 9.82( 48.57%)d 8.18( 40.47%) f 1.22( 6.01%) 825. (0.00000) RY (11) H 17 s( 0.66%)p32.56( 21.63%)d29.45( 19.56%) f87.51( 58.14%) 826. (0.00000) RY (12) H 17 s( 0.06%)p99.99( 46.35%)d99.99( 34.00%) f99.99( 19.59%) 827. (0.00000) RY (13) H 17 s( 0.27%)p99.99( 60.02%)d99.99( 32.19%) f27.71( 7.52%) 828. (0.00000) RY (14) H 17 s( 1.36%)p17.44( 23.67%)d20.56( 27.91%) f34.67( 47.06%) 829. (0.00000) RY (15) H 17 s( 9.83%)p 0.78( 7.63%)d 2.43( 23.87%) f 5.97( 58.67%) 830. (0.00000) RY (16) H 17 s( 5.90%)p 2.33( 13.76%)d 4.17( 24.55%) f 9.46( 55.79%) 831. (0.00000) RY (17) H 17 s( 30.81%)p 0.74( 22.73%)d 0.60( 18.60%) f 0.90( 27.86%) 832. (0.00000) RY (18) H 17 s( 6.26%)p 7.34( 45.89%)d 3.58( 22.40%) f 4.07( 25.45%) 833. (0.00000) RY (19) H 17 s( 8.34%)p 4.33( 36.07%)d 5.15( 42.96%) f 1.52( 12.64%) 834. (0.00000) RY (20) H 17 s( 26.44%)p 1.23( 32.59%)d 1.37( 36.30%) f 0.18( 4.67%) 835. (0.00000) RY (21) H 17 s( 0.80%)p33.10( 26.64%)d69.38( 55.84%) f20.77( 16.72%) 836. (0.00000) RY (22) H 17 s( 1.93%)p 3.81( 7.38%)d37.95( 73.41%) f 8.93( 17.28%) 837. (0.00000) RY (23) H 17 s( 0.00%)p 1.00( 3.53%)d24.21( 85.50%) f 3.11( 10.97%) 838. (0.00000) RY (24) H 17 s( 0.04%)p99.99( 12.15%)d99.99( 38.31%) f99.99( 49.49%) 839. (0.00000) RY (25) H 17 s( 0.03%)p99.99( 9.14%)d99.99( 79.55%) f99.99( 11.29%) 840. (0.00000) RY (26) H 17 s( 0.05%)p99.99( 5.21%)d99.99( 16.96%) f99.99( 77.78%) 841. (0.00000) RY (27) H 17 s( 0.01%)p99.99( 12.76%)d99.99( 71.09%) f99.99( 16.13%) 842. (0.00000) RY (28) H 17 s( 0.21%)p15.47( 3.27%)d38.94( 8.24%) f99.99( 88.28%) 843. (0.00000) RY (29) H 17 s( 0.14%)p99.99( 15.51%)d99.99( 45.67%) f99.99( 38.68%) 844. (0.00034) RY ( 1) H 18 s( 54.75%)p 0.63( 34.59%)d 0.19( 10.53%) f 0.00( 0.13%) -0.0120 0.4773 0.5652 -0.0074 0.0194 -0.3050 -0.0347 0.4000 0.0053 -0.0557 -0.2428 -0.1694 0.0242 0.0807 -0.0056 0.2012 -0.0135 0.0750 -0.0331 0.2155 -0.0307 -0.0628 0.0070 0.0252 -0.0033 -0.0014 -0.0026 -0.0080 -0.0234 -0.0058 845. (0.00025) RY ( 2) H 18 s( 83.49%)p 0.16( 13.11%)d 0.04( 3.14%) f 0.00( 0.25%) 0.0023 0.7676 -0.4957 0.0031 -0.1556 -0.1042 0.0427 -0.2726 0.0096 -0.0123 -0.0042 -0.1327 0.0459 0.0714 0.0061 -0.1290 0.0043 -0.0211 0.0163 -0.0543 0.0176 -0.0753 -0.0015 0.0092 -0.0271 0.0349 -0.0002 0.0210 -0.0023 -0.0062 846. (0.00017) RY ( 3) H 18 s( 1.07%)p59.90( 64.19%)d29.63( 31.75%) f 2.78( 2.98%) -0.0005 -0.0591 0.0844 -0.0098 0.3289 0.0252 -0.0832 -0.4294 -0.1210 0.0809 -0.5536 -0.0643 0.1000 -0.2953 0.0304 0.0218 0.0074 -0.0288 0.0033 0.0020 -0.0072 -0.4738 0.0591 -0.1141 -0.0747 0.0561 -0.0164 -0.0653 -0.0453 -0.0383 847. (0.00008) RY ( 4) H 18 s( 30.38%)p 1.25( 37.97%)d 1.04( 31.49%) f 0.01( 0.15%) 848. (0.00006) RY ( 5) H 18 s( 2.86%)p27.80( 79.47%)d 5.64( 16.12%) f 0.54( 1.56%) 849. (0.00001) RY ( 6) H 18 s( 10.73%)p 5.47( 58.68%)d 2.58( 27.65%) f 0.27( 2.94%) 850. (0.00001) RY ( 7) H 18 s( 3.23%)p19.36( 62.61%)d 9.48( 30.65%) f 1.08( 3.50%) 851. (0.00000) RY ( 8) H 18 s( 14.05%)p 1.74( 24.42%)d 3.56( 50.08%) f 0.81( 11.44%) 852. (0.00000) RY ( 9) H 18 s( 5.11%)p 8.76( 44.71%)d 4.09( 20.90%) f 5.74( 29.28%) 853. (0.00000) RY (10) H 18 s( 6.27%)p 8.59( 53.85%)d 5.13( 32.19%) f 1.23( 7.69%) 854. (0.00000) RY (11) H 18 s( 0.05%)p99.99( 25.13%)d99.99( 17.53%) f99.99( 57.29%) 855. (0.00000) RY (12) H 18 s( 0.03%)p99.99( 31.90%)d99.99( 26.52%) f99.99( 41.56%) 856. (0.00000) RY (13) H 18 s( 0.19%)p99.99( 34.68%)d99.99( 45.01%) f99.99( 20.12%) 857. (0.00000) RY (14) H 18 s( 0.18%)p99.99( 27.52%)d64.63( 11.40%) f99.99( 60.90%) 858. (0.00000) RY (15) H 18 s( 0.67%)p36.31( 24.50%)d20.07( 13.55%) f90.79( 61.27%) 859. (0.00000) RY (16) H 18 s( 9.88%)p 2.00( 19.73%)d 2.60( 25.70%) f 4.52( 44.69%) 860. (0.00000) RY (17) H 18 s( 3.34%)p17.44( 58.28%)d 3.01( 10.07%) f 8.47( 28.31%) 861. (0.00000) RY (18) H 18 s( 21.69%)p 1.51( 32.84%)d 1.34( 29.09%) f 0.76( 16.38%) 862. (0.00000) RY (19) H 18 s( 10.16%)p 3.80( 38.59%)d 3.58( 36.36%) f 1.47( 14.89%) 863. (0.00000) RY (20) H 18 s( 23.07%)p 0.80( 18.51%)d 2.24( 51.74%) f 0.29( 6.68%) 864. (0.00000) RY (21) H 18 s( 13.42%)p 2.33( 31.22%)d 3.02( 40.52%) f 1.11( 14.83%) 865. (0.00000) RY (22) H 18 s( 4.52%)p 2.34( 10.60%)d17.16( 77.58%) f 1.62( 7.30%) 866. (0.00000) RY (23) H 18 s( 0.01%)p 1.00( 6.97%)d12.26( 85.43%) f 1.09( 7.60%) 867. (0.00000) RY (24) H 18 s( 0.08%)p99.99( 8.05%)d99.99( 34.42%) f99.99( 57.44%) 868. (0.00000) RY (25) H 18 s( 0.05%)p89.90( 4.84%)d99.99( 25.72%) f99.99( 69.38%) 869. (0.00000) RY (26) H 18 s( 0.33%)p 7.04( 2.35%)d99.99( 81.22%) f48.23( 16.09%) 870. (0.00000) RY (27) H 18 s( 0.01%)p 1.00( 16.13%)d 3.06( 49.37%) f 2.14( 34.50%) 871. (0.00000) RY (28) H 18 s( 0.35%)p41.28( 14.41%)d99.82( 34.84%) f99.99( 50.40%) 872. (0.00000) RY (29) H 18 s( 0.15%)p99.99( 20.02%)d99.99( 49.42%) f99.99( 30.41%) 873. (0.00035) RY ( 1) H 19 s( 56.97%)p 0.57( 32.63%)d 0.18( 10.28%) f 0.00( 0.12%) -0.0114 0.4586 0.5993 -0.0073 0.0478 -0.2949 -0.0364 0.4475 0.0514 -0.0580 0.1110 0.1306 -0.0016 0.0005 -0.0023 -0.1830 0.0118 -0.0189 0.0190 0.2482 -0.0432 -0.0705 -0.0071 -0.0138 -0.0031 -0.0146 0.0080 -0.0025 -0.0267 -0.0038 874. (0.00026) RY ( 2) H 19 s( 85.58%)p 0.14( 12.21%)d 0.02( 2.00%) f 0.00( 0.21%) 0.0012 0.7764 -0.5030 0.0014 -0.1757 -0.1471 0.0395 -0.2159 0.0487 -0.0358 0.0699 0.1080 -0.0346 0.1031 0.0038 0.0681 -0.0037 -0.0346 -0.0055 -0.0345 0.0175 -0.0445 0.0043 -0.0323 -0.0005 0.0001 -0.0064 -0.0299 0.0111 -0.0057 875. (0.00017) RY ( 3) H 19 s( 0.41%)p99.99( 64.48%)d79.22( 32.16%) f 7.28( 2.95%) -0.0002 0.0506 -0.0386 0.0034 -0.2795 -0.0488 0.0666 0.2050 0.0649 -0.0422 -0.6947 -0.1067 0.1335 0.2496 -0.0250 -0.1742 0.0273 0.2902 -0.0299 -0.0200 0.0072 0.3739 -0.0474 0.0021 0.0970 -0.1195 0.0236 0.0383 0.0484 0.0387 876. (0.00008) RY ( 4) H 19 s( 28.96%)p 1.44( 41.75%)d 1.00( 29.07%) f 0.01( 0.21%) 877. (0.00007) RY ( 5) H 19 s( 3.00%)p25.70( 77.09%)d 6.17( 18.51%) f 0.47( 1.40%) 878. (0.00001) RY ( 6) H 19 s( 8.95%)p 7.51( 67.21%)d 2.14( 19.19%) f 0.52( 4.64%) 879. (0.00001) RY ( 7) H 19 s( 3.25%)p16.55( 53.82%)d12.86( 41.82%) f 0.34( 1.11%) 880. (0.00000) RY ( 8) H 19 s( 9.91%)p 3.03( 30.00%)d 4.67( 46.30%) f 1.39( 13.80%) 881. (0.00000) RY ( 9) H 19 s( 2.98%)p15.51( 46.20%)d 6.44( 19.17%) f10.63( 31.65%) 882. (0.00000) RY (10) H 19 s( 6.57%)p 8.46( 55.56%)d 4.44( 29.17%) f 1.33( 8.70%) 883. (0.00000) RY (11) H 19 s( 0.25%)p99.99( 33.30%)d99.99( 29.87%) f99.99( 36.57%) 884. (0.00000) RY (12) H 19 s( 0.55%)p59.18( 32.50%)d68.71( 37.73%) f53.19( 29.21%) 885. (0.00000) RY (13) H 19 s( 2.03%)p17.20( 34.87%)d18.49( 37.50%) f12.63( 25.61%) 886. (0.00000) RY (14) H 19 s( 0.89%)p29.86( 26.56%)d15.59( 13.87%) f65.97( 58.68%) 887. (0.00000) RY (15) H 19 s( 0.33%)p51.16( 16.97%)d75.26( 24.96%) f99.99( 57.74%) 888. (0.00000) RY (16) H 19 s( 4.86%)p 8.16( 39.63%)d 3.51( 17.02%) f 7.93( 38.50%) 889. (0.00000) RY (17) H 19 s( 2.85%)p14.87( 42.33%)d 5.31( 15.10%) f13.96( 39.73%) 890. (0.00000) RY (18) H 19 s( 25.07%)p 1.14( 28.64%)d 1.09( 27.41%) f 0.75( 18.88%) 891. (0.00000) RY (19) H 19 s( 17.58%)p 2.15( 37.75%)d 1.68( 29.44%) f 0.87( 15.22%) 892. (0.00000) RY (20) H 19 s( 5.09%)p 6.03( 30.66%)d11.26( 57.28%) f 1.37( 6.97%) 893. (0.00000) RY (21) H 19 s( 25.68%)p 0.73( 18.73%)d 1.79( 45.98%) f 0.37( 9.61%) 894. (0.00000) RY (22) H 19 s( 7.28%)p 1.44( 10.51%)d10.76( 78.31%) f 0.54( 3.91%) 895. (0.00000) RY (23) H 19 s( 0.02%)p65.46( 1.22%)d99.99( 64.15%) f99.99( 34.61%) 896. (0.00000) RY (24) H 19 s( 0.05%)p46.13( 2.33%)d99.99( 25.34%) f99.99( 72.27%) 897. (0.00000) RY (25) H 19 s( 0.07%)p99.99( 19.92%)d99.99( 71.98%) f99.99( 8.03%) 898. (0.00000) RY (26) H 19 s( 0.18%)p99.99( 19.75%)d99.99( 59.79%) f99.99( 20.28%) 899. (0.00000) RY (27) H 19 s( 0.06%)p99.99( 11.76%)d99.99( 61.27%) f99.99( 26.91%) 900. (0.00000) RY (28) H 19 s( 0.19%)p10.97( 2.06%)d99.99( 42.45%) f99.99( 55.31%) 901. (0.00000) RY (29) H 19 s( 0.56%)p17.00( 9.46%)d23.08( 12.85%) f99.99( 77.13%) 902. (0.00031) RY ( 1) H 20 s( 65.36%)p 0.42( 27.73%)d 0.10( 6.73%) f 0.00( 0.18%) -0.0096 0.6982 -0.4073 -0.0136 0.4259 -0.0414 -0.0247 0.0878 -0.1654 -0.0429 0.2133 0.0946 0.0475 0.0037 0.0020 -0.1367 0.0414 -0.1456 0.0264 -0.0274 0.0074 0.1554 0.0062 -0.0318 -0.0181 -0.0205 -0.0020 0.0009 -0.0014 0.0063 903. (0.00026) RY ( 2) H 20 s( 75.43%)p 0.24( 18.16%)d 0.08( 6.15%) f 0.00( 0.26%) 0.0049 0.6214 0.6067 0.0084 -0.1498 0.0394 0.0507 -0.0492 0.1157 0.0165 -0.1203 -0.3487 0.0538 -0.1345 -0.0042 0.1686 -0.0188 0.1171 -0.0117 0.0239 -0.0036 0.0139 0.0036 -0.0234 -0.0186 0.0221 -0.0061 -0.0311 -0.0001 -0.0137 904. (0.00018) RY ( 3) H 20 s( 1.29%)p52.67( 67.87%)d21.93( 28.26%) f 2.00( 2.58%) 0.0026 -0.0779 0.0812 0.0148 0.4419 0.1621 -0.0625 -0.6298 -0.1124 0.1110 -0.1609 -0.0743 0.0165 0.0708 -0.0130 -0.2610 0.0297 0.4413 -0.0589 -0.0606 -0.0016 0.0782 -0.0207 -0.0450 0.0974 -0.1062 0.0309 -0.0441 0.0100 -0.0048 905. (0.00008) RY ( 4) H 20 s( 28.58%)p 1.13( 32.27%)d 1.37( 39.03%) f 0.00( 0.12%) 906. (0.00003) RY ( 5) H 20 s( 2.70%)p29.25( 78.84%)d 5.99( 16.15%) f 0.86( 2.31%) 907. (0.00002) RY ( 6) H 20 s( 1.75%)p31.13( 54.43%)d23.76( 41.55%) f 1.30( 2.27%) 908. (0.00001) RY ( 7) H 20 s( 10.36%)p 5.73( 59.36%)d 2.55( 26.44%) f 0.37( 3.85%) 909. (0.00000) RY ( 8) H 20 s( 8.15%)p 5.24( 42.67%)d 5.96( 48.53%) f 0.08( 0.65%) 910. (0.00000) RY ( 9) H 20 s( 6.46%)p 8.48( 54.76%)d 1.91( 12.31%) f 4.10( 26.47%) 911. (0.00000) RY (10) H 20 s( 6.19%)p 9.26( 57.32%)d 3.35( 20.76%) f 2.54( 15.73%) 912. (0.00000) RY (11) H 20 s( 0.06%)p99.99( 18.32%)d99.99( 26.31%) f99.99( 55.31%) 913. (0.00000) RY (12) H 20 s( 0.67%)p66.26( 44.22%)d42.65( 28.46%) f39.93( 26.65%) 914. (0.00000) RY (13) H 20 s( 0.31%)p99.99( 50.00%)d70.84( 22.22%) f87.55( 27.47%) 915. (0.00000) RY (14) H 20 s( 1.18%)p32.04( 37.70%)d27.84( 32.76%) f24.12( 28.37%) 916. (0.00000) RY (15) H 20 s( 3.70%)p 1.82( 6.73%)d 6.12( 22.64%) f18.10( 66.94%) 917. (0.00000) RY (16) H 20 s( 29.72%)p 0.35( 10.54%)d 1.02( 30.19%) f 0.99( 29.54%) 918. (0.00000) RY (17) H 20 s( 17.73%)p 1.72( 30.49%)d 0.62( 10.96%) f 2.30( 40.83%) 919. (0.00000) RY (18) H 20 s( 5.63%)p 7.66( 43.10%)d 3.76( 21.17%) f 5.35( 30.10%) 920. (0.00000) RY (19) H 20 s( 5.93%)p 6.43( 38.13%)d 6.66( 39.46%) f 2.78( 16.47%) 921. (0.00000) RY (20) H 20 s( 11.92%)p 2.56( 30.54%)d 3.40( 40.58%) f 1.42( 16.97%) 922. (0.00000) RY (21) H 20 s( 8.66%)p 2.02( 17.47%)d 8.06( 69.82%) f 0.47( 4.05%) 923. (0.00000) RY (22) H 20 s( 7.88%)p 1.33( 10.45%)d 7.95( 62.67%) f 2.41( 19.00%) 924. (0.00000) RY (23) H 20 s( 0.01%)p 1.00( 3.75%)d24.12( 90.52%) f 1.52( 5.72%) 925. (0.00000) RY (24) H 20 s( 0.09%)p72.86( 6.67%)d99.99( 73.83%) f99.99( 19.41%) 926. (0.00000) RY (25) H 20 s( 0.01%)p 1.00( 20.44%)d 2.18( 44.47%) f 1.72( 35.08%) 927. (0.00000) RY (26) H 20 s( 0.06%)p99.99( 16.75%)d99.99( 32.90%) f99.99( 50.29%) 928. (0.00000) RY (27) H 20 s( 0.05%)p75.53( 3.50%)d99.99( 39.18%) f99.99( 57.27%) 929. (0.00000) RY (28) H 20 s( 0.16%)p34.54( 5.48%)d70.72( 11.21%) f99.99( 83.15%) 930. (0.00000) RY (29) H 20 s( 0.11%)p99.99( 12.21%)d99.99( 54.71%) f99.99( 32.97%) 931. (0.00324) RY ( 1) S 21 s( 3.40%)p 4.12( 14.04%)d23.64( 80.43%) f 0.53( 1.81%)g 0.09( 0.32%) 0.0000 0.0000 -0.0076 0.1804 -0.0377 0.0026 0.0004 -0.0001 0.0000 0.0000 0.0232 0.0717 0.0079 -0.0001 -0.0005 0.0000 0.0037 -0.3262 0.0352 0.0054 0.0006 0.0000 -0.0057 -0.1636 -0.0096 0.0045 0.0005 -0.3865 -0.0791 -0.0010 -0.0005 -0.4424 -0.0377 0.0029 -0.0010 -0.0881 -0.0692 0.0015 -0.0004 0.6416 0.1575 -0.0018 -0.0009 -0.0392 -0.0312 0.0040 0.0003 0.0010 0.0221 -0.0399 -0.0113 0.0104 0.0139 0.0206 -0.0129 -0.0591 -0.0218 0.0722 0.0686 0.0330 -0.0046 -0.0018 0.0194 0.0104 -0.0127 -0.0006 0.0029 -0.0082 0.0448 0.0218 932. (0.00111) RY ( 2) S 21 s( 5.93%)p 6.48( 38.42%)d 9.03( 53.50%) f 0.31( 1.83%)g 0.05( 0.32%) 0.0000 0.0000 -0.0018 0.2419 -0.0273 0.0025 -0.0019 -0.0002 0.0001 0.0000 -0.0230 0.4141 -0.0019 -0.0299 0.0004 0.0000 -0.0006 -0.1776 0.0672 -0.0084 0.0005 0.0000 -0.0081 0.4175 -0.0230 -0.0178 -0.0010 -0.1927 -0.1143 0.0022 0.0008 0.4627 0.3218 -0.0232 0.0018 0.1829 0.1323 -0.0013 -0.0006 0.1115 0.1899 -0.0134 -0.0027 0.2476 -0.0718 0.0215 -0.0035 -0.0108 -0.0632 0.0383 0.0029 0.0085 0.0164 -0.0077 0.0618 0.0398 0.0579 0.0308 0.0506 0.0014 0.0062 0.0020 -0.0327 -0.0154 -0.0138 0.0118 0.0079 0.0329 0.0161 0.0126 933. (0.00080) RY ( 3) S 21 s( 3.84%)p 1.83( 7.02%)d22.58( 86.80%) f 0.58( 2.22%)g 0.03( 0.11%) 0.0000 0.0000 -0.0136 0.1911 0.0413 -0.0006 0.0055 -0.0001 0.0001 0.0000 -0.1173 0.2248 0.0329 -0.0229 0.0016 0.0000 -0.0323 -0.0152 0.0362 0.0107 0.0012 0.0000 0.0134 -0.0307 0.0068 0.0201 -0.0005 0.6815 0.0915 0.0248 -0.0078 0.2124 -0.0945 -0.0043 -0.0003 -0.1010 -0.0427 0.0033 0.0027 0.4281 0.0428 0.0385 -0.0081 -0.3736 -0.0434 -0.0189 0.0040 -0.0165 -0.0076 -0.0287 -0.0069 -0.0618 -0.0086 0.0666 0.0084 0.0696 0.0105 -0.0388 -0.0345 0.0686 0.0172 0.0162 0.0006 0.0000 -0.0052 -0.0063 -0.0125 -0.0082 -0.0144 0.0189 934. (0.00054) RY ( 4) S 21 s( 32.05%)p 0.45( 14.31%)d 1.62( 52.07%) f 0.04( 1.40%)g 0.01( 0.17%) 0.0000 0.0000 -0.0050 0.5584 -0.0921 -0.0108 -0.0024 -0.0003 0.0001 0.0000 -0.0096 -0.2018 -0.1417 0.0208 -0.0002 0.0000 -0.0086 -0.1002 -0.0114 -0.0023 0.0025 0.0000 -0.0031 0.2576 0.0680 -0.0242 0.0007 0.3702 0.0031 0.0074 -0.0011 -0.4498 0.0957 -0.0155 0.0046 0.1813 -0.0519 -0.0068 0.0025 -0.1322 -0.0965 0.0123 -0.0041 0.3296 -0.0170 0.0188 -0.0072 0.0178 -0.0061 -0.0549 -0.0076 0.0565 -0.0070 0.0129 0.0076 -0.0142 0.0050 -0.0693 -0.0390 0.0217 0.0066 -0.0070 -0.0171 -0.0049 0.0078 -0.0193 -0.0007 0.0142 -0.0252 0.0064 935. (0.00030) RY ( 5) S 21 s( 14.85%)p 1.36( 20.13%)d 4.18( 62.09%) f 0.18( 2.73%)g 0.01( 0.20%) 0.0000 0.0000 -0.0035 0.3723 -0.0986 -0.0112 -0.0002 0.0002 0.0002 0.0000 -0.0170 -0.3342 -0.0396 0.0506 -0.0042 0.0000 -0.0111 0.2045 0.0983 -0.0206 -0.0011 0.0000 -0.0149 -0.1685 0.0677 -0.0036 0.0045 -0.2268 -0.1474 -0.0044 -0.0021 0.3026 -0.0824 0.0499 -0.0065 0.5352 -0.1155 0.0186 -0.0031 0.1024 -0.1685 0.0049 -0.0053 -0.3156 0.0873 -0.0161 0.0162 -0.1109 0.0048 -0.0350 0.0312 0.0318 0.0110 0.0038 -0.0194 -0.0495 -0.0149 0.0662 0.0019 0.0586 -0.0277 -0.0293 -0.0031 -0.0036 0.0090 -0.0011 0.0079 0.0013 0.0121 -0.0291 936. (0.00019) RY ( 6) S 21 s( 4.80%)p 2.80( 13.45%)d16.06( 77.02%) f 0.88( 4.24%)g 0.10( 0.49%) 0.0000 0.0000 -0.0024 0.2156 -0.0342 -0.0168 0.0057 -0.0009 -0.0005 0.0000 -0.0016 0.1528 0.0542 -0.0108 0.0026 0.0000 -0.0253 0.1371 -0.1239 0.0300 0.0000 0.0000 0.0228 0.1895 0.1880 -0.0246 0.0035 -0.1886 0.2152 -0.0147 0.0199 -0.2705 0.2774 -0.0515 0.0027 -0.0711 0.1223 -0.0219 0.0044 -0.2707 0.1946 -0.0216 0.0125 -0.6331 -0.0185 -0.0394 0.0053 -0.0490 -0.0402 0.0383 -0.0201 -0.0312 -0.0225 -0.0611 0.0374 0.0203 0.0283 -0.0389 0.0060 -0.1397 0.0873 0.0200 -0.0244 -0.0163 -0.0260 -0.0265 -0.0066 0.0153 -0.0196 0.0401 937. (0.00012) RY ( 7) S 21 s( 15.01%)p 1.28( 19.23%)d 3.93( 58.97%) f 0.42( 6.33%)g 0.03( 0.45%) 0.0000 0.0000 0.0095 0.3714 0.1083 -0.0112 0.0160 -0.0005 0.0002 0.0000 -0.0003 -0.3357 -0.0620 0.0570 -0.0050 0.0000 0.0275 0.2343 -0.0235 0.0230 0.0026 0.0000 0.0236 0.0735 -0.0937 0.0314 0.0001 -0.1929 0.3441 0.0405 0.0069 0.2708 -0.1595 0.0410 -0.0075 -0.5028 0.0884 -0.0317 0.0117 0.0947 0.1506 0.0305 0.0002 0.1750 -0.0794 -0.0249 -0.0046 -0.0623 0.0261 -0.0013 -0.0302 0.0007 -0.0344 0.1373 0.0061 -0.0942 -0.0131 -0.1137 0.0164 -0.0883 0.0881 -0.0062 0.0354 0.0152 0.0138 -0.0187 -0.0095 -0.0385 -0.0195 -0.0221 938. (0.00009) RY ( 8) S 21 s( 2.34%)p17.99( 42.16%)d21.61( 50.64%) f 1.89( 4.42%)g 0.19( 0.44%) 939. (0.00005) RY ( 9) S 21 s( 2.73%)p23.47( 64.01%)d11.31( 30.83%) f 0.86( 2.34%)g 0.03( 0.08%) 940. (0.00003) RY (10) S 21 s( 7.16%)p 7.05( 50.47%)d 5.20( 37.20%) f 0.66( 4.69%)g 0.07( 0.48%) 941. (0.00002) RY (11) S 21 s( 1.26%)p49.82( 62.70%)d21.80( 27.44%) f 5.86( 7.38%)g 0.97( 1.22%) 942. (0.00002) RY (12) S 21 s( 2.10%)p 7.51( 15.80%)d26.24( 55.20%) f12.21( 25.69%)g 0.58( 1.21%) 943. (0.00001) RY (13) S 21 s( 1.26%)p23.06( 28.97%)d40.37( 50.71%) f14.33( 18.00%)g 0.85( 1.07%) 944. (0.00001) RY (14) S 21 s( 4.23%)p 1.54( 6.50%)d 3.85( 16.27%) f16.46( 69.64%)g 0.79( 3.36%) 945. (0.00001) RY (15) S 21 s( 5.70%)p 4.10( 23.40%)d 8.94( 50.96%) f 3.40( 19.41%)g 0.09( 0.53%) 946. (0.00001) RY (16) S 21 s( 6.00%)p 3.71( 22.27%)d 2.02( 12.12%) f 9.68( 58.08%)g 0.25( 1.53%) 947. (0.00000) RY (17) S 21 s( 3.13%)p13.82( 43.30%)d12.60( 39.49%) f 4.10( 12.85%)g 0.39( 1.23%) 948. (0.00000) RY (18) S 21 s( 2.10%)p 4.34( 9.10%)d 3.37( 7.07%) f11.20( 23.47%)g27.81( 58.27%) 949. (0.00000) RY (19) S 21 s( 10.65%)p 0.52( 5.52%)d 4.16( 44.28%) f 2.44( 25.99%)g 1.27( 13.57%) 950. (0.00000) RY (20) S 21 s( 5.81%)p 0.85( 4.94%)d 1.85( 10.75%) f 4.42( 25.68%)g 9.09( 52.82%) 951. (0.00000) RY (21) S 21 s( 4.86%)p 1.70( 8.27%)d 4.90( 23.80%) f 4.44( 21.57%)g 8.54( 41.50%) 952. (0.00000) RY (22) S 21 s( 11.57%)p 0.67( 7.80%)d 1.57( 18.20%) f 2.30( 26.61%)g 3.10( 35.82%) 953. (0.00000) RY (23) S 21 s( 1.42%)p 6.88( 9.79%)d28.73( 40.87%) f14.50( 20.62%)g19.19( 27.30%) 954. (0.00000) RY (24) S 21 s( 2.39%)p 1.46( 3.49%)d 6.82( 16.28%) f18.73( 44.68%)g13.90( 33.17%) 955. (0.00000) RY (25) S 21 s( 8.80%)p 1.35( 11.88%)d 4.47( 39.34%) f 1.81( 15.92%)g 2.73( 24.05%) 956. (0.00000) RY (26) S 21 s( 9.55%)p 1.66( 15.89%)d 4.18( 39.95%) f 2.06( 19.69%)g 1.56( 14.92%) 957. (0.00000) RY (27) S 21 s( 1.84%)p 3.23( 5.96%)d10.51( 19.38%) f17.02( 31.38%)g22.48( 41.43%) 958. (0.00000) RY (28) S 21 s( 6.38%)p 1.21( 7.70%)d 2.22( 14.16%) f 2.73( 17.38%)g 8.53( 54.38%) 959. (0.00000) RY (29) S 21 s( 1.08%)p11.09( 11.96%)d15.59( 16.81%) f15.71( 16.94%)g49.35( 53.22%) 960. (0.00000) RY (30) S 21 s( 5.76%)p 1.80( 10.38%)d 2.94( 16.94%) f 7.17( 41.27%)g 4.45( 25.65%) 961. (0.00000) RY (31) S 21 s( 5.71%)p 3.05( 17.42%)d 2.27( 12.99%) f 5.49( 31.33%)g 5.70( 32.55%) 962. (0.00000) RY (32) S 21 s( 1.54%)p 6.31( 9.71%)d27.89( 42.87%) f26.42( 40.62%)g 3.42( 5.26%) 963. (0.00000) RY (33) S 21 s( 6.48%)p 1.97( 12.79%)d 3.50( 22.71%) f 7.50( 48.64%)g 1.45( 9.37%) 964. (0.00000) RY (34) S 21 s( 2.10%)p 8.73( 18.36%)d20.08( 42.21%) f15.27( 32.11%)g 2.48( 5.22%) 965. (0.00000) RY (35) S 21 s( 2.76%)p 9.00( 24.81%)d 6.32( 17.43%) f15.75( 43.43%)g 4.20( 11.58%) 966. (0.00000) RY (36) S 21 s( 1.77%)p 6.12( 10.85%)d 9.64( 17.10%) f33.31( 59.08%)g 6.31( 11.20%) 967. (0.00000) RY (37) S 21 s( 0.81%)p39.59( 32.26%)d46.01( 37.49%) f30.64( 24.97%)g 5.46( 4.45%) 968. (0.00000) RY (38) S 21 s( 7.52%)p 1.97( 14.79%)d 4.16( 31.27%) f 4.45( 33.48%)g 1.72( 12.94%) 969. (0.00000) RY (39) S 21 s( 16.37%)p 1.65( 26.96%)d 0.88( 14.41%) f 1.55( 25.45%)g 1.03( 16.81%) 970. (0.00000) RY (40) S 21 s( 0.93%)p13.44( 12.44%)d54.66( 50.58%) f34.95( 32.34%)g 4.02( 3.72%) 971. (0.00000) RY (41) S 21 s( 6.92%)p 2.31( 16.01%)d 4.98( 34.45%) f 5.53( 38.29%)g 0.62( 4.32%) 972. (0.00000) RY (42) S 21 s( 3.84%)p 2.45( 9.39%)d11.16( 42.81%) f10.98( 42.12%)g 0.48( 1.84%) 973. (0.00000) RY (43) S 21 s( 0.21%)p25.82( 5.40%)d99.99( 55.22%) f99.99( 37.53%)g 7.85( 1.64%) 974. (0.00000) RY (44) S 21 s( 7.75%)p 1.04( 8.09%)d 6.39( 49.52%) f 4.32( 33.50%)g 0.15( 1.14%) 975. (0.00000) RY (45) S 21 s( 14.23%)p 0.52( 7.40%)d 3.60( 51.25%) f 1.79( 25.47%)g 0.12( 1.64%) 976. (0.00000) RY (46) S 21 s( 12.34%)p 2.53( 31.23%)d 1.98( 24.45%) f 2.43( 29.99%)g 0.16( 1.99%) 977. (0.00000) RY (47) S 21 s( 17.16%)p 1.75( 30.00%)d 0.72( 12.41%) f 2.28( 39.21%)g 0.07( 1.22%) 978. (0.00000) RY (48) S 21 s( 16.33%)p 0.90( 14.66%)d 1.08( 17.69%) f 2.98( 48.61%)g 0.17( 2.70%) 979. (0.00000) RY (49) S 21 s( 97.67%)p 0.02( 1.86%)d 0.00( 0.21%) f 0.00( 0.14%)g 0.00( 0.12%) 980. (0.00000) RY (50) S 21 s( 69.88%)p 0.37( 25.66%)d 0.04( 2.52%) f 0.01( 0.46%)g 0.02( 1.48%) 981. (0.00000) RY (51) S 21 s( 21.65%)p 3.49( 75.49%)d 0.08( 1.74%) f 0.02( 0.36%)g 0.04( 0.77%) 982. (0.00000) RY (52) S 21 s( 9.42%)p 6.69( 63.00%)d 2.37( 22.29%) f 0.24( 2.29%)g 0.32( 2.99%) 983. (0.00000) RY (53) S 21 s( 1.43%)p14.12( 20.21%)d22.88( 32.75%) f 4.32( 6.18%)g27.54( 39.43%) 984. (0.00000) RY (54) S 21 s( 2.74%)p 8.89( 24.36%)d 7.44( 20.40%) f 5.01( 13.73%)g14.14( 38.78%) 985. (0.00000) RY (55) S 21 s( 25.09%)p 0.12( 2.99%)d 1.46( 36.56%) f 0.27( 6.67%)g 1.14( 28.69%) 986. (0.00000) RY (56) S 21 s( 18.24%)p 0.65( 11.82%)d 2.06( 37.48%) f 0.20( 3.66%)g 1.58( 28.81%) 987. (0.00000) RY (57) S 21 s( 22.93%)p 1.30( 29.72%)d 1.01( 23.18%) f 0.63( 14.47%)g 0.42( 9.70%) 988. (0.00000) RY (58) S 21 s( 6.38%)p 2.18( 13.91%)d 6.33( 40.40%) f 3.23( 20.62%)g 2.93( 18.69%) 989. (0.00000) RY (59) S 21 s( 1.57%)p 8.24( 12.94%)d12.83( 20.14%) f14.43( 22.66%)g27.19( 42.69%) 990. (0.00000) RY (60) S 21 s( 9.23%)p 1.38( 12.74%)d 1.90( 17.53%) f 3.88( 35.83%)g 2.67( 24.67%) 991. (0.00000) RY (61) S 21 s( 0.82%)p 7.34( 6.05%)d20.07( 16.53%) f39.23( 32.31%)g53.78( 44.29%) 992. (0.00888) RY ( 1) S 22 s( 9.41%)p 0.48( 4.51%)d 8.93( 84.03%) f 0.20( 1.89%)g 0.02( 0.16%) 0.0000 0.0000 -0.0225 0.3055 0.0150 -0.0035 -0.0002 0.0001 -0.0001 0.0000 0.0111 0.1249 0.0145 0.0016 0.0000 0.0000 0.0286 0.0699 -0.0396 -0.0054 0.0006 0.0000 -0.0484 -0.1297 0.0507 0.0114 -0.0009 -0.0437 0.0047 0.0001 -0.0003 0.7266 0.0196 0.0139 -0.0019 0.2877 -0.0062 0.0004 -0.0008 0.4729 -0.0179 0.0087 -0.0001 0.0540 0.0064 0.0034 -0.0002 0.0574 0.0119 0.0837 0.0120 0.0077 0.0020 0.0133 0.0009 -0.0760 -0.0110 -0.0359 -0.0062 -0.0286 -0.0047 -0.0060 -0.0068 -0.0076 0.0219 -0.0048 0.0134 0.0194 0.0160 0.0133 993. (0.00489) RY ( 2) S 22 s( 0.43%)p51.68( 21.99%)d99.99( 73.67%) f 8.70( 3.70%)g 0.50( 0.21%) 0.0000 0.0000 -0.0042 0.0649 -0.0048 -0.0017 0.0002 0.0000 0.0000 0.0000 0.1153 -0.2597 -0.0267 -0.0003 -0.0009 0.0000 0.0244 -0.2189 0.0326 0.0022 -0.0005 0.0000 0.0718 -0.2872 -0.0341 -0.0030 0.0002 0.6430 -0.0009 0.0128 0.0001 -0.0833 0.0017 -0.0026 -0.0010 0.3448 0.0224 0.0087 -0.0022 0.0310 -0.0066 0.0020 0.0013 -0.4420 -0.0172 -0.0089 -0.0002 -0.0636 -0.0171 0.0354 0.0084 0.0960 0.0392 0.0681 0.0252 0.0663 0.0163 0.0777 0.0354 -0.0572 -0.0100 0.0049 0.0008 0.0254 0.0179 0.0001 0.0101 0.0013 -0.0313 0.0080 994. (0.00430) RY ( 3) S 22 s( 0.03%)p99.99( 35.49%)d99.99( 62.62%) f57.35( 1.57%)g10.28( 0.28%) 0.0000 0.0000 0.0014 0.0145 0.0074 0.0021 -0.0018 0.0002 0.0001 0.0000 0.0351 -0.3409 -0.0701 -0.0015 0.0014 0.0000 0.0159 0.4558 -0.0430 -0.0008 -0.0003 0.0000 0.0470 0.1430 -0.0073 -0.0024 -0.0002 -0.2024 0.0121 -0.0052 0.0011 -0.3442 0.0000 -0.0130 0.0036 -0.0264 -0.0208 0.0072 0.0000 0.6177 0.0009 0.0145 -0.0049 -0.2882 0.0164 -0.0103 0.0015 -0.0618 -0.0271 0.0076 0.0116 0.0030 0.0100 0.0589 0.0179 0.0293 0.0314 -0.0558 -0.0397 -0.0239 -0.0008 0.0023 0.0106 0.0181 -0.0079 0.0086 0.0051 -0.0253 0.0329 0.0222 995. (0.00141) RY ( 4) S 22 s( 1.90%)p13.67( 26.02%)d36.70( 69.87%) f 1.06( 2.01%)g 0.10( 0.19%) 0.0000 0.0000 0.0032 0.1369 0.0166 -0.0008 -0.0010 0.0002 0.0000 0.0000 -0.0220 -0.0164 0.1183 0.0012 0.0012 0.0000 -0.0163 0.3358 -0.0614 -0.0002 -0.0007 0.0000 -0.0177 0.3515 0.0693 0.0013 -0.0007 0.2594 0.0344 0.0045 -0.0042 -0.2205 0.0315 -0.0036 0.0007 0.5811 -0.0033 0.0096 -0.0034 -0.1072 -0.0160 0.0037 0.0002 0.4762 0.0648 0.0076 -0.0061 0.0948 0.0703 -0.0155 0.0081 0.0458 0.0219 0.0047 -0.0050 0.0150 0.0305 0.0422 0.0057 0.0120 0.0115 0.0278 0.0101 -0.0020 0.0104 0.0260 0.0019 0.0140 -0.0074 -0.0032 996. (0.00030) RY ( 5) S 22 s( 30.41%)p 1.04( 31.70%)d 1.19( 36.15%) f 0.05( 1.54%)g 0.01( 0.19%) 0.0000 0.0000 -0.0205 0.5484 -0.0493 -0.0220 -0.0019 0.0004 0.0002 0.0000 0.0186 -0.2998 -0.1970 0.0050 -0.0015 0.0000 0.0394 -0.1833 0.2426 -0.0051 0.0014 0.0000 -0.0525 0.3014 0.0133 -0.0058 0.0036 0.2925 -0.0640 0.0216 -0.0067 0.0278 0.0092 -0.0079 0.0036 -0.4490 0.0598 -0.0162 -0.0020 0.0839 -0.0489 0.0029 0.0017 0.2279 0.0597 -0.0037 0.0001 0.0359 0.0430 -0.0549 0.0274 -0.0583 -0.0159 0.0071 -0.0224 0.0212 0.0037 -0.0561 -0.0017 -0.0260 -0.0068 0.0221 0.0232 -0.0271 -0.0035 -0.0084 -0.0031 0.0074 0.0032 0.0031 997. (0.00027) RY ( 6) S 22 s( 8.79%)p 4.37( 38.43%)d 5.70( 50.11%) f 0.21( 1.86%)g 0.09( 0.81%) 0.0000 0.0000 -0.0135 -0.2066 0.2122 0.0047 -0.0007 -0.0002 -0.0001 0.0000 0.0266 -0.0588 0.2956 0.0118 -0.0029 0.0000 -0.0119 -0.4619 -0.1271 0.0040 0.0001 0.0000 -0.0244 -0.0276 -0.2424 0.0521 -0.0054 0.0572 -0.1513 -0.0009 0.0077 -0.1786 0.0780 0.0355 -0.0090 -0.0037 -0.1658 -0.0141 0.0130 0.4300 0.0214 0.0145 -0.0017 0.3921 -0.2527 0.0665 0.0010 -0.0015 -0.0670 0.0032 0.0400 0.0394 -0.0271 0.0210 0.0320 -0.0030 -0.0163 -0.0711 -0.0156 -0.0507 -0.0250 -0.0636 -0.0364 0.0247 -0.0180 -0.0189 -0.0004 -0.0302 0.0204 0.0110 998. (0.00025) RY ( 7) S 22 s( 16.14%)p 3.31( 53.38%)d 1.63( 26.28%) f 0.25( 4.10%)g 0.01( 0.10%) 0.0000 0.0000 -0.0003 0.3966 -0.0581 0.0191 -0.0183 0.0006 -0.0003 0.0000 0.0240 -0.0582 -0.2681 0.0114 0.0048 0.0000 0.0001 -0.0176 -0.2939 0.0404 0.0016 0.0000 -0.0109 -0.6016 0.0867 0.0001 -0.0020 -0.2356 -0.0770 -0.0246 -0.0139 -0.3132 0.0493 -0.0205 -0.0069 0.0637 0.0649 0.0160 -0.0020 -0.0626 -0.1439 0.0064 -0.0031 0.2526 -0.0488 0.0126 0.0072 0.0398 -0.0064 0.0651 -0.1026 0.0051 -0.0143 -0.0169 -0.0179 -0.0139 0.0133 -0.0324 0.0252 -0.0991 0.1090 0.0112 -0.0136 0.0040 -0.0105 0.0117 -0.0095 0.0141 -0.0012 -0.0098 999. (0.00016) RY ( 8) S 22 s( 10.03%)p 3.71( 37.20%)d 4.44( 44.52%) f 0.79( 7.88%)g 0.04( 0.37%) 0.0000 0.0000 0.0042 0.2085 0.2383 -0.0005 0.0041 0.0001 0.0001 0.0000 -0.0136 -0.4251 0.0900 0.0198 0.0048 0.0000 -0.0023 -0.2045 -0.1149 -0.0160 -0.0027 0.0000 0.0320 0.1512 -0.3178 0.0498 -0.0010 -0.3721 -0.0336 -0.0139 -0.0034 0.0979 0.1028 0.0335 0.0046 0.2410 -0.1894 -0.0095 -0.0046 -0.2621 0.0380 0.0020 0.0000 -0.1795 0.2960 0.0060 0.0056 -0.0245 0.0667 -0.0824 0.0701 0.0391 -0.0587 -0.1789 0.0265 -0.0947 -0.0715 -0.0939 0.0363 -0.0113 -0.0033 -0.0314 -0.0085 -0.0432 0.0001 -0.0215 -0.0083 0.0081 0.0084 -0.0116 1000. (0.00008) RY ( 9) S 22 s( 3.48%)p16.07( 55.92%)d10.37( 36.08%) f 1.16( 4.03%)g 0.14( 0.49%) 1001. (0.00004) RY (10) S 22 s( 4.48%)p13.79( 61.81%)d 5.83( 26.14%) f 1.64( 7.34%)g 0.05( 0.22%) 1002. (0.00002) RY (11) S 22 s( 11.78%)p 2.69( 31.63%)d 2.91( 34.28%) f 1.81( 21.30%)g 0.09( 1.02%) 1003. (0.00001) RY (12) S 22 s( 22.98%)p 0.61( 14.09%)d 1.30( 29.77%) f 1.33( 30.61%)g 0.11( 2.54%) 1004. (0.00001) RY (13) S 22 s( 5.94%)p 8.21( 48.77%)d 3.08( 18.30%) f 4.34( 25.77%)g 0.21( 1.22%) 1005. (0.00000) RY (14) S 22 s( 2.25%)p 2.28( 5.13%)d 2.65( 5.96%) f10.94( 24.57%)g27.65( 62.10%) 1006. (0.00000) RY (15) S 22 s( 4.47%)p 1.67( 7.46%)d 8.73( 39.06%) f 3.32( 14.85%)g 7.64( 34.16%) 1007. (0.00000) RY (16) S 22 s( 2.11%)p 0.90( 1.90%)d11.86( 25.00%) f 9.81( 20.68%)g23.87( 50.31%) 1008. (0.00000) RY (17) S 22 s( 0.98%)p 3.20( 3.14%)d15.70( 15.40%) f17.70( 17.37%)g64.33( 63.11%) 1009. (0.00000) RY (18) S 22 s( 5.79%)p 1.07( 6.17%)d 3.82( 22.14%) f 6.37( 36.90%)g 5.01( 29.00%) 1010. (0.00000) RY (19) S 22 s( 10.97%)p 0.24( 2.63%)d 2.26( 24.79%) f 3.62( 39.68%)g 2.00( 21.94%) 1011. (0.00000) RY (20) S 22 s( 1.99%)p 4.17( 8.28%)d13.29( 26.43%) f15.13( 30.08%)g16.71( 33.23%) 1012. (0.00000) RY (21) S 22 s( 1.23%)p 7.55( 9.30%)d22.33( 27.50%) f21.29( 26.22%)g29.01( 35.74%) 1013. (0.00000) RY (22) S 22 s( 2.76%)p 1.53( 4.22%)d11.17( 30.84%) f 8.01( 22.12%)g14.51( 40.05%) 1014. (0.00000) RY (23) S 22 s( 0.29%)p42.82( 12.62%)d37.03( 10.91%) f99.99( 35.06%)g99.99( 41.12%) 1015. (0.00000) RY (24) S 22 s( 0.39%)p13.81( 5.35%)d80.66( 31.28%) f99.99( 42.81%)g52.03( 20.18%) 1016. (0.00000) RY (25) S 22 s( 1.91%)p10.11( 19.33%)d12.38( 23.67%) f13.51( 25.84%)g15.29( 29.24%) 1017. (0.00000) RY (26) S 22 s( 6.50%)p 1.80( 11.68%)d 2.29( 14.88%) f 2.95( 19.13%)g 7.36( 47.81%) 1018. (0.00000) RY (27) S 22 s( 15.86%)p 1.18( 18.69%)d 1.69( 26.86%) f 1.80( 28.53%)g 0.63( 10.07%) 1019. (0.00000) RY (28) S 22 s( 2.80%)p 3.67( 10.28%)d11.51( 32.22%) f12.22( 34.21%)g 7.32( 20.49%) 1020. (0.00000) RY (29) S 22 s( 21.24%)p 0.29( 6.19%)d 1.72( 36.43%) f 1.19( 25.34%)g 0.51( 10.81%) 1021. (0.00000) RY (30) S 22 s( 1.58%)p13.72( 21.70%)d16.41( 25.96%) f29.36( 46.46%)g 2.72( 4.30%) 1022. (0.00000) RY (31) S 22 s( 1.91%)p14.38( 27.43%)d11.55( 22.02%) f19.14( 36.51%)g 6.37( 12.14%) 1023. (0.00000) RY (32) S 22 s( 1.66%)p16.35( 27.22%)d18.85( 31.39%) f15.89( 26.46%)g 7.97( 13.27%) 1024. (0.00000) RY (33) S 22 s( 18.53%)p 0.28( 5.27%)d 0.96( 17.79%) f 2.09( 38.81%)g 1.06( 19.59%) 1025. (0.00000) RY (34) S 22 s( 1.14%)p17.22( 19.58%)d13.00( 14.78%) f53.33( 60.64%)g 3.40( 3.87%) 1026. (0.00000) RY (35) S 22 s( 9.28%)p 4.16( 38.63%)d 1.12( 10.43%) f 4.28( 39.75%)g 0.21( 1.91%) 1027. (0.00000) RY (36) S 22 s( 5.89%)p 2.48( 14.58%)d 6.14( 36.14%) f 3.30( 19.40%)g 4.08( 23.99%) 1028. (0.00000) RY (37) S 22 s( 5.58%)p 0.44( 2.43%)d 4.85( 27.08%) f10.38( 57.96%)g 1.24( 6.94%) 1029. (0.00000) RY (38) S 22 s( 1.18%)p 9.51( 11.24%)d29.36( 34.69%) f31.52( 37.25%)g13.24( 15.64%) 1030. (0.00000) RY (39) S 22 s( 1.29%)p 7.32( 9.46%)d22.37( 28.90%) f37.57( 48.53%)g 9.16( 11.83%) 1031. (0.00000) RY (40) S 22 s( 8.42%)p 0.88( 7.45%)d 6.27( 52.84%) f 2.28( 19.19%)g 1.44( 12.09%) 1032. (0.00000) RY (41) S 22 s( 19.36%)p 0.83( 15.99%)d 2.04( 39.40%) f 1.01( 19.64%)g 0.29( 5.62%) 1033. (0.00000) RY (42) S 22 s( 4.58%)p 5.68( 26.02%)d11.81( 54.06%) f 2.85( 13.07%)g 0.50( 2.28%) 1034. (0.00000) RY (43) S 22 s( 1.40%)p 4.18( 5.86%)d38.96( 54.56%) f20.53( 28.76%)g 6.73( 9.42%) 1035. (0.00000) RY (44) S 22 s( 2.72%)p 4.95( 13.48%)d17.71( 48.25%) f12.81( 34.89%)g 0.24( 0.66%) 1036. (0.00000) RY (45) S 22 s( 2.54%)p 1.85( 4.70%)d31.75( 80.57%) f 4.49( 11.40%)g 0.31( 0.79%) 1037. (0.00000) RY (46) S 22 s( 3.49%)p 5.02( 17.53%)d17.38( 60.64%) f 4.85( 16.93%)g 0.40( 1.41%) 1038. (0.00000) RY (47) S 22 s( 0.41%)p66.87( 27.62%)d99.99( 46.27%) f60.25( 24.88%)g 1.97( 0.81%) 1039. (0.00000) RY (48) S 22 s( 7.76%)p 2.85( 22.15%)d 5.36( 41.61%) f 3.24( 25.18%)g 0.43( 3.30%) 1040. (0.00001) RY (49) S 22 s( 5.97%)p 1.75( 10.42%)d 2.59( 15.44%) f10.80( 64.48%)g 0.62( 3.69%) 1041. (0.00000) RY (50) S 22 s( 98.39%)p 0.01( 1.07%)d 0.00( 0.37%) f 0.00( 0.06%)g 0.00( 0.10%) 1042. (0.00000) RY (51) S 22 s( 86.08%)p 0.07( 6.11%)d 0.05( 4.61%) f 0.01( 0.99%)g 0.03( 2.21%) 1043. (0.00000) RY (52) S 22 s( 27.68%)p 1.85( 51.16%)d 0.52( 14.27%) f 0.07( 1.96%)g 0.18( 4.93%) 1044. (0.00000) RY (53) S 22 s( 9.15%)p 4.13( 37.78%)d 1.86( 16.98%) f 2.21( 20.24%)g 1.73( 15.85%) 1045. (0.00000) RY (54) S 22 s( 23.35%)p 1.38( 32.19%)d 1.54( 35.91%) f 0.25( 5.92%)g 0.11( 2.63%) 1046. (0.00000) RY (55) S 22 s( 4.01%)p 4.80( 19.27%)d10.27( 41.22%) f 4.07( 16.34%)g 4.77( 19.16%) 1047. (0.00000) RY (56) S 22 s( 1.70%)p41.27( 69.98%)d 8.29( 14.06%) f 5.93( 10.06%)g 2.48( 4.21%) 1048. (0.00000) RY (57) S 22 s( 9.21%)p 1.81( 16.68%)d 1.29( 11.91%) f 5.74( 52.88%)g 1.01( 9.32%) 1049. (0.00000) RY (58) S 22 s( 14.77%)p 1.80( 26.66%)d 1.04( 15.41%) f 0.57( 8.46%)g 2.35( 34.69%) 1050. (0.00000) RY (59) S 22 s( 5.72%)p 0.69( 3.95%)d 6.03( 34.49%) f 2.39( 13.66%)g 7.38( 42.18%) 1051. (0.00000) RY (60) S 22 s( 4.46%)p 1.52( 6.80%)d 8.94( 39.90%) f 5.99( 26.72%)g 4.96( 22.12%) 1052. (0.00000) RY (61) S 22 s( 3.16%)p 3.01( 9.51%)d12.74( 40.22%) f 4.84( 15.27%)g10.09( 31.84%) 1053. (0.01017) RY ( 1) S 23 s( 14.61%)p 0.09( 1.38%)d 5.64( 82.44%) f 0.10( 1.41%)g 0.01( 0.16%) 0.0000 0.0000 -0.0221 0.3815 0.0066 -0.0023 -0.0003 0.0001 -0.0001 0.0000 0.0437 0.0122 -0.0338 -0.0050 0.0003 0.0000 -0.0351 0.0748 0.0545 0.0083 -0.0003 0.0000 0.0043 -0.0246 -0.0088 -0.0022 0.0000 0.2014 -0.0057 -0.0010 -0.0010 -0.0535 0.0006 -0.0002 0.0003 0.3058 -0.0102 0.0082 -0.0011 0.1132 -0.0367 0.0091 -0.0006 0.8201 -0.0082 0.0182 -0.0024 -0.0394 -0.0026 -0.0678 -0.0205 0.0714 0.0037 -0.0209 -0.0005 -0.0302 -0.0077 -0.0306 -0.0034 -0.0098 -0.0046 0.0288 0.0042 0.0212 0.0033 -0.0125 0.0055 0.0051 0.0100 -0.0002 1054. (0.00618) RY ( 2) S 23 s( 0.00%)p 1.00( 23.93%)d 3.02( 72.37%) f 0.15( 3.52%)g 0.01( 0.17%) 0.0000 0.0000 -0.0002 0.0050 0.0009 -0.0001 -0.0001 0.0000 0.0000 0.0000 -0.0010 -0.0135 0.0015 -0.0006 0.0000 0.0000 0.0274 0.0789 -0.0089 0.0004 -0.0002 0.0000 0.1527 0.4530 -0.0594 -0.0019 -0.0008 0.1259 -0.0039 0.0037 -0.0001 0.6106 -0.0101 0.0187 -0.0001 -0.5345 -0.0258 -0.0142 0.0005 0.0859 0.0045 0.0021 0.0000 0.2012 0.0091 0.0052 -0.0003 0.1197 0.0368 -0.0373 -0.0120 0.0618 0.0181 -0.0046 -0.0036 0.1079 0.0378 -0.0259 -0.0081 -0.0041 -0.0010 -0.0017 -0.0071 0.0047 0.0061 -0.0138 -0.0264 -0.0252 0.0075 -0.0061 1055. (0.00235) RY ( 3) S 23 s( 10.95%)p 4.70( 51.48%)d 3.31( 36.24%) f 0.11( 1.20%)g 0.01( 0.13%) 0.0000 0.0000 0.0008 0.3308 -0.0057 0.0020 -0.0022 0.0004 0.0001 0.0000 -0.0020 0.5437 -0.0651 0.0233 0.0004 0.0000 -0.0052 0.4517 0.0763 0.0071 0.0001 0.0000 0.0028 -0.0635 -0.0178 -0.0015 -0.0001 0.1287 0.0046 -0.0042 0.0022 0.0112 0.0020 0.0015 -0.0005 0.0090 -0.0018 0.0023 -0.0012 0.4978 0.0114 0.0139 -0.0061 -0.3121 -0.0048 -0.0017 0.0003 0.0112 0.0160 0.0453 -0.0398 -0.0194 -0.0345 -0.0107 0.0083 0.0027 -0.0135 -0.0572 -0.0150 0.0504 0.0050 -0.0103 -0.0009 0.0050 0.0247 0.0065 0.0028 0.0077 -0.0005 -0.0208 1056. (0.00169) RY ( 4) S 23 s( 0.01%)p99.99( 12.26%)d99.99( 85.26%) f99.99( 2.25%)g17.71( 0.23%) 0.0000 0.0000 0.0001 0.0113 0.0008 0.0008 -0.0001 0.0000 0.0000 0.0000 -0.0007 0.0179 -0.0038 0.0011 0.0001 0.0000 -0.0011 -0.0397 0.0345 -0.0020 -0.0001 0.0000 -0.0063 -0.3054 0.1611 -0.0124 -0.0005 -0.0616 -0.0219 -0.0003 0.0020 -0.4850 -0.1145 -0.0008 0.0101 -0.7261 -0.0265 0.0035 0.0005 0.1499 0.0070 -0.0004 -0.0004 0.2222 0.0072 -0.0007 -0.0002 0.0248 -0.0109 -0.0035 -0.0045 0.0468 0.0169 0.1105 0.0732 0.0218 0.0131 -0.0092 -0.0042 0.0250 0.0162 0.0100 -0.0215 -0.0167 0.0022 -0.0181 -0.0279 0.0162 -0.0032 -0.0085 1057. (0.00034) RY ( 5) S 23 s( 2.83%)p28.12( 79.65%)d 5.57( 15.77%) f 0.48( 1.37%)g 0.13( 0.37%) 0.0000 0.0000 -0.0186 0.0548 0.1578 -0.0085 0.0029 0.0001 0.0001 0.0000 0.0364 0.4716 0.3419 -0.0075 -0.0010 0.0000 -0.0093 -0.6514 -0.1024 0.0140 0.0005 0.0000 0.0030 0.1419 0.0226 -0.0024 -0.0003 -0.2845 -0.0514 -0.0222 -0.0006 0.0360 0.0289 0.0001 0.0001 0.0522 -0.0050 0.0043 0.0039 0.2380 -0.0821 -0.0020 0.0065 0.0645 0.0281 0.0164 0.0110 -0.0100 -0.0321 0.0390 -0.0105 0.0271 0.0712 -0.0221 -0.0231 0.0209 0.0006 0.0068 0.0180 0.0562 -0.0128 0.0159 0.0070 -0.0120 -0.0463 -0.0151 0.0030 -0.0232 -0.0105 0.0143 1058. (0.00023) RY ( 6) S 23 s( 16.77%)p 1.89( 31.73%)d 2.81( 47.15%) f 0.21( 3.45%)g 0.05( 0.91%) 0.0000 0.0000 -0.0119 0.3715 -0.1701 -0.0239 0.0040 0.0002 0.0001 0.0000 0.0315 0.1608 -0.4123 0.0065 -0.0026 0.0000 -0.0432 0.0464 -0.3289 -0.0228 0.0023 0.0000 0.0082 -0.0820 0.0313 -0.0016 0.0011 -0.5505 0.0198 0.0055 -0.0017 0.1483 -0.0622 0.0102 -0.0009 -0.0579 -0.0490 -0.0110 0.0061 -0.3356 0.0529 -0.0031 -0.0069 0.0531 -0.1309 -0.0250 0.0101 0.0117 0.0010 0.1552 -0.0378 -0.0143 -0.0151 -0.0139 0.0156 0.0480 -0.0127 0.0324 0.0022 0.0575 0.0332 -0.0442 0.0139 -0.0084 0.0526 -0.0484 0.0173 0.0237 -0.0211 -0.0213 1059. (0.00018) RY ( 7) S 23 s( 1.52%)p22.73( 34.52%)d38.17( 57.96%) f 3.16( 4.80%)g 0.79( 1.20%) 0.0000 0.0000 0.0016 0.1229 0.0051 -0.0064 0.0044 -0.0001 0.0001 0.0000 -0.0152 0.1198 0.0367 0.0055 -0.0008 0.0000 -0.0070 0.1202 -0.0922 0.0164 -0.0010 0.0000 0.0034 0.4896 0.2529 0.0476 -0.0101 0.0632 0.0148 -0.0068 -0.0024 -0.3955 0.5717 -0.0763 0.0014 -0.0499 0.0565 0.0079 -0.0216 -0.2539 0.0742 -0.0164 0.0015 -0.0228 0.0938 -0.0194 0.0104 0.0573 0.0589 0.0040 -0.0639 0.0229 0.0150 0.0787 -0.1388 0.0883 0.0366 -0.0010 -0.0093 -0.0362 -0.0187 -0.0113 0.0544 0.0208 0.0241 -0.0040 0.0087 -0.0866 0.0187 0.0018 1060. (0.00017) RY ( 8) S 23 s( 3.14%)p 8.76( 27.54%)d20.40( 64.10%) f 1.52( 4.77%)g 0.15( 0.46%) 0.0000 0.0000 0.0059 0.1579 0.0785 -0.0127 0.0115 -0.0003 0.0002 0.0000 -0.0401 0.2719 0.2787 0.0098 -0.0018 0.0000 -0.0064 0.0009 -0.2737 0.0304 0.0022 0.0000 -0.0015 -0.2056 -0.0564 -0.0259 0.0042 0.4286 -0.2348 0.0130 -0.0084 0.0762 -0.2218 0.0323 0.0005 -0.0865 0.1127 -0.0187 0.0112 -0.4749 0.1689 -0.0345 -0.0052 -0.0416 0.2604 -0.0193 0.0023 0.0034 -0.0704 0.0420 -0.0923 -0.0560 0.0664 0.0104 0.0368 -0.0283 -0.0532 0.0408 0.0060 -0.1321 0.0254 0.0229 -0.0054 -0.0090 -0.0287 -0.0407 0.0127 0.0333 -0.0121 0.0056 1061. (0.00005) RY ( 9) S 23 s( 0.03%)p99.99( 39.84%)d99.99( 36.26%) f99.99( 21.77%)g66.37( 2.10%) 1062. (0.00003) RY (10) S 23 s( 1.10%)p31.55( 34.62%)d47.86( 52.53%) f 9.76( 10.71%)g 0.95( 1.04%) 1063. (0.00002) RY (11) S 23 s( 5.75%)p 9.22( 53.00%)d 5.86( 33.66%) f 1.15( 6.60%)g 0.17( 0.99%) 1064. (0.00001) RY (12) S 23 s( 0.12%)p99.99( 45.90%)d99.99( 26.97%) f99.99( 21.03%)g50.78( 5.98%) 1065. (0.00001) RY (13) S 23 s( 4.87%)p 8.08( 39.34%)d 5.09( 24.78%) f 6.28( 30.56%)g 0.09( 0.45%) 1066. (0.00000) RY (14) S 23 s( 0.49%)p43.64( 21.31%)d43.44( 21.21%) f54.24( 26.48%)g62.48( 30.51%) 1067. (0.00000) RY (15) S 23 s( 12.04%)p 0.23( 2.80%)d 3.78( 45.48%) f 1.96( 23.58%)g 1.34( 16.09%) 1068. (0.00000) RY (16) S 23 s( 1.23%)p 7.71( 9.48%)d33.59( 41.32%) f19.12( 23.51%)g19.89( 24.46%) 1069. (0.00000) RY (17) S 23 s( 4.02%)p 0.66( 2.67%)d 5.13( 20.66%) f10.80( 43.47%)g 7.25( 29.17%) 1070. (0.00000) RY (18) S 23 s( 1.93%)p 5.96( 11.49%)d19.59( 37.74%) f19.50( 37.56%)g 5.85( 11.28%) 1071. (0.00000) RY (19) S 23 s( 1.54%)p 2.35( 3.60%)d20.23( 31.07%) f33.37( 51.26%)g 8.15( 12.52%) 1072. (0.00000) RY (20) S 23 s( 2.87%)p 3.89( 11.16%)d 8.90( 25.56%) f 6.44( 18.49%)g14.59( 41.92%) 1073. (0.00000) RY (21) S 23 s( 1.16%)p 1.81( 2.10%)d23.12( 26.92%) f26.40( 30.74%)g33.56( 39.07%) 1074. (0.00000) RY (22) S 23 s( 3.48%)p 2.80( 9.76%)d10.92( 38.04%) f 8.53( 29.71%)g 5.46( 19.01%) 1075. (0.00000) RY (23) S 23 s( 6.10%)p 0.39( 2.38%)d 2.61( 15.92%) f 8.32( 50.77%)g 4.07( 24.83%) 1076. (0.00000) RY (24) S 23 s( 2.22%)p 6.93( 15.42%)d10.09( 22.43%) f18.41( 40.94%)g 8.54( 18.99%) 1077. (0.00000) RY (25) S 23 s( 1.73%)p 3.02( 5.24%)d 9.14( 15.84%) f29.55( 51.24%)g14.96( 25.94%) 1078. (0.00000) RY (26) S 23 s( 0.46%)p11.66( 5.32%)d33.14( 15.10%) f77.69( 35.41%)g95.89( 43.71%) 1079. (0.00000) RY (27) S 23 s( 2.56%)p 8.69( 22.28%)d 7.42( 19.00%) f15.57( 39.88%)g 6.35( 16.28%) 1080. (0.00000) RY (28) S 23 s( 0.58%)p34.99( 20.44%)d22.19( 12.97%) f87.24( 50.98%)g25.73( 15.03%) 1081. (0.00000) RY (29) S 23 s( 15.02%)p 1.88( 28.18%)d 1.01( 15.17%) f 1.22( 18.28%)g 1.56( 23.36%) 1082. (0.00000) RY (30) S 23 s( 1.65%)p27.74( 45.75%)d 5.92( 9.76%) f16.56( 27.31%)g 9.42( 15.53%) 1083. (0.00000) RY (31) S 23 s( 2.42%)p 2.72( 6.59%)d 7.58( 18.38%) f14.81( 35.91%)g15.14( 36.70%) 1084. (0.00000) RY (32) S 23 s( 50.60%)p 0.09( 4.48%)d 0.21( 10.76%) f 0.23( 11.49%)g 0.45( 22.67%) 1085. (0.00000) RY (33) S 23 s( 2.51%)p10.94( 27.45%)d13.98( 35.07%) f12.54( 31.45%)g 1.41( 3.53%) 1086. (0.00000) RY (34) S 23 s( 14.63%)p 1.06( 15.57%)d 0.86( 12.58%) f 1.82( 26.62%)g 2.09( 30.59%) 1087. (0.00000) RY (35) S 23 s( 0.29%)p83.25( 24.14%)d72.53( 21.03%) f99.99( 38.95%)g53.80( 15.60%) 1088. (0.00000) RY (36) S 23 s( 17.84%)p 0.22( 4.00%)d 2.70( 48.12%) f 1.22( 21.78%)g 0.46( 8.26%) 1089. (0.00000) RY (37) S 23 s( 0.57%)p16.59( 9.38%)d36.79( 20.80%) f83.51( 47.21%)g39.00( 22.05%) 1090. (0.00000) RY (38) S 23 s( 1.77%)p 3.92( 6.95%)d39.27( 69.66%) f10.55( 18.72%)g 1.63( 2.89%) 1091. (0.00000) RY (39) S 23 s( 0.13%)p57.77( 7.30%)d99.99( 22.42%) f99.99( 60.16%)g79.19( 10.00%) 1092. (0.00000) RY (40) S 23 s( 9.99%)p 2.07( 20.66%)d 3.43( 34.24%) f 2.93( 29.27%)g 0.58( 5.83%) 1093. (0.00000) RY (41) S 23 s( 0.10%)p72.53( 6.92%)d99.99( 55.85%) f99.99( 25.59%)g99.99( 11.55%) 1094. (0.00000) RY (42) S 23 s( 7.31%)p 2.78( 20.33%)d 8.42( 61.49%) f 1.10( 8.01%)g 0.39( 2.86%) 1095. (0.00000) RY (43) S 23 s( 16.17%)p 1.81( 29.25%)d 2.51( 40.64%) f 0.70( 11.36%)g 0.16( 2.58%) 1096. (0.00000) RY (44) S 23 s( 8.22%)p 2.12( 17.42%)d 7.94( 65.27%) f 1.04( 8.54%)g 0.07( 0.56%) 1097. (0.00000) RY (45) S 23 s( 43.78%)p 0.32( 14.05%)d 0.59( 25.71%) f 0.36( 15.77%)g 0.02( 0.68%) 1098. (0.00000) RY (46) S 23 s( 3.34%)p 1.24( 4.14%)d25.60( 85.45%) f 1.84( 6.13%)g 0.28( 0.94%) 1099. (0.00000) RY (47) S 23 s( 0.08%)p85.28( 7.17%)d99.99( 15.42%) f99.99( 76.17%)g13.81( 1.16%) 1100. (0.00000) RY (48) S 23 s( 17.54%)p 1.20( 21.04%)d 2.15( 37.69%) f 1.25( 21.86%)g 0.11( 1.86%) 1101. (0.00000) RY (49) S 23 s( 97.93%)p 0.01( 1.09%)d 0.01( 0.53%) f 0.00( 0.16%)g 0.00( 0.29%) 1102. (0.00000) RY (50) S 23 s( 90.93%)p 0.07( 6.78%)d 0.01( 0.95%) f 0.00( 0.18%)g 0.01( 1.16%) 1103. (0.00000) RY (51) S 23 s( 32.39%)p 0.83( 26.75%)d 0.81( 26.35%) f 0.20( 6.40%)g 0.25( 8.11%) 1104. (0.00000) RY (52) S 23 s( 4.72%)p12.68( 59.79%)d 4.49( 21.16%) f 0.86( 4.06%)g 2.18( 10.26%) 1105. (0.00000) RY (53) S 23 s( 20.49%)p 2.57( 52.75%)d 0.27( 5.57%) f 0.26( 5.36%)g 0.77( 15.83%) 1106. (0.00000) RY (54) S 23 s( 1.91%)p10.58( 20.21%)d 6.98( 13.34%) f13.33( 25.47%)g20.46( 39.08%) 1107. (0.00000) RY (55) S 23 s( 1.15%)p 9.33( 10.70%)d28.28( 32.45%) f14.97( 17.18%)g33.56( 38.52%) 1108. (0.00000) RY (56) S 23 s( 4.73%)p 2.48( 11.74%)d 3.62( 17.14%) f 4.96( 23.46%)g 9.07( 42.92%) 1109. (0.00000) RY (57) S 23 s( 6.48%)p 2.41( 15.60%)d 8.84( 57.29%) f 2.26( 14.68%)g 0.92( 5.94%) 1110. (0.00000) RY (58) S 23 s( 0.63%)p11.83( 7.47%)d42.17( 26.64%) f59.47( 37.57%)g43.81( 27.68%) 1111. (0.00000) RY (59) S 23 s( 5.73%)p 2.05( 11.77%)d 4.22( 24.18%) f 0.60( 3.46%)g 9.58( 54.87%) 1112. (0.00000) RY (60) S 23 s( 11.18%)p 1.39( 15.49%)d 2.30( 25.74%) f 3.13( 34.99%)g 1.13( 12.60%) 1113. (0.00000) RY (61) S 23 s( 3.36%)p 6.48( 21.75%)d 4.67( 15.68%) f 5.58( 18.72%)g12.07( 40.50%) 1114. (0.00895) RY ( 1) S 24 s( 9.14%)p 0.51( 4.69%)d 9.20( 84.10%) f 0.21( 1.91%)g 0.02( 0.16%) 0.0000 0.0000 -0.0226 0.3011 0.0143 -0.0034 -0.0002 0.0000 -0.0001 0.0000 0.0094 0.1277 0.0148 0.0021 -0.0001 0.0000 0.0442 0.1111 -0.0576 -0.0096 0.0009 0.0000 0.0356 0.0999 -0.0355 -0.0075 0.0004 -0.2674 -0.0048 -0.0043 0.0005 -0.6630 -0.0196 -0.0134 0.0019 -0.0454 0.0011 0.0048 0.0003 0.5488 -0.0225 0.0073 -0.0001 0.1599 0.0007 0.0020 -0.0006 -0.0391 -0.0088 0.0338 0.0043 -0.0396 -0.0075 0.0062 0.0026 0.0885 0.0118 -0.0721 -0.0103 -0.0368 -0.0060 -0.0189 0.0120 0.0108 0.0188 -0.0058 -0.0144 0.0036 0.0184 0.0084 1115. (0.00485) RY ( 2) S 24 s( 0.39%)p54.47( 21.31%)d99.99( 74.12%) f10.16( 3.98%)g 0.51( 0.20%) 0.0000 0.0000 -0.0039 0.0622 -0.0047 -0.0015 -0.0002 0.0001 0.0000 0.0000 0.1198 -0.3022 -0.0372 -0.0004 -0.0006 0.0000 0.0008 -0.0593 0.0393 0.0037 -0.0006 0.0000 -0.0828 0.3060 0.0222 0.0019 0.0001 0.6133 0.0032 0.0122 0.0004 -0.0727 -0.0035 0.0009 0.0003 -0.4884 -0.0252 -0.0121 0.0019 0.2531 0.0009 0.0078 -0.0004 -0.2369 0.0051 -0.0048 -0.0010 -0.0074 -0.0086 0.0571 0.0139 0.0732 0.0251 -0.0946 -0.0399 -0.0095 -0.0006 0.0957 0.0350 -0.0931 -0.0223 0.0188 0.0015 0.0073 0.0240 -0.0074 -0.0123 0.0037 -0.0280 0.0015 1116. (0.00429) RY ( 3) S 24 s( 0.03%)p99.99( 35.95%)d99.99( 62.31%) f55.60( 1.41%)g11.92( 0.30%) 0.0000 0.0000 0.0022 0.0136 0.0074 0.0022 -0.0018 0.0002 0.0001 0.0000 0.0158 -0.3036 -0.0684 -0.0023 0.0016 0.0000 -0.0010 0.3819 -0.0419 -0.0009 0.0000 0.0000 -0.0353 -0.3366 0.0168 0.0013 0.0003 -0.1347 0.0075 -0.0003 -0.0008 0.4042 -0.0075 0.0156 -0.0041 0.1610 0.0312 -0.0045 -0.0008 0.5712 -0.0077 0.0162 -0.0050 -0.2961 0.0010 -0.0047 0.0020 0.0528 0.0157 0.0189 0.0287 0.0131 0.0135 -0.0319 -0.0146 -0.0421 -0.0350 -0.0534 -0.0302 -0.0377 -0.0089 0.0183 -0.0106 -0.0140 -0.0190 -0.0093 -0.0173 0.0293 0.0207 0.0183 1117. (0.00137) RY ( 4) S 24 s( 1.98%)p13.41( 26.53%)d35.01( 69.28%) f 1.01( 2.00%)g 0.10( 0.20%) 0.0000 0.0000 0.0036 0.1395 0.0180 -0.0013 -0.0013 0.0002 0.0000 0.0000 -0.0182 -0.0204 0.1087 0.0000 0.0013 0.0000 -0.0102 0.1903 -0.0743 0.0001 -0.0006 0.0000 0.0187 -0.4572 -0.0390 -0.0003 0.0008 0.3448 0.0270 0.0054 -0.0042 0.1169 -0.0463 0.0032 0.0005 -0.2089 0.0362 -0.0028 -0.0004 0.0382 -0.0236 0.0063 -0.0004 0.7116 0.0617 0.0098 -0.0070 -0.0914 -0.0621 -0.0025 0.0260 -0.0494 -0.0384 -0.0093 0.0039 -0.0035 -0.0161 0.0486 0.0157 0.0087 0.0123 0.0055 -0.0255 0.0319 0.0025 0.0053 -0.0117 -0.0106 -0.0009 -0.0068 1118. (0.00029) RY ( 5) S 24 s( 34.76%)p 0.92( 32.11%)d 0.90( 31.30%) f 0.04( 1.43%)g 0.01( 0.40%) 0.0000 0.0000 -0.0148 0.5761 -0.1226 -0.0219 -0.0024 0.0005 0.0002 0.0000 0.0068 -0.2557 -0.2891 0.0011 -0.0009 0.0000 0.0536 -0.1462 0.2307 0.0015 -0.0004 0.0000 0.0251 -0.2510 -0.1743 0.0234 -0.0054 0.2116 -0.0137 0.0258 -0.0100 -0.1861 0.0129 0.0081 -0.0024 0.3613 -0.0358 -0.0018 0.0041 -0.2084 -0.0346 -0.0025 0.0000 -0.1560 0.1757 -0.0260 -0.0026 0.0288 -0.0378 -0.0326 0.0166 -0.0635 -0.0302 0.0398 0.0398 -0.0455 0.0042 -0.0150 0.0034 -0.0058 0.0164 -0.0136 -0.0232 0.0425 -0.0167 -0.0238 0.0129 -0.0205 0.0065 0.0039 1119. (0.00028) RY ( 6) S 24 s( 4.52%)p 9.82( 44.43%)d10.73( 48.51%) f 0.43( 1.96%)g 0.13( 0.58%) 0.0000 0.0000 -0.0187 -0.0705 0.1997 -0.0049 0.0013 -0.0001 0.0000 0.0000 0.0262 -0.1398 0.2472 0.0164 -0.0032 0.0000 0.0133 -0.5427 0.0595 -0.0198 0.0015 0.0000 0.0324 0.0217 0.2460 -0.0441 0.0030 0.2026 -0.1688 -0.0037 0.0069 0.0455 -0.0185 -0.0359 0.0045 0.4543 0.0048 0.0564 -0.0091 0.3042 0.0015 0.0021 0.0018 0.1994 -0.2615 0.0371 0.0060 -0.0117 0.0543 -0.0089 0.0455 0.0056 0.0135 -0.0009 0.0007 -0.0420 0.0347 -0.0694 -0.0263 -0.0592 -0.0464 -0.0034 0.0350 -0.0596 -0.0029 0.0013 -0.0039 0.0253 0.0068 0.0158 1120. (0.00024) RY ( 7) S 24 s( 14.47%)p 3.48( 50.43%)d 2.12( 30.72%) f 0.30( 4.27%)g 0.01( 0.10%) 0.0000 0.0000 -0.0030 0.3772 -0.0408 0.0217 -0.0178 0.0005 -0.0003 0.0000 0.0276 -0.0670 -0.2425 0.0098 0.0043 0.0000 0.0059 0.1238 -0.3018 0.0410 0.0027 0.0000 0.0158 0.5744 0.0378 -0.0202 0.0017 -0.0674 -0.1115 -0.0203 -0.0099 0.3838 -0.0131 0.0280 0.0117 0.1498 -0.1381 0.0024 0.0040 -0.0117 -0.1152 0.0130 -0.0036 0.2916 -0.0227 0.0235 0.0062 -0.0382 0.0220 0.0546 -0.0828 -0.0128 -0.0030 0.0563 -0.0233 0.0327 -0.0555 -0.0428 0.0296 -0.0938 0.1069 0.0120 0.0022 -0.0009 -0.0018 0.0245 0.0027 -0.0131 0.0089 -0.0048 1121. (0.00015) RY ( 8) S 24 s( 12.15%)p 2.56( 31.11%)d 3.97( 48.27%) f 0.67( 8.09%)g 0.03( 0.38%) 0.0000 0.0000 0.0040 0.2505 0.2423 -0.0031 0.0020 0.0002 0.0001 0.0000 -0.0120 -0.3642 0.0662 0.0228 0.0053 0.0000 -0.0119 -0.2297 -0.0020 -0.0287 -0.0022 0.0000 -0.0284 -0.0628 0.3368 -0.0385 0.0011 -0.3824 -0.0691 -0.0304 -0.0079 0.0705 -0.1038 -0.0238 -0.0022 -0.3795 0.3379 0.0109 0.0085 -0.1270 -0.0779 -0.0005 -0.0020 0.0006 0.1838 -0.0058 0.0014 -0.0579 -0.0002 -0.1046 0.0163 0.1147 -0.0962 0.1237 0.0151 -0.0142 0.1048 -0.1201 -0.0010 0.0528 0.0027 -0.0507 0.0137 -0.0079 -0.0085 0.0015 0.0250 -0.0102 0.0108 -0.0027 1122. (0.00008) RY ( 9) S 24 s( 4.11%)p13.64( 56.06%)d 8.44( 34.68%) f 1.14( 4.68%)g 0.11( 0.47%) 1123. (0.00004) RY (10) S 24 s( 2.97%)p22.60( 67.09%)d 7.97( 23.68%) f 2.05( 6.09%)g 0.06( 0.18%) 1124. (0.00002) RY (11) S 24 s( 10.68%)p 2.95( 31.51%)d 2.78( 29.68%) f 2.49( 26.57%)g 0.15( 1.56%) 1125. (0.00001) RY (12) S 24 s( 17.25%)p 1.02( 17.60%)d 1.65( 28.40%) f 2.03( 35.06%)g 0.10( 1.69%) 1126. (0.00001) RY (13) S 24 s( 3.73%)p11.61( 43.25%)d 7.96( 29.68%) f 5.57( 20.75%)g 0.69( 2.59%) 1127. (0.00001) RY (14) S 24 s( 18.27%)p 0.25( 4.51%)d 2.48( 45.38%) f 1.64( 30.00%)g 0.10( 1.83%) 1128. (0.00000) RY (15) S 24 s( 5.33%)p 1.77( 9.43%)d 6.78( 36.10%) f 9.07( 48.32%)g 0.16( 0.83%) 1129. (0.00000) RY (16) S 24 s( 2.77%)p14.80( 41.07%)d 8.20( 22.76%) f11.63( 32.27%)g 0.40( 1.12%) 1130. (0.00000) RY (17) S 24 s( 2.15%)p 1.99( 4.29%)d 9.67( 20.81%) f 7.12( 15.31%)g26.70( 57.44%) 1131. (0.00000) RY (18) S 24 s( 1.08%)p 3.08( 3.33%)d19.08( 20.65%) f30.44( 32.95%)g38.80( 41.99%) 1132. (0.00000) RY (19) S 24 s( 1.54%)p 3.04( 4.68%)d25.94( 39.97%) f 4.10( 6.32%)g30.81( 47.48%) 1133. (0.00000) RY (20) S 24 s( 1.27%)p 3.99( 5.05%)d10.87( 13.76%) f25.87( 32.73%)g37.30( 47.20%) 1134. (0.00000) RY (21) S 24 s( 5.22%)p 1.27( 6.62%)d 3.40( 17.78%) f 8.87( 46.35%)g 4.60( 24.03%) 1135. (0.00000) RY (22) S 24 s( 10.49%)p 0.32( 3.33%)d 2.91( 30.56%) f 1.63( 17.12%)g 3.67( 38.50%) 1136. (0.00000) RY (23) S 24 s( 4.26%)p 3.97( 16.89%)d 6.05( 25.74%) f 4.30( 18.29%)g 8.18( 34.82%) 1137. (0.00000) RY (24) S 24 s( 0.16%)p30.13( 4.75%)d83.53( 13.15%) f99.99( 37.89%)g99.99( 44.05%) 1138. (0.00000) RY (25) S 24 s( 0.44%)p15.53( 6.84%)d75.69( 33.35%) f82.39( 36.31%)g52.32( 23.06%) 1139. (0.00000) RY (26) S 24 s( 10.53%)p 0.47( 4.94%)d 1.87( 19.74%) f 2.65( 27.94%)g 3.50( 36.85%) 1140. (0.00000) RY (27) S 24 s( 0.70%)p17.86( 12.47%)d44.86( 31.33%) f34.36( 24.00%)g45.10( 31.50%) 1141. (0.00000) RY (28) S 24 s( 7.38%)p 3.93( 29.02%)d 3.31( 24.45%) f 2.50( 18.43%)g 2.81( 20.72%) 1142. (0.00000) RY (29) S 24 s( 19.32%)p 0.74( 14.26%)d 1.59( 30.75%) f 1.33( 25.77%)g 0.51( 9.90%) 1143. (0.00000) RY (30) S 24 s( 4.53%)p 3.29( 14.87%)d 7.62( 34.49%) f 7.62( 34.51%)g 2.56( 11.59%) 1144. (0.00000) RY (31) S 24 s( 3.79%)p 0.85( 3.22%)d10.82( 41.02%) f 8.57( 32.47%)g 5.15( 19.50%) 1145. (0.00000) RY (32) S 24 s( 1.53%)p16.86( 25.82%)d12.17( 18.63%) f23.38( 35.80%)g11.89( 18.21%) 1146. (0.00000) RY (33) S 24 s( 6.63%)p 3.19( 21.15%)d 1.82( 12.04%) f 6.83( 45.25%)g 2.25( 14.93%) 1147. (0.00000) RY (34) S 24 s( 4.40%)p 4.75( 20.92%)d 5.11( 22.50%) f 8.34( 36.72%)g 3.51( 15.45%) 1148. (0.00000) RY (35) S 24 s( 6.54%)p 3.28( 21.44%)d 4.96( 32.42%) f 4.82( 31.55%)g 1.23( 8.05%) 1149. (0.00000) RY (36) S 24 s( 1.38%)p11.74( 16.17%)d18.00( 24.80%) f33.61( 46.31%)g 8.23( 11.34%) 1150. (0.00000) RY (37) S 24 s( 14.20%)p 0.84( 11.92%)d 0.84( 11.95%) f 4.15( 58.94%)g 0.21( 2.99%) 1151. (0.00000) RY (38) S 24 s( 5.96%)p 4.15( 24.76%)d 3.09( 18.46%) f 5.78( 34.49%)g 2.74( 16.33%) 1152. (0.00000) RY (39) S 24 s( 5.35%)p 0.84( 4.52%)d 5.47( 29.23%) f 9.55( 51.05%)g 1.84( 9.86%) 1153. (0.00000) RY (40) S 24 s( 3.09%)p 4.81( 14.88%)d12.30( 38.03%) f11.01( 34.04%)g 3.22( 9.96%) 1154. (0.00000) RY (41) S 24 s( 0.68%)p12.02( 8.20%)d45.46( 31.00%) f48.39( 33.00%)g39.77( 27.12%) 1155. (0.00000) RY (42) S 24 s( 3.81%)p 3.97( 15.15%)d 8.97( 34.21%) f10.70( 40.81%)g 1.58( 6.01%) 1156. (0.00000) RY (43) S 24 s( 12.36%)p 0.77( 9.47%)d 4.47( 55.24%) f 1.40( 17.34%)g 0.45( 5.59%) 1157. (0.00000) RY (44) S 24 s( 15.19%)p 1.92( 29.14%)d 2.99( 45.44%) f 0.60( 9.15%)g 0.07( 1.08%) 1158. (0.00000) RY (45) S 24 s( 5.72%)p 2.36( 13.49%)d 7.76( 44.39%) f 4.55( 26.04%)g 1.81( 10.36%) 1159. (0.00000) RY (46) S 24 s( 2.17%)p 5.65( 12.28%)d21.12( 45.90%) f17.07( 37.09%)g 1.18( 2.56%) 1160. (0.00000) RY (47) S 24 s( 1.32%)p 5.37( 7.11%)d62.24( 82.40%) f 6.36( 8.42%)g 0.56( 0.75%) 1161. (0.00000) RY (48) S 24 s( 3.37%)p 4.52( 15.22%)d18.71( 62.96%) f 5.10( 17.17%)g 0.38( 1.28%) 1162. (0.00000) RY (49) S 24 s( 96.87%)p 0.02( 2.10%)d 0.00( 0.43%) f 0.00( 0.41%)g 0.00( 0.20%) 1163. (0.00000) RY (50) S 24 s( 82.63%)p 0.13( 10.91%)d 0.06( 4.72%) f 0.01( 0.81%)g 0.01( 0.94%) 1164. (0.00000) RY (51) S 24 s( 38.27%)p 1.17( 44.85%)d 0.26( 9.90%) f 0.12( 4.69%)g 0.06( 2.29%) 1165. (0.00000) RY (52) S 24 s( 17.09%)p 3.81( 65.03%)d 0.49( 8.37%) f 0.26( 4.49%)g 0.29( 5.02%) 1166. (0.00000) RY (53) S 24 s( 4.15%)p 5.01( 20.76%)d15.48( 64.20%) f 1.60( 6.63%)g 1.03( 4.27%) 1167. (0.00000) RY (54) S 24 s( 2.09%)p 8.35( 17.46%)d 8.49( 17.77%) f23.14( 48.42%)g 6.82( 14.26%) 1168. (0.00000) RY (55) S 24 s( 1.57%)p17.49( 27.39%)d15.44( 24.18%) f17.33( 27.15%)g12.59( 19.72%) 1169. (0.00000) RY (56) S 24 s( 21.15%)p 0.93( 19.63%)d 1.63( 34.55%) f 0.44( 9.28%)g 0.73( 15.38%) 1170. (0.00000) RY (57) S 24 s( 1.10%)p37.37( 41.09%)d17.12( 18.82%) f23.91( 26.29%)g11.55( 12.70%) 1171. (0.00000) RY (58) S 24 s( 3.99%)p 3.53( 14.08%)d 4.02( 16.05%) f 3.73( 14.90%)g12.76( 50.97%) 1172. (0.00000) RY (59) S 24 s( 15.16%)p 0.58( 8.82%)d 1.96( 29.71%) f 2.01( 30.54%)g 1.04( 15.77%) 1173. (0.00000) RY (60) S 24 s( 3.02%)p 1.23( 3.71%)d 5.57( 16.84%) f 3.97( 12.00%)g21.32( 64.43%) 1174. (0.00000) RY (61) S 24 s( 3.53%)p 1.16( 4.09%)d12.94( 45.66%) f 4.46( 15.75%)g 8.77( 30.96%) 1175. (0.00329) RY ( 1) S 25 s( 3.55%)p 4.00( 14.20%)d22.53( 79.97%) f 0.55( 1.96%)g 0.09( 0.32%) 0.0000 0.0000 -0.0065 0.1846 -0.0369 0.0029 0.0001 -0.0001 0.0000 0.0000 0.0250 0.0754 0.0109 -0.0006 -0.0005 0.0000 0.0080 -0.2546 0.0434 0.0035 0.0003 0.0000 0.0022 0.2622 -0.0037 -0.0052 -0.0005 -0.1851 -0.0488 -0.0022 -0.0003 0.5303 0.0646 -0.0025 0.0009 0.2804 0.0840 0.0014 0.0001 0.5853 0.1338 -0.0017 -0.0011 -0.1597 -0.0772 0.0026 0.0005 -0.0042 -0.0267 -0.0738 -0.0284 -0.0162 -0.0025 -0.0424 0.0092 0.0570 0.0373 0.0470 0.0530 0.0282 0.0049 0.0139 -0.0121 -0.0136 -0.0118 -0.0198 -0.0099 0.0191 0.0344 0.0227 1176. (0.00111) RY ( 2) S 25 s( 6.28%)p 6.16( 38.69%)d 8.43( 52.89%) f 0.29( 1.82%)g 0.05( 0.33%) 0.0000 0.0000 -0.0019 0.2489 -0.0280 0.0020 -0.0018 -0.0002 0.0001 0.0000 -0.0224 0.4122 -0.0016 -0.0302 0.0003 0.0000 0.0023 -0.3181 0.0725 -0.0033 0.0008 0.0000 0.0094 -0.3296 -0.0055 0.0193 0.0008 -0.3027 -0.2138 0.0103 -0.0001 -0.3570 -0.2674 0.0216 -0.0015 0.0256 -0.0818 0.0084 -0.0016 0.1473 0.2378 -0.0161 -0.0020 0.3250 -0.0047 0.0202 -0.0033 -0.0033 0.0431 0.0507 0.0265 0.0176 0.0269 -0.0063 -0.0682 -0.0052 -0.0250 0.0425 0.0669 0.0089 -0.0183 -0.0098 0.0190 0.0042 -0.0008 0.0223 -0.0229 -0.0288 0.0300 0.0076 1177. (0.00073) RY ( 3) S 25 s( 2.08%)p 3.63( 7.56%)d42.10( 87.70%) f 1.23( 2.56%)g 0.05( 0.10%) 0.0000 0.0000 -0.0133 0.1363 0.0454 0.0016 0.0044 0.0000 0.0001 0.0000 -0.1157 0.2371 0.0373 -0.0210 0.0019 0.0000 -0.0349 0.0203 0.0379 -0.0010 0.0011 0.0000 -0.0012 0.0224 -0.0114 -0.0214 0.0004 0.5682 0.1127 0.0292 -0.0074 -0.4519 0.0589 -0.0056 0.0023 0.0078 0.0205 -0.0007 -0.0018 0.4036 0.0150 0.0413 -0.0085 -0.4056 -0.0515 -0.0179 0.0060 0.0752 0.0115 0.0140 0.0049 -0.0578 -0.0041 -0.0558 -0.0086 -0.0947 -0.0224 -0.0069 -0.0309 0.0497 0.0119 0.0096 0.0007 0.0092 -0.0099 0.0013 0.0038 -0.0032 -0.0172 0.0197 1178. (0.00053) RY ( 4) S 25 s( 28.70%)p 0.47( 13.62%)d 1.95( 55.92%) f 0.06( 1.58%)g 0.01( 0.18%) 0.0000 0.0000 -0.0060 0.5289 -0.0843 -0.0091 -0.0042 -0.0002 0.0001 0.0000 -0.0142 -0.2009 -0.1480 0.0276 0.0002 0.0000 -0.0094 -0.1925 -0.0341 0.0055 0.0017 0.0000 0.0090 -0.1732 -0.0636 0.0241 -0.0011 0.5482 -0.0186 0.0142 -0.0020 0.2872 -0.0663 0.0086 -0.0050 -0.0261 0.0119 0.0176 -0.0056 -0.0825 -0.1160 0.0082 -0.0026 0.3853 -0.0319 0.0122 -0.0048 -0.0452 0.0081 -0.0529 0.0009 0.0112 -0.0020 -0.0401 -0.0016 -0.0493 -0.0203 -0.0667 -0.0359 0.0249 -0.0009 -0.0115 0.0247 0.0025 0.0156 -0.0013 0.0063 -0.0184 -0.0189 0.0078 1179. (0.00030) RY ( 5) S 25 s( 15.39%)p 1.26( 19.36%)d 4.05( 62.37%) f 0.17( 2.68%)g 0.01( 0.19%) 0.0000 0.0000 -0.0038 0.3811 -0.0916 -0.0158 0.0014 0.0002 0.0002 0.0000 -0.0167 -0.3261 -0.0519 0.0475 -0.0047 0.0000 -0.0067 0.2300 0.0825 -0.0110 -0.0028 0.0000 0.0189 0.1066 -0.1013 0.0087 -0.0043 -0.3112 -0.1269 -0.0227 -0.0003 -0.1961 0.1088 -0.0429 0.0079 -0.5708 0.0782 -0.0252 0.0099 0.3050 -0.1770 0.0081 -0.0054 -0.0049 0.0269 -0.0081 0.0124 0.0601 -0.0166 -0.0598 0.0185 0.0901 0.0132 -0.0585 0.0195 0.0475 0.0280 0.0389 -0.0019 0.0449 -0.0191 -0.0204 0.0045 -0.0197 0.0100 -0.0002 0.0048 0.0099 0.0127 -0.0271 1180. (0.00019) RY ( 6) S 25 s( 5.47%)p 2.73( 14.91%)d13.75( 75.20%) f 0.72( 3.91%)g 0.09( 0.51%) 0.0000 0.0000 -0.0036 0.2287 -0.0445 -0.0186 0.0064 -0.0010 -0.0006 0.0000 -0.0046 0.1945 0.0417 -0.0195 0.0027 0.0000 -0.0341 0.0557 -0.1887 0.0384 -0.0004 0.0000 -0.0121 -0.2199 -0.1384 0.0108 -0.0036 -0.0488 0.0693 0.0058 0.0165 0.3329 -0.3297 0.0592 -0.0093 -0.3600 -0.0541 -0.0105 0.0014 -0.2234 0.2160 -0.0284 0.0114 -0.5374 0.0289 -0.0394 0.0067 0.0365 0.0548 0.0517 -0.0034 0.0566 -0.0106 0.0964 -0.0598 -0.0202 -0.0330 -0.0152 0.0175 -0.0978 0.0656 0.0033 0.0355 0.0132 -0.0167 -0.0006 -0.0023 -0.0406 -0.0085 0.0412 1181. (0.00012) RY ( 7) S 25 s( 16.99%)p 1.16( 19.74%)d 3.35( 56.89%) f 0.35( 5.90%)g 0.03( 0.49%) 0.0000 0.0000 0.0080 0.3967 0.1104 -0.0058 0.0159 -0.0007 0.0001 0.0000 -0.0035 -0.3105 -0.0620 0.0677 -0.0040 0.0000 0.0150 0.2078 -0.0258 0.0188 0.0023 0.0000 -0.0283 -0.1875 0.1041 -0.0359 -0.0002 -0.2560 0.4444 0.0293 0.0123 -0.1833 -0.0031 -0.0555 0.0029 0.4676 -0.0539 0.0135 -0.0111 -0.0614 0.1490 0.0204 0.0041 -0.1099 -0.0814 -0.0339 0.0002 0.0496 0.0230 -0.0213 -0.0357 0.0028 -0.0539 -0.0723 -0.0274 0.0253 -0.0075 -0.1346 0.0030 -0.1368 0.0885 0.0088 -0.0159 -0.0057 0.0009 -0.0260 0.0352 0.0268 -0.0424 -0.0090 1182. (0.00010) RY ( 8) S 25 s( 2.18%)p20.77( 45.38%)d22.39( 48.92%) f 1.45( 3.16%)g 0.16( 0.35%) 1183. (0.00005) RY ( 9) S 25 s( 3.49%)p16.89( 58.90%)d 9.97( 34.76%) f 0.78( 2.72%)g 0.04( 0.13%) 1184. (0.00003) RY (10) S 25 s( 7.50%)p 6.36( 47.73%)d 5.13( 38.51%) f 0.75( 5.65%)g 0.08( 0.60%) 1185. (0.00002) RY (11) S 25 s( 1.26%)p48.51( 61.35%)d22.42( 28.36%) f 6.33( 8.00%)g 0.81( 1.02%) 1186. (0.00002) RY (12) S 25 s( 2.04%)p 9.20( 18.78%)d27.01( 55.11%) f11.26( 22.97%)g 0.53( 1.09%) 1187. (0.00001) RY (13) S 25 s( 1.10%)p25.34( 27.91%)d47.50( 52.31%) f15.98( 17.60%)g 0.98( 1.07%) 1188. (0.00001) RY (14) S 25 s( 1.77%)p28.64( 50.59%)d20.79( 36.71%) f 5.25( 9.28%)g 0.94( 1.66%) 1189. (0.00001) RY (15) S 25 s( 4.63%)p 1.26( 5.84%)d 5.14( 23.77%) f13.67( 63.22%)g 0.55( 2.54%) 1190. (0.00001) RY (16) S 25 s( 7.64%)p 2.47( 18.84%)d 1.54( 11.77%) f 7.96( 60.85%)g 0.12( 0.90%) 1191. (0.00000) RY (17) S 25 s( 8.02%)p 3.62( 29.07%)d 3.73( 29.94%) f 3.92( 31.47%)g 0.19( 1.50%) 1192. (0.00000) RY (18) S 25 s( 1.78%)p16.36( 29.09%)d17.66( 31.42%) f20.07( 35.70%)g 1.13( 2.01%) 1193. (0.00000) RY (19) S 25 s( 5.46%)p 1.67( 9.11%)d 5.02( 27.44%) f 6.60( 36.05%)g 4.02( 21.93%) 1194. (0.00000) RY (20) S 25 s( 4.48%)p 2.89( 12.93%)d 5.64( 25.28%) f 3.15( 14.10%)g 9.64( 43.21%) 1195. (0.00000) RY (21) S 25 s( 0.34%)p20.17( 6.90%)d52.51( 17.96%) f99.99( 41.19%)g98.21( 33.60%) 1196. (0.00000) RY (22) S 25 s( 7.31%)p 1.58( 11.57%)d 3.49( 25.51%) f 3.70( 27.07%)g 3.90( 28.54%) 1197. (0.00000) RY (23) S 25 s( 9.47%)p 0.82( 7.76%)d 2.80( 26.53%) f 2.52( 23.90%)g 3.41( 32.33%) 1198. (0.00000) RY (24) S 25 s( 1.59%)p 4.26( 6.75%)d 8.25( 13.08%) f19.13( 30.33%)g30.42( 48.25%) 1199. (0.00000) RY (25) S 25 s( 5.88%)p 0.72( 4.26%)d 3.49( 20.53%) f 8.11( 47.67%)g 3.68( 21.66%) 1200. (0.00000) RY (26) S 25 s( 1.80%)p 2.28( 4.09%)d13.86( 24.92%) f20.36( 36.62%)g18.11( 32.57%) 1201. (0.00000) RY (27) S 25 s( 9.14%)p 1.31( 11.99%)d 4.01( 36.61%) f 1.19( 10.83%)g 3.44( 31.43%) 1202. (0.00000) RY (28) S 25 s( 3.60%)p 2.46( 8.84%)d 7.02( 25.25%) f 8.63( 31.05%)g 8.69( 31.26%) 1203. (0.00000) RY (29) S 25 s( 0.63%)p17.15( 10.79%)d33.65( 21.16%) f34.65( 21.78%)g72.59( 45.64%) 1204. (0.00000) RY (30) S 25 s( 9.72%)p 1.59( 15.44%)d 0.99( 9.63%) f 0.99( 9.60%)g 5.72( 55.61%) 1205. (0.00000) RY (31) S 25 s( 8.32%)p 1.37( 11.39%)d 4.17( 34.66%) f 2.68( 22.30%)g 2.81( 23.34%) 1206. (0.00000) RY (32) S 25 s( 0.47%)p28.66( 13.48%)d13.66( 6.43%) f99.99( 47.23%)g68.83( 32.38%) 1207. (0.00000) RY (33) S 25 s( 14.01%)p 0.73( 10.25%)d 2.05( 28.72%) f 2.62( 36.73%)g 0.73( 10.29%) 1208. (0.00000) RY (34) S 25 s( 3.08%)p 5.35( 16.47%)d 7.87( 24.22%) f15.04( 46.28%)g 3.23( 9.96%) 1209. (0.00000) RY (35) S 25 s( 1.15%)p21.72( 24.88%)d20.72( 23.74%) f36.93( 42.31%)g 6.91( 7.92%) 1210. (0.00000) RY (36) S 25 s( 0.45%)p21.54( 9.60%)d59.51( 26.52%) f99.99( 51.64%)g26.48( 11.80%) 1211. (0.00000) RY (37) S 25 s( 5.15%)p 5.41( 27.87%)d 4.47( 23.04%) f 5.06( 26.10%)g 3.46( 17.84%) 1212. (0.00000) RY (38) S 25 s( 0.66%)p33.29( 21.87%)d42.07( 27.64%) f68.84( 45.23%)g 7.00( 4.60%) 1213. (0.00000) RY (39) S 25 s( 14.33%)p 1.60( 22.98%)d 2.40( 34.31%) f 1.47( 21.02%)g 0.51( 7.36%) 1214. (0.00000) RY (40) S 25 s( 6.30%)p 2.71( 17.09%)d 4.73( 29.81%) f 5.42( 34.15%)g 2.01( 12.65%) 1215. (0.00000) RY (41) S 25 s( 3.02%)p 4.29( 12.94%)d15.91( 48.03%) f 9.48( 28.63%)g 2.45( 7.38%) 1216. (0.00000) RY (42) S 25 s( 2.36%)p 9.41( 22.24%)d13.15( 31.08%) f15.16( 35.84%)g 3.58( 8.47%) 1217. (0.00000) RY (43) S 25 s( 3.57%)p 2.05( 7.32%)d16.43( 58.69%) f 7.98( 28.48%)g 0.54( 1.94%) 1218. (0.00000) RY (44) S 25 s( 5.74%)p 1.50( 8.60%)d 6.51( 37.35%) f 7.79( 44.72%)g 0.63( 3.60%) 1219. (0.00000) RY (45) S 25 s( 14.31%)p 0.26( 3.78%)d 3.24( 46.33%) f 2.34( 33.46%)g 0.15( 2.13%) 1220. (0.00000) RY (46) S 25 s( 13.54%)p 0.79( 10.67%)d 3.83( 51.81%) f 1.68( 22.79%)g 0.09( 1.20%) 1221. (0.00000) RY (47) S 25 s( 10.47%)p 2.97( 31.06%)d 2.46( 25.80%) f 2.91( 30.48%)g 0.21( 2.18%) 1222. (0.00000) RY (48) S 25 s( 22.56%)p 0.48( 10.94%)d 0.46( 10.41%) f 2.43( 54.73%)g 0.06( 1.37%) 1223. (0.00000) RY (49) S 25 s( 97.98%)p 0.01( 1.08%)d 0.00( 0.42%) f 0.00( 0.34%)g 0.00( 0.18%) 1224. (0.00000) RY (50) S 25 s( 78.53%)p 0.24( 19.10%)d 0.01( 0.70%) f 0.01( 0.65%)g 0.01( 1.01%) 1225. (0.00000) RY (51) S 25 s( 14.92%)p 5.39( 80.35%)d 0.20( 3.05%) f 0.03( 0.42%)g 0.08( 1.25%) 1226. (0.00000) RY (52) S 25 s( 7.30%)p 9.48( 69.22%)d 2.66( 19.41%) f 0.36( 2.66%)g 0.19( 1.40%) 1227. (0.00000) RY (53) S 25 s( 5.73%)p 1.88( 10.78%)d 9.97( 57.16%) f 1.57( 8.98%)g 3.03( 17.34%) 1228. (0.00000) RY (54) S 25 s( 14.98%)p 0.27( 4.00%)d 0.99( 14.77%) f 0.52( 7.86%)g 3.90( 58.39%) 1229. (0.00000) RY (55) S 25 s( 5.60%)p 4.93( 27.62%)d 5.17( 28.95%) f 2.23( 12.49%)g 4.53( 25.34%) 1230. (0.00000) RY (56) S 25 s( 4.19%)p 5.90( 24.74%)d 8.09( 33.95%) f 2.26( 9.48%)g 6.59( 27.63%) 1231. (0.00000) RY (57) S 25 s( 26.81%)p 0.87( 23.35%)d 0.91( 24.33%) f 0.30( 7.91%)g 0.66( 17.60%) 1232. (0.00000) RY (58) S 25 s( 1.60%)p 2.46( 3.93%)d16.01( 25.56%) f18.79( 30.00%)g24.36( 38.91%) 1233. (0.00000) RY (59) S 25 s( 25.52%)p 0.39( 10.02%)d 1.13( 28.87%) f 0.29( 7.32%)g 1.11( 28.28%) 1234. (0.00000) RY (60) S 25 s( 2.53%)p 4.09( 10.37%)d 8.48( 21.50%) f 6.90( 17.49%)g18.99( 48.11%) 1235. (0.00000) RY (61) S 25 s( 5.37%)p 0.42( 2.24%)d 6.40( 34.42%) f 5.74( 30.86%)g 5.04( 27.11%) 1236. (0.02873) RY ( 1)Sc 26 s( 0.00%)p 1.00( 1.08%)d89.42( 96.52%) f 1.18( 1.28%)g 1.04( 1.12%) 0.0000 0.0000 0.0000 0.0037 0.0043 -0.0016 0.0012 -0.0004 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0031 0.0014 -0.0009 0.0021 0.0000 0.0000 0.0094 -0.0085 -0.0091 0.0015 0.0000 0.0000 0.0571 -0.0549 -0.0644 0.0101 0.0001 -0.1351 0.0071 -0.0004 0.0000 0.0225 -0.9160 0.0301 0.0006 0.0029 -0.1220 0.2762 -0.0207 -0.0054 0.0022 0.0137 -0.0565 0.0024 0.0007 0.0000 0.0356 -0.1003 0.0053 0.0021 -0.0007 -0.0602 0.0187 -0.0067 0.0013 -0.0090 0.0005 -0.0449 0.0052 -0.0030 -0.0700 -0.0135 0.0001 -0.0170 0.0311 -0.0019 0.0080 -0.0054 0.0007 -0.0136 -0.0021 -0.0002 -0.0381 0.0027 -0.0169 0.0083 0.0663 -0.0043 -0.0214 -0.0005 -0.0335 0.0032 -0.0513 0.0034 -0.0230 0.0065 0.0057 -0.0014 -0.0114 0.0009 1237. (0.02735) RY ( 2)Sc 26 s( 0.00%)p 1.00( 3.18%)d27.92( 88.82%) f 1.02( 3.23%)g 1.50( 4.77%) 0.0000 0.0000 0.0000 0.0010 0.0010 -0.0007 0.0025 -0.0010 -0.0005 0.0000 0.0000 0.0000 0.0000 -0.0038 0.0021 -0.0003 0.0033 0.0000 0.0000 0.0234 -0.0005 -0.0114 0.0073 0.0000 0.0000 0.1511 -0.0045 -0.0786 0.0448 -0.0135 0.0189 0.0154 0.0008 -0.0010 -0.1200 -0.2031 0.0324 0.0122 -0.0002 -0.2073 -0.8399 -0.0973 0.0141 0.0069 0.0382 0.1454 0.0143 -0.0021 -0.0004 0.0538 0.2143 0.0274 -0.0031 -0.0022 -0.1151 0.0456 -0.0165 0.0214 -0.0126 0.0007 -0.0473 0.0262 -0.0051 -0.0333 0.0164 0.0071 -0.0942 0.0463 -0.0023 0.0230 -0.0096 0.0001 -0.0056 0.0030 0.0009 -0.0577 0.0093 -0.1360 0.0196 0.1000 -0.0153 -0.0175 0.0043 -0.0820 0.0106 -0.0630 0.0170 -0.0584 0.0061 0.0106 -0.0020 -0.0116 0.0047 1238. (0.02126) RY ( 3)Sc 26 s( 1.10%)p 0.29( 0.32%)d88.57( 97.36%) f 0.59( 0.65%)g 0.51( 0.57%) 0.0000 0.0000 0.0000 -0.0482 0.0923 0.0108 0.0050 0.0036 -0.0004 0.0000 0.0000 0.0000 0.0000 -0.0374 0.0052 0.0172 0.0009 0.0000 0.0000 0.0323 -0.0186 -0.0074 0.0046 0.0000 0.0000 0.0060 0.0009 -0.0036 0.0016 -0.0377 -0.8943 -0.0075 0.0011 -0.0024 -0.0003 0.1143 0.0038 -0.0007 0.0003 -0.0179 0.0792 -0.0160 0.0005 0.0014 -0.0183 0.1117 -0.0093 0.0011 0.0004 -0.0105 0.3726 -0.0265 -0.0001 0.0031 0.0089 0.0074 -0.0015 0.0174 0.0139 0.0005 -0.0467 -0.0074 0.0000 0.0001 0.0004 -0.0003 -0.0036 0.0088 0.0010 -0.0226 0.0086 0.0071 0.0527 0.0102 0.0040 -0.0531 -0.0041 0.0043 0.0023 -0.0220 -0.0020 -0.0020 0.0033 -0.0334 -0.0042 -0.0011 0.0023 0.0010 0.0028 0.0224 0.0078 0.0240 0.0019 1239. (0.01676) RY ( 4)Sc 26 s( 0.41%)p 0.47( 0.19%)d99.99( 98.49%) f 1.57( 0.64%)g 0.68( 0.28%) 0.0000 0.0000 0.0000 -0.0065 0.0615 0.0137 0.0061 0.0011 -0.0008 0.0000 0.0000 0.0000 0.0000 -0.0312 0.0011 0.0114 -0.0008 0.0000 0.0000 -0.0109 0.0042 -0.0128 -0.0218 0.0000 0.0000 0.0008 -0.0002 0.0015 0.0035 0.0027 0.1989 0.0003 0.0072 -0.0007 -0.0003 -0.0381 -0.0003 -0.0002 -0.0002 0.0072 0.2126 -0.0044 -0.0021 0.0011 0.0353 0.9370 0.0034 -0.0013 0.0013 0.0103 0.1377 -0.0148 -0.0038 0.0030 -0.0060 0.0004 -0.0003 0.0530 0.0130 0.0004 0.0151 -0.0017 0.0009 -0.0137 0.0002 0.0001 0.0078 -0.0013 -0.0013 -0.0326 -0.0200 -0.0081 0.0361 -0.0059 -0.0040 -0.0168 -0.0004 -0.0082 -0.0006 -0.0008 0.0014 0.0205 0.0050 0.0090 0.0035 -0.0083 -0.0010 -0.0024 0.0004 -0.0353 -0.0077 0.0218 0.0030 1240. (0.00542) RY ( 5)Sc 26 s( 0.93%)p 7.80( 7.26%)d97.11( 90.39%) f 0.92( 0.85%)g 0.61( 0.57%) 0.0000 0.0000 0.0000 0.0914 -0.0264 0.0127 0.0092 0.0043 -0.0002 0.0001 0.0000 0.0000 0.0000 -0.2127 -0.1273 -0.0336 0.0337 0.0000 0.0000 0.0661 0.0577 0.0147 -0.0049 0.0000 0.0000 -0.0275 -0.0100 0.0057 -0.0042 -0.0108 -0.3237 -0.0212 0.0123 -0.0044 0.0052 0.0568 0.0043 -0.0032 0.0006 -0.0179 -0.2067 0.0186 -0.0107 -0.0010 0.0203 0.2367 0.0201 -0.0111 0.0039 -0.0935 -0.8274 0.0102 -0.0338 -0.0048 0.0275 -0.0064 0.0025 -0.0315 -0.0081 -0.0017 -0.0320 0.0019 -0.0013 0.0039 -0.0039 0.0027 -0.0082 -0.0055 0.0024 -0.0530 -0.0040 0.0121 0.0460 0.0154 -0.0135 0.0544 0.0076 0.0281 -0.0060 0.0196 0.0024 -0.0167 -0.0085 -0.0064 0.0091 0.0083 -0.0024 -0.0078 -0.0034 -0.0205 -0.0018 -0.0191 -0.0057 1241. (0.00482) RY ( 6)Sc 26 s( 0.01%)p99.99( 29.73%)d99.99( 23.46%) f99.99( 17.17%)g99.99( 29.63%) 0.0000 0.0000 0.0000 -0.0032 0.0086 -0.0012 -0.0054 0.0011 0.0013 0.0000 0.0000 0.0000 0.0000 0.0108 0.0026 0.0020 -0.0063 0.0000 0.0000 -0.0794 -0.0045 0.0262 -0.0211 0.0000 0.0000 -0.4885 -0.0254 0.1867 -0.1248 0.0069 -0.0250 -0.0211 -0.0038 0.0019 0.0558 -0.2474 -0.0105 -0.0371 0.0035 0.1114 -0.3051 0.1986 -0.0259 -0.0129 -0.0198 0.0498 -0.0309 0.0032 0.0009 -0.0261 0.1197 -0.0544 0.0080 0.0041 0.2294 -0.1049 0.0419 -0.0796 0.0133 -0.0021 0.0918 -0.0482 0.0165 0.0408 0.0024 -0.0074 0.2841 -0.0488 0.0086 -0.0610 0.0097 -0.0021 -0.0022 -0.0014 -0.0006 0.1132 -0.0224 0.4121 -0.0377 -0.1855 0.0395 0.0314 -0.0120 0.1990 -0.0194 0.1158 -0.0263 0.1378 -0.0092 -0.0291 0.0030 0.0235 -0.0086 1242. (0.00349) RY ( 7)Sc 26 s( 43.56%)p 0.80( 34.66%)d 0.11( 4.94%) f 0.25( 10.84%)g 0.14( 6.00%) 0.0000 0.0000 0.0000 0.0226 0.6540 0.0843 -0.0135 0.0010 0.0006 0.0000 0.0000 0.0000 0.0000 -0.5111 0.2648 0.0366 0.0460 0.0000 0.0000 0.0866 -0.0421 -0.0333 0.0337 0.0000 0.0000 -0.0091 0.0035 0.0067 -0.0120 0.0199 0.1285 -0.0861 -0.0163 -0.0007 -0.0032 -0.0105 0.0115 0.0045 0.0000 -0.0186 0.0054 -0.0126 0.0146 -0.0052 -0.0208 -0.0762 0.0661 -0.0312 -0.0141 -0.0514 0.0422 -0.0539 0.0679 -0.0072 0.0960 0.0026 0.0014 -0.1331 -0.0250 0.0049 -0.2544 -0.0082 -0.0060 0.0672 -0.0010 0.0014 -0.0421 -0.0036 0.0023 -0.0508 0.0255 -0.0020 0.0783 0.0169 0.0047 0.0192 -0.0149 0.0477 -0.0016 -0.0641 -0.0078 -0.1480 0.0018 -0.1479 0.0015 0.0558 -0.0009 -0.0369 0.0020 0.0337 0.0158 -0.0574 -0.0077 1243. (0.00201) RY ( 8)Sc 26 s( 0.01%)p99.99( 38.14%)d99.99( 6.11%) f99.99( 45.04%)g99.99( 10.69%) 0.0000 0.0000 0.0000 -0.0007 0.0115 -0.0025 0.0020 0.0002 -0.0008 0.0000 0.0000 0.0000 0.0000 0.0019 0.0072 0.0012 -0.0007 0.0000 0.0000 -0.0702 -0.0524 -0.0177 0.0040 0.0000 0.0000 -0.5028 -0.3212 -0.1183 0.0586 -0.0009 0.0188 0.0393 -0.0134 0.0009 0.0007 0.1192 0.1627 -0.0461 0.0110 -0.0178 0.0316 -0.1140 0.0199 0.0039 0.0017 -0.0064 0.0192 -0.0066 -0.0010 0.0033 -0.0106 0.0288 -0.0018 -0.0008 -0.2838 0.0916 0.0241 0.0293 -0.0235 0.0071 -0.2502 0.0330 0.0137 -0.5165 -0.0186 0.0124 -0.1010 0.0770 -0.0253 0.0389 -0.0177 0.0021 -0.0986 -0.0037 0.0003 -0.0623 0.0098 0.1711 0.0195 0.1013 -0.0157 -0.0059 0.0038 -0.0304 0.0096 -0.2275 0.0200 -0.0840 0.0028 0.0157 -0.0006 -0.0468 0.0059 1244. (0.00116) RY ( 9)Sc 26 s( 10.62%)p 1.63( 17.37%)d 0.74( 7.84%) f 4.95( 52.63%)g 1.09( 11.54%) 0.0000 0.0000 0.0000 -0.0088 0.2815 -0.1637 -0.0105 -0.0047 0.0022 -0.0001 0.0000 0.0000 0.0000 0.1526 0.0879 0.0010 -0.0291 0.0000 0.0000 -0.0254 -0.0877 0.0159 -0.0394 0.0000 0.0000 -0.2084 -0.2969 -0.0060 0.0064 0.0071 -0.0279 0.0151 0.0007 0.0069 -0.0104 -0.0084 -0.2082 -0.0164 0.0175 0.0019 -0.0188 0.1335 0.0061 -0.0133 -0.0084 0.0034 -0.0461 0.0083 -0.0026 0.0023 -0.0923 0.0622 -0.0073 0.0076 -0.4626 -0.0073 0.0218 0.2279 0.0358 0.0060 0.0312 -0.0094 0.0149 0.4800 0.0168 0.0351 0.0421 -0.0443 -0.0002 0.1452 -0.0002 -0.0089 -0.0023 -0.0202 -0.0007 -0.0761 -0.0247 -0.1123 -0.0014 0.0617 0.0031 0.2033 -0.0089 0.0376 -0.0037 0.1749 -0.0109 -0.1099 -0.0032 0.0591 -0.0092 0.0577 0.0040 1245. (0.00113) RY (10)Sc 26 s( 26.71%)p 0.56( 14.91%)d 0.30( 7.97%) f 1.52( 40.54%)g 0.37( 9.89%) 0.0000 0.0000 0.0000 -0.0155 0.4518 -0.2500 -0.0122 -0.0089 0.0018 -0.0001 0.0000 0.0000 0.0000 0.2331 0.1484 0.0055 -0.0461 0.0000 0.0000 0.0181 -0.0537 0.0349 -0.0496 0.0000 0.0000 0.1314 0.2153 -0.0003 -0.0047 0.0158 -0.0392 0.1229 0.0149 0.0025 0.0027 0.0161 0.0977 0.0109 -0.0120 -0.0009 -0.0405 -0.0412 -0.0035 0.0096 -0.0105 0.0060 -0.0288 0.0256 -0.0092 0.0021 -0.1385 0.1677 -0.0012 0.0019 0.2294 0.0021 -0.0107 0.3164 0.0347 0.0094 0.1817 -0.0102 -0.0128 -0.3104 0.0080 -0.0189 0.1662 0.0388 -0.0015 0.2132 -0.0172 -0.0085 -0.2119 -0.0323 -0.0156 -0.0665 -0.0222 0.0586 0.0033 0.0207 -0.0273 0.2064 0.0037 -0.0419 0.0006 -0.1036 -0.0015 0.1832 -0.0019 0.0013 -0.0174 0.0141 0.0116 1246. (0.00067) RY (11)Sc 26 s( 1.38%)p19.41( 26.70%)d 9.10( 12.51%) f25.17( 34.61%)g18.03( 24.80%) 0.0000 0.0000 0.0000 0.0158 0.1044 0.0284 0.0404 0.0107 -0.0072 -0.0001 0.0000 0.0000 0.0000 -0.2218 -0.2461 0.2399 0.0997 0.0000 0.0000 0.1322 -0.2302 0.1334 0.0193 0.0000 0.0000 -0.0162 0.0239 -0.0137 -0.0104 -0.0057 0.0046 -0.0367 0.0960 0.0140 0.0007 -0.0037 -0.0007 -0.0250 -0.0030 -0.0062 0.0070 -0.0842 0.0017 -0.0052 0.0157 -0.0561 0.0597 -0.0188 0.0006 -0.0307 0.0531 -0.3068 0.0282 -0.0215 -0.1785 -0.0115 -0.0121 0.0952 0.0097 0.0076 0.4144 0.0288 0.0288 -0.0430 -0.0178 -0.0037 -0.0150 0.0013 0.0099 -0.1977 -0.0129 0.0394 -0.2964 0.0123 -0.0100 0.0281 0.0055 -0.0192 -0.0197 0.0215 -0.0022 0.0817 -0.0071 0.0674 0.0393 -0.0255 -0.0127 -0.0764 0.0021 -0.4659 0.0338 -0.0905 -0.0052 1247. (0.00045) RY (12)Sc 26 s( 1.67%)p24.16( 40.43%)d10.01( 16.75%) f 9.73( 16.28%)g14.85( 24.86%) 0.0000 0.0000 0.0000 -0.0001 -0.0400 0.1191 -0.0268 -0.0129 0.0082 0.0000 -0.0001 0.0000 0.0000 0.0227 0.0164 -0.1212 -0.0364 0.0000 0.0000 -0.2771 -0.4640 0.2429 0.1735 0.0000 0.0000 0.0243 0.0576 -0.0415 -0.0266 0.0122 -0.0101 0.1303 0.0032 0.0146 -0.0024 0.0002 -0.0263 -0.0061 -0.0004 0.0060 -0.0071 0.1003 0.0247 0.0031 -0.0046 -0.0007 0.0301 0.1480 0.0165 0.0233 -0.0209 0.3383 -0.0041 0.0054 -0.0211 -0.0003 -0.0113 0.2300 -0.0428 0.0394 0.0597 0.0135 0.0291 -0.0514 -0.0019 -0.0184 0.0223 -0.0068 0.0136 -0.0676 0.0364 0.0062 0.2965 -0.0165 0.0595 0.0774 -0.0161 0.0925 0.0011 -0.0767 0.0147 -0.2845 0.0442 -0.2408 -0.0031 0.1084 0.0028 -0.1369 0.0224 -0.2230 0.0476 -0.0612 0.0000 1248. (0.00034) RY (13)Sc 26 s( 1.38%)p11.30( 15.56%)d 2.98( 4.10%) f33.16( 45.65%)g24.20( 33.31%) 0.0000 0.0000 0.0000 0.0107 -0.0630 0.0658 0.0672 -0.0278 -0.0075 0.0000 0.0000 0.0000 0.0000 -0.1827 0.1644 -0.0405 0.0925 0.0000 0.0000 0.1636 0.1627 0.0521 -0.1641 0.0000 0.0000 0.0002 -0.0340 0.0020 0.0309 -0.0012 0.0141 0.1353 0.0494 -0.0083 -0.0002 -0.0069 -0.0259 -0.0018 -0.0014 0.0035 0.0039 -0.0103 -0.0190 -0.0033 -0.0099 -0.0684 0.0815 -0.0249 -0.0073 0.0168 0.0668 -0.0279 -0.0338 -0.0074 -0.0214 -0.0163 0.0157 0.4064 -0.1179 0.0398 -0.0228 0.0413 -0.0449 -0.1147 -0.0069 0.0105 0.1194 -0.0345 -0.0009 -0.1341 -0.0049 -0.0569 0.4620 -0.0759 0.0371 0.3379 0.0086 -0.1012 0.0065 0.2357 0.0216 0.2036 0.0178 0.2769 -0.0179 -0.0606 -0.0042 0.0921 -0.0169 -0.0407 -0.0592 -0.1268 0.0099 1249. (0.00026) RY (14)Sc 26 s( 6.51%)p 4.85( 31.58%)d 0.66( 4.32%) f 4.03( 26.25%)g 4.81( 31.34%) 0.0000 0.0000 0.0000 -0.0071 -0.1176 0.2220 -0.0201 -0.0390 0.0014 0.0002 0.0000 0.0000 0.0000 -0.1125 0.4613 -0.1823 0.1597 0.0000 0.0000 0.1009 -0.0842 0.0625 0.0113 0.0000 0.0000 -0.0473 0.0396 -0.0454 -0.0666 0.0015 -0.0139 -0.0123 -0.0605 -0.0066 -0.0018 -0.0004 0.0167 0.0033 0.0044 -0.0042 -0.0166 -0.0282 0.0060 0.0003 -0.0044 0.0104 -0.1301 -0.0425 -0.0026 -0.0160 -0.0678 -0.0524 0.1058 -0.0018 -0.1282 -0.0119 -0.0023 0.0026 0.0788 -0.0342 0.4411 -0.0443 0.0296 -0.1432 0.0441 -0.0195 -0.0814 0.0390 -0.0193 -0.0557 0.0416 -0.0129 0.0655 -0.0149 0.0185 -0.4113 0.0357 -0.0429 0.0011 -0.1664 -0.0010 -0.0363 -0.0029 0.1921 -0.0074 0.0469 -0.0039 -0.0156 0.0217 0.2677 0.0152 -0.0014 0.0170 1250. (0.00025) RY (15)Sc 26 s( 0.50%)p18.46( 9.26%)d 3.00( 1.51%) f99.99( 53.94%)g69.33( 34.79%) 0.0000 0.0000 0.0000 0.0001 -0.0189 0.0668 -0.0139 -0.0014 0.0030 0.0001 0.0000 0.0000 0.0000 0.0068 0.0770 -0.0430 0.0035 0.0000 0.0000 0.0279 -0.0527 0.0286 0.0380 0.0000 0.0000 0.0995 -0.1388 0.0498 0.2176 0.0021 0.0000 0.0025 -0.0045 -0.0007 0.0015 0.0261 0.0151 0.0710 -0.0060 -0.0038 -0.0005 0.0171 0.0827 -0.0032 0.0004 0.0026 -0.0056 0.0027 -0.0005 0.0003 -0.0155 0.0382 -0.0109 0.0005 -0.0614 0.0675 0.0173 -0.2007 0.0676 -0.0417 0.0239 -0.0097 0.0235 0.0742 -0.0855 0.0319 0.6690 -0.0484 0.0188 -0.1354 0.0003 -0.0061 0.0074 -0.0200 0.0098 -0.0228 -0.0269 -0.1180 0.0118 -0.1525 0.0611 0.0949 -0.0258 -0.1312 0.0252 -0.4857 0.0076 -0.1674 -0.0325 0.0244 0.0058 -0.1112 -0.0067 1251. (0.00021) RY (16)Sc 26 s( 1.58%)p19.26( 30.40%)d 1.85( 2.92%) f13.71( 21.63%)g27.54( 43.47%) 0.0000 0.0000 0.0000 -0.0006 -0.0103 0.1233 -0.0064 -0.0205 0.0025 -0.0001 0.0000 0.0000 0.0000 0.0557 0.1759 -0.0482 0.0306 0.0000 0.0000 -0.0425 -0.0825 0.0963 -0.0297 0.0000 0.0000 0.3139 -0.1956 0.3296 0.0505 -0.0046 -0.0248 0.0633 0.0431 -0.0025 0.0083 0.0145 0.0425 -0.0353 0.0147 -0.0061 -0.0177 0.0521 0.0058 -0.0124 -0.0012 0.0128 0.0518 0.0917 0.0011 -0.0013 -0.0388 0.0214 0.0514 0.0006 -0.1453 -0.0454 0.0265 -0.1878 0.0581 -0.0312 -0.3176 -0.0140 0.0029 -0.1094 0.0011 0.0089 -0.0042 0.0249 -0.0363 0.1896 -0.0067 -0.0323 -0.0268 -0.0053 -0.0006 -0.1609 0.0154 0.0133 -0.0324 -0.1169 -0.0012 0.0747 -0.0101 0.3537 -0.0225 0.1088 0.0112 0.2137 -0.0609 -0.4473 -0.0280 0.0124 0.0012 1252. (0.00021) RY (17)Sc 26 s( 1.57%)p20.61( 32.34%)d 2.19( 3.44%) f17.36( 27.24%)g22.56( 35.41%) 0.0000 0.0000 0.0000 -0.0016 -0.0079 0.1234 0.0095 -0.0176 0.0003 0.0000 0.0000 0.0000 0.0000 0.0543 0.1496 -0.0322 0.0332 0.0000 0.0000 -0.0962 0.0200 -0.0169 -0.0655 0.0000 0.0000 -0.2878 0.2858 -0.3418 -0.0198 -0.0080 -0.0246 0.0519 0.0449 -0.0092 -0.0047 -0.0173 -0.0926 -0.0130 -0.0212 0.0054 0.0001 -0.0485 0.0650 0.0125 -0.0044 0.0009 0.0736 0.0674 -0.0029 -0.0028 -0.0280 0.0379 0.0207 -0.0056 0.2243 0.0824 -0.0613 -0.1040 0.0587 -0.0471 -0.0567 0.0367 -0.0386 0.2898 -0.0256 -0.0058 -0.2108 0.0229 0.0057 0.2200 -0.0138 -0.0373 0.0960 -0.0114 -0.0061 -0.1255 0.0182 -0.0462 0.0365 -0.0235 -0.0077 0.1721 -0.0345 0.1327 0.0081 -0.3625 0.0019 -0.1020 0.0165 -0.3660 -0.0535 -0.0806 -0.0079 1253. (0.00018) RY (18)Sc 26 s( 3.61%)p 6.16( 22.21%)d 4.09( 14.74%) f 9.38( 33.83%)g 7.11( 25.61%) 0.0000 0.0000 0.0000 0.0095 0.1269 0.1392 0.0090 -0.0106 0.0173 -0.0004 0.0000 0.0000 0.0000 0.2979 0.0530 -0.0123 0.1196 0.0000 0.0000 0.0714 0.1351 0.1089 0.2291 0.0000 0.0000 -0.0445 -0.0141 -0.1118 -0.1171 0.0072 -0.0113 -0.1983 -0.0899 -0.0389 -0.0064 0.0091 0.1084 0.0866 0.0122 0.0032 -0.0036 0.1315 -0.0193 0.0071 0.0118 0.0033 0.1132 0.0702 0.0100 0.0012 -0.0158 0.2043 0.0248 0.0210 0.1736 -0.0458 0.0094 -0.0202 -0.0251 -0.0008 -0.1592 0.0594 -0.0063 -0.0590 0.0224 0.0041 0.0364 -0.0266 -0.0110 -0.4798 -0.0845 0.0312 -0.1708 0.0040 0.0480 -0.1106 0.0143 -0.1657 0.0096 0.1775 -0.0048 0.1460 -0.0236 0.1637 -0.0416 0.2270 0.0211 -0.2639 -0.0070 -0.0576 -0.0201 -0.0929 -0.0148 1254. (0.00017) RY (19)Sc 26 s( 1.10%)p11.92( 13.06%)d11.35( 12.44%) f23.22( 25.45%)g43.76( 47.95%) 0.0000 0.0000 0.0000 0.0039 0.0691 0.0767 0.0078 -0.0092 0.0118 -0.0001 0.0000 0.0000 0.0000 0.1610 0.0354 -0.0421 0.0506 0.0000 0.0000 0.1081 0.1192 0.0762 0.1848 0.0000 0.0000 -0.0245 0.0311 0.1061 0.1429 0.0081 -0.0075 -0.1963 -0.1051 -0.0228 0.0065 -0.0206 -0.1858 -0.0631 -0.0068 0.0026 -0.0058 -0.0037 0.0630 0.0050 0.0068 0.0100 0.0385 0.0102 0.0118 0.0016 -0.0060 0.1702 -0.0101 0.0119 -0.1914 0.0492 -0.0321 0.1090 -0.0236 -0.0099 0.0204 0.0426 -0.0241 0.1225 -0.0708 -0.0193 -0.2889 -0.0064 0.0296 -0.2856 -0.0503 0.0124 -0.0935 -0.0193 0.0306 0.1311 0.0036 0.0994 0.0088 -0.2180 0.0007 -0.0789 -0.0165 -0.0764 -0.0330 -0.3047 -0.0014 0.5239 -0.0277 0.0226 0.0055 -0.1510 -0.0050 1255. (0.00016) RY (20)Sc 26 s( 15.73%)p 1.31( 20.61%)d 2.11( 33.24%) f 1.43( 22.45%)g 0.51( 7.97%) 0.0000 0.0000 0.0000 -0.0068 0.1814 0.3510 -0.0322 0.0058 0.0109 -0.0005 0.0000 0.0000 0.0000 0.2111 -0.1354 0.1632 0.0125 0.0000 0.0000 -0.2211 0.0773 -0.1019 -0.2185 0.0000 0.0000 0.0381 -0.0232 0.0195 0.0326 -0.0026 -0.0190 -0.2821 -0.0736 -0.0173 0.0004 0.0036 0.0243 0.0229 0.0030 -0.0028 -0.0108 0.0728 0.0364 0.0065 -0.0113 -0.0011 0.4616 0.1331 0.0106 -0.0017 -0.0335 -0.0715 0.0315 0.0221 -0.1030 -0.0029 0.0063 -0.1384 -0.0313 -0.0087 0.2655 -0.0118 -0.0041 -0.1358 -0.0034 0.0077 0.0117 -0.0083 -0.0060 0.2083 0.0427 -0.0261 0.2346 0.0500 -0.0283 0.0201 0.0228 0.0103 -0.0137 0.0375 0.0160 0.0671 0.0282 -0.0902 0.0384 0.0782 -0.0021 0.0398 0.0094 0.1141 -0.0058 -0.1950 -0.0555 1256. (0.00013) RY (21)Sc 26 s( 0.15%)p99.99( 20.94%)d99.99( 32.35%) f99.99( 15.44%)g99.99( 31.12%) 0.0000 0.0000 0.0000 0.0027 0.0200 0.0002 0.0320 0.0042 0.0048 0.0000 0.0000 0.0000 0.0000 0.0055 -0.0355 -0.0184 -0.0121 0.0000 0.0000 0.0368 0.0592 0.0365 -0.0002 0.0000 0.0000 0.2251 -0.1118 0.1046 -0.3568 0.0025 0.0069 0.0706 -0.0154 -0.0068 0.0032 0.0169 0.5076 -0.0790 0.0234 -0.0025 0.0169 -0.1663 0.0104 -0.0017 -0.0006 -0.0016 0.0984 0.0236 0.0068 0.0044 0.0117 0.1218 0.0076 0.0034 -0.0827 -0.1192 0.0498 0.0737 -0.0456 0.0055 0.0648 -0.0360 0.0304 0.2889 -0.0245 0.0283 -0.1484 0.0833 -0.0273 -0.0130 -0.0150 -0.0012 0.0244 0.0368 0.0063 0.0583 0.0052 0.3889 0.0282 -0.0942 -0.0094 0.1070 -0.0252 0.0807 0.0034 -0.2331 0.0227 -0.2348 0.0322 0.1033 -0.0268 -0.0755 0.0053 1257. (0.00011) RY (22)Sc 26 s( 3.23%)p 9.19( 29.64%)d 4.79( 15.46%) f 6.64( 21.43%)g 9.37( 30.24%) 0.0000 0.0000 0.0000 0.0218 0.0203 -0.0095 0.1734 0.0093 0.0338 -0.0002 0.0000 0.0000 0.0000 -0.2031 -0.1475 -0.2847 -0.3434 0.0000 0.0000 0.1088 0.0946 0.0534 -0.0734 0.0000 0.0000 -0.0427 0.0033 -0.0518 0.0301 0.0025 -0.0170 -0.1402 -0.0102 -0.0371 -0.0018 -0.0019 -0.0136 0.0182 -0.0006 0.0043 0.0152 0.1205 0.0431 -0.0010 -0.0062 0.0051 0.1565 0.0568 0.0239 0.0195 0.0706 0.2451 0.1489 -0.0080 -0.0174 -0.0153 0.0047 0.1101 -0.1422 -0.0473 0.0841 0.0284 -0.0104 -0.0177 -0.0212 -0.0102 0.0755 -0.0488 -0.0223 0.2297 -0.0910 -0.0394 -0.2576 0.1765 0.0409 0.0551 0.0206 -0.1714 -0.0211 -0.0779 0.0007 -0.3353 -0.0139 0.3434 0.0606 -0.0514 -0.0365 -0.0943 -0.0127 0.0407 -0.0384 -0.1043 0.0419 1258. (0.00008) RY (23)Sc 26 s( 17.80%)p 1.67( 29.75%)d 0.98( 17.46%) f 0.42( 7.47%)g 1.55( 27.52%) 1259. (0.00007) RY (24)Sc 26 s( 0.10%)p99.99( 22.57%)d99.99( 54.33%) f37.23( 3.62%)g99.99( 19.38%) 1260. (0.00006) RY (25)Sc 26 s( 1.51%)p 3.81( 5.74%)d33.87( 51.05%) f 4.31( 6.50%)g23.36( 35.21%) 1261. (0.00005) RY (26)Sc 26 s( 1.05%)p11.27( 11.84%)d19.95( 20.97%) f25.00( 26.28%)g37.92( 39.86%) 1262. (0.00004) RY (27)Sc 26 s( 21.65%)p 1.59( 34.43%)d 0.54( 11.67%) f 0.98( 21.18%)g 0.51( 11.07%) 1263. (0.00004) RY (28)Sc 26 s( 0.92%)p55.15( 50.95%)d 8.24( 7.61%) f21.01( 19.41%)g22.84( 21.10%) 1264. (0.00003) RY (29)Sc 26 s( 1.08%)p40.19( 43.32%)d24.22( 26.11%) f13.37( 14.41%)g13.99( 15.08%) 1265. (0.00002) RY (30)Sc 26 s( 1.14%)p13.35( 15.19%)d25.94( 29.53%) f11.13( 12.67%)g36.43( 41.47%) 1266. (0.00002) RY (31)Sc 26 s( 3.54%)p 7.55( 26.74%)d 3.90( 13.81%) f 4.20( 14.87%)g11.59( 41.04%) 1267. (0.00001) RY (32)Sc 26 s( 1.44%)p14.68( 21.06%)d12.13( 17.41%) f18.55( 26.62%)g23.32( 33.47%) 1268. (0.00001) RY (33)Sc 26 s( 1.70%)p26.50( 44.93%)d 6.89( 11.69%) f15.12( 25.64%)g 9.46( 16.05%) 1269. (0.00000) RY (34)Sc 26 s( 0.29%)p60.22( 17.33%)d68.09( 19.60%) f99.99( 42.41%)g70.77( 20.37%) 1270. (0.00000) RY (35)Sc 26 s( 1.40%)p15.86( 22.25%)d18.38( 25.78%) f22.59( 31.69%)g13.46( 18.88%) 1271. (0.00001) RY (36)Sc 26 s( 0.20%)p99.99( 34.95%)d65.33( 12.89%) f99.99( 27.29%)g99.99( 24.67%) 1272. (0.00000) RY (37)Sc 26 s( 0.50%)p 6.99( 3.47%)d38.91( 19.34%) f31.67( 15.74%)g99.99( 60.94%) 1273. (0.00000) RY (38)Sc 26 s( 10.35%)p 1.16( 12.01%)d 0.80( 8.27%) f 2.37( 24.52%)g 4.33( 44.85%) 1274. (0.00000) RY (39)Sc 26 s( 9.20%)p 0.76( 7.00%)d 0.66( 6.08%) f 2.72( 25.03%)g 5.73( 52.69%) 1275. (0.00000) RY (40)Sc 26 s( 7.07%)p 4.13( 29.23%)d 1.80( 12.74%) f 5.88( 41.58%)g 1.33( 9.37%) 1276. (0.00000) RY (41)Sc 26 s( 9.59%)p 2.13( 20.45%)d 2.20( 21.06%) f 3.62( 34.68%)g 1.48( 14.22%) 1277. (0.00000) RY (42)Sc 26 s( 8.13%)p 2.58( 20.95%)d 2.55( 20.75%) f 2.85( 23.17%)g 3.32( 26.99%) 1278. (0.00000) RY (43)Sc 26 s( 0.60%)p21.58( 13.01%)d47.14( 28.42%) f40.76( 24.58%)g55.37( 33.39%) 1279. (0.00000) RY (44)Sc 26 s( 4.53%)p 3.38( 15.32%)d 5.29( 23.99%) f 8.00( 36.28%)g 4.38( 19.88%) 1280. (0.00000) RY (45)Sc 26 s( 99.93%)p 0.00( 0.00%)d 0.00( 0.03%) f 0.00( 0.04%)g 0.00( 0.00%) 1281. (0.00000) RY (46)Sc 26 s( 90.71%)p 0.00( 0.37%)d 0.03( 2.79%) f 0.05( 4.94%)g 0.01( 1.19%) 1282. (0.00000) RY (47)Sc 26 s( 34.95%)p 0.07( 2.53%)d 0.67( 23.47%) f 0.84( 29.51%)g 0.27( 9.55%) 1283. (0.00000) RY (48)Sc 26 s( 18.69%)p 0.07( 1.24%)d 2.73( 51.00%) f 1.30( 24.22%)g 0.26( 4.85%) 1284. (0.00000) RY (49)Sc 26 s( 12.53%)p 0.32( 4.01%)d 3.85( 48.18%) f 2.08( 26.09%)g 0.73( 9.20%) 1285. (0.00000) RY (50)Sc 26 s( 31.98%)p 0.22( 6.94%)d 0.60( 19.03%) f 1.06( 33.95%)g 0.25( 8.11%) 1286. (0.00000) RY (51)Sc 26 s( 17.35%)p 1.01( 17.52%)d 0.29( 5.00%) f 2.75( 47.67%)g 0.72( 12.46%) 1287. (0.00000) RY (52)Sc 26 s( 28.51%)p 0.27( 7.68%)d 0.29( 8.16%) f 1.69( 48.12%)g 0.26( 7.53%) 1288. (0.00000) RY (53)Sc 26 s( 14.27%)p 0.70( 9.97%)d 2.01( 28.71%) f 2.68( 38.19%)g 0.62( 8.85%) 1289. (0.00000) RY (54)Sc 26 s( 1.94%)p 7.68( 14.89%)d10.05( 19.50%) f17.51( 33.96%)g15.32( 29.71%) 1290. (0.00000) RY (55)Sc 26 s( 3.61%)p 1.01( 3.63%)d 8.24( 29.75%) f15.14( 54.64%)g 2.32( 8.38%) 1291. (0.00000) RY (56)Sc 26 s( 0.76%)p 3.77( 2.86%)d60.56( 45.92%) f42.90( 32.53%)g23.66( 17.94%) 1292. (0.00000) RY (57)Sc 26 s( 7.09%)p 0.49( 3.49%)d 3.05( 21.66%) f 6.99( 49.55%)g 2.57( 18.21%) 1293. (0.00000) RY (58)Sc 26 s( 1.51%)p 2.61( 3.93%)d25.09( 37.82%) f26.31( 39.65%)g11.34( 17.09%) 1294. (0.00000) RY (59)Sc 26 s( 5.71%)p 0.67( 3.82%)d 8.93( 51.00%) f 3.29( 18.79%)g 3.62( 20.67%) 1295. (0.00000) RY (60)Sc 26 s( 2.90%)p 1.12( 3.23%)d13.70( 39.65%) f 8.45( 24.46%)g10.28( 29.76%) 1296. (0.00000) RY (61)Sc 26 s( 3.62%)p 4.33( 15.69%)d 7.22( 26.15%) f 7.70( 27.86%)g 7.37( 26.68%) 1297. (0.00000) RY (62)Sc 26 s( 1.95%)p 6.75( 13.15%)d 7.75( 15.11%) f25.20( 49.13%)g10.59( 20.66%) 1298. (0.00000) RY (63)Sc 26 s( 10.31%)p 0.41( 4.26%)d 3.29( 33.94%) f 3.87( 39.91%)g 1.12( 11.58%) 1299. (0.00000) RY (64)Sc 26 s( 0.42%)p 2.19( 0.93%)d62.83( 26.58%) f99.99( 44.01%)g66.34( 28.06%) 1300. (0.00000) RY (65)Sc 26 s( 0.70%)p 7.47( 5.24%)d13.60( 9.54%) f53.45( 37.49%)g67.07( 47.04%) 1301. (0.00000) RY (66)Sc 26 s( 1.51%)p 8.87( 13.36%)d18.30( 27.56%) f21.58( 32.50%)g16.65( 25.06%) 1302. (0.00000) RY (67)Sc 26 s( 6.25%)p 2.97( 18.58%)d 4.96( 31.03%) f 4.17( 26.07%)g 2.89( 18.07%) 1303. (0.00000) RY (68)Sc 26 s( 0.15%)p41.69( 6.18%)d99.99( 32.35%) f99.99( 30.73%)g99.99( 30.59%) 1304. (0.00000) RY (69)Sc 26 s( 2.55%)p 2.42( 6.19%)d13.75( 35.10%) f 4.61( 11.76%)g17.39( 44.40%) 1305. (0.00000) RY (70)Sc 26 s( 25.88%)p 0.48( 12.54%)d 0.85( 22.02%) f 0.87( 22.52%)g 0.66( 17.04%) 1306. (0.00000) RY (71)Sc 26 s( 3.73%)p 3.03( 11.33%)d 6.78( 25.33%) f13.37( 49.91%)g 2.60( 9.69%) 1307. (0.00000) RY (72)Sc 26 s( 6.11%)p 0.83( 5.06%)d 2.31( 14.10%) f 3.79( 23.19%)g 8.43( 51.55%) 1308. (0.00000) RY (73)Sc 26 s( 17.18%)p 0.81( 13.88%)d 1.60( 27.55%) f 0.66( 11.40%)g 1.74( 29.98%) 1309. (0.00000) RY (74)Sc 26 s( 13.39%)p 0.99( 13.25%)d 1.49( 19.94%) f 1.31( 17.53%)g 2.68( 35.89%) 1310. (0.00000) RY (75)Sc 26 s( 5.14%)p 1.61( 8.30%)d 5.54( 28.50%) f 5.95( 30.59%)g 5.34( 27.47%) 1311. (0.00000) RY (76)Sc 26 s( 0.04%)p99.99( 8.91%)d99.99( 36.78%) f99.99( 35.27%)g99.99( 19.00%) 1312. (0.00000) RY (77)Sc 26 s( 0.69%)p 9.37( 6.45%)d23.04( 15.86%) f59.29( 40.80%)g52.60( 36.20%) 1313. (0.00000) RY (78)Sc 26 s( 3.56%)p 1.72( 6.11%)d 2.84( 10.12%) f10.80( 38.43%)g11.74( 41.79%) 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 =============================================================================== 45. LP ( 1) C 2 -- -- 79.0 278.2 -- -- -- -- 46. LP ( 1) C 3 -- -- 84.9 277.1 -- -- -- -- 47. LP ( 1) S 21 -- -- 123.1 278.4 -- -- -- -- 48. LP ( 1) S 22 -- -- 124.5 67.8 -- -- -- -- 49. LP ( 2) S 22 -- -- 112.9 302.3 -- -- -- -- 50. LP ( 1) S 23 -- -- 80.2 292.2 -- -- -- -- 51. LP ( 2) S 23 -- -- 96.8 44.7 -- -- -- -- 52. LP ( 1) S 24 -- -- 73.5 71.9 -- -- -- -- 53. LP ( 2) S 24 -- -- 50.2 311.5 -- -- -- -- 54. LP ( 1) S 25 -- -- 37.9 283.4 -- -- -- -- 55. BD ( 1) C 1- C 2 66.2 179.5 74.6 171.4 11.4 121.8 9.5 11.9 56. BD ( 1) C 1- C 5 42.8 12.8 51.2 20.7 10.1 144.8 181.6 10.4 57. BD ( 1) C 1- H 11 164.1 323.6 165.5 330.7 2.3 -- -- -- 58. BD ( 1) C 2- C 3 10.5 57.4 17.8 95.6 11.5 167.1 179.2 11.5 59. BD ( 1) C 2- H 12 119.3 189.2 119.6 186.7 2.2 -- -- -- 60. BD ( 1) C 3- C 4 78.5 5.5 73.3 16.0 11.5 96.1 175.8 11.0 61. BD ( 1) C 3- H 13 48.3 176.4 48.8 173.6 2.2 -- -- -- 62. BD ( 1) C 4- C 5 149.0 348.3 144.1 4.9 10.3 29.1 147.5 10.5 63. BD ( 1) C 4- H 14 25.4 17.8 26.1 23.0 2.4 -- -- -- 64. BD ( 1) C 5- H 15 95.7 1.1 96.2 3.3 2.2 -- -- -- 65. BD ( 1) C 6- C 7 152.9 145.3 155.8 169.2 10.7 32.9 308.4 10.2 66. BD ( 1) C 6- C 10 45.9 127.9 38.5 139.5 10.7 126.2 299.4 10.3 67. BD ( 1) C 6- H 16 80.8 317.1 80.5 314.5 2.6 -- -- -- 68. BD ( 1) C 7- C 8 81.7 132.3 87.4 141.6 10.8 103.9 302.3 11.3 69. BD ( 1) C 7- H 17 151.9 303.9 151.3 299.5 2.2 -- -- -- 70. BD ( 1) C 8- C 9 11.2 102.5 16.7 147.2 11.7 164.4 233.7 11.7 71. BD ( 1) C 8- H 18 135.4 139.0 135.0 142.2 2.3 -- -- -- 72. BD ( 1) C 9- C 10 62.6 316.3 55.2 305.7 11.7 109.5 145.0 11.2 73. BD ( 1) C 9- H 19 63.8 130.0 63.6 132.6 2.4 -- -- -- 74. BD ( 1) C 10- H 20 10.9 352.0 9.7 340.8 2.3 -- -- -- 75. BD ( 1) S 21- S 22 87.6 29.3 90.4 29.1 2.9 -- -- -- 76. BD ( 1) S 21-Sc 26 47.9 143.9 52.4 138.6 6.1 132.6 329.1 3.9 77. BD ( 2) S 21-Sc 26 47.9 143.9 36.9 307.0 83.6 156.2 58.9 54.0 78. BD ( 1) S 22- S 23 29.1 329.8 26.2 326.1 3.4 147.5 149.1 3.4 79. BD ( 1) S 23- S 24 43.6 129.6 46.8 130.9 3.4 138.2 305.6 3.3 80. BD ( 1) S 24- S 25 77.5 208.9 -- -- -- 99.4 29.2 3.1 81. BD ( 1) S 25-Sc 26 141.0 161.5 138.8 155.7 4.3 40.2 345.6 2.9 82. BD ( 2) S 25-Sc 26 141.0 161.5 126.2 298.2 84.9 39.5 71.7 53.3 SECOND ORDER PERTURBATION THEORY ANALYSIS OF FOCK MATRIX IN NBO BASIS Threshold for printing: 0.25 kcal/mol (Intermolecular threshold: 0.03 kcal/mol) E(2) E(NL)-E(L) F(L,NL) Donor (L) NBO Acceptor (NL) NBO kcal/mol a.u. a.u. =============================================================================== within unit 1 45. LP ( 1) C 2 91. BD*( 1) C 1- C 2 1.35 0.63 0.037 45. LP ( 1) C 2 93. BD*( 1) C 1- H 11 0.38 0.54 0.018 45. LP ( 1) C 2 94. BD*( 1) C 2- C 3 1.21 0.62 0.035 45. LP ( 1) C 2 97. BD*( 1) C 3- H 13 0.48 0.53 0.020 45. LP ( 1) C 2 119. 3C*( 1)C1-C4-C5 13.93 0.20 0.066 45. LP ( 1) C 2 123. RY ( 3) C 1 0.26 1.53 0.025 45. LP ( 1) C 2 124. RY ( 4) C 1 1.57 2.53 0.079 45. LP ( 1) C 2 175. RY ( 3) C 2 1.39 1.32 0.054 45. LP ( 1) C 2 180. RY ( 8) C 2 0.32 2.23 0.034 45. LP ( 1) C 2 184. RY (12) C 2 0.61 2.05 0.045 45. LP ( 1) C 2 193. RY (21) C 2 0.27 7.85 0.058 45. LP ( 1) C 2 210. RY (38) C 2 0.30 4.85 0.048 45. LP ( 1) C 2 227. RY ( 3) C 3 1.55 1.32 0.057 45. LP ( 1) C 2 228. RY ( 4) C 3 0.84 2.98 0.063 45. LP ( 1) C 2 259. RY (35) C 3 0.32 5.67 0.054 45. LP ( 1) C 2 670. RY ( 1) H 12 0.75 2.30 0.052 45. LP ( 1) C 2 673. RY ( 4) H 12 0.38 2.80 0.041 46. LP ( 1) C 3 94. BD*( 1) C 2- C 3 1.19 0.62 0.034 46. LP ( 1) C 3 95. BD*( 1) C 2- H 12 0.43 0.53 0.019 46. LP ( 1) C 3 96. BD*( 1) C 3- C 4 1.09 0.63 0.033 46. LP ( 1) C 3 99. BD*( 1) C 4- H 14 0.34 0.55 0.017 46. LP ( 1) C 3 119. 3C*( 1)C1-C4-C5 14.48 0.20 0.067 46. LP ( 1) C 3 175. RY ( 3) C 2 1.53 1.32 0.057 46. LP ( 1) C 3 176. RY ( 4) C 2 0.89 2.96 0.065 46. LP ( 1) C 3 227. RY ( 3) C 3 1.40 1.32 0.054 46. LP ( 1) C 3 232. RY ( 8) C 3 0.36 2.35 0.037 46. LP ( 1) C 3 235. RY (11) C 3 0.42 2.09 0.037 46. LP ( 1) C 3 259. RY (35) C 3 0.27 5.67 0.049 46. LP ( 1) C 3 280. RY ( 4) C 4 1.69 2.46 0.081 46. LP ( 1) C 3 699. RY ( 1) H 13 0.72 2.34 0.052 46. LP ( 1) C 3 702. RY ( 4) H 13 0.40 2.78 0.042 55. BD ( 1) C 1- C 2 97. BD*( 1) C 3- H 13 1.58 0.94 0.049 55. BD ( 1) C 1- C 2 98. BD*( 1) C 4- C 5 0.25 1.05 0.021 55. BD ( 1) C 1- C 2 100. BD*( 1) C 5- H 15 1.48 0.97 0.048 55. BD ( 1) C 1- C 2 119. 3C*( 1)C1-C4-C5 0.52 0.61 0.022 55. BD ( 1) C 1- C 2 225. RY ( 1) C 3 0.42 2.42 0.040 55. BD ( 1) C 1- C 2 226. RY ( 2) C 3 0.87 2.17 0.055 55. BD ( 1) C 1- C 2 329. RY ( 1) C 5 0.30 2.38 0.033 55. BD ( 1) C 1- C 2 330. RY ( 2) C 5 1.04 2.02 0.058 55. BD ( 1) C 1- C 2 642. RY ( 2) H 11 0.34 3.15 0.041 55. BD ( 1) C 1- C 2 671. RY ( 2) H 12 0.26 3.18 0.037 56. BD ( 1) C 1- C 5 94. BD*( 1) C 2- C 3 0.28 1.03 0.021 56. BD ( 1) C 1- C 5 95. BD*( 1) C 2- H 12 1.72 0.94 0.051 56. BD ( 1) C 1- C 5 96. BD*( 1) C 3- C 4 0.26 1.04 0.021 56. BD ( 1) C 1- C 5 99. BD*( 1) C 4- H 14 1.54 0.95 0.048 56. BD ( 1) C 1- C 5 174. RY ( 2) C 2 1.11 2.16 0.062 56. BD ( 1) C 1- C 5 277. RY ( 1) C 4 0.46 2.29 0.041 56. BD ( 1) C 1- C 5 278. RY ( 2) C 4 0.30 2.27 0.033 56. BD ( 1) C 1- C 5 279. RY ( 3) C 4 0.45 1.96 0.038 56. BD ( 1) C 1- C 5 283. RY ( 7) C 4 0.28 3.15 0.037 56. BD ( 1) C 1- C 5 642. RY ( 2) H 11 0.41 3.15 0.045 56. BD ( 1) C 1- C 5 758. RY ( 2) H 15 0.46 3.45 0.050 56. BD ( 1) C 1- C 5 761. RY ( 5) H 15 0.28 5.11 0.048 57. BD ( 1) C 1- H 11 94. BD*( 1) C 2- C 3 0.86 0.95 0.036 57. BD ( 1) C 1- H 11 98. BD*( 1) C 4- C 5 0.86 0.97 0.036 57. BD ( 1) C 1- H 11 125. RY ( 5) C 1 0.33 2.79 0.038 57. BD ( 1) C 1- H 11 133. RY (13) C 1 0.27 4.76 0.045 57. BD ( 1) C 1- H 11 145. RY (25) C 1 0.25 9.75 0.063 57. BD ( 1) C 1- H 11 173. RY ( 1) C 2 0.80 2.36 0.055 57. BD ( 1) C 1- H 11 178. RY ( 6) C 2 0.31 5.27 0.051 57. BD ( 1) C 1- H 11 181. RY ( 9) C 2 0.31 4.12 0.045 57. BD ( 1) C 1- H 11 329. RY ( 1) C 5 0.76 2.30 0.053 57. BD ( 1) C 1- H 11 335. RY ( 7) C 5 0.37 5.03 0.055 57. BD ( 1) C 1- H 11 337. RY ( 9) C 5 0.26 2.87 0.034 58. BD ( 1) C 2- C 3 93. BD*( 1) C 1- H 11 1.55 0.95 0.048 58. BD ( 1) C 2- C 3 99. BD*( 1) C 4- H 14 1.53 0.96 0.048 58. BD ( 1) C 2- C 3 122. RY ( 2) C 1 0.84 2.36 0.056 58. BD ( 1) C 2- C 3 123. RY ( 3) C 1 0.36 1.94 0.034 58. BD ( 1) C 2- C 3 278. RY ( 2) C 4 0.74 2.28 0.052 58. BD ( 1) C 2- C 3 279. RY ( 3) C 4 0.44 1.97 0.037 59. BD ( 1) C 2- H 12 92. BD*( 1) C 1- C 5 0.81 0.98 0.035 59. BD ( 1) C 2- H 12 96. BD*( 1) C 3- C 4 0.83 0.97 0.036 59. BD ( 1) C 2- H 12 121. RY ( 1) C 1 0.71 2.19 0.050 59. BD ( 1) C 2- H 12 126. RY ( 6) C 1 0.37 5.40 0.057 59. BD ( 1) C 2- H 12 225. RY ( 1) C 3 0.66 2.35 0.050 59. BD ( 1) C 2- H 12 230. RY ( 6) C 3 0.39 5.17 0.057 59. BD ( 1) C 2- H 12 234. RY (10) C 3 0.27 3.09 0.036 60. BD ( 1) C 3- C 4 92. BD*( 1) C 1- C 5 0.26 1.05 0.021 60. BD ( 1) C 3- C 4 95. BD*( 1) C 2- H 12 1.60 0.94 0.049 60. BD ( 1) C 3- C 4 100. BD*( 1) C 5- H 15 1.49 0.97 0.048 60. BD ( 1) C 3- C 4 119. 3C*( 1)C1-C4-C5 0.46 0.61 0.021 60. BD ( 1) C 3- C 4 173. RY ( 1) C 2 0.39 2.44 0.039 60. BD ( 1) C 3- C 4 174. RY ( 2) C 2 0.85 2.17 0.054 60. BD ( 1) C 3- C 4 329. RY ( 1) C 5 0.37 2.38 0.037 60. BD ( 1) C 3- C 4 330. RY ( 2) C 5 0.99 2.02 0.056 60. BD ( 1) C 3- C 4 700. RY ( 2) H 13 0.27 3.19 0.037 60. BD ( 1) C 3- C 4 729. RY ( 2) H 14 0.30 3.28 0.040 61. BD ( 1) C 3- H 13 91. BD*( 1) C 1- C 2 0.83 0.97 0.036 61. BD ( 1) C 3- H 13 98. BD*( 1) C 4- C 5 0.80 0.98 0.035 61. BD ( 1) C 3- H 13 173. RY ( 1) C 2 0.64 2.37 0.049 61. BD ( 1) C 3- H 13 178. RY ( 6) C 2 0.37 5.27 0.056 61. BD ( 1) C 3- H 13 182. RY (10) C 2 0.26 3.07 0.036 61. BD ( 1) C 3- H 13 277. RY ( 1) C 4 0.74 2.22 0.051 61. BD ( 1) C 3- H 13 282. RY ( 6) C 4 0.33 5.20 0.052 61. BD ( 1) C 3- H 13 293. RY (17) C 4 0.26 5.19 0.046 62. BD ( 1) C 4- C 5 91. BD*( 1) C 1- C 2 0.25 1.04 0.021 62. BD ( 1) C 4- C 5 93. BD*( 1) C 1- H 11 1.54 0.95 0.048 62. BD ( 1) C 4- C 5 94. BD*( 1) C 2- C 3 0.28 1.03 0.021 62. BD ( 1) C 4- C 5 97. BD*( 1) C 3- H 13 1.71 0.94 0.050 62. BD ( 1) C 4- C 5 121. RY ( 1) C 1 0.45 2.26 0.040 62. BD ( 1) C 4- C 5 122. RY ( 2) C 1 0.28 2.36 0.032 62. BD ( 1) C 4- C 5 123. RY ( 3) C 1 0.51 1.94 0.040 62. BD ( 1) C 4- C 5 127. RY ( 7) C 1 0.29 2.85 0.036 62. BD ( 1) C 4- C 5 226. RY ( 2) C 3 1.18 2.16 0.064 62. BD ( 1) C 4- C 5 729. RY ( 2) H 14 0.47 3.28 0.049 62. BD ( 1) C 4- C 5 758. RY ( 2) H 15 0.39 3.45 0.046 62. BD ( 1) C 4- C 5 759. RY ( 3) H 15 0.32 3.41 0.042 63. BD ( 1) C 4- H 14 92. BD*( 1) C 1- C 5 0.88 0.97 0.037 63. BD ( 1) C 4- H 14 94. BD*( 1) C 2- C 3 0.86 0.95 0.036 63. BD ( 1) C 4- H 14 225. RY ( 1) C 3 0.80 2.34 0.055 63. BD ( 1) C 4- H 14 229. RY ( 5) C 3 0.27 2.65 0.034 63. BD ( 1) C 4- H 14 230. RY ( 6) C 3 0.28 5.15 0.048 63. BD ( 1) C 4- H 14 233. RY ( 9) C 3 0.33 3.52 0.043 63. BD ( 1) C 4- H 14 281. RY ( 5) C 4 0.33 2.89 0.039 63. BD ( 1) C 4- H 14 300. RY (24) C 4 0.33 8.63 0.068 63. BD ( 1) C 4- H 14 329. RY ( 1) C 5 0.74 2.30 0.052 63. BD ( 1) C 4- H 14 335. RY ( 7) C 5 0.27 5.03 0.046 64. BD ( 1) C 5- H 15 91. BD*( 1) C 1- C 2 0.83 0.96 0.036 64. BD ( 1) C 5- H 15 96. BD*( 1) C 3- C 4 0.86 0.96 0.036 64. BD ( 1) C 5- H 15 121. RY ( 1) C 1 0.53 2.17 0.043 64. BD ( 1) C 5- H 15 122. RY ( 2) C 1 0.34 2.28 0.035 64. BD ( 1) C 5- H 15 126. RY ( 6) C 1 0.35 5.38 0.055 64. BD ( 1) C 5- H 15 131. RY (11) C 1 0.37 3.50 0.045 64. BD ( 1) C 5- H 15 277. RY ( 1) C 4 0.60 2.21 0.046 64. BD ( 1) C 5- H 15 278. RY ( 2) C 4 0.28 2.19 0.032 64. BD ( 1) C 5- H 15 282. RY ( 6) C 4 0.35 5.19 0.053 64. BD ( 1) C 5- H 15 286. RY (10) C 4 0.37 3.99 0.048 64. BD ( 1) C 5- H 15 339. RY (11) C 5 0.40 3.08 0.044 64. BD ( 1) C 5- H 15 341. RY (13) C 5 0.27 5.88 0.050 64. BD ( 1) C 5- H 15 359. RY (31) C 5 0.26 7.59 0.056 83. 3C ( 1)C1-C4-C5 91. BD*( 1) C 1- C 2 0.27 0.80 0.019 83. 3C ( 1)C1-C4-C5 119. 3C*( 1)C1-C4-C5 0.66 0.36 0.019 85. 3Cn( 1)C1-C4-C5 91. BD*( 1) C 1- C 2 0.67 0.62 0.026 85. 3Cn( 1)C1-C4-C5 92. BD*( 1) C 1- C 5 0.45 0.62 0.021 85. 3Cn( 1)C1-C4-C5 96. BD*( 1) C 3- C 4 0.59 0.62 0.024 85. 3Cn( 1)C1-C4-C5 98. BD*( 1) C 4- C 5 0.46 0.62 0.021 85. 3Cn( 1)C1-C4-C5 122. RY ( 2) C 1 1.23 1.94 0.062 85. 3Cn( 1)C1-C4-C5 123. RY ( 3) C 1 0.55 1.52 0.036 85. 3Cn( 1)C1-C4-C5 128. RY ( 8) C 1 0.34 3.23 0.042 85. 3Cn( 1)C1-C4-C5 175. RY ( 3) C 2 1.06 1.31 0.047 85. 3Cn( 1)C1-C4-C5 227. RY ( 3) C 3 1.08 1.31 0.047 85. 3Cn( 1)C1-C4-C5 278. RY ( 2) C 4 1.31 1.85 0.062 85. 3Cn( 1)C1-C4-C5 279. RY ( 3) C 4 0.59 1.54 0.038 85. 3Cn( 1)C1-C4-C5 285. RY ( 9) C 4 0.30 3.33 0.040 85. 3Cn( 1)C1-C4-C5 288. RY (12) C 4 0.25 3.36 0.037 85. 3Cn( 1)C1-C4-C5 300. RY (24) C 4 0.25 8.28 0.058 85. 3Cn( 1)C1-C4-C5 332. RY ( 4) C 5 1.85 2.69 0.089 85. 3Cn( 1)C1-C4-C5 343. RY (15) C 5 0.32 4.26 0.047 85. 3Cn( 1)C1-C4-C5 344. RY (16) C 5 0.31 3.77 0.043 85. 3Cn( 1)C1-C4-C5 644. RY ( 4) H 11 0.30 3.08 0.038 from unit 1 to unit 2 45. LP ( 1) C 2 120. 3C*( 1)C6-C7-C10 0.04 0.19 0.003 45. LP ( 1) C 2 383. RY ( 3) C 6 0.03 1.44 0.008 46. LP ( 1) C 3 120. 3C*( 1)C6-C7-C10 0.03 0.19 0.003 46. LP ( 1) C 3 383. RY ( 3) C 6 0.03 1.44 0.008 55. BD ( 1) C 1- C 2 120. 3C*( 1)C6-C7-C10 0.05 0.60 0.007 58. BD ( 1) C 2- C 3 120. 3C*( 1)C6-C7-C10 0.07 0.60 0.008 59. BD ( 1) C 2- H 12 87. LV ( 1) C 8 0.09 0.34 0.007 59. BD ( 1) C 2- H 12 120. 3C*( 1)C6-C7-C10 0.03 0.53 0.005 60. BD ( 1) C 3- C 4 120. 3C*( 1)C6-C7-C10 0.03 0.60 0.005 61. BD ( 1) C 3- H 13 88. LV ( 1) C 9 0.05 0.34 0.005 85. 3Cn( 1)C1-C4-C5 87. LV ( 1) C 8 0.06 0.02 0.001 from unit 1 to unit 3 45. LP ( 1) C 2 89. LV ( 1)Sc 26 2.24 0.18 0.026 45. LP ( 1) C 2 90. LV ( 2)Sc 26 0.23 0.38 0.012 45. LP ( 1) C 2 112. BD*( 1) S 21-Sc 26 0.09 0.28 0.006 45. LP ( 1) C 2 113. BD*( 2) S 21-Sc 26 1.45 0.29 0.026 45. LP ( 1) C 2 117. BD*( 1) S 25-Sc 26 7.69 0.28 0.058 45. LP ( 1) C 2 118. BD*( 2) S 25-Sc 26 4.46 0.29 0.045 45. LP ( 1) C 2 1179. RY ( 5) S 25 0.03 1.51 0.009 45. LP ( 1) C 2 1236. RY ( 1)Sc 26 0.36 0.43 0.016 45. LP ( 1) C 2 1240. RY ( 5)Sc 26 0.06 0.47 0.006 45. LP ( 1) C 2 1242. RY ( 7)Sc 26 0.06 1.23 0.011 45. LP ( 1) C 2 1247. RY (12)Sc 26 0.12 1.87 0.019 45. LP ( 1) C 2 1250. RY (15)Sc 26 0.10 2.34 0.019 45. LP ( 1) C 2 1252. RY (17)Sc 26 0.04 2.35 0.012 45. LP ( 1) C 2 1254. RY (19)Sc 26 0.04 2.49 0.013 45. LP ( 1) C 2 1255. RY (20)Sc 26 0.03 2.15 0.009 45. LP ( 1) C 2 1256. RY (21)Sc 26 0.03 1.59 0.008 45. LP ( 1) C 2 1258. RY (23)Sc 26 0.06 2.20 0.014 45. LP ( 1) C 2 1265. RY (30)Sc 26 0.09 2.23 0.018 45. LP ( 1) C 2 1280. RY (45)Sc 26 0.03 213.08 0.092 45. LP ( 1) C 2 1281. RY (46)Sc 26 0.07 288.37 0.178 45. LP ( 1) C 2 1286. RY (51)Sc 26 0.10 15.10 0.048 45. LP ( 1) C 2 1294. RY (59)Sc 26 0.04 4.90 0.018 45. LP ( 1) C 2 1298. RY (63)Sc 26 0.03 6.88 0.019 45. LP ( 1) C 2 1302. RY (67)Sc 26 0.03 3.80 0.013 45. LP ( 1) C 2 1308. RY (73)Sc 26 0.06 3.19 0.017 45. LP ( 1) C 2 1309. RY (74)Sc 26 0.03 3.75 0.012 45. LP ( 1) C 2 1312. RY (77)Sc 26 0.03 3.41 0.013 46. LP ( 1) C 3 89. LV ( 1)Sc 26 3.68 0.18 0.033 46. LP ( 1) C 3 90. LV ( 2)Sc 26 0.32 0.38 0.014 46. LP ( 1) C 3 112. BD*( 1) S 21-Sc 26 9.52 0.28 0.065 46. LP ( 1) C 3 113. BD*( 2) S 21-Sc 26 3.60 0.29 0.041 46. LP ( 1) C 3 117. BD*( 1) S 25-Sc 26 0.35 0.28 0.012 46. LP ( 1) C 3 118. BD*( 2) S 25-Sc 26 0.16 0.29 0.009 46. LP ( 1) C 3 935. RY ( 5) S 21 0.03 1.56 0.009 46. LP ( 1) C 3 1236. RY ( 1)Sc 26 0.52 0.43 0.019 46. LP ( 1) C 3 1240. RY ( 5)Sc 26 0.10 0.47 0.009 46. LP ( 1) C 3 1242. RY ( 7)Sc 26 0.03 1.23 0.007 46. LP ( 1) C 3 1247. RY (12)Sc 26 0.12 1.87 0.019 46. LP ( 1) C 3 1250. RY (15)Sc 26 0.08 2.34 0.018 46. LP ( 1) C 3 1251. RY (16)Sc 26 0.06 2.35 0.015 46. LP ( 1) C 3 1257. RY (22)Sc 26 0.04 3.54 0.014 46. LP ( 1) C 3 1258. RY (23)Sc 26 0.08 2.20 0.016 46. LP ( 1) C 3 1265. RY (30)Sc 26 0.05 2.23 0.014 46. LP ( 1) C 3 1271. RY (36)Sc 26 0.05 2.54 0.015 46. LP ( 1) C 3 1281. RY (46)Sc 26 0.07 288.37 0.173 46. LP ( 1) C 3 1283. RY (48)Sc 26 0.04 19.12 0.033 46. LP ( 1) C 3 1286. RY (51)Sc 26 0.09 15.10 0.046 46. LP ( 1) C 3 1294. RY (59)Sc 26 0.03 4.90 0.015 46. LP ( 1) C 3 1298. RY (63)Sc 26 0.07 6.88 0.027 46. LP ( 1) C 3 1308. RY (73)Sc 26 0.03 3.19 0.012 46. LP ( 1) C 3 1309. RY (74)Sc 26 0.03 3.75 0.014 46. LP ( 1) C 3 1313. RY (78)Sc 26 0.04 3.66 0.016 55. BD ( 1) C 1- C 2 89. LV ( 1)Sc 26 3.91 0.60 0.061 55. BD ( 1) C 1- C 2 90. LV ( 2)Sc 26 2.86 0.79 0.060 55. BD ( 1) C 1- C 2 113. BD*( 2) S 21-Sc 26 0.06 0.70 0.008 55. BD ( 1) C 1- C 2 117. BD*( 1) S 25-Sc 26 0.53 0.69 0.024 55. BD ( 1) C 1- C 2 118. BD*( 2) S 25-Sc 26 3.43 0.70 0.062 55. BD ( 1) C 1- C 2 1236. RY ( 1)Sc 26 0.19 0.84 0.016 55. BD ( 1) C 1- C 2 1237. RY ( 2)Sc 26 0.21 0.93 0.018 55. BD ( 1) C 1- C 2 1239. RY ( 4)Sc 26 1.69 0.87 0.048 55. BD ( 1) C 1- C 2 1240. RY ( 5)Sc 26 0.04 0.88 0.007 55. BD ( 1) C 1- C 2 1241. RY ( 6)Sc 26 0.18 1.68 0.022 55. BD ( 1) C 1- C 2 1245. RY (10)Sc 26 0.03 2.33 0.011 55. BD ( 1) C 1- C 2 1250. RY (15)Sc 26 0.05 2.75 0.015 55. BD ( 1) C 1- C 2 1259. RY (24)Sc 26 0.03 3.63 0.013 55. BD ( 1) C 1- C 2 1269. RY (34)Sc 26 0.04 3.16 0.014 56. BD ( 1) C 1- C 5 89. LV ( 1)Sc 26 0.97 0.59 0.030 56. BD ( 1) C 1- C 5 90. LV ( 2)Sc 26 7.38 0.79 0.096 56. BD ( 1) C 1- C 5 112. BD*( 1) S 21-Sc 26 0.20 0.68 0.015 56. BD ( 1) C 1- C 5 113. BD*( 2) S 21-Sc 26 0.53 0.69 0.024 56. BD ( 1) C 1- C 5 117. BD*( 1) S 25-Sc 26 0.08 0.68 0.010 56. BD ( 1) C 1- C 5 118. BD*( 2) S 25-Sc 26 1.00 0.69 0.033 56. BD ( 1) C 1- C 5 1236. RY ( 1)Sc 26 0.11 0.83 0.012 56. BD ( 1) C 1- C 5 1237. RY ( 2)Sc 26 0.09 0.92 0.012 56. BD ( 1) C 1- C 5 1238. RY ( 3)Sc 26 0.88 0.84 0.034 56. BD ( 1) C 1- C 5 1239. RY ( 4)Sc 26 1.31 0.86 0.042 56. BD ( 1) C 1- C 5 1240. RY ( 5)Sc 26 0.04 0.87 0.008 56. BD ( 1) C 1- C 5 1241. RY ( 6)Sc 26 0.10 1.67 0.016 56. BD ( 1) C 1- C 5 1245. RY (10)Sc 26 0.03 2.32 0.011 56. BD ( 1) C 1- C 5 1250. RY (15)Sc 26 0.03 2.75 0.011 56. BD ( 1) C 1- C 5 1253. RY (18)Sc 26 0.03 2.75 0.011 56. BD ( 1) C 1- C 5 1255. RY (20)Sc 26 0.04 2.56 0.012 56. BD ( 1) C 1- C 5 1264. RY (29)Sc 26 0.04 2.70 0.012 56. BD ( 1) C 1- C 5 1269. RY (34)Sc 26 0.03 3.15 0.012 56. BD ( 1) C 1- C 5 1286. RY (51)Sc 26 0.03 15.51 0.029 56. BD ( 1) C 1- C 5 1294. RY (59)Sc 26 0.04 5.31 0.018 56. BD ( 1) C 1- C 5 1298. RY (63)Sc 26 0.03 7.28 0.018 56. BD ( 1) C 1- C 5 1305. RY (70)Sc 26 0.03 3.36 0.013 57. BD ( 1) C 1- H 11 89. LV ( 1)Sc 26 0.58 0.52 0.022 57. BD ( 1) C 1- H 11 90. LV ( 2)Sc 26 1.25 0.71 0.038 57. BD ( 1) C 1- H 11 113. BD*( 2) S 21-Sc 26 2.35 0.62 0.048 57. BD ( 1) C 1- H 11 116. BD*( 1) S 24- S 25 0.04 0.55 0.006 57. BD ( 1) C 1- H 11 117. BD*( 1) S 25-Sc 26 0.30 0.61 0.017 57. BD ( 1) C 1- H 11 118. BD*( 2) S 25-Sc 26 0.83 0.62 0.029 57. BD ( 1) C 1- H 11 1236. RY ( 1)Sc 26 0.17 0.76 0.014 57. BD ( 1) C 1- H 11 1237. RY ( 2)Sc 26 0.28 0.85 0.020 57. BD ( 1) C 1- H 11 1238. RY ( 3)Sc 26 0.03 0.76 0.006 57. BD ( 1) C 1- H 11 1239. RY ( 4)Sc 26 0.30 0.79 0.019 57. BD ( 1) C 1- H 11 1240. RY ( 5)Sc 26 0.15 0.80 0.014 57. BD ( 1) C 1- H 11 1241. RY ( 6)Sc 26 0.21 1.60 0.023 57. BD ( 1) C 1- H 11 1246. RY (11)Sc 26 0.04 1.95 0.011 57. BD ( 1) C 1- H 11 1255. RY (20)Sc 26 0.04 2.49 0.013 57. BD ( 1) C 1- H 11 1264. RY (29)Sc 26 0.03 2.62 0.012 57. BD ( 1) C 1- H 11 1286. RY (51)Sc 26 0.03 15.43 0.029 57. BD ( 1) C 1- H 11 1298. RY (63)Sc 26 0.04 7.21 0.022 58. BD ( 1) C 2- C 3 89. LV ( 1)Sc 26 4.57 0.59 0.066 58. BD ( 1) C 2- C 3 90. LV ( 2)Sc 26 1.33 0.79 0.041 58. BD ( 1) C 2- C 3 112. BD*( 1) S 21-Sc 26 0.33 0.69 0.019 58. BD ( 1) C 2- C 3 113. BD*( 2) S 21-Sc 26 2.95 0.70 0.057 58. BD ( 1) C 2- C 3 117. BD*( 1) S 25-Sc 26 0.20 0.69 0.015 58. BD ( 1) C 2- C 3 118. BD*( 2) S 25-Sc 26 1.95 0.70 0.047 58. BD ( 1) C 2- C 3 1238. RY ( 3)Sc 26 0.24 0.84 0.018 58. BD ( 1) C 2- C 3 1239. RY ( 4)Sc 26 1.86 0.86 0.051 58. BD ( 1) C 2- C 3 1240. RY ( 5)Sc 26 0.26 0.88 0.019 58. BD ( 1) C 2- C 3 1245. RY (10)Sc 26 0.03 2.32 0.010 58. BD ( 1) C 2- C 3 1247. RY (12)Sc 26 0.07 2.28 0.016 58. BD ( 1) C 2- C 3 1248. RY (13)Sc 26 0.07 2.40 0.017 58. BD ( 1) C 2- C 3 1259. RY (24)Sc 26 0.03 3.63 0.013 58. BD ( 1) C 2- C 3 1268. RY (33)Sc 26 0.05 3.17 0.016 58. BD ( 1) C 2- C 3 1273. RY (38)Sc 26 0.04 4.38 0.016 58. BD ( 1) C 2- C 3 1301. RY (66)Sc 26 0.03 3.50 0.013 59. BD ( 1) C 2- H 12 89. LV ( 1)Sc 26 0.57 0.53 0.022 59. BD ( 1) C 2- H 12 90. LV ( 2)Sc 26 0.13 0.72 0.012 59. BD ( 1) C 2- H 12 112. BD*( 1) S 21-Sc 26 0.05 0.62 0.007 59. BD ( 1) C 2- H 12 113. BD*( 2) S 21-Sc 26 0.40 0.63 0.020 59. BD ( 1) C 2- H 12 117. BD*( 1) S 25-Sc 26 2.33 0.62 0.048 59. BD ( 1) C 2- H 12 118. BD*( 2) S 25-Sc 26 1.99 0.63 0.045 59. BD ( 1) C 2- H 12 1236. RY ( 1)Sc 26 0.34 0.77 0.021 59. BD ( 1) C 2- H 12 1237. RY ( 2)Sc 26 0.06 0.86 0.009 59. BD ( 1) C 2- H 12 1238. RY ( 3)Sc 26 0.31 0.77 0.019 59. BD ( 1) C 2- H 12 1239. RY ( 4)Sc 26 0.26 0.80 0.018 59. BD ( 1) C 2- H 12 1240. RY ( 5)Sc 26 0.19 0.81 0.016 59. BD ( 1) C 2- H 12 1247. RY (12)Sc 26 0.03 2.22 0.011 59. BD ( 1) C 2- H 12 1250. RY (15)Sc 26 0.06 2.69 0.016 59. BD ( 1) C 2- H 12 1256. RY (21)Sc 26 0.03 1.94 0.009 59. BD ( 1) C 2- H 12 1257. RY (22)Sc 26 0.04 3.88 0.015 59. BD ( 1) C 2- H 12 1265. RY (30)Sc 26 0.04 2.58 0.013 59. BD ( 1) C 2- H 12 1281. RY (46)Sc 26 0.03 288.71 0.110 59. BD ( 1) C 2- H 12 1286. RY (51)Sc 26 0.05 15.44 0.035 59. BD ( 1) C 2- H 12 1294. RY (59)Sc 26 0.04 5.25 0.019 59. BD ( 1) C 2- H 12 1308. RY (73)Sc 26 0.03 3.54 0.013 60. BD ( 1) C 3- C 4 89. LV ( 1)Sc 26 3.41 0.59 0.057 60. BD ( 1) C 3- C 4 90. LV ( 2)Sc 26 3.55 0.79 0.067 60. BD ( 1) C 3- C 4 111. BD*( 1) S 21- S 22 0.03 0.63 0.005 60. BD ( 1) C 3- C 4 112. BD*( 1) S 21-Sc 26 0.33 0.69 0.019 60. BD ( 1) C 3- C 4 113. BD*( 2) S 21-Sc 26 3.24 0.70 0.060 60. BD ( 1) C 3- C 4 117. BD*( 1) S 25-Sc 26 0.05 0.69 0.007 60. BD ( 1) C 3- C 4 118. BD*( 2) S 25-Sc 26 0.32 0.70 0.019 60. BD ( 1) C 3- C 4 1236. RY ( 1)Sc 26 0.26 0.84 0.019 60. BD ( 1) C 3- C 4 1237. RY ( 2)Sc 26 0.26 0.93 0.020 60. BD ( 1) C 3- C 4 1238. RY ( 3)Sc 26 0.04 0.84 0.007 60. BD ( 1) C 3- C 4 1239. RY ( 4)Sc 26 1.53 0.87 0.046 60. BD ( 1) C 3- C 4 1241. RY ( 6)Sc 26 0.22 1.68 0.024 60. BD ( 1) C 3- C 4 1252. RY (17)Sc 26 0.03 2.77 0.011 60. BD ( 1) C 3- C 4 1259. RY (24)Sc 26 0.04 3.63 0.016 60. BD ( 1) C 3- C 4 1268. RY (33)Sc 26 0.03 3.17 0.013 60. BD ( 1) C 3- C 4 1296. RY (61)Sc 26 0.03 3.55 0.012 60. BD ( 1) C 3- C 4 1313. RY (78)Sc 26 0.03 4.08 0.014 61. BD ( 1) C 3- H 13 89. LV ( 1)Sc 26 0.78 0.52 0.026 61. BD ( 1) C 3- H 13 90. LV ( 2)Sc 26 0.19 0.72 0.015 61. BD ( 1) C 3- H 13 112. BD*( 1) S 21-Sc 26 2.66 0.62 0.051 61. BD ( 1) C 3- H 13 113. BD*( 2) S 21-Sc 26 1.81 0.63 0.043 61. BD ( 1) C 3- H 13 1236. RY ( 1)Sc 26 0.55 0.77 0.026 61. BD ( 1) C 3- H 13 1237. RY ( 2)Sc 26 0.15 0.86 0.014 61. BD ( 1) C 3- H 13 1238. RY ( 3)Sc 26 0.23 0.77 0.017 61. BD ( 1) C 3- H 13 1239. RY ( 4)Sc 26 0.24 0.80 0.017 61. BD ( 1) C 3- H 13 1240. RY ( 5)Sc 26 0.06 0.81 0.008 61. BD ( 1) C 3- H 13 1241. RY ( 6)Sc 26 0.06 1.61 0.012 61. BD ( 1) C 3- H 13 1247. RY (12)Sc 26 0.03 2.22 0.010 61. BD ( 1) C 3- H 13 1250. RY (15)Sc 26 0.06 2.68 0.016 61. BD ( 1) C 3- H 13 1257. RY (22)Sc 26 0.05 3.88 0.017 61. BD ( 1) C 3- H 13 1281. RY (46)Sc 26 0.03 288.71 0.110 61. BD ( 1) C 3- H 13 1286. RY (51)Sc 26 0.04 15.44 0.030 61. BD ( 1) C 3- H 13 1298. RY (63)Sc 26 0.04 7.22 0.021 61. BD ( 1) C 3- H 13 1313. RY (78)Sc 26 0.04 4.01 0.015 62. BD ( 1) C 4- C 5 89. LV ( 1)Sc 26 0.65 0.59 0.025 62. BD ( 1) C 4- C 5 90. LV ( 2)Sc 26 7.96 0.79 0.100 62. BD ( 1) C 4- C 5 112. BD*( 1) S 21-Sc 26 0.16 0.69 0.013 62. BD ( 1) C 4- C 5 113. BD*( 2) S 21-Sc 26 0.57 0.69 0.025 62. BD ( 1) C 4- C 5 117. BD*( 1) S 25-Sc 26 0.23 0.69 0.016 62. BD ( 1) C 4- C 5 118. BD*( 2) S 25-Sc 26 0.31 0.69 0.018 62. BD ( 1) C 4- C 5 1236. RY ( 1)Sc 26 0.08 0.84 0.011 62. BD ( 1) C 4- C 5 1237. RY ( 2)Sc 26 0.03 0.92 0.006 62. BD ( 1) C 4- C 5 1238. RY ( 3)Sc 26 1.07 0.84 0.038 62. BD ( 1) C 4- C 5 1239. RY ( 4)Sc 26 1.23 0.86 0.041 62. BD ( 1) C 4- C 5 1240. RY ( 5)Sc 26 0.07 0.87 0.010 62. BD ( 1) C 4- C 5 1241. RY ( 6)Sc 26 0.10 1.67 0.016 62. BD ( 1) C 4- C 5 1245. RY (10)Sc 26 0.03 2.32 0.010 62. BD ( 1) C 4- C 5 1255. RY (20)Sc 26 0.04 2.56 0.012 62. BD ( 1) C 4- C 5 1276. RY (41)Sc 26 0.03 3.60 0.012 62. BD ( 1) C 4- C 5 1281. RY (46)Sc 26 0.03 288.78 0.110 62. BD ( 1) C 4- C 5 1286. RY (51)Sc 26 0.03 15.51 0.028 62. BD ( 1) C 4- C 5 1294. RY (59)Sc 26 0.06 5.31 0.022 62. BD ( 1) C 4- C 5 1305. RY (70)Sc 26 0.05 3.36 0.016 62. BD ( 1) C 4- C 5 1313. RY (78)Sc 26 0.03 4.07 0.014 63. BD ( 1) C 4- H 14 89. LV ( 1)Sc 26 0.20 0.51 0.013 63. BD ( 1) C 4- H 14 90. LV ( 2)Sc 26 1.70 0.71 0.044 63. BD ( 1) C 4- H 14 111. BD*( 1) S 21- S 22 0.03 0.55 0.006 63. BD ( 1) C 4- H 14 112. BD*( 1) S 21-Sc 26 0.04 0.61 0.006 63. BD ( 1) C 4- H 14 113. BD*( 2) S 21-Sc 26 0.75 0.62 0.027 63. BD ( 1) C 4- H 14 117. BD*( 1) S 25-Sc 26 0.03 0.61 0.006 63. BD ( 1) C 4- H 14 118. BD*( 2) S 25-Sc 26 2.43 0.62 0.049 63. BD ( 1) C 4- H 14 1236. RY ( 1)Sc 26 0.07 0.76 0.009 63. BD ( 1) C 4- H 14 1237. RY ( 2)Sc 26 0.24 0.85 0.018 63. BD ( 1) C 4- H 14 1238. RY ( 3)Sc 26 0.16 0.76 0.014 63. BD ( 1) C 4- H 14 1239. RY ( 4)Sc 26 0.20 0.78 0.016 63. BD ( 1) C 4- H 14 1240. RY ( 5)Sc 26 0.18 0.80 0.015 63. BD ( 1) C 4- H 14 1241. RY ( 6)Sc 26 0.19 1.60 0.022 63. BD ( 1) C 4- H 14 1246. RY (11)Sc 26 0.03 1.94 0.009 63. BD ( 1) C 4- H 14 1255. RY (20)Sc 26 0.03 2.49 0.010 63. BD ( 1) C 4- H 14 1261. RY (26)Sc 26 0.04 2.37 0.012 63. BD ( 1) C 4- H 14 1265. RY (30)Sc 26 0.05 2.56 0.014 63. BD ( 1) C 4- H 14 1266. RY (31)Sc 26 0.03 2.85 0.011 63. BD ( 1) C 4- H 14 1286. RY (51)Sc 26 0.04 15.43 0.031 63. BD ( 1) C 4- H 14 1313. RY (78)Sc 26 0.03 3.99 0.013 64. BD ( 1) C 5- H 15 89. LV ( 1)Sc 26 0.71 0.51 0.024 64. BD ( 1) C 5- H 15 90. LV ( 2)Sc 26 3.56 0.70 0.063 64. BD ( 1) C 5- H 15 113. BD*( 2) S 21-Sc 26 0.07 0.61 0.008 64. BD ( 1) C 5- H 15 117. BD*( 1) S 25-Sc 26 0.06 0.60 0.008 64. BD ( 1) C 5- H 15 1238. RY ( 3)Sc 26 0.95 0.76 0.034 64. BD ( 1) C 5- H 15 1239. RY ( 4)Sc 26 0.05 0.78 0.008 64. BD ( 1) C 5- H 15 1258. RY (23)Sc 26 0.05 2.52 0.014 64. BD ( 1) C 5- H 15 1264. RY (29)Sc 26 0.03 2.62 0.010 64. BD ( 1) C 5- H 15 1274. RY (39)Sc 26 0.04 4.05 0.016 64. BD ( 1) C 5- H 15 1281. RY (46)Sc 26 0.03 288.69 0.126 64. BD ( 1) C 5- H 15 1286. RY (51)Sc 26 0.05 15.42 0.034 64. BD ( 1) C 5- H 15 1294. RY (59)Sc 26 0.08 5.23 0.025 64. BD ( 1) C 5- H 15 1298. RY (63)Sc 26 0.03 7.20 0.018 83. 3C ( 1)C1-C4-C5 90. LV ( 2)Sc 26 10.93 0.55 0.097 83. 3C ( 1)C1-C4-C5 112. BD*( 1) S 21-Sc 26 0.04 0.44 0.006 83. 3C ( 1)C1-C4-C5 113. BD*( 2) S 21-Sc 26 0.20 0.45 0.012 83. 3C ( 1)C1-C4-C5 116. BD*( 1) S 24- S 25 0.03 0.38 0.004 83. 3C ( 1)C1-C4-C5 118. BD*( 2) S 25-Sc 26 0.03 0.45 0.004 83. 3C ( 1)C1-C4-C5 1238. RY ( 3)Sc 26 0.04 0.60 0.006 83. 3C ( 1)C1-C4-C5 1240. RY ( 5)Sc 26 0.10 0.63 0.010 83. 3C ( 1)C1-C4-C5 1244. RY ( 9)Sc 26 0.04 2.07 0.012 83. 3C ( 1)C1-C4-C5 1245. RY (10)Sc 26 0.09 2.08 0.017 83. 3C ( 1)C1-C4-C5 1246. RY (11)Sc 26 0.09 1.78 0.016 83. 3C ( 1)C1-C4-C5 1247. RY (12)Sc 26 0.12 2.04 0.020 83. 3C ( 1)C1-C4-C5 1253. RY (18)Sc 26 0.07 2.51 0.017 83. 3C ( 1)C1-C4-C5 1255. RY (20)Sc 26 0.06 2.32 0.015 83. 3C ( 1)C1-C4-C5 1257. RY (22)Sc 26 0.05 3.71 0.018 83. 3C ( 1)C1-C4-C5 1274. RY (39)Sc 26 0.03 3.89 0.013 83. 3C ( 1)C1-C4-C5 1277. RY (42)Sc 26 0.07 3.06 0.019 83. 3C ( 1)C1-C4-C5 1279. RY (44)Sc 26 0.03 3.09 0.011 83. 3C ( 1)C1-C4-C5 1280. RY (45)Sc 26 0.04 213.24 0.121 83. 3C ( 1)C1-C4-C5 1281. RY (46)Sc 26 0.11 288.54 0.229 83. 3C ( 1)C1-C4-C5 1283. RY (48)Sc 26 0.05 19.29 0.041 83. 3C ( 1)C1-C4-C5 1286. RY (51)Sc 26 0.14 15.27 0.059 83. 3C ( 1)C1-C4-C5 1294. RY (59)Sc 26 0.03 5.07 0.016 83. 3C ( 1)C1-C4-C5 1298. RY (63)Sc 26 0.05 7.05 0.024 83. 3C ( 1)C1-C4-C5 1302. RY (67)Sc 26 0.04 3.97 0.016 83. 3C ( 1)C1-C4-C5 1304. RY (69)Sc 26 0.04 3.48 0.014 83. 3C ( 1)C1-C4-C5 1308. RY (73)Sc 26 0.04 3.36 0.015 83. 3C ( 1)C1-C4-C5 1309. RY (74)Sc 26 0.06 3.92 0.020 83. 3C ( 1)C1-C4-C5 1310. RY (75)Sc 26 0.03 3.09 0.011 85. 3Cn( 1)C1-C4-C5 89. LV ( 1)Sc 26 0.33 0.17 0.009 85. 3Cn( 1)C1-C4-C5 90. LV ( 2)Sc 26 0.05 0.36 0.005 85. 3Cn( 1)C1-C4-C5 111. BD*( 1) S 21- S 22 0.07 0.20 0.005 85. 3Cn( 1)C1-C4-C5 112. BD*( 1) S 21-Sc 26 0.03 0.26 0.004 85. 3Cn( 1)C1-C4-C5 113. BD*( 2) S 21-Sc 26 7.77 0.27 0.058 85. 3Cn( 1)C1-C4-C5 116. BD*( 1) S 24- S 25 0.08 0.20 0.005 85. 3Cn( 1)C1-C4-C5 117. BD*( 1) S 25-Sc 26 0.09 0.26 0.006 85. 3Cn( 1)C1-C4-C5 118. BD*( 2) S 25-Sc 26 7.38 0.27 0.057 85. 3Cn( 1)C1-C4-C5 1236. RY ( 1)Sc 26 0.07 0.41 0.007 85. 3Cn( 1)C1-C4-C5 1237. RY ( 2)Sc 26 0.06 0.50 0.007 85. 3Cn( 1)C1-C4-C5 1241. RY ( 6)Sc 26 0.17 1.25 0.019 85. 3Cn( 1)C1-C4-C5 1243. RY ( 8)Sc 26 0.14 1.77 0.020 85. 3Cn( 1)C1-C4-C5 1250. RY (15)Sc 26 0.08 2.33 0.018 85. 3Cn( 1)C1-C4-C5 1252. RY (17)Sc 26 0.06 2.34 0.015 85. 3Cn( 1)C1-C4-C5 1256. RY (21)Sc 26 0.07 1.58 0.013 85. 3Cn( 1)C1-C4-C5 1265. RY (30)Sc 26 0.07 2.22 0.016 85. 3Cn( 1)C1-C4-C5 1278. RY (43)Sc 26 0.03 2.37 0.010 85. 3Cn( 1)C1-C4-C5 1291. RY (56)Sc 26 0.03 3.46 0.013 from unit 2 to unit 1 70. BD ( 1) C 8- C 9 119. 3C*( 1)C1-C4-C5 0.07 0.61 0.008 72. BD ( 1) C 9- C 10 119. 3C*( 1)C1-C4-C5 0.05 0.61 0.007 73. BD ( 1) C 9- H 19 119. 3C*( 1)C1-C4-C5 0.03 0.54 0.005 within unit 2 65. BD ( 1) C 6- C 7 106. BD*( 1) C 8- C 9 0.27 1.03 0.021 65. BD ( 1) C 6- C 7 107. BD*( 1) C 8- H 18 1.65 0.94 0.050 65. BD ( 1) C 6- C 7 110. BD*( 1) C 10- H 20 1.55 0.95 0.049 65. BD ( 1) C 6- C 7 486. RY ( 2) C 8 1.07 2.13 0.060 65. BD ( 1) C 6- C 7 589. RY ( 1) C 10 0.33 2.33 0.035 65. BD ( 1) C 6- C 7 590. RY ( 2) C 10 0.39 2.18 0.037 65. BD ( 1) C 6- C 7 591. RY ( 3) C 10 0.54 2.03 0.042 65. BD ( 1) C 6- C 7 787. RY ( 2) H 16 0.42 3.32 0.047 65. BD ( 1) C 6- C 7 816. RY ( 2) H 17 0.41 3.68 0.049 66. BD ( 1) C 6- C 10 104. BD*( 1) C 7- C 8 0.26 1.04 0.021 66. BD ( 1) C 6- C 10 105. BD*( 1) C 7- H 17 1.55 0.95 0.048 66. BD ( 1) C 6- C 10 106. BD*( 1) C 8- C 9 0.27 1.03 0.021 66. BD ( 1) C 6- C 10 109. BD*( 1) C 9- H 19 1.67 0.94 0.050 66. BD ( 1) C 6- C 10 433. RY ( 1) C 7 0.36 2.35 0.037 66. BD ( 1) C 6- C 10 434. RY ( 2) C 7 0.42 2.17 0.038 66. BD ( 1) C 6- C 10 435. RY ( 3) C 7 0.47 2.03 0.039 66. BD ( 1) C 6- C 10 538. RY ( 2) C 9 1.04 2.13 0.059 66. BD ( 1) C 6- C 10 543. RY ( 7) C 9 0.25 3.71 0.039 66. BD ( 1) C 6- C 10 787. RY ( 2) H 16 0.40 3.32 0.046 66. BD ( 1) C 6- C 10 903. RY ( 2) H 20 0.42 3.63 0.050 67. BD ( 1) C 6- H 16 104. BD*( 1) C 7- C 8 0.86 0.96 0.036 67. BD ( 1) C 6- H 16 108. BD*( 1) C 9- C 10 0.86 0.96 0.036 67. BD ( 1) C 6- H 16 384. RY ( 4) C 6 0.39 2.28 0.038 67. BD ( 1) C 6- H 16 433. RY ( 1) C 7 0.61 2.27 0.047 67. BD ( 1) C 6- H 16 438. RY ( 6) C 7 0.33 5.21 0.052 67. BD ( 1) C 6- H 16 442. RY (10) C 7 0.37 3.60 0.046 67. BD ( 1) C 6- H 16 589. RY ( 1) C 10 0.59 2.25 0.046 67. BD ( 1) C 6- H 16 594. RY ( 6) C 10 0.34 5.26 0.054 67. BD ( 1) C 6- H 16 598. RY (10) C 10 0.40 3.80 0.049 68. BD ( 1) C 7- C 8 87. LV ( 1) C 8 2.48 0.41 0.040 68. BD ( 1) C 7- C 8 102. BD*( 1) C 6- C 10 0.26 1.04 0.021 68. BD ( 1) C 7- C 8 103. BD*( 1) C 6- H 16 1.50 0.96 0.048 68. BD ( 1) C 7- C 8 109. BD*( 1) C 9- H 19 1.59 0.94 0.049 68. BD ( 1) C 7- C 8 120. 3C*( 1)C6-C7-C10 0.46 0.60 0.021 68. BD ( 1) C 7- C 8 381. RY ( 1) C 6 0.36 2.28 0.036 68. BD ( 1) C 7- C 8 382. RY ( 2) C 6 1.00 2.05 0.057 68. BD ( 1) C 7- C 8 537. RY ( 1) C 9 0.35 2.35 0.036 68. BD ( 1) C 7- C 8 538. RY ( 2) C 9 0.96 2.13 0.057 68. BD ( 1) C 7- C 8 816. RY ( 2) H 17 0.29 3.68 0.041 68. BD ( 1) C 7- C 8 845. RY ( 2) H 18 0.34 3.12 0.041 69. BD ( 1) C 7- H 17 102. BD*( 1) C 6- C 10 0.84 0.97 0.036 69. BD ( 1) C 7- H 17 106. BD*( 1) C 8- C 9 0.87 0.96 0.036 69. BD ( 1) C 7- H 17 381. RY ( 1) C 6 0.73 2.20 0.051 69. BD ( 1) C 7- H 17 386. RY ( 6) C 6 0.34 5.25 0.053 69. BD ( 1) C 7- H 17 437. RY ( 5) C 7 0.29 3.00 0.037 69. BD ( 1) C 7- H 17 485. RY ( 1) C 8 0.76 2.28 0.053 69. BD ( 1) C 7- H 17 490. RY ( 6) C 8 0.33 5.31 0.053 69. BD ( 1) C 7- H 17 493. RY ( 9) C 8 0.25 3.93 0.040 70. BD ( 1) C 8- C 9 87. LV ( 1) C 8 2.68 0.41 0.042 70. BD ( 1) C 8- C 9 88. LV ( 1) C 9 2.70 0.41 0.042 70. BD ( 1) C 8- C 9 105. BD*( 1) C 7- H 17 1.49 0.95 0.048 70. BD ( 1) C 8- C 9 110. BD*( 1) C 10- H 20 1.51 0.95 0.048 70. BD ( 1) C 8- C 9 434. RY ( 2) C 7 0.88 2.18 0.055 70. BD ( 1) C 8- C 9 590. RY ( 2) C 10 0.88 2.18 0.055 70. BD ( 1) C 8- C 9 874. RY ( 2) H 19 0.28 3.12 0.038 71. BD ( 1) C 8- H 18 87. LV ( 1) C 8 0.54 0.34 0.017 71. BD ( 1) C 8- H 18 101. BD*( 1) C 6- C 7 0.83 0.97 0.036 71. BD ( 1) C 8- H 18 108. BD*( 1) C 9- C 10 0.83 0.97 0.036 71. BD ( 1) C 8- H 18 433. RY ( 1) C 7 0.67 2.29 0.049 71. BD ( 1) C 8- H 18 438. RY ( 6) C 7 0.34 5.22 0.053 71. BD ( 1) C 8- H 18 537. RY ( 1) C 9 0.67 2.28 0.049 71. BD ( 1) C 8- H 18 542. RY ( 6) C 9 0.36 5.33 0.055 72. BD ( 1) C 9- C 10 88. LV ( 1) C 9 2.64 0.41 0.042 72. BD ( 1) C 9- C 10 101. BD*( 1) C 6- C 7 0.25 1.05 0.021 72. BD ( 1) C 9- C 10 103. BD*( 1) C 6- H 16 1.49 0.96 0.048 72. BD ( 1) C 9- C 10 107. BD*( 1) C 8- H 18 1.59 0.94 0.049 72. BD ( 1) C 9- C 10 120. 3C*( 1)C6-C7-C10 0.50 0.60 0.022 72. BD ( 1) C 9- C 10 381. RY ( 1) C 6 0.30 2.28 0.033 72. BD ( 1) C 9- C 10 382. RY ( 2) C 6 1.03 2.05 0.058 72. BD ( 1) C 9- C 10 485. RY ( 1) C 8 0.34 2.36 0.036 72. BD ( 1) C 9- C 10 486. RY ( 2) C 8 1.01 2.13 0.059 72. BD ( 1) C 9- C 10 874. RY ( 2) H 19 0.33 3.13 0.040 72. BD ( 1) C 9- C 10 903. RY ( 2) H 20 0.31 3.64 0.042 73. BD ( 1) C 9- H 19 88. LV ( 1) C 9 0.55 0.34 0.017 73. BD ( 1) C 9- H 19 102. BD*( 1) C 6- C 10 0.82 0.97 0.036 73. BD ( 1) C 9- H 19 104. BD*( 1) C 7- C 8 0.85 0.97 0.036 73. BD ( 1) C 9- H 19 485. RY ( 1) C 8 0.70 2.29 0.050 73. BD ( 1) C 9- H 19 490. RY ( 6) C 8 0.36 5.32 0.055 73. BD ( 1) C 9- H 19 494. RY (10) C 8 0.25 2.99 0.035 73. BD ( 1) C 9- H 19 589. RY ( 1) C 10 0.66 2.26 0.049 73. BD ( 1) C 9- H 19 594. RY ( 6) C 10 0.34 5.27 0.053 74. BD ( 1) C 10- H 20 101. BD*( 1) C 6- C 7 0.83 0.97 0.036 74. BD ( 1) C 10- H 20 106. BD*( 1) C 8- C 9 0.86 0.96 0.036 74. BD ( 1) C 10- H 20 381. RY ( 1) C 6 0.75 2.21 0.051 74. BD ( 1) C 10- H 20 386. RY ( 6) C 6 0.34 5.25 0.054 74. BD ( 1) C 10- H 20 537. RY ( 1) C 9 0.78 2.27 0.053 74. BD ( 1) C 10- H 20 542. RY ( 6) C 9 0.33 5.32 0.053 74. BD ( 1) C 10- H 20 545. RY ( 9) C 9 0.27 4.02 0.042 74. BD ( 1) C 10- H 20 593. RY ( 5) C 10 0.28 2.85 0.036 74. BD ( 1) C 10- H 20 603. RY (15) C 10 0.28 6.17 0.053 84. 3C ( 1)C6-C7-C10 87. LV ( 1) C 8 12.85 0.17 0.059 84. 3C ( 1)C6-C7-C10 88. LV ( 1) C 9 13.18 0.17 0.060 84. 3C ( 1)C6-C7-C10 120. 3C*( 1)C6-C7-C10 0.57 0.36 0.018 86. 3Cn( 1)C6-C7-C10 87. LV ( 1) C 8 492.76 0.01 0.090 86. 3Cn( 1)C6-C7-C10 88. LV ( 1) C 9 464.21 0.01 0.091 86. 3Cn( 1)C6-C7-C10 101. BD*( 1) C 6- C 7 0.42 0.62 0.020 86. 3Cn( 1)C6-C7-C10 102. BD*( 1) C 6- C 10 0.47 0.62 0.021 86. 3Cn( 1)C6-C7-C10 104. BD*( 1) C 7- C 8 0.57 0.62 0.024 86. 3Cn( 1)C6-C7-C10 108. BD*( 1) C 9- C 10 0.64 0.62 0.025 86. 3Cn( 1)C6-C7-C10 385. RY ( 5) C 6 1.76 2.81 0.089 86. 3Cn( 1)C6-C7-C10 396. RY (16) C 6 0.46 3.94 0.054 86. 3Cn( 1)C6-C7-C10 415. RY (35) C 6 0.41 4.37 0.054 86. 3Cn( 1)C6-C7-C10 434. RY ( 2) C 7 1.12 1.75 0.056 86. 3Cn( 1)C6-C7-C10 435. RY ( 3) C 7 0.79 1.61 0.045 86. 3Cn( 1)C6-C7-C10 441. RY ( 9) C 7 0.26 3.43 0.038 86. 3Cn( 1)C6-C7-C10 444. RY (12) C 7 0.32 2.84 0.038 86. 3Cn( 1)C6-C7-C10 487. RY ( 3) C 8 0.59 1.39 0.036 86. 3Cn( 1)C6-C7-C10 488. RY ( 4) C 8 0.36 1.98 0.034 86. 3Cn( 1)C6-C7-C10 539. RY ( 3) C 9 0.52 1.45 0.035 86. 3Cn( 1)C6-C7-C10 540. RY ( 4) C 9 0.38 1.95 0.034 86. 3Cn( 1)C6-C7-C10 590. RY ( 2) C 10 1.20 1.76 0.058 86. 3Cn( 1)C6-C7-C10 591. RY ( 3) C 10 0.67 1.61 0.042 86. 3Cn( 1)C6-C7-C10 597. RY ( 9) C 10 0.27 3.39 0.038 86. 3Cn( 1)C6-C7-C10 600. RY (12) C 10 0.26 2.73 0.033 from unit 2 to unit 3 65. BD ( 1) C 6- C 7 90. LV ( 2)Sc 26 8.40 0.80 0.103 65. BD ( 1) C 6- C 7 112. BD*( 1) S 21-Sc 26 0.42 0.69 0.022 65. BD ( 1) C 6- C 7 113. BD*( 2) S 21-Sc 26 0.39 0.70 0.021 65. BD ( 1) C 6- C 7 117. BD*( 1) S 25-Sc 26 0.09 0.69 0.010 65. BD ( 1) C 6- C 7 118. BD*( 2) S 25-Sc 26 0.82 0.70 0.030 65. BD ( 1) C 6- C 7 1237. RY ( 2)Sc 26 0.05 0.93 0.008 65. BD ( 1) C 6- C 7 1238. RY ( 3)Sc 26 1.86 0.85 0.050 65. BD ( 1) C 6- C 7 1239. RY ( 4)Sc 26 0.38 0.87 0.023 65. BD ( 1) C 6- C 7 1240. RY ( 5)Sc 26 0.12 0.88 0.013 65. BD ( 1) C 6- C 7 1241. RY ( 6)Sc 26 0.04 1.68 0.010 65. BD ( 1) C 6- C 7 1242. RY ( 7)Sc 26 0.03 1.64 0.009 65. BD ( 1) C 6- C 7 1244. RY ( 9)Sc 26 0.04 2.32 0.011 65. BD ( 1) C 6- C 7 1255. RY (20)Sc 26 0.04 2.57 0.013 65. BD ( 1) C 6- C 7 1260. RY (25)Sc 26 0.04 2.50 0.012 65. BD ( 1) C 6- C 7 1281. RY (46)Sc 26 0.03 288.78 0.115 65. BD ( 1) C 6- C 7 1284. RY (49)Sc 26 0.03 4.66 0.015 65. BD ( 1) C 6- C 7 1286. RY (51)Sc 26 0.06 15.52 0.037 65. BD ( 1) C 6- C 7 1296. RY (61)Sc 26 0.05 3.56 0.016 65. BD ( 1) C 6- C 7 1298. RY (63)Sc 26 0.03 7.29 0.020 66. BD ( 1) C 6- C 10 90. LV ( 2)Sc 26 8.28 0.79 0.102 66. BD ( 1) C 6- C 10 112. BD*( 1) S 21-Sc 26 0.05 0.69 0.008 66. BD ( 1) C 6- C 10 113. BD*( 2) S 21-Sc 26 0.98 0.70 0.033 66. BD ( 1) C 6- C 10 117. BD*( 1) S 25-Sc 26 0.42 0.69 0.022 66. BD ( 1) C 6- C 10 118. BD*( 2) S 25-Sc 26 0.49 0.70 0.023 66. BD ( 1) C 6- C 10 1236. RY ( 1)Sc 26 0.05 0.84 0.008 66. BD ( 1) C 6- C 10 1237. RY ( 2)Sc 26 0.09 0.93 0.011 66. BD ( 1) C 6- C 10 1238. RY ( 3)Sc 26 1.79 0.85 0.049 66. BD ( 1) C 6- C 10 1239. RY ( 4)Sc 26 0.34 0.87 0.022 66. BD ( 1) C 6- C 10 1240. RY ( 5)Sc 26 0.10 0.88 0.012 66. BD ( 1) C 6- C 10 1241. RY ( 6)Sc 26 0.06 1.68 0.013 66. BD ( 1) C 6- C 10 1245. RY (10)Sc 26 0.05 2.33 0.014 66. BD ( 1) C 6- C 10 1246. RY (11)Sc 26 0.03 2.03 0.009 66. BD ( 1) C 6- C 10 1255. RY (20)Sc 26 0.05 2.57 0.014 66. BD ( 1) C 6- C 10 1260. RY (25)Sc 26 0.03 2.49 0.011 66. BD ( 1) C 6- C 10 1261. RY (26)Sc 26 0.03 2.45 0.010 66. BD ( 1) C 6- C 10 1281. RY (46)Sc 26 0.03 288.78 0.113 66. BD ( 1) C 6- C 10 1283. RY (48)Sc 26 0.03 19.53 0.029 66. BD ( 1) C 6- C 10 1286. RY (51)Sc 26 0.06 15.51 0.039 66. BD ( 1) C 6- C 10 1302. RY (67)Sc 26 0.03 4.22 0.014 66. BD ( 1) C 6- C 10 1307. RY (72)Sc 26 0.04 3.63 0.015 67. BD ( 1) C 6- H 16 89. LV ( 1)Sc 26 1.56 0.52 0.036 67. BD ( 1) C 6- H 16 90. LV ( 2)Sc 26 2.97 0.71 0.058 67. BD ( 1) C 6- H 16 113. BD*( 2) S 21-Sc 26 0.11 0.62 0.011 67. BD ( 1) C 6- H 16 118. BD*( 2) S 25-Sc 26 0.21 0.62 0.015 67. BD ( 1) C 6- H 16 1238. RY ( 3)Sc 26 0.24 0.76 0.017 67. BD ( 1) C 6- H 16 1239. RY ( 4)Sc 26 0.85 0.79 0.033 67. BD ( 1) C 6- H 16 1249. RY (14)Sc 26 0.03 2.10 0.010 67. BD ( 1) C 6- H 16 1254. RY (19)Sc 26 0.03 2.82 0.011 67. BD ( 1) C 6- H 16 1257. RY (22)Sc 26 0.03 3.87 0.014 67. BD ( 1) C 6- H 16 1281. RY (46)Sc 26 0.03 288.70 0.112 67. BD ( 1) C 6- H 16 1286. RY (51)Sc 26 0.05 15.43 0.033 67. BD ( 1) C 6- H 16 1294. RY (59)Sc 26 0.04 5.24 0.019 68. BD ( 1) C 7- C 8 89. LV ( 1)Sc 26 2.74 0.60 0.051 68. BD ( 1) C 7- C 8 90. LV ( 2)Sc 26 4.63 0.80 0.077 68. BD ( 1) C 7- C 8 112. BD*( 1) S 21-Sc 26 0.29 0.70 0.018 68. BD ( 1) C 7- C 8 113. BD*( 2) S 21-Sc 26 0.88 0.71 0.031 68. BD ( 1) C 7- C 8 117. BD*( 1) S 25-Sc 26 0.41 0.70 0.021 68. BD ( 1) C 7- C 8 118. BD*( 2) S 25-Sc 26 1.88 0.71 0.046 68. BD ( 1) C 7- C 8 1236. RY ( 1)Sc 26 0.09 0.85 0.011 68. BD ( 1) C 7- C 8 1237. RY ( 2)Sc 26 0.17 0.93 0.016 68. BD ( 1) C 7- C 8 1238. RY ( 3)Sc 26 1.47 0.85 0.045 68. BD ( 1) C 7- C 8 1239. RY ( 4)Sc 26 0.13 0.87 0.013 68. BD ( 1) C 7- C 8 1241. RY ( 6)Sc 26 0.16 1.68 0.021 68. BD ( 1) C 7- C 8 1242. RY ( 7)Sc 26 0.03 1.65 0.008 68. BD ( 1) C 7- C 8 1245. RY (10)Sc 26 0.03 2.33 0.010 68. BD ( 1) C 7- C 8 1246. RY (11)Sc 26 0.03 2.03 0.009 68. BD ( 1) C 7- C 8 1251. RY (16)Sc 26 0.06 2.77 0.017 68. BD ( 1) C 7- C 8 1270. RY (35)Sc 26 0.04 2.96 0.013 68. BD ( 1) C 7- C 8 1309. RY (74)Sc 26 0.03 4.17 0.014 69. BD ( 1) C 7- H 17 89. LV ( 1)Sc 26 0.03 0.52 0.005 69. BD ( 1) C 7- H 17 90. LV ( 2)Sc 26 1.60 0.72 0.043 69. BD ( 1) C 7- H 17 111. BD*( 1) S 21- S 22 0.18 0.56 0.013 69. BD ( 1) C 7- H 17 113. BD*( 2) S 21-Sc 26 0.65 0.63 0.025 69. BD ( 1) C 7- H 17 117. BD*( 1) S 25-Sc 26 0.19 0.62 0.014 69. BD ( 1) C 7- H 17 118. BD*( 2) S 25-Sc 26 2.91 0.63 0.054 69. BD ( 1) C 7- H 17 1237. RY ( 2)Sc 26 0.20 0.86 0.017 69. BD ( 1) C 7- H 17 1238. RY ( 3)Sc 26 0.26 0.77 0.018 69. BD ( 1) C 7- H 17 1239. RY ( 4)Sc 26 0.04 0.79 0.007 69. BD ( 1) C 7- H 17 1240. RY ( 5)Sc 26 0.18 0.81 0.015 69. BD ( 1) C 7- H 17 1241. RY ( 6)Sc 26 0.19 1.61 0.022 69. BD ( 1) C 7- H 17 1242. RY ( 7)Sc 26 0.03 1.57 0.009 69. BD ( 1) C 7- H 17 1261. RY (26)Sc 26 0.04 2.37 0.012 69. BD ( 1) C 7- H 17 1266. RY (31)Sc 26 0.03 2.86 0.012 69. BD ( 1) C 7- H 17 1277. RY (42)Sc 26 0.03 3.24 0.012 69. BD ( 1) C 7- H 17 1286. RY (51)Sc 26 0.03 15.44 0.026 69. BD ( 1) C 7- H 17 1298. RY (63)Sc 26 0.03 7.22 0.019 70. BD ( 1) C 8- C 9 89. LV ( 1)Sc 26 8.00 0.60 0.087 70. BD ( 1) C 8- C 9 90. LV ( 2)Sc 26 2.45 0.80 0.056 70. BD ( 1) C 8- C 9 112. BD*( 1) S 21-Sc 26 0.05 0.69 0.007 70. BD ( 1) C 8- C 9 113. BD*( 2) S 21-Sc 26 0.15 0.70 0.013 70. BD ( 1) C 8- C 9 117. BD*( 1) S 25-Sc 26 0.11 0.69 0.011 70. BD ( 1) C 8- C 9 118. BD*( 2) S 25-Sc 26 0.09 0.70 0.010 70. BD ( 1) C 8- C 9 1238. RY ( 3)Sc 26 1.16 0.85 0.040 70. BD ( 1) C 8- C 9 1239. RY ( 4)Sc 26 1.11 0.87 0.039 70. BD ( 1) C 8- C 9 1240. RY ( 5)Sc 26 0.05 0.88 0.008 70. BD ( 1) C 8- C 9 1246. RY (11)Sc 26 0.09 2.03 0.017 70. BD ( 1) C 8- C 9 1248. RY (13)Sc 26 0.03 2.41 0.011 70. BD ( 1) C 8- C 9 1273. RY (38)Sc 26 0.06 4.39 0.020 70. BD ( 1) C 8- C 9 1294. RY (59)Sc 26 0.03 5.32 0.016 71. BD ( 1) C 8- H 18 89. LV ( 1)Sc 26 1.92 0.53 0.040 71. BD ( 1) C 8- H 18 90. LV ( 2)Sc 26 0.35 0.73 0.020 71. BD ( 1) C 8- H 18 113. BD*( 2) S 21-Sc 26 0.52 0.63 0.023 71. BD ( 1) C 8- H 18 117. BD*( 1) S 25-Sc 26 2.43 0.63 0.049 71. BD ( 1) C 8- H 18 118. BD*( 2) S 25-Sc 26 0.06 0.63 0.008 71. BD ( 1) C 8- H 18 1236. RY ( 1)Sc 26 0.39 0.78 0.022 71. BD ( 1) C 8- H 18 1237. RY ( 2)Sc 26 0.03 0.86 0.006 71. BD ( 1) C 8- H 18 1238. RY ( 3)Sc 26 0.09 0.78 0.010 71. BD ( 1) C 8- H 18 1239. RY ( 4)Sc 26 0.43 0.80 0.024 71. BD ( 1) C 8- H 18 1246. RY (11)Sc 26 0.03 1.96 0.010 71. BD ( 1) C 8- H 18 1256. RY (21)Sc 26 0.08 1.94 0.016 71. BD ( 1) C 8- H 18 1257. RY (22)Sc 26 0.04 3.89 0.015 71. BD ( 1) C 8- H 18 1267. RY (32)Sc 26 0.03 3.06 0.012 71. BD ( 1) C 8- H 18 1273. RY (38)Sc 26 0.03 4.32 0.014 71. BD ( 1) C 8- H 18 1286. RY (51)Sc 26 0.03 15.45 0.028 71. BD ( 1) C 8- H 18 1294. RY (59)Sc 26 0.03 5.25 0.016 71. BD ( 1) C 8- H 18 1308. RY (73)Sc 26 0.03 3.54 0.012 72. BD ( 1) C 9- C 10 89. LV ( 1)Sc 26 3.23 0.60 0.056 72. BD ( 1) C 9- C 10 90. LV ( 2)Sc 26 4.37 0.80 0.075 72. BD ( 1) C 9- C 10 112. BD*( 1) S 21-Sc 26 0.49 0.70 0.023 72. BD ( 1) C 9- C 10 113. BD*( 2) S 21-Sc 26 1.60 0.70 0.042 72. BD ( 1) C 9- C 10 117. BD*( 1) S 25-Sc 26 0.24 0.70 0.016 72. BD ( 1) C 9- C 10 118. BD*( 2) S 25-Sc 26 0.96 0.71 0.033 72. BD ( 1) C 9- C 10 1236. RY ( 1)Sc 26 0.10 0.85 0.011 72. BD ( 1) C 9- C 10 1237. RY ( 2)Sc 26 0.26 0.93 0.020 72. BD ( 1) C 9- C 10 1238. RY ( 3)Sc 26 1.33 0.85 0.042 72. BD ( 1) C 9- C 10 1239. RY ( 4)Sc 26 0.17 0.87 0.015 72. BD ( 1) C 9- C 10 1241. RY ( 6)Sc 26 0.13 1.68 0.019 72. BD ( 1) C 9- C 10 1244. RY ( 9)Sc 26 0.03 2.32 0.010 72. BD ( 1) C 9- C 10 1246. RY (11)Sc 26 0.03 2.03 0.009 72. BD ( 1) C 9- C 10 1252. RY (17)Sc 26 0.03 2.77 0.012 72. BD ( 1) C 9- C 10 1267. RY (32)Sc 26 0.05 3.13 0.016 73. BD ( 1) C 9- H 19 89. LV ( 1)Sc 26 2.19 0.53 0.043 73. BD ( 1) C 9- H 19 90. LV ( 2)Sc 26 0.31 0.73 0.019 73. BD ( 1) C 9- H 19 112. BD*( 1) S 21-Sc 26 2.27 0.63 0.048 73. BD ( 1) C 9- H 19 118. BD*( 2) S 25-Sc 26 0.67 0.63 0.026 73. BD ( 1) C 9- H 19 1236. RY ( 1)Sc 26 0.31 0.78 0.020 73. BD ( 1) C 9- H 19 1237. RY ( 2)Sc 26 0.03 0.86 0.007 73. BD ( 1) C 9- H 19 1238. RY ( 3)Sc 26 0.07 0.78 0.009 73. BD ( 1) C 9- H 19 1239. RY ( 4)Sc 26 0.53 0.80 0.026 73. BD ( 1) C 9- H 19 1240. RY ( 5)Sc 26 0.06 0.81 0.009 73. BD ( 1) C 9- H 19 1246. RY (11)Sc 26 0.04 1.96 0.011 73. BD ( 1) C 9- H 19 1256. RY (21)Sc 26 0.05 1.94 0.013 73. BD ( 1) C 9- H 19 1257. RY (22)Sc 26 0.05 3.89 0.017 73. BD ( 1) C 9- H 19 1268. RY (33)Sc 26 0.03 3.11 0.012 73. BD ( 1) C 9- H 19 1286. RY (51)Sc 26 0.03 15.45 0.028 73. BD ( 1) C 9- H 19 1294. RY (59)Sc 26 0.03 5.25 0.016 73. BD ( 1) C 9- H 19 1309. RY (74)Sc 26 0.03 4.10 0.015 74. BD ( 1) C 10- H 20 90. LV ( 2)Sc 26 1.50 0.72 0.041 74. BD ( 1) C 10- H 20 112. BD*( 1) S 21-Sc 26 0.39 0.62 0.020 74. BD ( 1) C 10- H 20 113. BD*( 2) S 21-Sc 26 3.16 0.63 0.056 74. BD ( 1) C 10- H 20 116. BD*( 1) S 24- S 25 0.12 0.55 0.010 74. BD ( 1) C 10- H 20 118. BD*( 2) S 25-Sc 26 0.63 0.63 0.025 74. BD ( 1) C 10- H 20 1237. RY ( 2)Sc 26 0.23 0.86 0.018 74. BD ( 1) C 10- H 20 1238. RY ( 3)Sc 26 0.22 0.77 0.017 74. BD ( 1) C 10- H 20 1239. RY ( 4)Sc 26 0.03 0.79 0.006 74. BD ( 1) C 10- H 20 1240. RY ( 5)Sc 26 0.18 0.81 0.015 74. BD ( 1) C 10- H 20 1241. RY ( 6)Sc 26 0.23 1.61 0.024 74. BD ( 1) C 10- H 20 1261. RY (26)Sc 26 0.04 2.37 0.013 74. BD ( 1) C 10- H 20 1267. RY (32)Sc 26 0.06 3.05 0.017 74. BD ( 1) C 10- H 20 1286. RY (51)Sc 26 0.03 15.44 0.028 74. BD ( 1) C 10- H 20 1298. RY (63)Sc 26 0.03 7.22 0.018 84. 3C ( 1)C6-C7-C10 89. LV ( 1)Sc 26 1.31 0.36 0.027 84. 3C ( 1)C6-C7-C10 90. LV ( 2)Sc 26 9.33 0.55 0.091 84. 3C ( 1)C6-C7-C10 111. BD*( 1) S 21- S 22 0.14 0.39 0.009 84. 3C ( 1)C6-C7-C10 112. BD*( 1) S 21-Sc 26 0.04 0.45 0.005 84. 3C ( 1)C6-C7-C10 113. BD*( 2) S 21-Sc 26 0.07 0.46 0.007 84. 3C ( 1)C6-C7-C10 116. BD*( 1) S 24- S 25 0.13 0.39 0.009 84. 3C ( 1)C6-C7-C10 117. BD*( 1) S 25-Sc 26 0.08 0.45 0.008 84. 3C ( 1)C6-C7-C10 118. BD*( 2) S 25-Sc 26 0.03 0.46 0.005 84. 3C ( 1)C6-C7-C10 1240. RY ( 5)Sc 26 0.13 0.64 0.011 84. 3C ( 1)C6-C7-C10 1246. RY (11)Sc 26 0.14 1.79 0.020 84. 3C ( 1)C6-C7-C10 1247. RY (12)Sc 26 0.05 2.05 0.012 84. 3C ( 1)C6-C7-C10 1248. RY (13)Sc 26 0.05 2.17 0.014 84. 3C ( 1)C6-C7-C10 1255. RY (20)Sc 26 0.21 2.33 0.028 84. 3C ( 1)C6-C7-C10 1258. RY (23)Sc 26 0.04 2.37 0.012 84. 3C ( 1)C6-C7-C10 1264. RY (29)Sc 26 0.03 2.47 0.011 84. 3C ( 1)C6-C7-C10 1280. RY (45)Sc 26 0.03 213.25 0.103 84. 3C ( 1)C6-C7-C10 1281. RY (46)Sc 26 0.08 288.54 0.197 84. 3C ( 1)C6-C7-C10 1283. RY (48)Sc 26 0.04 19.29 0.037 84. 3C ( 1)C6-C7-C10 1286. RY (51)Sc 26 0.10 15.27 0.049 84. 3C ( 1)C6-C7-C10 1294. RY (59)Sc 26 0.03 5.08 0.015 84. 3C ( 1)C6-C7-C10 1298. RY (63)Sc 26 0.03 7.05 0.020 84. 3C ( 1)C6-C7-C10 1302. RY (67)Sc 26 0.03 3.97 0.013 84. 3C ( 1)C6-C7-C10 1304. RY (69)Sc 26 0.03 3.49 0.013 84. 3C ( 1)C6-C7-C10 1308. RY (73)Sc 26 0.05 3.37 0.017 84. 3C ( 1)C6-C7-C10 1309. RY (74)Sc 26 0.06 3.93 0.019 84. 3C ( 1)C6-C7-C10 1313. RY (78)Sc 26 0.04 3.84 0.015 86. 3Cn( 1)C6-C7-C10 111. BD*( 1) S 21- S 22 0.36 0.21 0.011 86. 3Cn( 1)C6-C7-C10 112. BD*( 1) S 21-Sc 26 0.47 0.27 0.014 86. 3Cn( 1)C6-C7-C10 113. BD*( 2) S 21-Sc 26 8.15 0.28 0.060 86. 3Cn( 1)C6-C7-C10 116. BD*( 1) S 24- S 25 0.24 0.21 0.009 86. 3Cn( 1)C6-C7-C10 117. BD*( 1) S 25-Sc 26 0.23 0.27 0.010 86. 3Cn( 1)C6-C7-C10 118. BD*( 2) S 25-Sc 26 7.17 0.28 0.057 86. 3Cn( 1)C6-C7-C10 1236. RY ( 1)Sc 26 0.19 0.42 0.011 86. 3Cn( 1)C6-C7-C10 1237. RY ( 2)Sc 26 0.09 0.51 0.008 86. 3Cn( 1)C6-C7-C10 1241. RY ( 6)Sc 26 0.35 1.26 0.027 86. 3Cn( 1)C6-C7-C10 1243. RY ( 8)Sc 26 0.06 1.78 0.013 86. 3Cn( 1)C6-C7-C10 1250. RY (15)Sc 26 0.04 2.34 0.012 86. 3Cn( 1)C6-C7-C10 1251. RY (16)Sc 26 0.04 2.35 0.012 86. 3Cn( 1)C6-C7-C10 1252. RY (17)Sc 26 0.09 2.35 0.018 86. 3Cn( 1)C6-C7-C10 1256. RY (21)Sc 26 0.16 1.59 0.020 86. 3Cn( 1)C6-C7-C10 1265. RY (30)Sc 26 0.03 2.23 0.011 86. 3Cn( 1)C6-C7-C10 1267. RY (32)Sc 26 0.03 2.71 0.011 from unit 3 to unit 1 47. LP ( 1) S 21 94. BD*( 1) C 2- C 3 0.03 0.86 0.007 47. LP ( 1) S 21 119. 3C*( 1)C1-C4-C5 0.03 0.44 0.004 48. LP ( 1) S 22 100. BD*( 1) C 5- H 15 0.07 0.92 0.010 49. LP ( 2) S 22 98. BD*( 1) C 4- C 5 0.04 0.74 0.007 49. LP ( 2) S 22 100. BD*( 1) C 5- H 15 0.25 0.66 0.016 53. LP ( 2) S 24 92. BD*( 1) C 1- C 5 0.06 0.74 0.008 53. LP ( 2) S 24 96. BD*( 1) C 3- C 4 0.04 0.73 0.007 53. LP ( 2) S 24 100. BD*( 1) C 5- H 15 0.09 0.66 0.010 54. LP ( 1) S 25 94. BD*( 1) C 2- C 3 0.03 0.86 0.006 54. LP ( 1) S 25 119. 3C*( 1)C1-C4-C5 0.08 0.44 0.008 75. BD ( 1) S 21- S 22 123. RY ( 3) C 1 0.03 1.88 0.009 75. BD ( 1) S 21- S 22 278. RY ( 2) C 4 0.05 2.22 0.013 75. BD ( 1) S 21- S 22 331. RY ( 3) C 5 0.03 1.84 0.010 75. BD ( 1) S 21- S 22 333. RY ( 5) C 5 0.04 2.39 0.013 75. BD ( 1) S 21- S 22 336. RY ( 8) C 5 0.03 3.00 0.012 76. BD ( 1) S 21-Sc 26 125. RY ( 5) C 1 0.05 2.73 0.015 76. BD ( 1) S 21-Sc 26 333. RY ( 5) C 5 0.05 2.31 0.014 77. BD ( 2) S 21-Sc 26 119. 3C*( 1)C1-C4-C5 0.04 0.27 0.004 77. BD ( 2) S 21-Sc 26 125. RY ( 5) C 1 0.03 2.54 0.010 80. BD ( 1) S 24- S 25 122. RY ( 2) C 1 0.04 2.30 0.013 80. BD ( 1) S 24- S 25 175. RY ( 3) C 2 0.03 1.67 0.010 80. BD ( 1) S 24- S 25 330. RY ( 2) C 5 0.03 1.95 0.010 80. BD ( 1) S 24- S 25 333. RY ( 5) C 5 0.04 2.39 0.013 80. BD ( 1) S 24- S 25 337. RY ( 9) C 5 0.04 2.88 0.013 81. BD ( 1) S 25-Sc 26 119. 3C*( 1)C1-C4-C5 0.08 0.47 0.008 81. BD ( 1) S 25-Sc 26 173. RY ( 1) C 2 0.03 2.30 0.010 81. BD ( 1) S 25-Sc 26 281. RY ( 5) C 4 0.05 2.82 0.015 81. BD ( 1) S 25-Sc 26 333. RY ( 5) C 5 0.04 2.31 0.012 82. BD ( 2) S 25-Sc 26 99. BD*( 1) C 4- H 14 0.03 0.62 0.006 82. BD ( 2) S 25-Sc 26 119. 3C*( 1)C1-C4-C5 0.15 0.27 0.008 82. BD ( 2) S 25-Sc 26 280. RY ( 4) C 4 0.03 2.53 0.010 from unit 3 to unit 2 40. CR ( 5)Sc 26 87. LV ( 1) C 8 0.04 1.17 0.009 40. CR ( 5)Sc 26 88. LV ( 1) C 9 0.05 1.17 0.009 47. LP ( 1) S 21 87. LV ( 1) C 8 0.05 0.24 0.004 47. LP ( 1) S 21 88. LV ( 1) C 9 0.09 0.23 0.006 49. LP ( 2) S 22 88. LV ( 1) C 9 0.20 0.10 0.006 52. LP ( 1) S 24 87. LV ( 1) C 8 0.03 0.36 0.004 53. LP ( 2) S 24 87. LV ( 1) C 8 0.23 0.10 0.006 53. LP ( 2) S 24 88. LV ( 1) C 9 0.03 0.10 0.002 54. LP ( 1) S 25 87. LV ( 1) C 8 0.13 0.24 0.007 54. LP ( 1) S 25 88. LV ( 1) C 9 0.05 0.24 0.004 75. BD ( 1) S 21- S 22 88. LV ( 1) C 9 0.08 0.34 0.007 75. BD ( 1) S 21- S 22 382. RY ( 2) C 6 0.03 1.98 0.010 75. BD ( 1) S 21- S 22 539. RY ( 3) C 9 0.20 1.80 0.024 75. BD ( 1) S 21- S 22 540. RY ( 4) C 9 0.03 2.30 0.011 75. BD ( 1) S 21- S 22 590. RY ( 2) C 10 0.03 2.11 0.010 76. BD ( 1) S 21-Sc 26 88. LV ( 1) C 9 0.09 0.26 0.006 76. BD ( 1) S 21-Sc 26 105. BD*( 1) C 7- H 17 0.05 0.81 0.008 76. BD ( 1) S 21-Sc 26 120. 3C*( 1)C6-C7-C10 0.08 0.45 0.007 76. BD ( 1) S 21-Sc 26 383. RY ( 3) C 6 0.13 1.71 0.019 76. BD ( 1) S 21-Sc 26 384. RY ( 4) C 6 0.04 2.21 0.012 76. BD ( 1) S 21-Sc 26 437. RY ( 5) C 7 0.05 2.93 0.016 77. BD ( 2) S 21-Sc 26 87. LV ( 1) C 8 0.03 0.07 0.002 77. BD ( 2) S 21-Sc 26 104. BD*( 1) C 7- C 8 0.03 0.70 0.005 77. BD ( 2) S 21-Sc 26 120. 3C*( 1)C6-C7-C10 0.09 0.26 0.006 77. BD ( 2) S 21-Sc 26 383. RY ( 3) C 6 0.04 1.52 0.010 78. BD ( 1) S 22- S 23 383. RY ( 3) C 6 0.03 1.82 0.009 78. BD ( 1) S 22- S 23 539. RY ( 3) C 9 0.03 1.83 0.009 79. BD ( 1) S 23- S 24 383. RY ( 3) C 6 0.03 1.82 0.009 79. BD ( 1) S 23- S 24 487. RY ( 3) C 8 0.03 1.77 0.009 80. BD ( 1) S 24- S 25 87. LV ( 1) C 8 0.09 0.34 0.007 80. BD ( 1) S 24- S 25 487. RY ( 3) C 8 0.22 1.74 0.025 80. BD ( 1) S 24- S 25 488. RY ( 4) C 8 0.05 2.34 0.014 81. BD ( 1) S 25-Sc 26 87. LV ( 1) C 8 0.09 0.26 0.006 81. BD ( 1) S 25-Sc 26 110. BD*( 1) C 10- H 20 0.04 0.80 0.008 81. BD ( 1) S 25-Sc 26 383. RY ( 3) C 6 0.13 1.71 0.019 81. BD ( 1) S 25-Sc 26 384. RY ( 4) C 6 0.05 2.21 0.014 81. BD ( 1) S 25-Sc 26 593. RY ( 5) C 10 0.05 2.78 0.016 82. BD ( 2) S 25-Sc 26 88. LV ( 1) C 9 0.03 0.07 0.002 82. BD ( 2) S 25-Sc 26 120. 3C*( 1)C6-C7-C10 0.14 0.26 0.008 82. BD ( 2) S 25-Sc 26 383. RY ( 3) C 6 0.04 1.52 0.010 within unit 3 47. LP ( 1) S 21 89. LV ( 1)Sc 26 1.44 0.42 0.031 47. LP ( 1) S 21 112. BD*( 1) S 21-Sc 26 0.42 0.52 0.019 47. LP ( 1) S 21 113. BD*( 2) S 21-Sc 26 0.92 0.53 0.028 47. LP ( 1) S 21 118. BD*( 2) S 25-Sc 26 0.80 0.53 0.026 47. LP ( 1) S 21 994. RY ( 3) S 22 0.48 0.88 0.026 47. LP ( 1) S 21 1236. RY ( 1)Sc 26 3.64 0.67 0.062 47. LP ( 1) S 21 1237. RY ( 2)Sc 26 0.42 0.75 0.023 47. LP ( 1) S 21 1238. RY ( 3)Sc 26 1.28 0.67 0.037 48. LP ( 1) S 22 89. LV ( 1)Sc 26 0.38 0.55 0.018 48. LP ( 1) S 22 112. BD*( 1) S 21-Sc 26 0.60 0.64 0.025 49. LP ( 2) S 22 89. LV ( 1)Sc 26 1.51 0.29 0.026 49. LP ( 2) S 22 115. BD*( 1) S 23- S 24 3.69 0.29 0.041 49. LP ( 2) S 22 118. BD*( 2) S 25-Sc 26 0.41 0.39 0.016 49. LP ( 2) S 22 931. RY ( 1) S 21 1.30 0.96 0.045 49. LP ( 2) S 22 997. RY ( 6) S 22 0.32 1.67 0.029 49. LP ( 2) S 22 1053. RY ( 1) S 23 1.54 0.93 0.048 49. LP ( 2) S 22 1054. RY ( 2) S 23 0.28 0.86 0.020 49. LP ( 2) S 22 1239. RY ( 4)Sc 26 0.31 0.56 0.017 51. LP ( 2) S 23 111. BD*( 1) S 21- S 22 2.79 0.33 0.039 51. LP ( 2) S 23 116. BD*( 1) S 24- S 25 2.82 0.33 0.039 51. LP ( 2) S 23 992. RY ( 1) S 22 1.08 0.88 0.039 51. LP ( 2) S 23 993. RY ( 2) S 22 0.48 0.88 0.026 51. LP ( 2) S 23 1114. RY ( 1) S 24 1.07 0.88 0.039 51. LP ( 2) S 23 1115. RY ( 2) S 24 0.52 0.90 0.027 52. LP ( 1) S 24 89. LV ( 1)Sc 26 0.57 0.55 0.022 52. LP ( 1) S 24 117. BD*( 1) S 25-Sc 26 0.65 0.65 0.026 53. LP ( 2) S 24 89. LV ( 1)Sc 26 2.04 0.28 0.030 53. LP ( 2) S 24 113. BD*( 2) S 21-Sc 26 0.43 0.39 0.016 53. LP ( 2) S 24 114. BD*( 1) S 22- S 23 3.68 0.29 0.041 53. LP ( 2) S 24 1053. RY ( 1) S 23 1.51 0.92 0.047 53. LP ( 2) S 24 1054. RY ( 2) S 23 0.34 0.86 0.022 53. LP ( 2) S 24 1175. RY ( 1) S 25 1.30 0.96 0.045 53. LP ( 2) S 24 1239. RY ( 4)Sc 26 0.39 0.56 0.018 54. LP ( 1) S 25 89. LV ( 1)Sc 26 1.22 0.42 0.029 54. LP ( 1) S 25 113. BD*( 2) S 21-Sc 26 0.72 0.53 0.025 54. LP ( 1) S 25 117. BD*( 1) S 25-Sc 26 0.45 0.52 0.019 54. LP ( 1) S 25 118. BD*( 2) S 25-Sc 26 0.72 0.53 0.025 54. LP ( 1) S 25 1116. RY ( 3) S 24 0.57 0.86 0.028 54. LP ( 1) S 25 1236. RY ( 1)Sc 26 3.90 0.67 0.065 54. LP ( 1) S 25 1237. RY ( 2)Sc 26 0.31 0.76 0.019 54. LP ( 1) S 25 1238. RY ( 3)Sc 26 1.28 0.67 0.037 75. BD ( 1) S 21- S 22 89. LV ( 1)Sc 26 0.91 0.53 0.028 75. BD ( 1) S 21- S 22 114. BD*( 1) S 22- S 23 0.47 0.53 0.020 75. BD ( 1) S 21- S 22 1055. RY ( 3) S 23 0.42 1.21 0.029 75. BD ( 1) S 21- S 22 1059. RY ( 7) S 23 0.32 2.13 0.033 75. BD ( 1) S 21- S 22 1236. RY ( 1)Sc 26 0.68 0.78 0.029 75. BD ( 1) S 21- S 22 1242. RY ( 7)Sc 26 0.52 1.57 0.036 75. BD ( 1) S 21- S 22 1243. RY ( 8)Sc 26 0.33 2.14 0.034 75. BD ( 1) S 21- S 22 1245. RY (10)Sc 26 0.65 2.26 0.048 76. BD ( 1) S 21-Sc 26 113. BD*( 2) S 21-Sc 26 0.32 0.56 0.017 76. BD ( 1) S 21-Sc 26 118. BD*( 2) S 25-Sc 26 0.62 0.56 0.023 76. BD ( 1) S 21-Sc 26 994. RY ( 3) S 22 0.44 0.90 0.025 76. BD ( 1) S 21-Sc 26 1236. RY ( 1)Sc 26 0.26 0.70 0.017 77. BD ( 2) S 21-Sc 26 111. BD*( 1) S 21- S 22 0.42 0.29 0.014 77. BD ( 2) S 21-Sc 26 113. BD*( 2) S 21-Sc 26 0.27 0.36 0.012 77. BD ( 2) S 21-Sc 26 114. BD*( 1) S 22- S 23 3.61 0.26 0.039 77. BD ( 2) S 21-Sc 26 117. BD*( 1) S 25-Sc 26 0.26 0.35 0.012 77. BD ( 2) S 21-Sc 26 118. BD*( 2) S 25-Sc 26 3.11 0.36 0.042 77. BD ( 2) S 21-Sc 26 992. RY ( 1) S 22 1.49 0.84 0.045 77. BD ( 2) S 21-Sc 26 993. RY ( 2) S 22 0.40 0.83 0.023 77. BD ( 2) S 21-Sc 26 1237. RY ( 2)Sc 26 0.92 0.59 0.029 78. BD ( 1) S 22- S 23 89. LV ( 1)Sc 26 0.27 0.56 0.015 78. BD ( 1) S 22- S 23 115. BD*( 1) S 23- S 24 0.34 0.56 0.017 78. BD ( 1) S 22- S 23 932. RY ( 2) S 21 0.72 1.68 0.044 78. BD ( 1) S 22- S 23 1117. RY ( 4) S 24 0.45 1.24 0.030 79. BD ( 1) S 23- S 24 89. LV ( 1)Sc 26 0.30 0.56 0.016 79. BD ( 1) S 23- S 24 114. BD*( 1) S 22- S 23 0.34 0.56 0.017 79. BD ( 1) S 23- S 24 995. RY ( 4) S 22 0.41 1.22 0.028 79. BD ( 1) S 23- S 24 1176. RY ( 2) S 25 0.70 1.65 0.043 80. BD ( 1) S 24- S 25 89. LV ( 1)Sc 26 1.17 0.53 0.031 80. BD ( 1) S 24- S 25 115. BD*( 1) S 23- S 24 0.47 0.53 0.020 80. BD ( 1) S 24- S 25 1055. RY ( 3) S 23 0.39 1.21 0.027 80. BD ( 1) S 24- S 25 1236. RY ( 1)Sc 26 0.76 0.78 0.031 80. BD ( 1) S 24- S 25 1242. RY ( 7)Sc 26 0.47 1.57 0.034 80. BD ( 1) S 24- S 25 1243. RY ( 8)Sc 26 0.29 2.13 0.031 80. BD ( 1) S 24- S 25 1244. RY ( 9)Sc 26 0.70 2.25 0.050 81. BD ( 1) S 25-Sc 26 113. BD*( 2) S 21-Sc 26 0.54 0.56 0.022 81. BD ( 1) S 25-Sc 26 1116. RY ( 3) S 24 0.48 0.89 0.026 81. BD ( 1) S 25-Sc 26 1236. RY ( 1)Sc 26 0.30 0.70 0.018 82. BD ( 2) S 25-Sc 26 112. BD*( 1) S 21-Sc 26 0.29 0.35 0.013 82. BD ( 2) S 25-Sc 26 113. BD*( 2) S 21-Sc 26 3.13 0.36 0.043 82. BD ( 2) S 25-Sc 26 115. BD*( 1) S 23- S 24 3.66 0.26 0.039 82. BD ( 2) S 25-Sc 26 116. BD*( 1) S 24- S 25 0.43 0.29 0.014 82. BD ( 2) S 25-Sc 26 118. BD*( 2) S 25-Sc 26 0.28 0.36 0.013 82. BD ( 2) S 25-Sc 26 1114. RY ( 1) S 24 1.55 0.83 0.045 82. BD ( 2) S 25-Sc 26 1115. RY ( 2) S 24 0.33 0.85 0.021 82. BD ( 2) S 25-Sc 26 1237. RY ( 2)Sc 26 0.93 0.59 0.030 NATURAL BOND ORBITALS (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) =============================================================================== Molecular unit 1 (C5H5) ------ Lewis -------------------------------------- 1. CR ( 1) C 1 0.99999 -10.06894 2. CR ( 1) C 2 0.99999 -10.07212 3. CR ( 1) C 3 0.99999 -10.07107 4. CR ( 1) C 4 0.99999 -10.06787 5. CR ( 1) C 5 0.99999 -10.06014 45. LP ( 1) C 2 0.57156 -0.01169 119(v),117(r),118(r),89(r) 124(v),227(v),113(r),175(g) 91(g),94(g),228(v),670(v) 184(g),97(v),673(v),93(v) 1236(r),259(v),180(g) 210(g),193(g),123(v),90(r) 1247(r),1250(r),1286(r) 1265(r),112(r),1281(r) 1242(r),1308(r),1258(r) 1240(r),1254(r),1294(r) 120(r),1252(r),1179(r) 1298(r),1312(r),1302(r) 1256(r),383(r),1255(r) 1309(r),1280(r) 46. LP ( 1) C 3 0.57616 -0.01128 119(v),112(r),89(r),113(r) 280(v),175(v),227(g),94(g) 96(g),176(v),699(v),1236(r) 95(v),235(g),702(v),232(g) 117(r),99(v),90(r),259(g) 118(r),1247(r),1240(r) 1286(r),1250(r),1258(r) 1281(r),1298(r),1251(r) 1271(r),1265(r),1313(r) 1283(r),1257(r),1309(r) 935(r),383(r),1294(r) 1308(r),1242(r),120(r) 55. BD ( 1) C 1- C 2 0.98047 -0.42413 89(r),118(r),90(r),1239(r) 97(v),100(v),330(v),226(v) 117(r),119(g),225(v),642(v) 329(v),671(v),98(v),1237(r) 1236(r),1241(r),113(r) 1250(r),120(r),1269(r) 1240(r),1245(r),1259(r) 56. BD ( 1) C 1- C 5 0.97984 -0.41838 90(r),95(v),99(v),1239(r) 174(v),118(r),89(r),1238(r) 113(r),277(v),758(v),279(v) 642(v),278(v),283(v),761(v) 94(v),96(v),112(r),1236(r) 1241(r),1237(r),117(r) 1240(r),1294(r),1255(r) 1264(r),1286(r),1305(r) 1245(r),1253(r),1298(r) 1269(r),1250(r) 57. BD ( 1) C 1- H 11 0.98376 -0.34474 113(r),90(r),94(v),98(v) 118(r),173(v),329(v),89(r) 335(v),125(g),181(v),178(v) 1239(r),117(r),1237(r) 133(g),337(v),145(g) 1241(r),1236(r),1240(r) 1255(r),1298(r),116(r) 1246(r),1286(r),1264(r) 1238(r) 58. BD ( 1) C 2- C 3 0.97874 -0.42127 89(r),113(r),118(r),1239(r) 93(v),99(v),90(r),122(v) 278(v),279(v),123(v),112(r) 1240(r),1238(r),117(r) 1248(r),120(r),1247(r) 1268(r),1273(r),1301(r) 1259(r),1245(r) 59. BD ( 1) C 2- H 12 0.98360 -0.35446 117(r),118(r),96(v),92(v) 121(v),225(v),89(r),113(r) 230(v),126(v),1236(r) 1238(r),234(v),1239(r) 1240(r),90(r),87(r),1237(r) 1250(r),1286(r),112(r) 1294(r),1265(r),1257(r) 1247(r),1308(r),120(r) 1281(r),1256(r) 60. BD ( 1) C 3- C 4 0.98026 -0.42333 90(r),89(r),113(r),95(v) 1239(r),100(v),330(v) 174(v),119(g),173(v),329(v) 112(r),118(r),729(v),700(v) 92(v),1237(r),1236(r) 1241(r),117(r),1259(r) 1238(r),1268(r),120(r) 1313(r),1252(r),111(r) 1296(r) 61. BD ( 1) C 3- H 13 0.98344 -0.35345 112(r),113(r),91(v),98(v) 89(r),277(v),173(v),1236(r) 178(v),282(v),182(v),293(v) 1239(r),1238(r),90(r) 1237(r),1250(r),1241(r) 1240(r),88(r),1257(r) 1298(r),1286(r),1313(r) 1247(r),1281(r) 62. BD ( 1) C 4- C 5 0.98021 -0.41936 90(r),97(v),93(v),1239(r) 226(v),1238(r),89(r),113(r) 123(v),729(v),121(v),758(v) 759(v),118(r),127(v),94(v) 122(v),91(v),117(r),112(r) 1241(r),1236(r),1240(r) 1294(r),1305(r),1255(r) 1313(r),1286(r),1245(r) 1237(r),1281(r),1276(r) 63. BD ( 1) C 4- H 14 0.98407 -0.34285 118(r),90(r),92(v),94(v) 225(v),113(r),329(v),233(v) 300(g),281(g),230(v),229(v) 335(v),1237(r),89(r) 1239(r),1241(r),1240(r) 1238(r),1236(r),1265(r) 1286(r),1261(r),112(r) 111(r),117(r),1266(r) 1255(r),1313(r),1246(r) 64. BD ( 1) C 5- H 15 0.98392 -0.33709 90(r),1238(r),96(v),91(v) 89(r),277(v),121(v),339(g) 131(v),286(v),126(v),282(v) 122(v),278(v),341(g),359(g) 1294(r),113(r),117(r) 1258(r),1239(r),1286(r) 1274(r),1281(r),1298(r) 1264(r) 83. 3C ( 1) C 1- C 4- C 5 0.94823 -0.17850 90(r),119(g),91(g),113(r) 1286(r),1247(r),1281(r) 1240(r),1246(r),1245(r) 1253(r),1277(r),1309(r) 1255(r),1283(r),1257(r) 1298(r),112(r),1244(r) 1308(r),1280(r),1302(r) 1238(r),1304(r),1294(r) 118(r),1274(r),116(r) 1310(r),1279(r) 85. 3Cn( 1) C 1- C 4- C 5 0.63631 0.00255 113(r),118(r),332(g),278(g) 122(g),227(v),175(v),91(g) 279(g),96(g),123(g),98(g) 92(g),128(g),89(r),343(g) 344(g),285(g),644(v),300(g) 288(g),1241(r),1243(r) 117(r),116(r),1250(r) 111(r),1236(r),1265(r) 1256(r),87(r),1252(r) 1237(r),90(r),112(r) 1291(r),1278(r) ------ non-Lewis ---------------------------------- 91. BD*( 1) C 1- C 2 0.00784 0.61892 92. BD*( 1) C 1- C 5 0.00732 0.62248 93. BD*( 1) C 1- H 11 0.00727 0.53110 94. BD*( 1) C 2- C 3 0.00858 0.60951 95. BD*( 1) C 2- H 12 0.00774 0.51758 96. BD*( 1) C 3- C 4 0.00768 0.62002 97. BD*( 1) C 3- H 13 0.00769 0.51654 98. BD*( 1) C 4- C 5 0.00727 0.62566 99. BD*( 1) C 4- H 14 0.00747 0.53479 100. BD*( 1) C 5- H 15 0.00935 0.54430 119. 3C*( 1) C 1- C 4- C 5 0.07924 0.18492 121. RY ( 1) C 1 0.00201 1.83737 122. RY ( 2) C 1 0.00150 1.93952 123. RY ( 3) C 1 0.00135 1.52244 124. RY ( 4) C 1 0.00059 2.51655 125. RY ( 5) C 1 0.00037 2.44817 126. RY ( 6) C 1 0.00023 5.04113 127. RY ( 7) C 1 0.00015 2.42736 128. RY ( 8) C 1 0.00009 3.23114 129. RY ( 9) C 1 0.00009 2.63175 130. RY (10) C 1 0.00004 2.98963 131. RY (11) C 1 0.00003 3.16153 132. RY (12) C 1 0.00002 3.21006 133. RY (13) C 1 0.00001 4.41866 134. RY (14) C 1 0.00001 3.20635 135. RY (15) C 1 0.00001 5.12607 136. RY (16) C 1 0.00001 4.91016 137. RY (17) C 1 0.00000 4.98447 138. RY (18) C 1 0.00000 3.68237 139. RY (19) C 1 0.00000 6.06912 140. RY (20) C 1 0.00000 6.58850 141. RY (21) C 1 0.00000 7.49994 142. RY (22) C 1 0.00000 6.64621 143. RY (23) C 1 0.00000 6.80541 144. RY (24) C 1 0.00000 6.10529 145. RY (25) C 1 0.00000 9.40448 146. RY (26) C 1 0.00000 5.07996 147. RY (27) C 1 0.00000 6.16027 148. RY (28) C 1 0.00000 4.82925 149. RY (29) C 1 0.00000 5.62183 150. RY (30) C 1 0.00000 5.32159 151. RY (31) C 1 0.00000 5.46471 152. RY (32) C 1 0.00000 4.72922 153. RY (33) C 1 0.00000 5.04990 154. RY (34) C 1 0.00000 4.74896 155. RY (35) C 1 0.00000 4.67430 156. RY (36) C 1 0.00000 4.04996 157. RY (37) C 1 0.00000 3.66561 158. RY (38) C 1 0.00000 5.45237 159. RY (39) C 1 0.00000 59.51420 160. RY (40) C 1 0.00000 55.81323 161. RY (41) C 1 0.00000 11.08207 162. RY (42) C 1 0.00000 20.18056 163. RY (43) C 1 0.00000 7.26616 164. RY (44) C 1 0.00000 7.05463 165. RY (45) C 1 0.00000 6.58392 166. RY (46) C 1 0.00000 7.78137 167. RY (47) C 1 0.00000 7.76171 168. RY (48) C 1 0.00000 6.38095 169. RY (49) C 1 0.00000 9.59459 170. RY (50) C 1 0.00000 8.61835 171. RY (51) C 1 0.00000 8.18864 172. RY (52) C 1 0.00000 7.26045 173. RY ( 1) C 2 0.00178 2.01932 174. RY ( 2) C 2 0.00132 1.74519 175. RY ( 3) C 2 0.00087 1.31079 176. RY ( 4) C 2 0.00036 2.94826 177. RY ( 5) C 2 0.00030 2.12587 178. RY ( 6) C 2 0.00022 4.92128 179. RY ( 7) C 2 0.00014 3.06702 180. RY ( 8) C 2 0.00006 2.22126 181. RY ( 9) C 2 0.00004 3.77556 182. RY (10) C 2 0.00002 2.72136 183. RY (11) C 2 0.00002 2.57455 184. RY (12) C 2 0.00001 2.04192 185. RY (13) C 2 0.00001 4.32699 186. RY (14) C 2 0.00001 4.44760 187. RY (15) C 2 0.00001 4.10324 188. RY (16) C 2 0.00000 6.29666 189. RY (17) C 2 0.00000 6.76334 190. RY (18) C 2 0.00000 8.05824 191. RY (19) C 2 0.00000 5.84701 192. RY (20) C 2 0.00000 7.71391 193. RY (21) C 2 0.00000 7.83538 194. RY (22) C 2 0.00000 9.57389 195. RY (23) C 2 0.00000 5.66940 196. RY (24) C 2 0.00000 4.80102 197. RY (25) C 2 0.00000 4.52397 198. RY (26) C 2 0.00000 5.53214 199. RY (27) C 2 0.00000 4.62263 200. RY (28) C 2 0.00000 5.23315 201. RY (29) C 2 0.00000 4.57244 202. RY (30) C 2 0.00000 4.90229 203. RY (31) C 2 0.00000 6.35996 204. RY (32) C 2 0.00000 3.79692 205. RY (33) C 2 0.00000 4.52859 206. RY (34) C 2 0.00000 3.97663 207. RY (35) C 2 0.00000 3.96534 208. RY (36) C 2 0.00000 5.42666 209. RY (37) C 2 0.00000 5.44135 210. RY (38) C 2 0.00000 4.83975 211. RY (39) C 2 0.00000 105.75089 212. RY (40) C 2 0.00000 7.17911 213. RY (41) C 2 0.00000 7.68705 214. RY (42) C 2 0.00000 7.21052 215. RY (43) C 2 0.00000 15.83393 216. RY (44) C 2 0.00000 13.36530 217. RY (45) C 2 0.00000 9.28766 218. RY (46) C 2 0.00000 7.58606 219. RY (47) C 2 0.00000 7.33697 220. RY (48) C 2 0.00000 7.04534 221. RY (49) C 2 0.00000 6.63442 222. RY (50) C 2 0.00000 7.43126 223. RY (51) C 2 0.00000 11.91228 224. RY (52) C 2 0.00000 7.37807 225. RY ( 1) C 3 0.00180 2.00049 226. RY ( 2) C 3 0.00137 1.74097 227. RY ( 3) C 3 0.00085 1.30926 228. RY ( 4) C 3 0.00035 2.97316 229. RY ( 5) C 3 0.00028 2.30252 230. RY ( 6) C 3 0.00022 4.81155 231. RY ( 7) C 3 0.00013 2.94724 232. RY ( 8) C 3 0.00007 2.34342 233. RY ( 9) C 3 0.00004 3.17656 234. RY (10) C 3 0.00003 2.73766 235. RY (11) C 3 0.00002 2.07423 236. RY (12) C 3 0.00002 3.03860 237. RY (13) C 3 0.00001 4.76487 238. RY (14) C 3 0.00001 3.79464 239. RY (15) C 3 0.00001 4.19375 240. RY (16) C 3 0.00000 6.53497 241. RY (17) C 3 0.00000 6.22203 242. RY (18) C 3 0.00000 7.21739 243. RY (19) C 3 0.00000 7.47740 244. RY (20) C 3 0.00000 6.84008 245. RY (21) C 3 0.00000 6.86952 246. RY (22) C 3 0.00000 7.76022 247. RY (23) C 3 0.00000 7.63384 248. RY (24) C 3 0.00000 5.56695 249. RY (25) C 3 0.00000 4.00662 250. RY (26) C 3 0.00000 4.62278 251. RY (27) C 3 0.00000 5.17798 252. RY (28) C 3 0.00000 5.93030 253. RY (29) C 3 0.00000 5.40814 254. RY (30) C 3 0.00000 5.43775 255. RY (31) C 3 0.00000 5.74672 256. RY (32) C 3 0.00000 4.40901 257. RY (33) C 3 0.00000 3.56448 258. RY (34) C 3 0.00000 4.66280 259. RY (35) C 3 0.00000 5.66128 260. RY (36) C 3 0.00000 4.29787 261. RY (37) C 3 0.00000 5.32601 262. RY (38) C 3 0.00000 3.93955 263. RY (39) C 3 0.00000 94.62724 264. RY (40) C 3 0.00000 23.77470 265. RY (41) C 3 0.00000 7.19340 266. RY (42) C 3 0.00000 7.65945 267. RY (43) C 3 0.00000 6.79487 268. RY (44) C 3 0.00000 11.30650 269. RY (45) C 3 0.00000 10.20091 270. RY (46) C 3 0.00000 7.71729 271. RY (47) C 3 0.00000 6.71082 272. RY (48) C 3 0.00000 6.99572 273. RY (49) C 3 0.00000 14.79414 274. RY (50) C 3 0.00000 8.92402 275. RY (51) C 3 0.00000 7.96093 276. RY (52) C 3 0.00000 7.39692 277. RY ( 1) C 4 0.00201 1.87027 278. RY ( 2) C 4 0.00153 1.85656 279. RY ( 3) C 4 0.00132 1.54602 280. RY ( 4) C 4 0.00061 2.44453 281. RY ( 5) C 4 0.00035 2.54264 282. RY ( 6) C 4 0.00023 4.85087 283. RY ( 7) C 4 0.00017 2.73347 284. RY ( 8) C 4 0.00010 2.54236 285. RY ( 9) C 4 0.00008 3.33508 286. RY (10) C 4 0.00005 3.65518 287. RY (11) C 4 0.00003 2.38161 288. RY (12) C 4 0.00002 3.36217 289. RY (13) C 4 0.00002 3.85935 290. RY (14) C 4 0.00001 2.80962 291. RY (15) C 4 0.00001 5.46146 292. RY (16) C 4 0.00000 5.00947 293. RY (17) C 4 0.00000 4.83974 294. RY (18) C 4 0.00001 5.27715 295. RY (19) C 4 0.00000 6.03458 296. RY (20) C 4 0.00000 6.96302 297. RY (21) C 4 0.00000 6.52975 298. RY (22) C 4 0.00000 7.90919 299. RY (23) C 4 0.00000 6.55260 300. RY (24) C 4 0.00000 8.28488 301. RY (25) C 4 0.00000 6.62981 302. RY (26) C 4 0.00000 6.65264 303. RY (27) C 4 0.00000 6.28996 304. RY (28) C 4 0.00000 5.32538 305. RY (29) C 4 0.00000 4.75373 306. RY (30) C 4 0.00000 5.01494 307. RY (31) C 4 0.00000 3.87613 308. RY (32) C 4 0.00000 4.50680 309. RY (33) C 4 0.00000 4.89240 310. RY (34) C 4 0.00000 4.53438 311. RY (35) C 4 0.00000 4.26954 312. RY (36) C 4 0.00000 3.60277 313. RY (37) C 4 0.00000 3.59663 314. RY (38) C 4 0.00000 6.02725 315. RY (39) C 4 0.00000 102.83970 316. RY (40) C 4 0.00000 15.47002 317. RY (41) C 4 0.00000 16.52306 318. RY (42) C 4 0.00000 8.53950 319. RY (43) C 4 0.00000 6.67563 320. RY (44) C 4 0.00000 7.44691 321. RY (45) C 4 0.00000 8.26542 322. RY (46) C 4 0.00000 10.69883 323. RY (47) C 4 0.00000 6.83719 324. RY (48) C 4 0.00000 7.04321 325. RY (49) C 4 0.00000 7.78257 326. RY (50) C 4 0.00000 10.06615 327. RY (51) C 4 0.00000 7.48325 328. RY (52) C 4 0.00000 8.03098 329. RY ( 1) C 5 0.00201 1.95862 330. RY ( 2) C 5 0.00146 1.59641 331. RY ( 3) C 5 0.00072 1.48334 332. RY ( 4) C 5 0.00040 2.68820 333. RY ( 5) C 5 0.00037 2.03029 334. RY ( 6) C 5 0.00026 2.43376 335. RY ( 7) C 5 0.00024 4.69005 336. RY ( 8) C 5 0.00015 2.64497 337. RY ( 9) C 5 0.00012 2.52064 338. RY (10) C 5 0.00006 3.35225 339. RY (11) C 5 0.00004 2.74384 340. RY (12) C 5 0.00003 3.10036 341. RY (13) C 5 0.00002 5.53901 342. RY (14) C 5 0.00001 3.71125 343. RY (15) C 5 0.00001 4.25893 344. RY (16) C 5 0.00001 3.76761 345. RY (17) C 5 0.00001 5.06461 346. RY (18) C 5 0.00000 5.15214 347. RY (19) C 5 0.00000 6.52803 348. RY (20) C 5 0.00000 3.82149 349. RY (21) C 5 0.00000 7.35710 350. RY (22) C 5 0.00000 7.57057 351. RY (23) C 5 0.00000 7.74306 352. RY (24) C 5 0.00000 5.95022 353. RY (25) C 5 0.00000 6.69911 354. RY (26) C 5 0.00000 5.83599 355. RY (27) C 5 0.00000 6.20022 356. RY (28) C 5 0.00000 5.16695 357. RY (29) C 5 0.00000 5.43649 358. RY (30) C 5 0.00000 6.58348 359. RY (31) C 5 0.00000 7.25322 360. RY (32) C 5 0.00000 4.48077 361. RY (33) C 5 0.00000 5.22245 362. RY (34) C 5 0.00000 4.07074 363. RY (35) C 5 0.00000 4.50704 364. RY (36) C 5 0.00000 4.48209 365. RY (37) C 5 0.00000 5.20776 366. RY (38) C 5 0.00000 4.62473 367. RY (39) C 5 0.00000 115.53433 368. RY (40) C 5 0.00000 7.00577 369. RY (41) C 5 0.00000 13.78674 370. RY (42) C 5 0.00000 7.21405 371. RY (43) C 5 0.00000 7.90702 372. RY (44) C 5 0.00000 8.91094 373. RY (45) C 5 0.00000 8.99505 374. RY (46) C 5 0.00000 11.35346 375. RY (47) C 5 0.00000 7.08608 376. RY (48) C 5 0.00000 7.56033 377. RY (49) C 5 0.00000 6.93653 378. RY (50) C 5 0.00000 7.98346 379. RY (51) C 5 0.00000 6.85659 380. RY (52) C 5 0.00000 6.97213 641. RY ( 1) H 11 0.00035 1.75617 642. RY ( 2) H 11 0.00027 2.73013 643. RY ( 3) H 11 0.00018 3.32403 644. RY ( 4) H 11 0.00009 3.07900 645. RY ( 5) H 11 0.00005 3.02414 646. RY ( 6) H 11 0.00002 4.09060 647. RY ( 7) H 11 0.00001 5.86116 648. RY ( 8) H 11 0.00000 5.40839 649. RY ( 9) H 11 0.00000 5.78639 650. RY (10) H 11 0.00000 6.05458 651. RY (11) H 11 0.00000 8.40828 652. RY (12) H 11 0.00000 7.96658 653. RY (13) H 11 0.00000 7.45358 654. RY (14) H 11 0.00000 8.01950 655. RY (15) H 11 0.00000 7.33316 656. RY (16) H 11 0.00000 6.80495 657. RY (17) H 11 0.00000 7.86887 658. RY (18) H 11 0.00000 6.15206 659. RY (19) H 11 0.00000 6.97311 660. RY (20) H 11 0.00000 6.27903 661. RY (21) H 11 0.00000 7.33279 662. RY (22) H 11 0.00000 5.19668 663. RY (23) H 11 0.00000 4.59306 664. RY (24) H 11 0.00000 9.26398 665. RY (25) H 11 0.00000 8.88523 666. RY (26) H 11 0.00000 9.23241 667. RY (27) H 11 0.00000 8.05840 668. RY (28) H 11 0.00000 8.22209 669. RY (29) H 11 0.00000 8.82118 670. RY ( 1) H 12 0.00032 2.28708 671. RY ( 2) H 12 0.00021 2.75434 672. RY ( 3) H 12 0.00017 3.53471 673. RY ( 4) H 12 0.00008 2.78807 674. RY ( 5) H 12 0.00006 2.55620 675. RY ( 6) H 12 0.00001 5.83111 676. RY ( 7) H 12 0.00001 4.21462 677. RY ( 8) H 12 0.00000 5.62184 678. RY ( 9) H 12 0.00000 6.35054 679. RY (10) H 12 0.00000 5.42884 680. RY (11) H 12 0.00000 7.28328 681. RY (12) H 12 0.00000 7.82699 682. RY (13) H 12 0.00000 8.17998 683. RY (14) H 12 0.00000 7.59220 684. RY (15) H 12 0.00000 7.66525 685. RY (16) H 12 0.00000 7.19498 686. RY (17) H 12 0.00000 5.81809 687. RY (18) H 12 0.00000 7.88987 688. RY (19) H 12 0.00000 9.47454 689. RY (20) H 12 0.00000 4.67027 690. RY (21) H 12 0.00000 6.78757 691. RY (22) H 12 0.00000 5.17346 692. RY (23) H 12 0.00000 4.54719 693. RY (24) H 12 0.00000 8.54215 694. RY (25) H 12 0.00000 7.59858 695. RY (26) H 12 0.00000 9.55521 696. RY (27) H 12 0.00000 8.37016 697. RY (28) H 12 0.00000 8.74533 698. RY (29) H 12 0.00000 9.70756 699. RY ( 1) H 13 0.00032 2.32764 700. RY ( 2) H 13 0.00021 2.76168 701. RY ( 3) H 13 0.00017 3.53410 702. RY ( 4) H 13 0.00008 2.77329 703. RY ( 5) H 13 0.00005 2.57058 704. RY ( 6) H 13 0.00001 6.65652 705. RY ( 7) H 13 0.00001 3.26044 706. RY ( 8) H 13 0.00000 5.84593 707. RY ( 9) H 13 0.00000 5.72774 708. RY (10) H 13 0.00000 5.41974 709. RY (11) H 13 0.00000 7.24686 710. RY (12) H 13 0.00000 7.97168 711. RY (13) H 13 0.00000 7.55722 712. RY (14) H 13 0.00000 8.00754 713. RY (15) H 13 0.00000 7.11372 714. RY (16) H 13 0.00000 6.06581 715. RY (17) H 13 0.00000 7.60061 716. RY (18) H 13 0.00000 10.16857 717. RY (19) H 13 0.00000 4.33538 718. RY (20) H 13 0.00000 4.78512 719. RY (21) H 13 0.00000 7.71593 720. RY (22) H 13 0.00000 4.25766 721. RY (23) H 13 0.00000 8.83953 722. RY (24) H 13 0.00000 8.88331 723. RY (25) H 13 0.00000 9.40790 724. RY (26) H 13 0.00000 7.38080 725. RY (27) H 13 0.00000 8.59838 726. RY (28) H 13 0.00000 8.68787 727. RY (29) H 13 0.00000 8.49285 728. RY ( 1) H 14 0.00048 1.51125 729. RY ( 2) H 14 0.00026 2.86025 730. RY ( 3) H 14 0.00019 3.14072 731. RY ( 4) H 14 0.00010 3.03828 732. RY ( 5) H 14 0.00004 3.47557 733. RY ( 6) H 14 0.00002 4.08573 734. RY ( 7) H 14 0.00001 5.58929 735. RY ( 8) H 14 0.00001 5.23852 736. RY ( 9) H 14 0.00000 5.55726 737. RY (10) H 14 0.00000 5.82187 738. RY (11) H 14 0.00000 9.84150 739. RY (12) H 14 0.00000 8.07875 740. RY (13) H 14 0.00000 8.19437 741. RY (14) H 14 0.00000 7.23210 742. RY (15) H 14 0.00000 6.78898 743. RY (16) H 14 0.00000 7.32930 744. RY (17) H 14 0.00000 7.90996 745. RY (18) H 14 0.00000 7.08979 746. RY (19) H 14 0.00000 6.80243 747. RY (20) H 14 0.00000 5.51387 748. RY (21) H 14 0.00000 9.05797 749. RY (22) H 14 0.00000 3.69263 750. RY (23) H 14 0.00000 5.24525 751. RY (24) H 14 0.00000 9.19111 752. RY (25) H 14 0.00000 9.19933 753. RY (26) H 14 0.00000 8.34659 754. RY (27) H 14 0.00000 8.31658 755. RY (28) H 14 0.00000 8.08004 756. RY (29) H 14 0.00000 7.69207 757. RY ( 1) H 15 0.00088 1.60925 758. RY ( 2) H 15 0.00028 3.03163 759. RY ( 3) H 15 0.00023 2.99007 760. RY ( 4) H 15 0.00019 3.06319 761. RY ( 5) H 15 0.00003 4.69308 762. RY ( 6) H 15 0.00002 5.82614 763. RY ( 7) H 15 0.00002 4.71321 764. RY ( 8) H 15 0.00001 4.99440 765. RY ( 9) H 15 0.00001 5.37635 766. RY (10) H 15 0.00000 4.66803 767. RY (11) H 15 0.00000 4.87295 768. RY (12) H 15 0.00000 7.73599 769. RY (13) H 15 0.00000 7.78747 770. RY (14) H 15 0.00000 7.98996 771. RY (15) H 15 0.00000 8.39838 772. RY (16) H 15 0.00000 7.26575 773. RY (17) H 15 0.00000 7.55900 774. RY (18) H 15 0.00000 9.20803 775. RY (19) H 15 0.00000 5.04444 776. RY (20) H 15 0.00000 4.63573 777. RY (21) H 15 0.00000 6.87883 778. RY (22) H 15 0.00000 7.03849 779. RY (23) H 15 0.00000 7.38547 780. RY (24) H 15 0.00000 8.78313 781. RY (25) H 15 0.00000 8.35290 782. RY (26) H 15 0.00000 9.64129 783. RY (27) H 15 0.00000 9.14740 784. RY (28) H 15 0.00000 8.35843 785. RY (29) H 15 0.00000 7.60248 ------------------------------- Total Lewis 17.55051 ( 98.9154%) Valence non-Lewis 0.15745 ( 0.8874%) Rydberg non-Lewis 0.03499 ( 0.1972%) ------------------------------- Total unit 1 17.74295 (100.0000%) Charge unit 1 -0.24295 Molecular unit 2 (C5H5) ------ Lewis -------------------------------------- 6. CR ( 1) C 6 0.99999 -10.07103 7. CR ( 1) C 7 0.99999 -10.07611 8. CR ( 1) C 8 0.99999 -10.07766 9. CR ( 1) C 9 0.99999 -10.07791 10. CR ( 1) C 10 0.99999 -10.07658 65. BD ( 1) C 6- C 7 0.98032 -0.42796 90(r),1238(r),107(v),110(v) 486(v),118(r),591(v),112(r) 787(v),816(v),590(v),113(r) 1239(r),589(v),106(v) 1240(r),117(r),1286(r) 1296(r),1237(r),1255(r) 1241(r),1260(r),1244(r) 1298(r),1242(r),1281(r) 1284(r) 66. BD ( 1) C 6- C 10 0.98005 -0.42734 90(r),1238(r),109(v),105(v) 538(v),113(r),118(r),435(v) 903(v),117(r),434(v),787(v) 433(v),1239(r),106(v) 104(v),543(v),1240(r) 1237(r),1286(r),1241(r) 112(r),1245(r),1236(r) 1255(r),1307(r),1260(r) 1302(r),1283(r),1281(r) 1246(r),1261(r) 67. BD ( 1) C 6- H 16 0.98374 -0.34538 90(r),89(r),104(v),108(v) 1239(r),433(v),589(v) 598(v),384(g),442(v),594(v) 438(v),1238(r),118(r) 113(r),1286(r),1294(r) 1257(r),1249(r),1281(r) 1254(r) 68. BD ( 1) C 7- C 8 0.98008 -0.43003 90(r),89(r),87(g),118(r) 109(v),103(v),1238(r) 382(v),538(v),113(r),120(g) 117(r),381(v),537(v),845(v) 112(r),816(v),102(v) 1237(r),1241(r),1239(r) 1236(r),1251(r),1270(r) 1309(r),1245(r),1242(r) 1246(r) 69. BD ( 1) C 7- H 17 0.98270 -0.35197 118(r),90(r),106(v),102(v) 485(v),381(v),113(r),386(v) 490(v),437(g),1238(r) 493(v),1237(r),1241(r) 117(r),1240(r),111(r) 1239(r),1261(r),1266(r) 1298(r),1242(r),1277(r) 89(r),1286(r) 70. BD ( 1) C 8- C 9 0.97879 -0.42835 89(r),88(g),87(g),90(r) 110(v),105(v),1238(r) 1239(r),434(v),590(v) 874(v),113(r),117(r),118(r) 1246(r),119(r),1273(r) 1240(r),112(r),1248(r) 1294(r) 71. BD ( 1) C 8- H 18 0.98356 -0.35915 117(r),89(r),108(v),101(v) 433(v),537(v),87(g),113(r) 1239(r),1236(r),542(v) 90(r),438(v),1238(r) 1256(r),118(r),1257(r) 1246(r),1286(r),1294(r) 1267(r),1273(r),1308(r) 1237(r) 72. BD ( 1) C 9- C 10 0.97991 -0.42957 90(r),89(r),88(g),113(r) 107(v),103(v),1238(r) 382(v),486(v),118(r),120(g) 112(r),485(v),874(v),903(v) 381(v),1237(r),101(v) 117(r),1239(r),1241(r) 1236(r),119(r),1267(r) 1252(r),1244(r),1246(r) 73. BD ( 1) C 9- H 19 0.98336 -0.35907 112(r),89(r),104(v),102(v) 485(v),118(r),589(v),88(g) 1239(r),490(v),594(v) 1236(r),90(r),494(v) 1238(r),1240(r),1256(r) 1257(r),1246(r),1309(r) 1286(r),1237(r),119(r) 1294(r),1268(r) 74. BD ( 1) C 10- H 20 0.98236 -0.35252 113(r),90(r),106(v),101(v) 537(v),381(v),118(r),112(r) 386(v),542(v),603(g),593(g) 545(v),1241(r),1237(r) 1238(r),1240(r),116(r) 1267(r),1261(r),1286(r) 1298(r),1239(r) 84. 3C ( 1) C 6- C 7- C 10 0.94711 -0.18620 88(v),87(v),90(r),89(r) 120(g),1255(r),111(r) 1246(r),1240(r),116(r) 1286(r),117(r),1281(r) 113(r),1309(r),1308(r) 1248(r),1247(r),1283(r) 1258(r),112(r),1313(r) 1298(r),1280(r),1304(r) 1264(r),118(r),1294(r) 1302(r) 86. 3Cn( 1) C 6- C 7- C 10 0.63707 -0.00605 87(v),88(v),113(r),118(r) 385(g),590(g),434(g),435(g) 591(g),108(g),487(v),104(g) 539(v),112(r),102(g),396(g) 101(g),415(g),540(v),111(r) 488(v),1241(r),444(g) 597(g),441(g),600(g),116(r) 117(r),1236(r),1256(r) 1252(r),1237(r),1243(r) 1250(r),1251(r),1265(r) 1267(r) ------ non-Lewis ---------------------------------- 87. LV ( 1) C 8 0.56759 -0.01640 88. LV ( 1) C 9 0.56792 -0.01720 101. BD*( 1) C 6- C 7 0.00685 0.61570 102. BD*( 1) C 6- C 10 0.00685 0.61390 103. BD*( 1) C 6- H 16 0.00702 0.52722 104. BD*( 1) C 7- C 8 0.00749 0.61335 105. BD*( 1) C 7- H 17 0.00765 0.52643 106. BD*( 1) C 8- C 9 0.00869 0.60690 107. BD*( 1) C 8- H 18 0.00760 0.51305 108. BD*( 1) C 9- C 10 0.00767 0.61106 109. BD*( 1) C 9- H 19 0.00762 0.51304 110. BD*( 1) C 10- H 20 0.00748 0.52396 120. 3C*( 1) C 6- C 7- C 10 0.07800 0.17402 381. RY ( 1) C 6 0.00206 1.85272 382. RY ( 2) C 6 0.00148 1.62004 383. RY ( 3) C 6 0.00084 1.42893 384. RY ( 4) C 6 0.00047 1.93242 385. RY ( 5) C 6 0.00040 2.80823 386. RY ( 6) C 6 0.00023 4.89751 387. RY ( 7) C 6 0.00016 2.39411 388. RY ( 8) C 6 0.00008 3.35066 389. RY ( 9) C 6 0.00007 3.08003 390. RY (10) C 6 0.00004 2.43807 391. RY (11) C 6 0.00004 2.26814 392. RY (12) C 6 0.00002 3.62239 393. RY (13) C 6 0.00002 3.89353 394. RY (14) C 6 0.00001 5.54697 395. RY (15) C 6 0.00001 5.02512 396. RY (16) C 6 0.00001 3.93484 397. RY (17) C 6 0.00000 6.19968 398. RY (18) C 6 0.00000 7.83940 399. RY (19) C 6 0.00000 6.77298 400. RY (20) C 6 0.00000 5.96075 401. RY (21) C 6 0.00000 5.65128 402. RY (22) C 6 0.00000 6.39567 403. RY (23) C 6 0.00000 6.21540 404. RY (24) C 6 0.00000 5.89837 405. RY (25) C 6 0.00000 6.52456 406. RY (26) C 6 0.00000 5.90597 407. RY (27) C 6 0.00000 6.53931 408. RY (28) C 6 0.00000 5.67397 409. RY (29) C 6 0.00000 3.85668 410. RY (30) C 6 0.00000 5.77658 411. RY (31) C 6 0.00000 5.00918 412. RY (32) C 6 0.00000 5.45796 413. RY (33) C 6 0.00000 5.02953 414. RY (34) C 6 0.00000 5.19501 415. RY (35) C 6 0.00000 4.35994 416. RY (36) C 6 0.00000 4.32696 417. RY (37) C 6 0.00000 4.66214 418. RY (38) C 6 0.00000 5.58135 419. RY (39) C 6 0.00000 3.99398 420. RY (40) C 6 0.00000 99.29469 421. RY (41) C 6 0.00000 21.68274 422. RY (42) C 6 0.00000 10.50611 423. RY (43) C 6 0.00000 7.45001 424. RY (44) C 6 0.00000 7.00187 425. RY (45) C 6 0.00000 11.31842 426. RY (46) C 6 0.00000 7.69900 427. RY (47) C 6 0.00000 7.40037 428. RY (48) C 6 0.00000 7.08313 429. RY (49) C 6 0.00000 10.87044 430. RY (50) C 6 0.00000 7.77548 431. RY (51) C 6 0.00000 6.71126 432. RY (52) C 6 0.00000 12.81234 433. RY ( 1) C 7 0.00191 1.92626 434. RY ( 2) C 7 0.00153 1.74695 435. RY ( 3) C 7 0.00125 1.60415 436. RY ( 4) C 7 0.00059 2.51494 437. RY ( 5) C 7 0.00035 2.64960 438. RY ( 6) C 7 0.00024 4.86199 439. RY ( 7) C 7 0.00014 2.33268 440. RY ( 8) C 7 0.00011 2.72275 441. RY ( 9) C 7 0.00007 3.42748 442. RY (10) C 7 0.00005 3.25954 443. RY (11) C 7 0.00003 1.97342 444. RY (12) C 7 0.00003 2.83659 445. RY (13) C 7 0.00001 4.06348 446. RY (14) C 7 0.00001 5.18858 447. RY (15) C 7 0.00001 5.48866 448. RY (16) C 7 0.00001 3.62812 449. RY (17) C 7 0.00000 5.05011 450. RY (18) C 7 0.00000 4.19196 451. RY (19) C 7 0.00000 6.80110 452. RY (20) C 7 0.00000 8.22591 453. RY (21) C 7 0.00000 6.86851 454. RY (22) C 7 0.00000 7.30770 455. RY (23) C 7 0.00000 6.99499 456. RY (24) C 7 0.00000 7.53744 457. RY (25) C 7 0.00000 6.02996 458. RY (26) C 7 0.00000 6.81364 459. RY (27) C 7 0.00000 6.06903 460. RY (28) C 7 0.00000 4.39804 461. RY (29) C 7 0.00000 6.49701 462. RY (30) C 7 0.00000 6.03152 463. RY (31) C 7 0.00000 4.27500 464. RY (32) C 7 0.00000 5.38254 465. RY (33) C 7 0.00000 4.54559 466. RY (34) C 7 0.00000 4.55536 467. RY (35) C 7 0.00000 4.72039 468. RY (36) C 7 0.00000 4.50468 469. RY (37) C 7 0.00000 3.92011 470. RY (38) C 7 0.00000 4.85772 471. RY (39) C 7 0.00000 4.03335 472. RY (40) C 7 0.00000 104.57455 473. RY (41) C 7 0.00000 7.82133 474. RY (42) C 7 0.00000 14.18717 475. RY (43) C 7 0.00000 6.53650 476. RY (44) C 7 0.00000 13.52691 477. RY (45) C 7 0.00000 10.96265 478. RY (46) C 7 0.00000 8.34371 479. RY (47) C 7 0.00000 13.44654 480. RY (48) C 7 0.00000 7.85785 481. RY (49) C 7 0.00000 7.18575 482. RY (50) C 7 0.00000 6.64386 483. RY (51) C 7 0.00000 7.81158 484. RY (52) C 7 0.00000 6.92602 485. RY ( 1) C 8 0.00182 1.92622 486. RY ( 2) C 8 0.00140 1.70174 487. RY ( 3) C 8 0.00091 1.38574 488. RY ( 4) C 8 0.00051 1.97793 489. RY ( 5) C 8 0.00036 3.00979 490. RY ( 6) C 8 0.00022 4.95979 491. RY ( 7) C 8 0.00014 3.20558 492. RY ( 8) C 8 0.00007 2.26424 493. RY ( 9) C 8 0.00005 3.57812 494. RY (10) C 8 0.00003 2.63070 495. RY (11) C 8 0.00002 2.48206 496. RY (12) C 8 0.00001 2.79963 497. RY (13) C 8 0.00001 4.62528 498. RY (14) C 8 0.00001 3.68757 499. RY (15) C 8 0.00001 4.05892 500. RY (16) C 8 0.00001 4.07681 501. RY (17) C 8 0.00000 7.06665 502. RY (18) C 8 0.00000 7.73791 503. RY (19) C 8 0.00000 6.78463 504. RY (20) C 8 0.00000 6.78172 505. RY (21) C 8 0.00000 7.35407 506. RY (22) C 8 0.00000 6.75931 507. RY (23) C 8 0.00000 7.22853 508. RY (24) C 8 0.00000 7.46867 509. RY (25) C 8 0.00000 5.29865 510. RY (26) C 8 0.00000 5.14992 511. RY (27) C 8 0.00000 4.55240 512. RY (28) C 8 0.00000 6.05365 513. RY (29) C 8 0.00000 5.32398 514. RY (30) C 8 0.00000 4.39983 515. RY (31) C 8 0.00000 4.68353 516. RY (32) C 8 0.00000 4.60297 517. RY (33) C 8 0.00000 4.90030 518. RY (34) C 8 0.00000 4.99844 519. RY (35) C 8 0.00000 4.47823 520. RY (36) C 8 0.00000 5.32728 521. RY (37) C 8 0.00000 4.30657 522. RY (38) C 8 0.00000 4.84915 523. RY (39) C 8 0.00000 22.70677 524. RY (40) C 8 0.00000 70.95236 525. RY (41) C 8 0.00000 9.19941 526. RY (42) C 8 0.00000 27.49311 527. RY (43) C 8 0.00000 6.86750 528. RY (44) C 8 0.00000 13.63240 529. RY (45) C 8 0.00000 7.05647 530. RY (46) C 8 0.00000 12.42988 531. RY (47) C 8 0.00000 10.68181 532. RY (48) C 8 0.00000 7.22971 533. RY (49) C 8 0.00000 11.71159 534. RY (50) C 8 0.00000 7.35792 535. RY (51) C 8 0.00000 7.18306 536. RY (52) C 8 0.00000 7.13230 537. RY ( 1) C 9 0.00180 1.91771 538. RY ( 2) C 9 0.00136 1.69978 539. RY ( 3) C 9 0.00094 1.44218 540. RY ( 4) C 9 0.00053 1.94035 541. RY ( 5) C 9 0.00037 2.97049 542. RY ( 6) C 9 0.00023 4.97082 543. RY ( 7) C 9 0.00014 3.28631 544. RY ( 8) C 9 0.00007 2.08774 545. RY ( 9) C 9 0.00005 3.66498 546. RY (10) C 9 0.00004 2.74499 547. RY (11) C 9 0.00002 2.65461 548. RY (12) C 9 0.00001 2.29151 549. RY (13) C 9 0.00001 4.14618 550. RY (14) C 9 0.00001 4.28997 551. RY (15) C 9 0.00001 4.18600 552. RY (16) C 9 0.00001 4.53945 553. RY (17) C 9 0.00000 7.88446 554. RY (18) C 9 0.00000 6.59221 555. RY (19) C 9 0.00000 7.47881 556. RY (20) C 9 0.00000 7.19580 557. RY (21) C 9 0.00000 7.34892 558. RY (22) C 9 0.00000 7.15153 559. RY (23) C 9 0.00000 6.93921 560. RY (24) C 9 0.00000 7.08981 561. RY (25) C 9 0.00000 6.20188 562. RY (26) C 9 0.00000 4.60586 563. RY (27) C 9 0.00000 4.80483 564. RY (28) C 9 0.00000 4.95696 565. RY (29) C 9 0.00000 5.34977 566. RY (30) C 9 0.00000 4.40816 567. RY (31) C 9 0.00000 4.11548 568. RY (32) C 9 0.00000 3.77890 569. RY (33) C 9 0.00000 5.42970 570. RY (34) C 9 0.00000 5.63718 571. RY (35) C 9 0.00000 4.44874 572. RY (36) C 9 0.00000 3.89770 573. RY (37) C 9 0.00000 4.44312 574. RY (38) C 9 0.00000 5.67281 575. RY (39) C 9 0.00000 96.78144 576. RY (40) C 9 0.00000 8.03769 577. RY (41) C 9 0.00000 6.78864 578. RY (42) C 9 0.00000 7.93229 579. RY (43) C 9 0.00000 20.56692 580. RY (44) C 9 0.00000 6.79314 581. RY (45) C 9 0.00000 7.31051 582. RY (46) C 9 0.00000 10.25494 583. RY (47) C 9 0.00000 16.49752 584. RY (48) C 9 0.00000 8.54392 585. RY (49) C 9 0.00000 7.82031 586. RY (50) C 9 0.00000 7.80736 587. RY (51) C 9 0.00000 7.54768 588. RY (52) C 9 0.00000 8.98400 589. RY ( 1) C 10 0.00189 1.90579 590. RY ( 2) C 10 0.00153 1.74992 591. RY ( 3) C 10 0.00125 1.60179 592. RY ( 4) C 10 0.00064 2.52195 593. RY ( 5) C 10 0.00037 2.49866 594. RY ( 6) C 10 0.00024 4.91254 595. RY ( 7) C 10 0.00014 2.18638 596. RY ( 8) C 10 0.00011 2.91781 597. RY ( 9) C 10 0.00007 3.38142 598. RY (10) C 10 0.00005 3.45850 599. RY (11) C 10 0.00003 1.90735 600. RY (12) C 10 0.00002 2.72677 601. RY (13) C 10 0.00001 4.06078 602. RY (14) C 10 0.00001 5.00176 603. RY (15) C 10 0.00001 5.81693 604. RY (16) C 10 0.00000 7.67665 605. RY (17) C 10 0.00000 9.56827 606. RY (18) C 10 0.00000 9.64814 607. RY (19) C 10 0.00000 6.55907 608. RY (20) C 10 0.00000 6.60268 609. RY (21) C 10 0.00000 7.37406 610. RY (22) C 10 0.00000 6.46552 611. RY (23) C 10 0.00000 6.65156 612. RY (24) C 10 0.00000 6.43781 613. RY (25) C 10 0.00000 4.48826 614. RY (26) C 10 0.00000 6.00275 615. RY (27) C 10 0.00000 6.31343 616. RY (28) C 10 0.00000 5.46848 617. RY (29) C 10 0.00000 5.33908 618. RY (30) C 10 0.00000 4.62160 619. RY (31) C 10 0.00000 4.50623 620. RY (32) C 10 0.00000 5.22598 621. RY (33) C 10 0.00000 3.92139 622. RY (34) C 10 0.00000 3.37331 623. RY (35) C 10 0.00000 4.45974 624. RY (36) C 10 0.00000 3.96285 625. RY (37) C 10 0.00000 5.78867 626. RY (38) C 10 0.00000 4.14486 627. RY (39) C 10 0.00001 3.65429 628. RY (40) C 10 0.00000 108.14945 629. RY (41) C 10 0.00000 7.02014 630. RY (42) C 10 0.00000 7.45693 631. RY (43) C 10 0.00000 12.33924 632. RY (44) C 10 0.00000 10.57997 633. RY (45) C 10 0.00000 11.71462 634. RY (46) C 10 0.00000 7.41909 635. RY (47) C 10 0.00000 10.87554 636. RY (48) C 10 0.00000 7.18149 637. RY (49) C 10 0.00000 6.48339 638. RY (50) C 10 0.00000 8.08194 639. RY (51) C 10 0.00000 6.54968 640. RY (52) C 10 0.00000 6.91866 786. RY ( 1) H 16 0.00037 2.02058 787. RY ( 2) H 16 0.00027 2.88884 788. RY ( 3) H 16 0.00019 3.02162 789. RY ( 4) H 16 0.00007 2.64113 790. RY ( 5) H 16 0.00006 3.24980 791. RY ( 6) H 16 0.00002 3.89055 792. RY ( 7) H 16 0.00001 6.42418 793. RY ( 8) H 16 0.00000 6.21845 794. RY ( 9) H 16 0.00000 5.19058 795. RY (10) H 16 0.00000 8.09581 796. RY (11) H 16 0.00000 8.09557 797. RY (12) H 16 0.00000 7.56526 798. RY (13) H 16 0.00000 8.64082 799. RY (14) H 16 0.00000 7.10034 800. RY (15) H 16 0.00000 7.14284 801. RY (16) H 16 0.00000 7.55195 802. RY (17) H 16 0.00000 5.82282 803. RY (18) H 16 0.00000 6.72998 804. RY (19) H 16 0.00000 6.32204 805. RY (20) H 16 0.00000 7.11781 806. RY (21) H 16 0.00000 4.44266 807. RY (22) H 16 0.00000 4.42062 808. RY (23) H 16 0.00000 8.74441 809. RY (24) H 16 0.00000 9.17785 810. RY (25) H 16 0.00000 8.02803 811. RY (26) H 16 0.00000 9.29194 812. RY (27) H 16 0.00000 9.28428 813. RY (28) H 16 0.00000 7.74039 814. RY (29) H 16 0.00000 7.38683 815. RY ( 1) H 17 0.00037 1.54755 816. RY ( 2) H 17 0.00026 3.24987 817. RY ( 3) H 17 0.00018 3.25138 818. RY ( 4) H 17 0.00008 2.87962 819. RY ( 5) H 17 0.00003 3.82614 820. RY ( 6) H 17 0.00001 3.64432 821. RY ( 7) H 17 0.00001 5.37497 822. RY ( 8) H 17 0.00001 5.43276 823. RY ( 9) H 17 0.00000 6.11626 824. RY (10) H 17 0.00000 5.43681 825. RY (11) H 17 0.00000 7.84210 826. RY (12) H 17 0.00000 7.95830 827. RY (13) H 17 0.00000 7.52618 828. RY (14) H 17 0.00000 7.27131 829. RY (15) H 17 0.00000 7.07971 830. RY (16) H 17 0.00000 7.12471 831. RY (17) H 17 0.00000 8.46634 832. RY (18) H 17 0.00000 5.80382 833. RY (19) H 17 0.00000 5.55465 834. RY (20) H 17 0.00000 7.78175 835. RY (21) H 17 0.00000 5.70018 836. RY (22) H 17 0.00000 4.22407 837. RY (23) H 17 0.00000 9.28206 838. RY (24) H 17 0.00000 8.24692 839. RY (25) H 17 0.00000 9.51083 840. RY (26) H 17 0.00000 7.48839 841. RY (27) H 17 0.00000 9.26574 842. RY (28) H 17 0.00000 7.72421 843. RY (29) H 17 0.00000 8.91097 844. RY ( 1) H 18 0.00034 2.16039 845. RY ( 2) H 18 0.00025 2.69107 846. RY ( 3) H 18 0.00017 3.50022 847. RY ( 4) H 18 0.00008 2.67355 848. RY ( 5) H 18 0.00006 3.07226 849. RY ( 6) H 18 0.00001 5.39237 850. RY ( 7) H 18 0.00001 4.42195 851. RY ( 8) H 18 0.00000 6.12059 852. RY ( 9) H 18 0.00000 5.89300 853. RY (10) H 18 0.00000 5.01073 854. RY (11) H 18 0.00000 7.66192 855. RY (12) H 18 0.00000 7.43860 856. RY (13) H 18 0.00000 7.71421 857. RY (14) H 18 0.00000 8.10059 858. RY (15) H 18 0.00000 7.13184 859. RY (16) H 18 0.00000 7.65381 860. RY (17) H 18 0.00000 5.87671 861. RY (18) H 18 0.00000 10.26067 862. RY (19) H 18 0.00000 4.76096 863. RY (20) H 18 0.00000 4.28549 864. RY (21) H 18 0.00000 8.47854 865. RY (22) H 18 0.00000 3.85334 866. RY (23) H 18 0.00000 9.32598 867. RY (24) H 18 0.00000 8.14362 868. RY (25) H 18 0.00000 7.79849 869. RY (26) H 18 0.00000 8.88648 870. RY (27) H 18 0.00000 8.81799 871. RY (28) H 18 0.00000 8.80594 872. RY (29) H 18 0.00000 8.01511 873. RY ( 1) H 19 0.00035 2.04529 874. RY ( 2) H 19 0.00026 2.69602 875. RY ( 3) H 19 0.00017 3.50675 876. RY ( 4) H 19 0.00008 2.66860 877. RY ( 5) H 19 0.00007 3.10338 878. RY ( 6) H 19 0.00001 6.07574 879. RY ( 7) H 19 0.00001 3.85875 880. RY ( 8) H 19 0.00000 6.19242 881. RY ( 9) H 19 0.00000 6.16280 882. RY (10) H 19 0.00000 5.33241 883. RY (11) H 19 0.00000 7.09137 884. RY (12) H 19 0.00000 8.20580 885. RY (13) H 19 0.00000 7.52585 886. RY (14) H 19 0.00000 8.06108 887. RY (15) H 19 0.00000 7.35249 888. RY (16) H 19 0.00000 6.47426 889. RY (17) H 19 0.00000 6.60630 890. RY (18) H 19 0.00000 9.78486 891. RY (19) H 19 0.00000 4.66484 892. RY (20) H 19 0.00000 5.95801 893. RY (21) H 19 0.00000 6.83942 894. RY (22) H 19 0.00000 3.90029 895. RY (23) H 19 0.00000 8.41763 896. RY (24) H 19 0.00000 7.50328 897. RY (25) H 19 0.00000 9.78916 898. RY (26) H 19 0.00000 9.25628 899. RY (27) H 19 0.00000 8.71082 900. RY (28) H 19 0.00000 8.68276 901. RY (29) H 19 0.00000 7.50480 902. RY ( 1) H 20 0.00031 1.65154 903. RY ( 2) H 20 0.00026 3.20662 904. RY ( 3) H 20 0.00018 3.29167 905. RY ( 4) H 20 0.00008 2.84258 906. RY ( 5) H 20 0.00003 3.17708 907. RY ( 6) H 20 0.00002 3.97565 908. RY ( 7) H 20 0.00001 5.71843 909. RY ( 8) H 20 0.00000 5.50669 910. RY ( 9) H 20 0.00000 5.89694 911. RY (10) H 20 0.00000 5.64070 912. RY (11) H 20 0.00000 8.03207 913. RY (12) H 20 0.00000 7.78852 914. RY (13) H 20 0.00000 7.55821 915. RY (14) H 20 0.00000 7.05315 916. RY (15) H 20 0.00000 7.02785 917. RY (16) H 20 0.00000 7.26680 918. RY (17) H 20 0.00000 7.88013 919. RY (18) H 20 0.00000 5.79602 920. RY (19) H 20 0.00000 6.53727 921. RY (20) H 20 0.00000 8.35624 922. RY (21) H 20 0.00000 4.07589 923. RY (22) H 20 0.00000 4.64598 924. RY (23) H 20 0.00000 9.43882 925. RY (24) H 20 0.00000 8.93302 926. RY (25) H 20 0.00000 9.01922 927. RY (26) H 20 0.00000 8.04861 928. RY (27) H 20 0.00000 8.18559 929. RY (28) H 20 0.00000 7.59098 930. RY (29) H 20 0.00000 9.30819 ------------------------------- Total Lewis 16.39897 ( 92.5338%) Valence non-Lewis 1.28845 ( 7.2703%) Rydberg non-Lewis 0.03472 ( 0.1959%) ------------------------------- Total unit 2 17.72214 (100.0000%) Charge unit 2 -0.22214 Molecular unit 3 (S5Sc) ------ Lewis -------------------------------------- 11. CR ( 1) S 21 1.00000 -87.40091 12. CR ( 2) S 21 1.00000 -8.84295 13. CR ( 3) S 21 1.00000 -5.71357 14. CR ( 4) S 21 1.00000 -5.70706 15. CR ( 5) S 21 1.00000 -5.70532 16. CR ( 1) S 22 1.00000 -87.75133 17. CR ( 2) S 22 1.00000 -8.60871 18. CR ( 3) S 22 1.00000 -5.76725 19. CR ( 4) S 22 1.00000 -5.76128 20. CR ( 5) S 22 1.00000 -5.76714 21. CR ( 1) S 23 1.00000 -87.78174 22. CR ( 2) S 23 1.00000 -8.58741 23. CR ( 3) S 23 1.00000 -5.76794 24. CR ( 4) S 23 1.00000 -5.76688 25. CR ( 5) S 23 1.00000 -5.77507 26. CR ( 1) S 24 1.00000 -87.75991 27. CR ( 2) S 24 1.00000 -8.60151 28. CR ( 3) S 24 1.00000 -5.76779 29. CR ( 4) S 24 1.00000 -5.76431 30. CR ( 5) S 24 1.00000 -5.76553 31. CR ( 1) S 25 1.00000 -87.40200 32. CR ( 2) S 25 1.00000 -8.84232 33. CR ( 3) S 25 1.00000 -5.71357 34. CR ( 4) S 25 1.00000 -5.70710 35. CR ( 5) S 25 1.00000 -5.70605 36. CR ( 1)Sc 26 1.00000 -42.90610 37. CR ( 2)Sc 26 1.00000 -135.68478 38. CR ( 3)Sc 26 0.99999 -2.06359 39. CR ( 4)Sc 26 1.00000 -14.34303 40. CR ( 5)Sc 26 0.99993 -1.18502 88(r),87(r) 41. CR ( 6)Sc 26 1.00000 -14.34267 42. CR ( 7)Sc 26 0.99992 -1.18581 43. CR ( 8)Sc 26 1.00000 -14.34316 44. CR ( 9)Sc 26 0.99993 -1.18446 47. LP ( 1) S 21 0.97158 -0.25152 1236(v),89(v),1238(v) 113(g),118(v),994(v) 1237(v),112(g),88(r),87(r) 94(r),119(r) 48. LP ( 1) S 22 0.99495 -0.37809 112(v),89(r),100(r) 49. LP ( 2) S 22 0.94064 -0.11430 115(v),1053(v),89(r),931(v) 118(r),997(g),1239(r) 1054(v),100(r),88(r),98(r) 50. LP ( 1) S 23 0.99748 -0.38462 51. LP ( 2) S 23 0.94438 -0.13103 116(v),111(v),992(v) 1114(v),1115(v),993(v) 52. LP ( 1) S 24 0.99459 -0.37948 117(v),89(r),87(r) 53. LP ( 2) S 24 0.93991 -0.11355 114(v),89(r),1053(v) 1175(v),113(r),1239(r) 1054(v),87(r),100(r),92(r) 96(r),88(r) 54. LP ( 1) S 25 0.97241 -0.25275 1236(v),1238(v),89(v) 113(v),118(g),1116(v) 117(g),1237(v),87(r),119(r) 88(r),94(r) 75. BD ( 1) S 21- S 22 0.98745 -0.35907 89(v),1236(v),1245(v) 1242(v),114(g),1055(v) 1243(v),1059(v),539(r) 88(r),278(r),333(r),331(r) 540(r),382(r),590(r),336(r) 123(r) 76. BD ( 1) S 21-Sc 26 0.98996 -0.28035 118(g),994(v),113(g) 1236(g),383(r),88(r),120(r) 437(r),333(r),105(r),125(r) 384(r) 77. BD ( 2) S 21-Sc 26 0.94401 -0.08751 114(v),118(g),992(v) 1237(g),111(g),993(v) 113(g),117(g),120(r),383(r) 119(r),87(r),125(r),104(r) 78. BD ( 1) S 22- S 23 0.99484 -0.38631 932(v),1117(v),115(g),89(r) 383(r),539(r) 79. BD ( 1) S 23- S 24 0.99479 -0.38615 1176(v),995(v),114(g),89(r) 487(r),383(r) 80. BD ( 1) S 24- S 25 0.98698 -0.35849 89(v),1236(v),1244(v) 115(g),1242(v),1055(v) 1243(v),487(r),87(r),488(r) 333(r),122(r),337(r),175(r) 330(r) 81. BD ( 1) S 25-Sc 26 0.99031 -0.28100 113(g),1116(v),1236(g) 383(r),87(r),119(r),593(r) 384(r),281(r),110(r),333(r) 173(r) 82. BD ( 2) S 25-Sc 26 0.94263 -0.08758 115(v),113(g),1114(v) 1237(g),116(g),1115(v) 112(g),118(g),119(r),120(r) 383(r),88(r),99(r),280(r) ------ non-Lewis ---------------------------------- 89. LV ( 1)Sc 26 0.14187 0.17107 90. LV ( 2)Sc 26 0.11443 0.36716 111. BD*( 1) S 21- S 22 0.02955 0.20376 112. BD*( 1) S 21-Sc 26 0.05449 0.26639 113. BD*( 2) S 21-Sc 26 0.09700 0.27522 114. BD*( 1) S 22- S 23 0.06882 0.17391 115. BD*( 1) S 23- S 24 0.06992 0.17273 116. BD*( 1) S 24- S 25 0.02880 0.20171 117. BD*( 1) S 25-Sc 26 0.05468 0.26597 118. BD*( 2) S 25-Sc 26 0.09712 0.27557 931. RY ( 1) S 21 0.00324 0.84531 932. RY ( 2) S 21 0.00111 1.29007 933. RY ( 3) S 21 0.00080 1.04378 934. RY ( 4) S 21 0.00054 1.81186 935. RY ( 5) S 21 0.00030 1.54420 936. RY ( 6) S 21 0.00019 1.98319 937. RY ( 7) S 21 0.00012 1.80445 938. RY ( 8) S 21 0.00009 1.71310 939. RY ( 9) S 21 0.00005 2.63017 940. RY (10) S 21 0.00003 1.44623 941. RY (11) S 21 0.00002 2.66232 942. RY (12) S 21 0.00002 1.60615 943. RY (13) S 21 0.00001 2.11189 944. RY (14) S 21 0.00001 2.16627 945. RY (15) S 21 0.00001 2.15996 946. RY (16) S 21 0.00001 2.17880 947. RY (17) S 21 0.00000 1.92662 948. RY (18) S 21 0.00000 4.96155 949. RY (19) S 21 0.00000 9.91241 950. RY (20) S 21 0.00000 7.12001 951. RY (21) S 21 0.00000 4.98481 952. RY (22) S 21 0.00000 4.36668 953. RY (23) S 21 0.00000 6.12375 954. RY (24) S 21 0.00000 3.98088 955. RY (25) S 21 0.00000 5.15248 956. RY (26) S 21 0.00000 5.21724 957. RY (27) S 21 0.00000 3.82403 958. RY (28) S 21 0.00000 4.35684 959. RY (29) S 21 0.00000 4.79088 960. RY (30) S 21 0.00000 4.38755 961. RY (31) S 21 0.00000 4.72009 962. RY (32) S 21 0.00000 4.66561 963. RY (33) S 21 0.00000 4.84013 964. RY (34) S 21 0.00000 4.35368 965. RY (35) S 21 0.00000 4.12959 966. RY (36) S 21 0.00000 2.83631 967. RY (37) S 21 0.00000 4.20618 968. RY (38) S 21 0.00000 4.37261 969. RY (39) S 21 0.00000 4.96103 970. RY (40) S 21 0.00000 4.29597 971. RY (41) S 21 0.00000 4.55880 972. RY (42) S 21 0.00000 3.63075 973. RY (43) S 21 0.00000 3.58934 974. RY (44) S 21 0.00000 4.53177 975. RY (45) S 21 0.00000 3.98672 976. RY (46) S 21 0.00000 3.45519 977. RY (47) S 21 0.00000 3.12396 978. RY (48) S 21 0.00000 3.55896 979. RY (49) S 21 0.00000 95.97565 980. RY (50) S 21 0.00000 283.76472 981. RY (51) S 21 0.00000 103.37075 982. RY (52) S 21 0.00000 58.41452 983. RY (53) S 21 0.00000 10.71439 984. RY (54) S 21 0.00000 16.33909 985. RY (55) S 21 0.00000 14.16871 986. RY (56) S 21 0.00000 18.16499 987. RY (57) S 21 0.00000 20.09609 988. RY (58) S 21 0.00000 6.57325 989. RY (59) S 21 0.00000 8.25659 990. RY (60) S 21 0.00000 9.06641 991. RY (61) S 21 0.00000 5.26409 992. RY ( 1) S 22 0.00888 0.75054 993. RY ( 2) S 22 0.00489 0.74654 994. RY ( 3) S 22 0.00430 0.62427 995. RY ( 4) S 22 0.00141 0.82989 996. RY ( 5) S 22 0.00030 1.89036 997. RY ( 6) S 22 0.00027 1.55973 998. RY ( 7) S 22 0.00025 1.06028 999. RY ( 8) S 22 0.00016 1.56779 1000. RY ( 9) S 22 0.00008 1.64048 1001. RY (10) S 22 0.00004 1.74388 1002. RY (11) S 22 0.00002 2.08550 1003. RY (12) S 22 0.00001 3.37438 1004. RY (13) S 22 0.00001 1.59819 1005. RY (14) S 22 0.00000 4.88026 1006. RY (15) S 22 0.00000 6.95701 1007. RY (16) S 22 0.00000 4.33933 1008. RY (17) S 22 0.00000 4.52577 1009. RY (18) S 22 0.00000 7.66908 1010. RY (19) S 22 0.00000 8.38497 1011. RY (20) S 22 0.00000 4.02135 1012. RY (21) S 22 0.00000 5.73023 1013. RY (22) S 22 0.00000 5.04141 1014. RY (23) S 22 0.00000 4.13660 1015. RY (24) S 22 0.00000 3.98643 1016. RY (25) S 22 0.00000 4.58307 1017. RY (26) S 22 0.00000 4.44094 1018. RY (27) S 22 0.00000 4.73569 1019. RY (28) S 22 0.00000 4.82099 1020. RY (29) S 22 0.00000 7.10368 1021. RY (30) S 22 0.00000 4.24048 1022. RY (31) S 22 0.00000 3.74841 1023. RY (32) S 22 0.00000 4.07827 1024. RY (33) S 22 0.00000 4.42280 1025. RY (34) S 22 0.00000 3.32226 1026. RY (35) S 22 0.00000 5.22888 1027. RY (36) S 22 0.00000 4.55618 1028. RY (37) S 22 0.00000 3.33194 1029. RY (38) S 22 0.00000 3.84964 1030. RY (39) S 22 0.00000 3.30730 1031. RY (40) S 22 0.00000 4.60804 1032. RY (41) S 22 0.00000 3.07803 1033. RY (42) S 22 0.00000 5.89324 1034. RY (43) S 22 0.00000 3.91943 1035. RY (44) S 22 0.00000 3.12490 1036. RY (45) S 22 0.00000 3.80104 1037. RY (46) S 22 0.00000 2.77407 1038. RY (47) S 22 0.00000 2.52897 1039. RY (48) S 22 0.00000 2.79795 1040. RY (49) S 22 0.00001 2.02297 1041. RY (50) S 22 0.00000 74.71652 1042. RY (51) S 22 0.00000 323.54358 1043. RY (52) S 22 0.00000 102.18814 1044. RY (53) S 22 0.00000 17.00651 1045. RY (54) S 22 0.00000 23.75235 1046. RY (55) S 22 0.00000 13.58931 1047. RY (56) S 22 0.00000 22.84508 1048. RY (57) S 22 0.00000 13.60397 1049. RY (58) S 22 0.00000 21.67418 1050. RY (59) S 22 0.00000 12.36486 1051. RY (60) S 22 0.00000 5.70208 1052. RY (61) S 22 0.00000 7.27359 1053. RY ( 1) S 23 0.01017 0.81090 1054. RY ( 2) S 23 0.00618 0.74637 1055. RY ( 3) S 23 0.00235 0.84936 1056. RY ( 4) S 23 0.00169 0.93172 1057. RY ( 5) S 23 0.00034 0.65004 1058. RY ( 6) S 23 0.00023 1.52248 1059. RY ( 7) S 23 0.00018 1.77509 1060. RY ( 8) S 23 0.00017 1.37907 1061. RY ( 9) S 23 0.00005 1.75190 1062. RY (10) S 23 0.00003 2.13273 1063. RY (11) S 23 0.00002 1.90644 1064. RY (12) S 23 0.00001 2.23896 1065. RY (13) S 23 0.00001 1.32944 1066. RY (14) S 23 0.00000 9.71087 1067. RY (15) S 23 0.00000 12.64644 1068. RY (16) S 23 0.00000 7.21096 1069. RY (17) S 23 0.00000 8.17496 1070. RY (18) S 23 0.00000 5.35433 1071. RY (19) S 23 0.00000 4.61289 1072. RY (20) S 23 0.00000 4.14988 1073. RY (21) S 23 0.00000 3.73961 1074. RY (22) S 23 0.00000 4.33122 1075. RY (23) S 23 0.00000 4.54385 1076. RY (24) S 23 0.00000 3.65331 1077. RY (25) S 23 0.00000 5.08447 1078. RY (26) S 23 0.00000 4.14632 1079. RY (27) S 23 0.00000 5.36516 1080. RY (28) S 23 0.00000 3.34602 1081. RY (29) S 23 0.00000 5.39322 1082. RY (30) S 23 0.00000 4.99771 1083. RY (31) S 23 0.00000 4.79650 1084. RY (32) S 23 0.00000 5.89179 1085. RY (33) S 23 0.00000 3.84347 1086. RY (34) S 23 0.00000 5.69293 1087. RY (35) S 23 0.00000 4.44484 1088. RY (36) S 23 0.00000 3.23871 1089. RY (37) S 23 0.00000 3.96642 1090. RY (38) S 23 0.00000 2.89214 1091. RY (39) S 23 0.00000 2.38415 1092. RY (40) S 23 0.00000 3.54253 1093. RY (41) S 23 0.00000 6.26256 1094. RY (42) S 23 0.00000 5.93698 1095. RY (43) S 23 0.00000 2.38276 1096. RY (44) S 23 0.00000 3.99074 1097. RY (45) S 23 0.00000 3.37100 1098. RY (46) S 23 0.00000 4.06204 1099. RY (47) S 23 0.00000 2.10085 1100. RY (48) S 23 0.00000 2.15497 1101. RY (49) S 23 0.00000 68.96959 1102. RY (50) S 23 0.00000 372.07589 1103. RY (51) S 23 0.00000 23.22219 1104. RY (52) S 23 0.00000 32.00875 1105. RY (53) S 23 0.00000 39.72311 1106. RY (54) S 23 0.00000 14.21921 1107. RY (55) S 23 0.00000 10.76186 1108. RY (56) S 23 0.00000 13.85224 1109. RY (57) S 23 0.00000 18.82155 1110. RY (58) S 23 0.00000 6.30527 1111. RY (59) S 23 0.00000 9.55212 1112. RY (60) S 23 0.00000 11.70688 1113. RY (61) S 23 0.00000 9.69902 1114. RY ( 1) S 24 0.00895 0.74728 1115. RY ( 2) S 24 0.00485 0.76623 1116. RY ( 3) S 24 0.00429 0.61202 1117. RY ( 4) S 24 0.00137 0.85120 1118. RY ( 5) S 24 0.00029 2.41520 1119. RY ( 6) S 24 0.00028 1.00726 1120. RY ( 7) S 24 0.00024 1.09795 1121. RY ( 8) S 24 0.00015 1.67220 1122. RY ( 9) S 24 0.00008 1.70849 1123. RY (10) S 24 0.00004 1.72286 1124. RY (11) S 24 0.00002 1.82375 1125. RY (12) S 24 0.00001 2.77043 1126. RY (13) S 24 0.00001 1.73459 1127. RY (14) S 24 0.00001 3.07693 1128. RY (15) S 24 0.00000 2.58399 1129. RY (16) S 24 0.00000 2.43958 1130. RY (17) S 24 0.00000 4.91765 1131. RY (18) S 24 0.00000 4.96926 1132. RY (19) S 24 0.00000 5.54381 1133. RY (20) S 24 0.00000 5.26190 1134. RY (21) S 24 0.00000 8.02865 1135. RY (22) S 24 0.00000 6.66177 1136. RY (23) S 24 0.00000 4.29676 1137. RY (24) S 24 0.00000 3.85340 1138. RY (25) S 24 0.00000 4.04626 1139. RY (26) S 24 0.00000 5.88310 1140. RY (27) S 24 0.00000 5.48632 1141. RY (28) S 24 0.00000 6.90022 1142. RY (29) S 24 0.00000 5.27518 1143. RY (30) S 24 0.00000 3.69489 1144. RY (31) S 24 0.00000 5.59702 1145. RY (32) S 24 0.00000 4.15109 1146. RY (33) S 24 0.00000 4.00171 1147. RY (34) S 24 0.00000 3.84565 1148. RY (35) S 24 0.00000 5.15198 1149. RY (36) S 24 0.00000 3.18054 1150. RY (37) S 24 0.00000 3.99544 1151. RY (38) S 24 0.00000 4.91265 1152. RY (39) S 24 0.00000 3.06328 1153. RY (40) S 24 0.00000 3.98976 1154. RY (41) S 24 0.00000 4.11186 1155. RY (42) S 24 0.00000 3.15902 1156. RY (43) S 24 0.00000 4.09010 1157. RY (44) S 24 0.00000 5.85822 1158. RY (45) S 24 0.00000 3.81013 1159. RY (46) S 24 0.00000 2.90381 1160. RY (47) S 24 0.00000 3.53156 1161. RY (48) S 24 0.00000 3.09940 1162. RY (49) S 24 0.00000 80.09245 1163. RY (50) S 24 0.00000 347.40794 1164. RY (51) S 24 0.00000 76.89704 1165. RY (52) S 24 0.00000 27.97160 1166. RY (53) S 24 0.00000 12.81555 1167. RY (54) S 24 0.00000 10.06168 1168. RY (55) S 24 0.00000 13.30817 1169. RY (56) S 24 0.00000 18.41374 1170. RY (57) S 24 0.00000 15.59278 1171. RY (58) S 24 0.00000 10.59347 1172. RY (59) S 24 0.00000 13.36415 1173. RY (60) S 24 0.00000 9.15152 1174. RY (61) S 24 0.00000 7.74284 1175. RY ( 1) S 25 0.00329 0.84549 1176. RY ( 2) S 25 0.00111 1.26158 1177. RY ( 3) S 25 0.00073 1.05185 1178. RY ( 4) S 25 0.00053 1.68715 1179. RY ( 5) S 25 0.00030 1.49501 1180. RY ( 6) S 25 0.00019 1.95292 1181. RY ( 7) S 25 0.00012 1.95152 1182. RY ( 8) S 25 0.00010 1.55493 1183. RY ( 9) S 25 0.00005 2.58813 1184. RY (10) S 25 0.00003 1.47110 1185. RY (11) S 25 0.00002 2.68921 1186. RY (12) S 25 0.00002 1.54157 1187. RY (13) S 25 0.00001 2.10015 1188. RY (14) S 25 0.00001 1.57210 1189. RY (15) S 25 0.00001 2.10196 1190. RY (16) S 25 0.00001 2.35412 1191. RY (17) S 25 0.00000 2.45191 1192. RY (18) S 25 0.00000 1.90599 1193. RY (19) S 25 0.00000 5.11333 1194. RY (20) S 25 0.00000 7.68854 1195. RY (21) S 25 0.00000 5.18732 1196. RY (22) S 25 0.00000 9.08960 1197. RY (23) S 25 0.00000 4.99473 1198. RY (24) S 25 0.00000 4.42213 1199. RY (25) S 25 0.00000 5.04539 1200. RY (26) S 25 0.00000 4.31239 1201. RY (27) S 25 0.00000 5.23886 1202. RY (28) S 25 0.00000 3.93084 1203. RY (29) S 25 0.00000 4.16208 1204. RY (30) S 25 0.00000 4.42070 1205. RY (31) S 25 0.00000 5.44088 1206. RY (32) S 25 0.00000 3.97436 1207. RY (33) S 25 0.00000 6.18819 1208. RY (34) S 25 0.00000 3.57238 1209. RY (35) S 25 0.00000 4.53890 1210. RY (36) S 25 0.00000 4.18589 1211. RY (37) S 25 0.00000 3.22456 1212. RY (38) S 25 0.00000 4.45670 1213. RY (39) S 25 0.00000 4.51359 1214. RY (40) S 25 0.00000 5.11696 1215. RY (41) S 25 0.00000 3.82720 1216. RY (42) S 25 0.00000 3.83869 1217. RY (43) S 25 0.00000 4.33759 1218. RY (44) S 25 0.00000 3.91293 1219. RY (45) S 25 0.00000 4.72437 1220. RY (46) S 25 0.00000 3.67687 1221. RY (47) S 25 0.00000 3.77087 1222. RY (48) S 25 0.00000 3.74880 1223. RY (49) S 25 0.00000 72.72263 1224. RY (50) S 25 0.00000 338.10246 1225. RY (51) S 25 0.00000 82.30067 1226. RY (52) S 25 0.00000 48.31443 1227. RY (53) S 25 0.00000 11.48712 1228. RY (54) S 25 0.00000 10.62005 1229. RY (55) S 25 0.00000 20.13197 1230. RY (56) S 25 0.00000 12.35244 1231. RY (57) S 25 0.00000 22.54112 1232. RY (58) S 25 0.00000 4.99613 1233. RY (59) S 25 0.00000 13.67968 1234. RY (60) S 25 0.00000 6.53393 1235. RY (61) S 25 0.00000 6.88390 1236. RY ( 1)Sc 26 0.02873 0.41658 1237. RY ( 2)Sc 26 0.02735 0.50308 1238. RY ( 3)Sc 26 0.02126 0.41943 1239. RY ( 4)Sc 26 0.01676 0.44182 1240. RY ( 5)Sc 26 0.00542 0.45393 1241. RY ( 6)Sc 26 0.00482 1.25427 1242. RY ( 7)Sc 26 0.00349 1.21528 1243. RY ( 8)Sc 26 0.00201 1.77593 1244. RY ( 9)Sc 26 0.00116 1.88968 1245. RY (10)Sc 26 0.00113 1.90267 1246. RY (11)Sc 26 0.00067 1.60026 1247. RY (12)Sc 26 0.00045 1.86330 1248. RY (13)Sc 26 0.00034 1.97986 1249. RY (14)Sc 26 0.00026 1.75638 1250. RY (15)Sc 26 0.00025 2.33058 1251. RY (16)Sc 26 0.00021 2.34158 1252. RY (17)Sc 26 0.00021 2.34233 1253. RY (18)Sc 26 0.00018 2.32815 1254. RY (19)Sc 26 0.00017 2.47948 1255. RY (20)Sc 26 0.00016 2.14294 1256. RY (21)Sc 26 0.00013 1.58099 1257. RY (22)Sc 26 0.00011 3.52691 1258. RY (23)Sc 26 0.00008 2.18560 1259. RY (24)Sc 26 0.00007 3.20516 1260. RY (25)Sc 26 0.00006 2.06716 1261. RY (26)Sc 26 0.00005 2.02224 1262. RY (27)Sc 26 0.00004 1.89741 1263. RY (28)Sc 26 0.00004 1.82772 1264. RY (29)Sc 26 0.00003 2.27998 1265. RY (30)Sc 26 0.00002 2.22100 1266. RY (31)Sc 26 0.00002 2.50563 1267. RY (32)Sc 26 0.00001 2.69969 1268. RY (33)Sc 26 0.00001 2.74672 1269. RY (34)Sc 26 0.00000 2.73124 1270. RY (35)Sc 26 0.00000 2.52609 1271. RY (36)Sc 26 0.00001 2.52703 1272. RY (37)Sc 26 0.00000 3.44375 1273. RY (38)Sc 26 0.00000 3.96301 1274. RY (39)Sc 26 0.00000 3.71204 1275. RY (40)Sc 26 0.00000 2.90701 1276. RY (41)Sc 26 0.00000 3.18513 1277. RY (42)Sc 26 0.00000 2.88313 1278. RY (43)Sc 26 0.00000 2.37734 1279. RY (44)Sc 26 0.00000 2.91298 1280. RY (45)Sc 26 0.00000 213.06353 1281. RY (46)Sc 26 0.00000 288.35658 1282. RY (47)Sc 26 0.00000 20.40855 1283. RY (48)Sc 26 0.00000 19.10717 1284. RY (49)Sc 26 0.00000 4.23580 1285. RY (50)Sc 26 0.00000 8.72207 1286. RY (51)Sc 26 0.00000 15.08738 1287. RY (52)Sc 26 0.00000 6.80210 1288. RY (53)Sc 26 0.00000 4.95258 1289. RY (54)Sc 26 0.00000 3.60533 1290. RY (55)Sc 26 0.00000 3.99736 1291. RY (56)Sc 26 0.00000 3.46268 1292. RY (57)Sc 26 0.00000 4.12854 1293. RY (58)Sc 26 0.00000 3.21473 1294. RY (59)Sc 26 0.00000 4.89307 1295. RY (60)Sc 26 0.00000 3.67994 1296. RY (61)Sc 26 0.00000 3.12888 1297. RY (62)Sc 26 0.00000 3.05158 1298. RY (63)Sc 26 0.00000 6.86651 1299. RY (64)Sc 26 0.00000 3.85065 1300. RY (65)Sc 26 0.00000 3.72944 1301. RY (66)Sc 26 0.00000 3.08095 1302. RY (67)Sc 26 0.00000 3.78873 1303. RY (68)Sc 26 0.00000 3.44577 1304. RY (69)Sc 26 0.00000 3.30448 1305. RY (70)Sc 26 0.00000 2.93874 1306. RY (71)Sc 26 0.00000 3.36791 1307. RY (72)Sc 26 0.00000 3.20385 1308. RY (73)Sc 26 0.00000 3.18309 1309. RY (74)Sc 26 0.00000 3.73991 1310. RY (75)Sc 26 0.00000 2.91154 1311. RY (76)Sc 26 0.00000 3.37655 1312. RY (77)Sc 26 0.00000 3.39698 1313. RY (78)Sc 26 0.00000 3.65194 ------------------------------- Total Lewis 49.58666 ( 98.1236%) Valence non-Lewis 0.75669 ( 1.4974%) Rydberg non-Lewis 0.19157 ( 0.3791%) ------------------------------- Total unit 3 50.53491 (100.0000%) Charge unit 3 -0.03491 $CHOOSE ALPHA LONE 2 1 3 1 21 1 22 2 23 2 24 2 25 1 END BOND S 1 2 S 1 5 S 1 11 S 2 3 S 2 12 S 3 4 S 3 13 S 4 5 S 4 14 S 5 15 S 6 7 S 6 10 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 D 21 26 S 22 23 S 23 24 S 24 25 D 25 26 END 3C D 1 4 5 D 6 7 10 END END BETA LONE 2 1 3 1 21 1 22 2 23 2 24 2 25 1 END BOND S 1 2 S 1 5 S 1 11 S 2 3 S 2 12 S 3 4 S 3 13 S 4 5 S 4 14 S 5 15 S 6 7 S 6 10 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 D 21 26 S 22 23 S 23 24 S 24 25 D 25 26 END 3C D 1 4 5 D 6 7 10 END END $END Checkpoint NBOs sorted by occupancy: Alpha orbitals: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 1.00000 -87.40091 11. CR ( 1) S 21 2. 1.00000 -87.75133 16. CR ( 1) S 22 3. 1.00000 -87.78174 21. CR ( 1) S 23 4. 1.00000 -87.75991 26. CR ( 1) S 24 5. 1.00000 -87.40200 31. CR ( 1) S 25 6. 1.00000 -42.90610 36. CR ( 1)Sc 26 7. 1.00000 -135.68478 37. CR ( 2)Sc 26 8. 1.00000 -8.84295 12. CR ( 2) S 21 9. 1.00000 -5.71357 13. CR ( 3) S 21 10. 1.00000 -5.70706 14. CR ( 4) S 21 11. 1.00000 -5.70532 15. CR ( 5) S 21 12. 1.00000 -8.60871 17. CR ( 2) S 22 13. 1.00000 -8.58741 22. CR ( 2) S 23 14. 1.00000 -8.60151 27. CR ( 2) S 24 15. 1.00000 -8.84232 32. CR ( 2) S 25 16. 1.00000 -14.34303 39. CR ( 4)Sc 26 17. 1.00000 -14.34267 41. CR ( 6)Sc 26 18. 1.00000 -14.34316 43. CR ( 8)Sc 26 19. 1.00000 -5.76725 18. CR ( 3) S 22 20. 1.00000 -5.76128 19. CR ( 4) S 22 21. 1.00000 -5.76714 20. CR ( 5) S 22 22. 1.00000 -5.76794 23. CR ( 3) S 23 23. 1.00000 -5.76688 24. CR ( 4) S 23 24. 1.00000 -5.77507 25. CR ( 5) S 23 25. 1.00000 -5.76779 28. CR ( 3) S 24 26. 1.00000 -5.76431 29. CR ( 4) S 24 27. 1.00000 -5.76553 30. CR ( 5) S 24 28. 1.00000 -5.71357 33. CR ( 3) S 25 29. 1.00000 -5.70710 34. CR ( 4) S 25 30. 1.00000 -5.70605 35. CR ( 5) S 25 31. 0.99999 -2.06359 38. CR ( 3)Sc 26 32. 0.99999 -10.06894 1. CR ( 1) C 1 33. 0.99999 -10.07212 2. CR ( 1) C 2 34. 0.99999 -10.07107 3. CR ( 1) C 3 35. 0.99999 -10.06787 4. CR ( 1) C 4 36. 0.99999 -10.06014 5. CR ( 1) C 5 37. 0.99999 -10.07103 6. CR ( 1) C 6 38. 0.99999 -10.07611 7. CR ( 1) C 7 39. 0.99999 -10.07766 8. CR ( 1) C 8 40. 0.99999 -10.07791 9. CR ( 1) C 9 41. 0.99999 -10.07658 10. CR ( 1) C 10 42. 0.99993 -1.18502 40. CR ( 5)Sc 26 43. 0.99993 -1.18446 44. CR ( 9)Sc 26 44. 0.99992 -1.18581 42. CR ( 7)Sc 26 45. 0.99748 -0.38462 50. LP ( 1) S 23 46. 0.99495 -0.37809 48. LP ( 1) S 22 47. 0.99484 -0.38631 78. BD ( 1) S 22- S 23 48. 0.99479 -0.38615 79. BD ( 1) S 23- S 24 49. 0.99459 -0.37948 52. LP ( 1) S 24 50. 0.99031 -0.28100 81. BD ( 1) S 25-Sc 26 51. 0.98996 -0.28035 76. BD ( 1) S 21-Sc 26 52. 0.98745 -0.35907 75. BD ( 1) S 21- S 22 53. 0.98698 -0.35849 80. BD ( 1) S 24- S 25 54. 0.98407 -0.34285 63. BD ( 1) C 4- H 14 55. 0.98392 -0.33709 64. BD ( 1) C 5- H 15 56. 0.98376 -0.34474 57. BD ( 1) C 1- H 11 57. 0.98374 -0.34538 67. BD ( 1) C 6- H 16 58. 0.98360 -0.35446 59. BD ( 1) C 2- H 12 59. 0.98356 -0.35915 71. BD ( 1) C 8- H 18 60. 0.98344 -0.35345 61. BD ( 1) C 3- H 13 61. 0.98336 -0.35907 73. BD ( 1) C 9- H 19 62. 0.98270 -0.35197 69. BD ( 1) C 7- H 17 63. 0.98236 -0.35252 74. BD ( 1) C 10- H 20 64. 0.98047 -0.42413 55. BD ( 1) C 1- C 2 65. 0.98032 -0.42796 65. BD ( 1) C 6- C 7 66. 0.98026 -0.42333 60. BD ( 1) C 3- C 4 67. 0.98021 -0.41936 62. BD ( 1) C 4- C 5 68. 0.98008 -0.43003 68. BD ( 1) C 7- C 8 69. 0.98005 -0.42734 66. BD ( 1) C 6- C 10 70. 0.97991 -0.42957 72. BD ( 1) C 9- C 10 71. 0.97984 -0.41838 56. BD ( 1) C 1- C 5 72. 0.97879 -0.42835 70. BD ( 1) C 8- C 9 73. 0.97874 -0.42127 58. BD ( 1) C 2- C 3 74. 0.97241 -0.25275 54. LP ( 1) S 25 75. 0.97158 -0.25152 47. LP ( 1) S 21 76. 0.94823 -0.17850 83. 3C ( 1) C 1- C 4- C 5 77. 0.94711 -0.18620 84. 3C ( 1) C 6- C 7- C 10 78. 0.94438 -0.13103 51. LP ( 2) S 23 79. 0.94401 -0.08751 77. BD ( 2) S 21-Sc 26 80. 0.94263 -0.08758 82. BD ( 2) S 25-Sc 26 81. 0.94064 -0.11430 49. LP ( 2) S 22 82. 0.93991 -0.11355 53. LP ( 2) S 24 83. 0.63707 -0.00605 86. 3Cn( 1) C 6- C 7- C 10 84. 0.63631 0.00255 85. 3Cn( 1) C 1- C 4- C 5 85. 0.57616 -0.01128 46. LP ( 1) C 3 86. 0.57156 -0.01169 45. LP ( 1) C 2 87. 0.56792 -0.01720 88. LV ( 1) C 9 88. 0.56759 -0.01640 87. LV ( 1) C 8 89. 0.14187 0.17107 89. LV ( 1)Sc 26 90. 0.11443 0.36716 90. LV ( 2)Sc 26 91. 0.09712 0.27557 118. BD*( 2) S 25-Sc 26 92. 0.09700 0.27522 113. BD*( 2) S 21-Sc 26 93. 0.07924 0.18492 119. 3C*( 1) C 1- C 4- C 5 94. 0.07800 0.17402 120. 3C*( 1) C 6- C 7- C 10 95. 0.06992 0.17273 115. BD*( 1) S 23- S 24 96. 0.06882 0.17391 114. BD*( 1) S 22- S 23 97. 0.05468 0.26597 117. BD*( 1) S 25-Sc 26 98. 0.05449 0.26639 112. BD*( 1) S 21-Sc 26 99. 0.02955 0.20376 111. BD*( 1) S 21- S 22 100. 0.02880 0.20171 116. BD*( 1) S 24- S 25 101. 0.02873 0.41658 1236. RY ( 1)Sc 26 102. 0.02735 0.50308 1237. RY ( 2)Sc 26 103. 0.02126 0.41943 1238. RY ( 3)Sc 26 104. 0.01676 0.44182 1239. RY ( 4)Sc 26 105. 0.01017 0.81090 1053. RY ( 1) S 23 106. 0.00935 0.54430 100. BD*( 1) C 5- H 15 107. 0.00895 0.74728 1114. RY ( 1) S 24 108. 0.00888 0.75054 992. RY ( 1) S 22 109. 0.00869 0.60690 106. BD*( 1) C 8- C 9 110. 0.00858 0.60951 94. BD*( 1) C 2- C 3 111. 0.00784 0.61892 91. BD*( 1) C 1- C 2 112. 0.00774 0.51758 95. BD*( 1) C 2- H 12 113. 0.00769 0.51654 97. BD*( 1) C 3- H 13 114. 0.00768 0.62002 96. BD*( 1) C 3- C 4 115. 0.00767 0.61106 108. BD*( 1) C 9- C 10 116. 0.00765 0.52643 105. BD*( 1) C 7- H 17 117. 0.00762 0.51304 109. BD*( 1) C 9- H 19 118. 0.00760 0.51305 107. BD*( 1) C 8- H 18 119. 0.00749 0.61335 104. BD*( 1) C 7- C 8 120. 0.00748 0.52396 110. BD*( 1) C 10- H 20 121. 0.00747 0.53479 99. BD*( 1) C 4- H 14 122. 0.00732 0.62248 92. BD*( 1) C 1- C 5 123. 0.00727 0.53110 93. BD*( 1) C 1- H 11 124. 0.00727 0.62566 98. BD*( 1) C 4- C 5 125. 0.00702 0.52722 103. BD*( 1) C 6- H 16 126. 0.00685 0.61390 102. BD*( 1) C 6- C 10 127. 0.00685 0.61570 101. BD*( 1) C 6- C 7 128. 0.00618 0.74637 1054. RY ( 2) S 23 129. 0.00542 0.45393 1240. RY ( 5)Sc 26 130. 0.00489 0.74654 993. RY ( 2) S 22 131. 0.00485 0.76623 1115. RY ( 2) S 24 132. 0.00482 1.25427 1241. RY ( 6)Sc 26 133. 0.00430 0.62427 994. RY ( 3) S 22 134. 0.00429 0.61202 1116. RY ( 3) S 24 135. 0.00349 1.21528 1242. RY ( 7)Sc 26 136. 0.00329 0.84549 1175. RY ( 1) S 25 137. 0.00324 0.84531 931. RY ( 1) S 21 138. 0.00235 0.84936 1055. RY ( 3) S 23 139. 0.00206 1.85272 381. RY ( 1) C 6 140. 0.00201 1.77593 1243. RY ( 8)Sc 26 141. 0.00201 1.95862 329. RY ( 1) C 5 142. 0.00201 1.83737 121. RY ( 1) C 1 143. 0.00201 1.87027 277. RY ( 1) C 4 144. 0.00191 1.92626 433. RY ( 1) C 7 145. 0.00189 1.90579 589. RY ( 1) C 10 146. 0.00182 1.92622 485. RY ( 1) C 8 147. 0.00180 1.91771 537. RY ( 1) C 9 148. 0.00180 2.00049 225. RY ( 1) C 3 149. 0.00178 2.01932 173. RY ( 1) C 2 150. 0.00169 0.93172 1056. RY ( 4) S 23 151. 0.00153 1.74695 434. RY ( 2) C 7 152. 0.00153 1.85656 278. RY ( 2) C 4 153. 0.00153 1.74992 590. RY ( 2) C 10 154. 0.00150 1.93952 122. RY ( 2) C 1 155. 0.00148 1.62004 382. RY ( 2) C 6 156. 0.00146 1.59641 330. RY ( 2) C 5 157. 0.00141 0.82989 995. RY ( 4) S 22 158. 0.00140 1.70174 486. RY ( 2) C 8 159. 0.00137 0.85120 1117. RY ( 4) S 24 160. 0.00137 1.74097 226. RY ( 2) C 3 161. 0.00136 1.69978 538. RY ( 2) C 9 162. 0.00135 1.52244 123. RY ( 3) C 1 163. 0.00132 1.74519 174. RY ( 2) C 2 164. 0.00132 1.54602 279. RY ( 3) C 4 165. 0.00125 1.60415 435. RY ( 3) C 7 166. 0.00125 1.60179 591. RY ( 3) C 10 167. 0.00116 1.88968 1244. RY ( 9)Sc 26 168. 0.00113 1.90267 1245. RY (10)Sc 26 169. 0.00111 1.29007 932. RY ( 2) S 21 170. 0.00111 1.26158 1176. RY ( 2) S 25 171. 0.00094 1.44218 539. RY ( 3) C 9 172. 0.00091 1.38574 487. RY ( 3) C 8 173. 0.00088 1.60925 757. RY ( 1) H 15 174. 0.00087 1.31079 175. RY ( 3) C 2 175. 0.00085 1.30926 227. RY ( 3) C 3 176. 0.00084 1.42893 383. RY ( 3) C 6 177. 0.00080 1.04378 933. RY ( 3) S 21 178. 0.00073 1.05185 1177. RY ( 3) S 25 179. 0.00072 1.48334 331. RY ( 3) C 5 180. 0.00067 1.60026 1246. RY (11)Sc 26 181. 0.00064 2.52195 592. RY ( 4) C 10 182. 0.00061 2.44453 280. RY ( 4) C 4 183. 0.00059 2.51655 124. RY ( 4) C 1 184. 0.00059 2.51494 436. RY ( 4) C 7 185. 0.00054 1.81186 934. RY ( 4) S 21 186. 0.00053 1.94035 540. RY ( 4) C 9 187. 0.00053 1.68715 1178. RY ( 4) S 25 188. 0.00051 1.97793 488. RY ( 4) C 8 189. 0.00048 1.51125 728. RY ( 1) H 14 190. 0.00047 1.93242 384. RY ( 4) C 6 191. 0.00045 1.86330 1247. RY (12)Sc 26 192. 0.00040 2.80823 385. RY ( 5) C 6 193. 0.00040 2.68820 332. RY ( 4) C 5 194. 0.00037 2.97049 541. RY ( 5) C 9 195. 0.00037 1.54755 815. RY ( 1) H 17 196. 0.00037 2.44817 125. RY ( 5) C 1 197. 0.00037 2.49866 593. RY ( 5) C 10 198. 0.00037 2.03029 333. RY ( 5) C 5 199. 0.00037 2.02058 786. RY ( 1) H 16 200. 0.00036 2.94826 176. RY ( 4) C 2 201. 0.00036 3.00979 489. RY ( 5) C 8 202. 0.00035 1.75617 641. RY ( 1) H 11 203. 0.00035 2.54264 281. RY ( 5) C 4 204. 0.00035 2.04529 873. RY ( 1) H 19 205. 0.00035 2.97316 228. RY ( 4) C 3 206. 0.00035 2.64960 437. RY ( 5) C 7 207. 0.00034 1.97986 1248. RY (13)Sc 26 208. 0.00034 0.65004 1057. RY ( 5) S 23 209. 0.00034 2.16039 844. RY ( 1) H 18 210. 0.00032 2.28708 670. RY ( 1) H 12 211. 0.00032 2.32764 699. RY ( 1) H 13 212. 0.00031 1.65154 902. RY ( 1) H 20 213. 0.00030 1.54420 935. RY ( 5) S 21 214. 0.00030 1.89036 996. RY ( 5) S 22 215. 0.00030 1.49501 1179. RY ( 5) S 25 216. 0.00030 2.12587 177. RY ( 5) C 2 217. 0.00029 2.41520 1118. RY ( 5) S 24 218. 0.00028 2.30252 229. RY ( 5) C 3 219. 0.00028 1.00726 1119. RY ( 6) S 24 220. 0.00028 3.03163 758. 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RY (40) S 25 1251. 0.00000 3.82720 1215. RY (41) S 25 1252. 0.00000 3.83869 1216. RY (42) S 25 1253. 0.00000 4.33759 1217. RY (43) S 25 1254. 0.00000 3.91293 1218. RY (44) S 25 1255. 0.00000 4.72437 1219. RY (45) S 25 1256. 0.00000 3.67687 1220. RY (46) S 25 1257. 0.00000 3.77087 1221. RY (47) S 25 1258. 0.00000 3.74880 1222. RY (48) S 25 1259. 0.00000 72.72263 1223. RY (49) S 25 1260. 0.00000 338.10246 1224. RY (50) S 25 1261. 0.00000 82.30067 1225. RY (51) S 25 1262. 0.00000 48.31443 1226. RY (52) S 25 1263. 0.00000 11.48712 1227. RY (53) S 25 1264. 0.00000 10.62005 1228. RY (54) S 25 1265. 0.00000 20.13197 1229. RY (55) S 25 1266. 0.00000 12.35244 1230. RY (56) S 25 1267. 0.00000 22.54112 1231. RY (57) S 25 1268. 0.00000 4.99613 1232. RY (58) S 25 1269. 0.00000 13.67968 1233. RY (59) S 25 1270. 0.00000 6.53393 1234. RY (60) S 25 1271. 0.00000 6.88390 1235. RY (61) S 25 1272. 0.00000 3.44375 1272. RY (37)Sc 26 1273. 0.00000 3.96301 1273. RY (38)Sc 26 1274. 0.00000 3.71204 1274. RY (39)Sc 26 1275. 0.00000 2.90701 1275. RY (40)Sc 26 1276. 0.00000 3.18513 1276. RY (41)Sc 26 1277. 0.00000 2.88313 1277. RY (42)Sc 26 1278. 0.00000 2.37734 1278. RY (43)Sc 26 1279. 0.00000 2.91298 1279. RY (44)Sc 26 1280. 0.00000 213.06353 1280. RY (45)Sc 26 1281. 0.00000 288.35658 1281. RY (46)Sc 26 1282. 0.00000 20.40855 1282. RY (47)Sc 26 1283. 0.00000 19.10717 1283. RY (48)Sc 26 1284. 0.00000 4.23580 1284. RY (49)Sc 26 1285. 0.00000 8.72207 1285. RY (50)Sc 26 1286. 0.00000 15.08738 1286. RY (51)Sc 26 1287. 0.00000 6.80210 1287. RY (52)Sc 26 1288. 0.00000 4.95258 1288. RY (53)Sc 26 1289. 0.00000 3.60533 1289. RY (54)Sc 26 1290. 0.00000 3.99736 1290. RY (55)Sc 26 1291. 0.00000 3.46268 1291. RY (56)Sc 26 1292. 0.00000 4.12854 1292. RY (57)Sc 26 1293. 0.00000 3.21473 1293. RY (58)Sc 26 1294. 0.00000 4.89307 1294. RY (59)Sc 26 1295. 0.00000 3.67994 1295. RY (60)Sc 26 1296. 0.00000 3.12888 1296. RY (61)Sc 26 1297. 0.00000 3.05158 1297. RY (62)Sc 26 1298. 0.00000 6.86651 1298. RY (63)Sc 26 1299. 0.00000 3.85065 1299. RY (64)Sc 26 1300. 0.00000 3.72944 1300. RY (65)Sc 26 1301. 0.00000 3.08095 1301. RY (66)Sc 26 1302. 0.00000 3.78873 1302. RY (67)Sc 26 1303. 0.00000 3.44577 1303. RY (68)Sc 26 1304. 0.00000 3.30448 1304. RY (69)Sc 26 1305. 0.00000 2.93874 1305. RY (70)Sc 26 1306. 0.00000 3.36791 1306. RY (71)Sc 26 1307. 0.00000 3.20385 1307. RY (72)Sc 26 1308. 0.00000 3.18309 1308. RY (73)Sc 26 1309. 0.00000 3.73991 1309. RY (74)Sc 26 1310. 0.00000 2.91154 1310. RY (75)Sc 26 1311. 0.00000 3.37655 1311. RY (76)Sc 26 1312. 0.00000 3.39698 1312. RY (77)Sc 26 1313. 0.00000 3.65194 1313. RY (78)Sc 26 Beta orbitals: Sort Occ Energy Orig Label ----------------------------------------------------------- 1. 1.00000 -87.40091 11. CR ( 1) S 21 2. 1.00000 -87.75133 16. CR ( 1) S 22 3. 1.00000 -87.78174 21. CR ( 1) S 23 4. 1.00000 -87.75991 26. CR ( 1) S 24 5. 1.00000 -87.40200 31. CR ( 1) S 25 6. 1.00000 -42.90610 36. CR ( 1)Sc 26 7. 1.00000 -135.68478 37. CR ( 2)Sc 26 8. 1.00000 -8.84295 12. CR ( 2) S 21 9. 1.00000 -5.71357 13. CR ( 3) S 21 10. 1.00000 -5.70706 14. CR ( 4) S 21 11. 1.00000 -5.70532 15. CR ( 5) S 21 12. 1.00000 -8.60871 17. CR ( 2) S 22 13. 1.00000 -8.58741 22. CR ( 2) S 23 14. 1.00000 -8.60151 27. CR ( 2) S 24 15. 1.00000 -8.84232 32. CR ( 2) S 25 16. 1.00000 -14.34303 39. CR ( 4)Sc 26 17. 1.00000 -14.34267 41. CR ( 6)Sc 26 18. 1.00000 -14.34316 43. CR ( 8)Sc 26 19. 1.00000 -5.76725 18. CR ( 3) S 22 20. 1.00000 -5.76128 19. CR ( 4) S 22 21. 1.00000 -5.76714 20. CR ( 5) S 22 22. 1.00000 -5.76794 23. CR ( 3) S 23 23. 1.00000 -5.76688 24. CR ( 4) S 23 24. 1.00000 -5.77507 25. CR ( 5) S 23 25. 1.00000 -5.76779 28. CR ( 3) S 24 26. 1.00000 -5.76431 29. CR ( 4) S 24 27. 1.00000 -5.76553 30. CR ( 5) S 24 28. 1.00000 -5.71357 33. CR ( 3) S 25 29. 1.00000 -5.70710 34. CR ( 4) S 25 30. 1.00000 -5.70605 35. CR ( 5) S 25 31. 0.99999 -2.06359 38. CR ( 3)Sc 26 32. 0.99999 -10.06894 1. CR ( 1) C 1 33. 0.99999 -10.07212 2. CR ( 1) C 2 34. 0.99999 -10.07107 3. CR ( 1) C 3 35. 0.99999 -10.06787 4. CR ( 1) C 4 36. 0.99999 -10.06014 5. CR ( 1) C 5 37. 0.99999 -10.07103 6. CR ( 1) C 6 38. 0.99999 -10.07611 7. CR ( 1) C 7 39. 0.99999 -10.07766 8. CR ( 1) C 8 40. 0.99999 -10.07791 9. CR ( 1) C 9 41. 0.99999 -10.07658 10. CR ( 1) C 10 42. 0.99993 -1.18502 40. CR ( 5)Sc 26 43. 0.99993 -1.18446 44. CR ( 9)Sc 26 44. 0.99992 -1.18581 42. CR ( 7)Sc 26 45. 0.99748 -0.38462 50. LP ( 1) S 23 46. 0.99495 -0.37809 48. LP ( 1) S 22 47. 0.99484 -0.38631 78. BD ( 1) S 22- S 23 48. 0.99479 -0.38615 79. BD ( 1) S 23- S 24 49. 0.99459 -0.37948 52. LP ( 1) S 24 50. 0.99031 -0.28100 81. BD ( 1) S 25-Sc 26 51. 0.98996 -0.28035 76. BD ( 1) S 21-Sc 26 52. 0.98745 -0.35907 75. BD ( 1) S 21- S 22 53. 0.98698 -0.35849 80. BD ( 1) S 24- S 25 54. 0.98407 -0.34285 63. BD ( 1) C 4- H 14 55. 0.98392 -0.33709 64. BD ( 1) C 5- H 15 56. 0.98376 -0.34474 57. BD ( 1) C 1- H 11 57. 0.98374 -0.34538 67. BD ( 1) C 6- H 16 58. 0.98360 -0.35446 59. BD ( 1) C 2- H 12 59. 0.98356 -0.35915 71. BD ( 1) C 8- H 18 60. 0.98344 -0.35345 61. BD ( 1) C 3- H 13 61. 0.98336 -0.35907 73. BD ( 1) C 9- H 19 62. 0.98270 -0.35197 69. BD ( 1) C 7- H 17 63. 0.98236 -0.35252 74. BD ( 1) C 10- H 20 64. 0.98047 -0.42413 55. BD ( 1) C 1- C 2 65. 0.98032 -0.42796 65. BD ( 1) C 6- C 7 66. 0.98026 -0.42333 60. BD ( 1) C 3- C 4 67. 0.98021 -0.41936 62. BD ( 1) C 4- C 5 68. 0.98008 -0.43003 68. BD ( 1) C 7- C 8 69. 0.98005 -0.42734 66. BD ( 1) C 6- C 10 70. 0.97991 -0.42957 72. BD ( 1) C 9- C 10 71. 0.97984 -0.41838 56. BD ( 1) C 1- C 5 72. 0.97879 -0.42835 70. BD ( 1) C 8- C 9 73. 0.97874 -0.42127 58. BD ( 1) C 2- C 3 74. 0.97241 -0.25275 54. LP ( 1) S 25 75. 0.97158 -0.25152 47. LP ( 1) S 21 76. 0.94823 -0.17850 83. 3C ( 1) C 1- C 4- C 5 77. 0.94711 -0.18620 84. 3C ( 1) C 6- C 7- C 10 78. 0.94438 -0.13103 51. LP ( 2) S 23 79. 0.94401 -0.08751 77. BD ( 2) S 21-Sc 26 80. 0.94263 -0.08758 82. BD ( 2) S 25-Sc 26 81. 0.94064 -0.11430 49. LP ( 2) S 22 82. 0.93991 -0.11355 53. LP ( 2) S 24 83. 0.63707 -0.00605 86. 3Cn( 1) C 6- C 7- C 10 84. 0.63631 0.00255 85. 3Cn( 1) C 1- C 4- C 5 85. 0.57616 -0.01128 46. LP ( 1) C 3 86. 0.57156 -0.01169 45. LP ( 1) C 2 87. 0.56792 -0.01720 88. LV ( 1) C 9 88. 0.56759 -0.01640 87. LV ( 1) C 8 89. 0.14187 0.17107 89. LV ( 1)Sc 26 90. 0.11443 0.36716 90. LV ( 2)Sc 26 91. 0.09712 0.27557 118. BD*( 2) S 25-Sc 26 92. 0.09700 0.27522 113. BD*( 2) S 21-Sc 26 93. 0.07924 0.18492 119. 3C*( 1) C 1- C 4- C 5 94. 0.07800 0.17402 120. 3C*( 1) C 6- C 7- C 10 95. 0.06992 0.17273 115. BD*( 1) S 23- S 24 96. 0.06882 0.17391 114. BD*( 1) S 22- S 23 97. 0.05468 0.26597 117. BD*( 1) S 25-Sc 26 98. 0.05449 0.26639 112. BD*( 1) S 21-Sc 26 99. 0.02955 0.20376 111. BD*( 1) S 21- S 22 100. 0.02880 0.20171 116. BD*( 1) S 24- S 25 101. 0.02873 0.41658 1236. RY ( 1)Sc 26 102. 0.02735 0.50308 1237. RY ( 2)Sc 26 103. 0.02126 0.41943 1238. RY ( 3)Sc 26 104. 0.01676 0.44182 1239. RY ( 4)Sc 26 105. 0.01017 0.81090 1053. RY ( 1) S 23 106. 0.00935 0.54430 100. BD*( 1) C 5- H 15 107. 0.00895 0.74728 1114. RY ( 1) S 24 108. 0.00888 0.75054 992. RY ( 1) S 22 109. 0.00869 0.60690 106. BD*( 1) C 8- C 9 110. 0.00858 0.60951 94. BD*( 1) C 2- C 3 111. 0.00784 0.61892 91. BD*( 1) C 1- C 2 112. 0.00774 0.51758 95. BD*( 1) C 2- H 12 113. 0.00769 0.51654 97. BD*( 1) C 3- H 13 114. 0.00768 0.62002 96. BD*( 1) C 3- C 4 115. 0.00767 0.61106 108. BD*( 1) C 9- C 10 116. 0.00765 0.52643 105. BD*( 1) C 7- H 17 117. 0.00762 0.51304 109. BD*( 1) C 9- H 19 118. 0.00760 0.51305 107. BD*( 1) C 8- H 18 119. 0.00749 0.61335 104. BD*( 1) C 7- C 8 120. 0.00748 0.52396 110. BD*( 1) C 10- H 20 121. 0.00747 0.53479 99. BD*( 1) C 4- H 14 122. 0.00732 0.62248 92. BD*( 1) C 1- C 5 123. 0.00727 0.53110 93. BD*( 1) C 1- H 11 124. 0.00727 0.62566 98. BD*( 1) C 4- C 5 125. 0.00702 0.52722 103. BD*( 1) C 6- H 16 126. 0.00685 0.61390 102. BD*( 1) C 6- C 10 127. 0.00685 0.61570 101. BD*( 1) C 6- C 7 128. 0.00618 0.74637 1054. RY ( 2) S 23 129. 0.00542 0.45393 1240. RY ( 5)Sc 26 130. 0.00489 0.74654 993. RY ( 2) S 22 131. 0.00485 0.76623 1115. RY ( 2) S 24 132. 0.00482 1.25427 1241. RY ( 6)Sc 26 133. 0.00430 0.62427 994. RY ( 3) S 22 134. 0.00429 0.61202 1116. RY ( 3) S 24 135. 0.00349 1.21528 1242. RY ( 7)Sc 26 136. 0.00329 0.84549 1175. RY ( 1) S 25 137. 0.00324 0.84531 931. RY ( 1) S 21 138. 0.00235 0.84936 1055. RY ( 3) S 23 139. 0.00206 1.85272 381. RY ( 1) C 6 140. 0.00201 1.77593 1243. RY ( 8)Sc 26 141. 0.00201 1.95862 329. RY ( 1) C 5 142. 0.00201 1.83737 121. RY ( 1) C 1 143. 0.00201 1.87027 277. RY ( 1) C 4 144. 0.00191 1.92626 433. RY ( 1) C 7 145. 0.00189 1.90579 589. RY ( 1) C 10 146. 0.00182 1.92622 485. RY ( 1) C 8 147. 0.00180 1.91771 537. RY ( 1) C 9 148. 0.00180 2.00049 225. RY ( 1) C 3 149. 0.00178 2.01932 173. RY ( 1) C 2 150. 0.00169 0.93172 1056. RY ( 4) S 23 151. 0.00153 1.74695 434. RY ( 2) C 7 152. 0.00153 1.85656 278. RY ( 2) C 4 153. 0.00153 1.74992 590. RY ( 2) C 10 154. 0.00150 1.93952 122. RY ( 2) C 1 155. 0.00148 1.62004 382. RY ( 2) C 6 156. 0.00146 1.59641 330. RY ( 2) C 5 157. 0.00141 0.82989 995. RY ( 4) S 22 158. 0.00140 1.70174 486. RY ( 2) C 8 159. 0.00137 0.85120 1117. RY ( 4) S 24 160. 0.00137 1.74097 226. RY ( 2) C 3 161. 0.00136 1.69978 538. RY ( 2) C 9 162. 0.00135 1.52244 123. RY ( 3) C 1 163. 0.00132 1.74519 174. RY ( 2) C 2 164. 0.00132 1.54602 279. RY ( 3) C 4 165. 0.00125 1.60415 435. RY ( 3) C 7 166. 0.00125 1.60179 591. RY ( 3) C 10 167. 0.00116 1.88968 1244. RY ( 9)Sc 26 168. 0.00113 1.90267 1245. RY (10)Sc 26 169. 0.00111 1.29007 932. RY ( 2) S 21 170. 0.00111 1.26158 1176. RY ( 2) S 25 171. 0.00094 1.44218 539. RY ( 3) C 9 172. 0.00091 1.38574 487. RY ( 3) C 8 173. 0.00088 1.60925 757. RY ( 1) H 15 174. 0.00087 1.31079 175. RY ( 3) C 2 175. 0.00085 1.30926 227. RY ( 3) C 3 176. 0.00084 1.42893 383. RY ( 3) C 6 177. 0.00080 1.04378 933. RY ( 3) S 21 178. 0.00073 1.05185 1177. RY ( 3) S 25 179. 0.00072 1.48334 331. RY ( 3) C 5 180. 0.00067 1.60026 1246. RY (11)Sc 26 181. 0.00064 2.52195 592. RY ( 4) C 10 182. 0.00061 2.44453 280. RY ( 4) C 4 183. 0.00059 2.51655 124. RY ( 4) C 1 184. 0.00059 2.51494 436. RY ( 4) C 7 185. 0.00054 1.81186 934. RY ( 4) S 21 186. 0.00053 1.94035 540. RY ( 4) C 9 187. 0.00053 1.68715 1178. RY ( 4) S 25 188. 0.00051 1.97793 488. RY ( 4) C 8 189. 0.00048 1.51125 728. RY ( 1) H 14 190. 0.00047 1.93242 384. RY ( 4) C 6 191. 0.00045 1.86330 1247. RY (12)Sc 26 192. 0.00040 2.80823 385. RY ( 5) C 6 193. 0.00040 2.68820 332. RY ( 4) C 5 194. 0.00037 2.97049 541. RY ( 5) C 9 195. 0.00037 1.54755 815. RY ( 1) H 17 196. 0.00037 2.44817 125. RY ( 5) C 1 197. 0.00037 2.49866 593. RY ( 5) C 10 198. 0.00037 2.03029 333. RY ( 5) C 5 199. 0.00037 2.02058 786. RY ( 1) H 16 200. 0.00036 2.94826 176. RY ( 4) C 2 201. 0.00036 3.00979 489. RY ( 5) C 8 202. 0.00035 1.75617 641. RY ( 1) H 11 203. 0.00035 2.54264 281. RY ( 5) C 4 204. 0.00035 2.04529 873. RY ( 1) H 19 205. 0.00035 2.97316 228. RY ( 4) C 3 206. 0.00035 2.64960 437. RY ( 5) C 7 207. 0.00034 1.97986 1248. RY (13)Sc 26 208. 0.00034 0.65004 1057. RY ( 5) S 23 209. 0.00034 2.16039 844. RY ( 1) H 18 210. 0.00032 2.28708 670. RY ( 1) H 12 211. 0.00032 2.32764 699. RY ( 1) H 13 212. 0.00031 1.65154 902. RY ( 1) H 20 213. 0.00030 1.54420 935. RY ( 5) S 21 214. 0.00030 1.89036 996. RY ( 5) S 22 215. 0.00030 1.49501 1179. RY ( 5) S 25 216. 0.00030 2.12587 177. RY ( 5) C 2 217. 0.00029 2.41520 1118. RY ( 5) S 24 218. 0.00028 2.30252 229. RY ( 5) C 3 219. 0.00028 1.00726 1119. RY ( 6) S 24 220. 0.00028 3.03163 758. RY ( 2) H 15 221. 0.00027 1.55973 997. RY ( 6) S 22 222. 0.00027 2.88884 787. RY ( 2) H 16 223. 0.00027 2.73013 642. RY ( 2) H 11 224. 0.00026 2.86025 729. RY ( 2) H 14 225. 0.00026 3.24987 816. RY ( 2) H 17 226. 0.00026 2.69602 874. RY ( 2) H 19 227. 0.00026 1.75638 1249. RY (14)Sc 26 228. 0.00026 2.43376 334. RY ( 6) C 5 229. 0.00026 3.20662 903. RY ( 2) H 20 230. 0.00025 2.33058 1250. RY (15)Sc 26 231. 0.00025 2.69107 845. RY ( 2) H 18 232. 0.00025 1.06028 998. RY ( 7) S 22 233. 0.00024 4.86199 438. RY ( 6) C 7 234. 0.00024 4.91254 594. RY ( 6) C 10 235. 0.00024 4.69005 335. RY ( 7) C 5 236. 0.00024 1.09795 1120. RY ( 7) S 24 237. 0.00023 4.85087 282. RY ( 6) C 4 238. 0.00023 1.52248 1058. RY ( 6) S 23 239. 0.00023 5.04113 126. RY ( 6) C 1 240. 0.00023 2.99007 759. RY ( 3) H 15 241. 0.00023 4.89751 386. RY ( 6) C 6 242. 0.00022 4.92128 178. RY ( 6) C 2 243. 0.00022 4.95979 490. RY ( 6) C 8 244. 0.00023 4.97082 542. RY ( 6) C 9 245. 0.00022 4.81155 230. RY ( 6) C 3 246. 0.00021 2.75434 671. RY ( 2) H 12 247. 0.00021 2.34158 1251. RY (16)Sc 26 248. 0.00021 2.76168 700. RY ( 2) H 13 249. 0.00021 2.34233 1252. RY (17)Sc 26 250. 0.00019 3.14072 730. RY ( 3) H 14 251. 0.00019 3.02162 788. RY ( 3) H 16 252. 0.00019 3.06319 760. RY ( 4) H 15 253. 0.00019 1.98319 936. RY ( 6) S 21 254. 0.00019 1.95292 1180. RY ( 6) S 25 255. 0.00018 2.32815 1253. RY (18)Sc 26 256. 0.00018 3.25138 817. RY ( 3) H 17 257. 0.00018 1.77509 1059. RY ( 7) S 23 258. 0.00018 3.29167 904. RY ( 3) H 20 259. 0.00018 3.32403 643. RY ( 3) H 11 260. 0.00017 3.50022 846. RY ( 3) H 18 261. 0.00017 3.50675 875. RY ( 3) H 19 262. 0.00017 3.53471 672. RY ( 3) H 12 263. 0.00017 3.53410 701. RY ( 3) H 13 264. 0.00017 2.73347 283. RY ( 7) C 4 265. 0.00017 1.37907 1060. RY ( 8) S 23 266. 0.00017 2.47948 1254. RY (19)Sc 26 267. 0.00016 2.39411 387. RY ( 7) C 6 268. 0.00016 1.56779 999. RY ( 8) S 22 269. 0.00016 2.14294 1255. RY (20)Sc 26 270. 0.00015 2.64497 336. RY ( 8) C 5 271. 0.00015 1.67220 1121. RY ( 8) S 24 272. 0.00015 2.42736 127. RY ( 7) C 1 273. 0.00014 3.06702 179. RY ( 7) C 2 274. 0.00014 2.33268 439. RY ( 7) C 7 275. 0.00014 3.28631 543. RY ( 7) C 9 276. 0.00014 2.18638 595. RY ( 7) C 10 277. 0.00014 3.20558 491. RY ( 7) C 8 278. 0.00013 2.94724 231. RY ( 7) C 3 279. 0.00013 1.58099 1256. RY (21)Sc 26 280. 0.00012 1.80445 937. RY ( 7) S 21 281. 0.00012 1.95152 1181. RY ( 7) S 25 282. 0.00012 2.52064 337. RY ( 9) C 5 283. 0.00011 3.52691 1257. RY (22)Sc 26 284. 0.00011 2.72275 440. RY ( 8) C 7 285. 0.00011 2.91781 596. RY ( 8) C 10 286. 0.00010 3.03828 731. RY ( 4) H 14 287. 0.00010 2.54236 284. RY ( 8) C 4 288. 0.00010 1.55493 1182. RY ( 8) S 25 289. 0.00009 3.07900 644. RY ( 4) H 11 290. 0.00009 1.71310 938. RY ( 8) S 21 291. 0.00009 3.23114 128. RY ( 8) C 1 292. 0.00009 2.63175 129. RY ( 9) C 1 293. 0.00008 3.35066 388. RY ( 8) C 6 294. 0.00008 3.33508 285. RY ( 9) C 4 295. 0.00008 2.77329 702. RY ( 4) H 13 296. 0.00008 2.87962 818. RY ( 4) H 17 297. 0.00008 2.84258 905. RY ( 4) H 20 298. 0.00008 2.78807 673. RY ( 4) H 12 299. 0.00008 2.67355 847. RY ( 4) H 18 300. 0.00008 2.66860 876. RY ( 4) H 19 301. 0.00008 1.64048 1000. RY ( 9) S 22 302. 0.00008 1.70849 1122. RY ( 9) S 24 303. 0.00007 2.64113 789. RY ( 4) H 16 304. 0.00008 2.18560 1258. RY (23)Sc 26 305. 0.00007 3.38142 597. RY ( 9) C 10 306. 0.00007 3.08003 389. RY ( 9) C 6 307. 0.00007 3.42748 441. RY ( 9) C 7 308. 0.00007 2.26424 492. RY ( 8) C 8 309. 0.00007 2.34342 232. RY ( 8) C 3 310. 0.00007 3.10338 877. RY ( 5) H 19 311. 0.00007 3.20516 1259. RY (24)Sc 26 312. 0.00007 2.08774 544. RY ( 8) C 9 313. 0.00006 3.35225 338. RY (10) C 5 314. 0.00006 3.07226 848. RY ( 5) H 18 315. 0.00006 2.06716 1260. RY (25)Sc 26 316. 0.00006 2.22126 180. RY ( 8) C 2 317. 0.00006 3.24980 790. RY ( 5) H 16 318. 0.00006 2.55620 674. RY ( 5) H 12 319. 0.00005 3.66498 545. RY ( 9) C 9 320. 0.00005 2.63017 939. RY ( 9) S 21 321. 0.00005 1.75190 1061. RY ( 9) S 23 322. 0.00005 2.58813 1183. RY ( 9) S 25 323. 0.00005 2.57058 703. RY ( 5) H 13 324. 0.00005 3.02414 645. RY ( 5) H 11 325. 0.00005 2.02224 1261. RY (26)Sc 26 326. 0.00005 3.65518 286. RY (10) C 4 327. 0.00005 3.25954 442. 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RY (47) S 21 1066. 0.00000 3.55896 978. RY (48) S 21 1067. 0.00000 95.97565 979. RY (49) S 21 1068. 0.00000 283.76472 980. RY (50) S 21 1069. 0.00000 103.37075 981. RY (51) S 21 1070. 0.00000 58.41452 982. RY (52) S 21 1071. 0.00000 10.71439 983. RY (53) S 21 1072. 0.00000 16.33909 984. RY (54) S 21 1073. 0.00000 14.16871 985. RY (55) S 21 1074. 0.00000 18.16499 986. RY (56) S 21 1075. 0.00000 20.09609 987. RY (57) S 21 1076. 0.00000 6.57325 988. RY (58) S 21 1077. 0.00000 8.25659 989. RY (59) S 21 1078. 0.00000 9.06641 990. RY (60) S 21 1079. 0.00000 5.26409 991. RY (61) S 21 1080. 0.00000 4.88026 1005. RY (14) S 22 1081. 0.00000 6.95701 1006. RY (15) S 22 1082. 0.00000 4.33933 1007. RY (16) S 22 1083. 0.00000 4.52577 1008. RY (17) S 22 1084. 0.00000 7.66908 1009. RY (18) S 22 1085. 0.00000 8.38497 1010. RY (19) S 22 1086. 0.00000 4.02135 1011. RY (20) S 22 1087. 0.00000 5.73023 1012. RY (21) S 22 1088. 0.00000 5.04141 1013. RY (22) S 22 1089. 0.00000 4.13660 1014. RY (23) S 22 1090. 0.00000 3.98643 1015. RY (24) S 22 1091. 0.00000 4.58307 1016. RY (25) S 22 1092. 0.00000 4.44094 1017. RY (26) S 22 1093. 0.00000 4.73569 1018. RY (27) S 22 1094. 0.00000 4.82099 1019. RY (28) S 22 1095. 0.00000 7.10368 1020. RY (29) S 22 1096. 0.00000 4.24048 1021. RY (30) S 22 1097. 0.00000 3.74841 1022. RY (31) S 22 1098. 0.00000 4.07827 1023. RY (32) S 22 1099. 0.00000 4.42280 1024. RY (33) S 22 1100. 0.00000 3.32226 1025. RY (34) S 22 1101. 0.00000 5.22888 1026. RY (35) S 22 1102. 0.00000 4.55618 1027. RY (36) S 22 1103. 0.00000 3.33194 1028. RY (37) S 22 1104. 0.00000 3.84964 1029. RY (38) S 22 1105. 0.00000 3.30730 1030. RY (39) S 22 1106. 0.00000 4.60804 1031. RY (40) S 22 1107. 0.00000 3.07803 1032. RY (41) S 22 1108. 0.00000 5.89324 1033. RY (42) S 22 1109. 0.00000 3.91943 1034. RY (43) S 22 1110. 0.00000 3.12490 1035. RY (44) S 22 1111. 0.00000 3.80104 1036. RY (45) S 22 1112. 0.00000 2.77407 1037. RY (46) S 22 1113. 0.00000 2.52897 1038. RY (47) S 22 1114. 0.00000 2.79795 1039. RY (48) S 22 1115. 0.00001 2.02297 1040. RY (49) S 22 1116. 0.00001 2.35412 1190. RY (16) S 25 1117. 0.00000 74.71652 1041. RY (50) S 22 1118. 0.00000 323.54358 1042. RY (51) S 22 1119. 0.00000 102.18814 1043. RY (52) S 22 1120. 0.00000 17.00651 1044. RY (53) S 22 1121. 0.00000 23.75235 1045. RY (54) S 22 1122. 0.00000 13.58931 1046. RY (55) S 22 1123. 0.00000 22.84508 1047. RY (56) S 22 1124. 0.00000 13.60397 1048. RY (57) S 22 1125. 0.00000 21.67418 1049. RY (58) S 22 1126. 0.00000 12.36486 1050. RY (59) S 22 1127. 0.00000 5.70208 1051. RY (60) S 22 1128. 0.00000 7.27359 1052. RY (61) S 22 1129. 0.00000 9.71087 1066. RY (14) S 23 1130. 0.00000 12.64644 1067. RY (15) S 23 1131. 0.00000 7.21096 1068. RY (16) S 23 1132. 0.00000 8.17496 1069. RY (17) S 23 1133. 0.00000 5.35433 1070. RY (18) S 23 1134. 0.00000 4.61289 1071. RY (19) S 23 1135. 0.00000 4.14988 1072. RY (20) S 23 1136. 0.00000 3.73961 1073. RY (21) S 23 1137. 0.00000 4.33122 1074. RY (22) S 23 1138. 0.00000 4.54385 1075. RY (23) S 23 1139. 0.00000 3.65331 1076. RY (24) S 23 1140. 0.00000 5.08447 1077. RY (25) S 23 1141. 0.00000 4.14632 1078. RY (26) S 23 1142. 0.00000 5.36516 1079. RY (27) S 23 1143. 0.00000 3.34602 1080. RY (28) S 23 1144. 0.00000 5.39322 1081. RY (29) S 23 1145. 0.00000 4.99771 1082. RY (30) S 23 1146. 0.00000 4.79650 1083. RY (31) S 23 1147. 0.00000 5.89179 1084. RY (32) S 23 1148. 0.00000 3.84347 1085. RY (33) S 23 1149. 0.00000 5.69293 1086. RY (34) S 23 1150. 0.00000 4.44484 1087. RY (35) S 23 1151. 0.00000 3.23871 1088. RY (36) S 23 1152. 0.00000 3.96642 1089. RY (37) S 23 1153. 0.00000 2.89214 1090. RY (38) S 23 1154. 0.00000 2.38415 1091. RY (39) S 23 1155. 0.00000 3.54253 1092. RY (40) S 23 1156. 0.00000 6.26256 1093. RY (41) S 23 1157. 0.00000 5.93698 1094. RY (42) S 23 1158. 0.00000 2.38276 1095. RY (43) S 23 1159. 0.00000 3.99074 1096. RY (44) S 23 1160. 0.00000 3.37100 1097. RY (45) S 23 1161. 0.00000 4.06204 1098. RY (46) S 23 1162. 0.00000 2.10085 1099. RY (47) S 23 1163. 0.00000 2.15497 1100. RY (48) S 23 1164. 0.00000 2.58399 1128. RY (15) S 24 1165. 0.00000 2.43958 1129. RY (16) S 24 1166. 0.00000 68.96959 1101. RY (49) S 23 1167. 0.00000 372.07589 1102. RY (50) S 23 1168. 0.00000 23.22219 1103. RY (51) S 23 1169. 0.00000 32.00875 1104. RY (52) S 23 1170. 0.00000 39.72311 1105. RY (53) S 23 1171. 0.00000 14.21921 1106. RY (54) S 23 1172. 0.00000 10.76186 1107. RY (55) S 23 1173. 0.00000 13.85224 1108. RY (56) S 23 1174. 0.00000 18.82155 1109. RY (57) S 23 1175. 0.00000 6.30527 1110. RY (58) S 23 1176. 0.00000 9.55212 1111. RY (59) S 23 1177. 0.00000 11.70688 1112. RY (60) S 23 1178. 0.00000 9.69902 1113. RY (61) S 23 1179. 0.00000 4.91765 1130. RY (17) S 24 1180. 0.00000 4.96926 1131. RY (18) S 24 1181. 0.00000 5.54381 1132. RY (19) S 24 1182. 0.00000 5.26190 1133. RY (20) S 24 1183. 0.00000 8.02865 1134. RY (21) S 24 1184. 0.00000 6.66177 1135. RY (22) S 24 1185. 0.00000 4.29676 1136. RY (23) S 24 1186. 0.00000 3.85340 1137. RY (24) S 24 1187. 0.00000 4.04626 1138. RY (25) S 24 1188. 0.00000 5.88310 1139. RY (26) S 24 1189. 0.00000 5.48632 1140. RY (27) S 24 1190. 0.00000 6.90022 1141. RY (28) S 24 1191. 0.00000 5.27518 1142. RY (29) S 24 1192. 0.00000 3.69489 1143. RY (30) S 24 1193. 0.00000 5.59702 1144. RY (31) S 24 1194. 0.00000 4.15109 1145. RY (32) S 24 1195. 0.00000 4.00171 1146. RY (33) S 24 1196. 0.00000 3.84565 1147. RY (34) S 24 1197. 0.00000 5.15198 1148. RY (35) S 24 1198. 0.00000 3.18054 1149. RY (36) S 24 1199. 0.00000 3.99544 1150. RY (37) S 24 1200. 0.00000 4.91265 1151. RY (38) S 24 1201. 0.00000 3.06328 1152. RY (39) S 24 1202. 0.00000 3.98976 1153. RY (40) S 24 1203. 0.00000 4.11186 1154. RY (41) S 24 1204. 0.00000 3.15902 1155. RY (42) S 24 1205. 0.00000 4.09010 1156. RY (43) S 24 1206. 0.00000 5.85822 1157. RY (44) S 24 1207. 0.00000 3.81013 1158. RY (45) S 24 1208. 0.00000 2.90381 1159. RY (46) S 24 1209. 0.00000 3.53156 1160. RY (47) S 24 1210. 0.00000 3.09940 1161. RY (48) S 24 1211. 0.00000 2.45191 1191. RY (17) S 25 1212. 0.00000 1.90599 1192. RY (18) S 25 1213. 0.00000 2.73124 1269. RY (34)Sc 26 1214. 0.00000 2.52609 1270. RY (35)Sc 26 1215. 0.00001 2.52703 1271. RY (36)Sc 26 1216. 0.00000 80.09245 1162. RY (49) S 24 1217. 0.00000 347.40794 1163. RY (50) S 24 1218. 0.00000 76.89704 1164. RY (51) S 24 1219. 0.00000 27.97160 1165. RY (52) S 24 1220. 0.00000 12.81555 1166. RY (53) S 24 1221. 0.00000 10.06168 1167. RY (54) S 24 1222. 0.00000 13.30817 1168. RY (55) S 24 1223. 0.00000 18.41374 1169. RY (56) S 24 1224. 0.00000 15.59278 1170. RY (57) S 24 1225. 0.00000 10.59347 1171. RY (58) S 24 1226. 0.00000 13.36415 1172. RY (59) S 24 1227. 0.00000 9.15152 1173. RY (60) S 24 1228. 0.00000 7.74284 1174. RY (61) S 24 1229. 0.00000 5.11333 1193. RY (19) S 25 1230. 0.00000 7.68854 1194. RY (20) S 25 1231. 0.00000 5.18732 1195. RY (21) S 25 1232. 0.00000 9.08960 1196. RY (22) S 25 1233. 0.00000 4.99473 1197. RY (23) S 25 1234. 0.00000 4.42213 1198. RY (24) S 25 1235. 0.00000 5.04539 1199. RY (25) S 25 1236. 0.00000 4.31239 1200. RY (26) S 25 1237. 0.00000 5.23886 1201. RY (27) S 25 1238. 0.00000 3.93084 1202. RY (28) S 25 1239. 0.00000 4.16208 1203. RY (29) S 25 1240. 0.00000 4.42070 1204. RY (30) S 25 1241. 0.00000 5.44088 1205. RY (31) S 25 1242. 0.00000 3.97436 1206. RY (32) S 25 1243. 0.00000 6.18819 1207. RY (33) S 25 1244. 0.00000 3.57238 1208. RY (34) S 25 1245. 0.00000 4.53890 1209. RY (35) S 25 1246. 0.00000 4.18589 1210. RY (36) S 25 1247. 0.00000 3.22456 1211. RY (37) S 25 1248. 0.00000 4.45670 1212. RY (38) S 25 1249. 0.00000 4.51359 1213. RY (39) S 25 1250. 0.00000 5.11696 1214. RY (40) S 25 1251. 0.00000 3.82720 1215. RY (41) S 25 1252. 0.00000 3.83869 1216. RY (42) S 25 1253. 0.00000 4.33759 1217. RY (43) S 25 1254. 0.00000 3.91293 1218. RY (44) S 25 1255. 0.00000 4.72437 1219. RY (45) S 25 1256. 0.00000 3.67687 1220. RY (46) S 25 1257. 0.00000 3.77087 1221. RY (47) S 25 1258. 0.00000 3.74880 1222. RY (48) S 25 1259. 0.00000 72.72263 1223. RY (49) S 25 1260. 0.00000 338.10246 1224. RY (50) S 25 1261. 0.00000 82.30067 1225. RY (51) S 25 1262. 0.00000 48.31443 1226. RY (52) S 25 1263. 0.00000 11.48712 1227. RY (53) S 25 1264. 0.00000 10.62005 1228. RY (54) S 25 1265. 0.00000 20.13197 1229. RY (55) S 25 1266. 0.00000 12.35244 1230. RY (56) S 25 1267. 0.00000 22.54112 1231. RY (57) S 25 1268. 0.00000 4.99613 1232. RY (58) S 25 1269. 0.00000 13.67968 1233. RY (59) S 25 1270. 0.00000 6.53393 1234. RY (60) S 25 1271. 0.00000 6.88390 1235. RY (61) S 25 1272. 0.00000 3.44375 1272. RY (37)Sc 26 1273. 0.00000 3.96301 1273. RY (38)Sc 26 1274. 0.00000 3.71204 1274. RY (39)Sc 26 1275. 0.00000 2.90701 1275. RY (40)Sc 26 1276. 0.00000 3.18513 1276. RY (41)Sc 26 1277. 0.00000 2.88313 1277. RY (42)Sc 26 1278. 0.00000 2.37734 1278. RY (43)Sc 26 1279. 0.00000 2.91298 1279. RY (44)Sc 26 1280. 0.00000 213.06353 1280. RY (45)Sc 26 1281. 0.00000 288.35658 1281. RY (46)Sc 26 1282. 0.00000 20.40855 1282. RY (47)Sc 26 1283. 0.00000 19.10717 1283. RY (48)Sc 26 1284. 0.00000 4.23580 1284. RY (49)Sc 26 1285. 0.00000 8.72207 1285. RY (50)Sc 26 1286. 0.00000 15.08738 1286. RY (51)Sc 26 1287. 0.00000 6.80210 1287. RY (52)Sc 26 1288. 0.00000 4.95258 1288. RY (53)Sc 26 1289. 0.00000 3.60533 1289. RY (54)Sc 26 1290. 0.00000 3.99736 1290. RY (55)Sc 26 1291. 0.00000 3.46268 1291. RY (56)Sc 26 1292. 0.00000 4.12854 1292. RY (57)Sc 26 1293. 0.00000 3.21473 1293. RY (58)Sc 26 1294. 0.00000 4.89307 1294. RY (59)Sc 26 1295. 0.00000 3.67994 1295. RY (60)Sc 26 1296. 0.00000 3.12888 1296. RY (61)Sc 26 1297. 0.00000 3.05158 1297. RY (62)Sc 26 1298. 0.00000 6.86651 1298. RY (63)Sc 26 1299. 0.00000 3.85065 1299. RY (64)Sc 26 1300. 0.00000 3.72944 1300. RY (65)Sc 26 1301. 0.00000 3.08095 1301. RY (66)Sc 26 1302. 0.00000 3.78873 1302. RY (67)Sc 26 1303. 0.00000 3.44577 1303. RY (68)Sc 26 1304. 0.00000 3.30448 1304. RY (69)Sc 26 1305. 0.00000 2.93874 1305. RY (70)Sc 26 1306. 0.00000 3.36791 1306. RY (71)Sc 26 1307. 0.00000 3.20385 1307. RY (72)Sc 26 1308. 0.00000 3.18309 1308. RY (73)Sc 26 1309. 0.00000 3.73991 1309. RY (74)Sc 26 1310. 0.00000 2.91154 1310. RY (75)Sc 26 1311. 0.00000 3.37655 1311. RY (76)Sc 26 1312. 0.00000 3.39698 1312. RY (77)Sc 26 1313. 0.00000 3.65194 1313. RY (78)Sc 26 Checkpoint orbital transformation(s) sent to host program NBO analysis completed in 58560.85 CPU seconds (8577 wall seconds) Maximum scratch memory used by NBO was 15088039 words (115.11 MB) Maximum scratch memory used by G16NBO was 3463496 words (26.42 MB) Opening RunExU unformatted file "/rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EUF" Read unf file /rds/general/user/rzepa/ephemeral/1700165.pbs-7/Gau-1016952.EUF: Label Gaussian matrix elements IVers= 2 NLab= 2 Version=ES64L-G16RevC.01 Title CYPTIS10 NAtoms= 26 NBasis= 1313 NBsUse= 1313 ICharg= -1 Multip= 1 NE= 172 Len12L=8 Len4L=8 IOpCl= 1 ICGU=112 GAUSSIAN SCALARS NI= 1 NR= 1 NTot= 1 LenBuf= 2 NRI=1 N= 1000 ALPHA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1313 LenBuf= 4000 NRI=1 N= 1313 BETA ORBITAL ENERGIES NI= 0 NR= 1 NTot= 1313 LenBuf= 4000 NRI=1 N= 1313 ALPHA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1723969 LenBuf= 4000 NRI=1 N= 1313 1313 Store file 10524 Len= 1723969. BETA MO COEFFICIENTS NI= 0 NR= 1 NTot= 1723969 LenBuf= 4000 NRI=1 N= 1313 1313 Store file 10526 Len= 1723969. NPA CHARGES NI= 0 NR= 1 NTot= 26 LenBuf= 4000 NRI=1 N= 26 Recovered energy= -3139.04114620 dipole= -1.643367115419 0.628647694187 -0.103454099753 Unable to Open any file for archive entry. 1\1\GINC-CX3-15-8\SP\UMN15L\def2QZVPP\C10H10S5Sc1(1-)\RZEPA\14-Feb-202 6\0\\# def2qzvpp umn15l pop(savenbos,nbo7read)\\CYPTIS10\\-1,1\C,0,-0. 819358,2.089826,-1.509853\C,0,-2.117499,2.101032,-0.936962\C,0,-1.9777 13,2.319946,0.465113\C,0,-0.592712,2.452113,0.749252\C,0,0.123308,2.30 39,-0.466664\C,0,-1.727933,-2.330438,0.409484\C,0,-2.259877,-1.962072, -0.855004\C,0,-3.206668,-0.922591,-0.650527\C,0,-3.266528,-0.652756,0. 745273\C,0,-2.35459,-1.52502,1.399525\H,0,-0.579131,1.912664,-2.55807\ H,0,-3.05569,1.949619,-1.469284\H,0,-2.790173,2.370524,1.189254\H,0,-0 .147798,2.595261,1.733594\H,0,1.204806,2.324478,-0.575432\H,0,-0.93997 2,-3.062519,0.584315\H,0,-1.973484,-2.388035,-1.816829\H,0,-3.783147,- 0.421312,-1.426563\H,0,-3.894103,0.096478,1.22584\H,0,-2.149768,-1.553 674,2.47024\S,0,0.609235,-1.098557,-1.771214\S,0,2.398626,-0.093053,-1 .683788\S,0,3.260731,-0.594146,0.108482\S,0,2.358145,0.495678,1.594979 \S,0,0.601895,-0.472676,2.039893\Sc,0,-0.969153,0.05414,-0.003263\\Ver sion=ES64L-G16RevC.01\State=1-A\HF=-3139.0411462\S2=0.\S2-1=0.\S2A=0.\ RMSD=4.065e-09\Dipole=-1.6433672,0.6286476,-0.1034541\Quadrupole=-3.02 37411,1.063057,1.9606841,0.0565312,0.0292888,-0.0219646\PG=C01 [X(C10H 10S5Sc1)]\\@ The archive entry for this job was punched. Once you get people laughing, they're listening and you can tell them almost anything. -- Herb Gardner 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 407 to matrix element file. Write SHELL TYPES from file 0 offset 0 length 407 to matrix element file. Write NUMBER OF PRIMITIVES PER SHELL from file 0 offset 0 length 407 to matrix element file. Write PRIMITIVE EXPONENTS from file 0 offset 0 length 681 to matrix element file. Write CONTRACTION COEFFICIENTS from file 0 offset 0 length 681 to matrix element file. Write P(S=P) CONTRACTION COEFFICIENTS from file 0 offset 0 length 681 to matrix element file. Write COORDINATES OF EACH SHELL from file 0 offset 0 length 1221 to matrix element file. Write BONDS PER ATOM from file 0 offset 0 length 26 to matrix element file. Write BONDED ATOMS from file 0 offset 0 length 72 to matrix element file. Write BOND TYPES from file 0 offset 0 length 72 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 26 to matrix element file. Write ONIOM ATOM MODIFIERS from file 0 offset 0 length 26 to matrix element file. Write ONIOM ATOM TYPES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK ATOMS from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK CHARGES from file 0 offset 0 length 26 to matrix element file. Write ONIOM LINK DISTANCES from file 0 offset 0 length 104 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 26 to matrix element file. Write INTEGER ISO from file 0 offset 0 length 26 to matrix element file. Write INTEGER SPIN from file 0 offset 0 length 26 to matrix element file. Write REAL ZEFFECTIVE from file 0 offset 0 length 26 to matrix element file. Write REAL QUADRUPOLEMOMENT from file 0 offset 0 length 26 to matrix element file. Write REAL GFACTOR from file 0 offset 0 length 26 to matrix element file. Write REAL ZNUCLEAR from file 0 offset 0 length 26 to matrix element file. Write MULLIKEN CHARGES from file 0 offset 0 length 26 to matrix element file. Write NUCLEAR GRADIENT from file 10584 offset 0 length 78 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 78 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 862641 to matrix element file. Write CORE HAMILTONIAN ALPHA from file 10515 offset 0 length 862641 to matrix element file. Write CORE HAMILTONIAN BETA from file 10515 offset 862641 length 862641 to matrix element file. Write KINETIC ENERGY from file 10516 offset 0 length 862641 to matrix element file. Write ORTHOGONAL BASIS from file 10685 offset 0 length 1723969 to matrix element file. Write DIPOLE INTEGRALS from file 10518 offset 0 length 2587923 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 1313 to matrix element file. Write BETA ORBITAL ENERGIES from file 0 offset 0 length 1313 to matrix element file. Write ALPHA MO COEFFICIENTS from file 10524 offset 0 length 1723969 to matrix element file. Write BETA MO COEFFICIENTS from file 10526 offset 0 length 1723969 to matrix element file. Write ALPHA DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write BETA DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write ALPHA FOCK MATRIX from file 10536 offset 0 length 862641 to matrix element file. Write BETA FOCK MATRIX from file 10538 offset 0 length 862641 to matrix element file. Write ENERGY-WEIGHTED DENSITY from file 10571 offset 0 length 862641 to matrix element file. Write ALPHA SCF DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. Write BETA SCF DENSITY MATRIX from file 0 offset 0 length 862641 to matrix element file. No 2e integrals to process. Job cpu time: 13 days 13 hours 12 minutes 42.3 seconds. Elapsed time: 0 days 2 hours 41 minutes 53.8 seconds. File lengths (MBytes): RWF= 1704 Int= 0 D2E= 0 Chk= 128 Scr= 16 Normal termination of Gaussian 16 at Sat Feb 14 22:07:31 2026.