Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/395287/Gau-3279767.inp" -scrdir="/scratch/webmo-1704971/395287/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 3279768. 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 24-Jul-2026 ****************************************** %NProcShared=16 Will use up to 16 processors via shared memory. %Mem=88GB ---------------------------------------------------- #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) ---------------------------------------------------- 1/38=1,172=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=4,6=6,7=112,11=2,24=10,25=1,30=1,74=-5/1,2,3; 4//1; 5/5=2,38=5/2; 6/7=3,28=1,40=2/1,7; 99/5=1,9=1/99; ----------------- C2H6S ethanethiol ----------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 S 2 B2 1 A1 H 3 B3 2 A2 1 D1 0 H 2 B4 1 A3 3 D2 0 H 2 B5 1 A4 3 D3 0 H 1 B6 2 A5 3 D4 0 H 1 B7 2 A6 3 D5 0 H 1 B8 2 A7 3 D6 0 Variables: B1 1.52339 B2 1.84689 B3 1.3437 B4 1.08981 B5 1.08981 B6 1.09263 B7 1.09202 B8 1.09202 A1 109.36065 A2 97.07381 A3 110.67938 A4 110.67938 A5 110.01432 A6 111.30003 A7 111.30003 D1 180. D2 119.63769 D3 -119.63769 D4 180. D5 -60.35116 D6 60.35116 Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 0.000000 0.000000 2 6 0 0.000000 0.000000 1.523388 3 16 0 1.742449 0.000000 2.135656 4 1 0 1.456503 0.000000 3.448576 5 1 0 -0.504203 0.886200 1.908241 6 1 0 -0.504203 -0.886200 1.908241 7 1 0 -1.026643 0.000000 -0.373958 8 1 0 0.503301 0.884215 -0.396677 9 1 0 0.503301 -0.884215 -0.396677 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.523388 0.000000 3 S 2.756294 1.846890 0.000000 4 H 3.743538 2.414073 1.343698 0.000000 5 H 2.163551 1.089809 2.425802 2.646195 0.000000 6 H 2.163551 1.089809 2.425802 2.646195 1.772400 7 H 1.092630 2.157294 3.737116 4.558265 2.503343 8 H 1.092017 2.172970 2.954664 4.059113 2.515495 9 H 1.092017 2.172970 2.954664 4.059113 3.076050 6 7 8 9 6 H 0.000000 7 H 2.503343 0.000000 8 H 3.076050 1.767224 0.000000 9 H 2.515495 1.767224 1.768430 0.000000 Stoichiometry C2H6S Framework group CS[SG(C2H2S),X(H4)] Deg. of freedom 13 Full point group CS NOp 2 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 1.518002 0.707536 -0.000000 2 6 0 -0.000000 0.835520 -0.000000 3 16 0 -0.756492 -0.849331 0.000000 4 1 0 -2.040747 -0.454093 -0.000000 5 1 0 -0.341133 1.370273 0.886200 6 1 0 -0.341133 1.370273 -0.886200 7 1 0 1.976889 1.699132 -0.000000 8 1 0 1.870993 0.172688 0.884215 9 1 0 1.870993 0.172688 -0.884215 --------------------------------------------------------------------- Rotational constants (GHZ): 28.7021158 5.3729006 4.7971126 Standard basis: 6-311+G(2d,p) (5D, 7F) AO basis set in the form of general basis input (Overlap normalization): 1 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 2 0 S 6 1.00 0.000000000000 0.4563240000D+04 0.1966650249D-02 0.6820240000D+03 0.1523060193D-01 0.1549730000D+03 0.7612690966D-01 0.4445530000D+02 0.2608010331D+00 0.1302900000D+02 0.6164620782D+00 0.1827730000D+01 0.2210060280D+00 SP 3 1.00 0.000000000000 0.2096420000D+02 0.1146600807D+00 0.4024869267D-01 0.4803310000D+01 0.9199996477D+00 0.2375939567D+00 0.1459330000D+01 -0.3030682134D-02 0.8158538515D+00 SP 1 1.00 0.000000000000 0.4834560000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.1455850000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4380000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1252000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3130000000D+00 0.1000000000D+01 **** 3 0 S 6 1.00 0.000000000000 0.9341340000D+05 0.7429999567D-03 0.1396170000D+05 0.5792999662D-02 0.3169910000D+04 0.2995399825D-01 0.9024560000D+03 0.1190279931D+00 0.2971580000D+03 0.3684319785D+00 0.1087020000D+03 0.5772989663D+00 S 3 1.00 0.000000000000 0.1087020000D+03 0.1431860600D+00 0.4315530000D+02 0.6244652619D+00 0.1810790000D+02 0.2833661188D+00 S 1 1.00 0.000000000000 0.5560090000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.2131830000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.4204030000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1360450000D+00 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4050000000D-01 0.1000000000D+01 0.1000000000D+01 P 4 1.00 0.000000000000 0.4950400000D+03 0.8309002513D-02 0.1172210000D+03 0.6402401937D-01 0.3777490000D+02 0.2776140840D+00 0.1405840000D+02 0.7450762254D+00 P 2 1.00 0.000000000000 0.5565740000D+01 0.6137116720D+00 0.2262970000D+01 0.4438177628D+00 P 1 1.00 0.000000000000 0.8079940000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.2774600000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7714100000D-01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1300000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3250000000D+00 0.1000000000D+01 **** 4 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 5 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 6 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 7 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 8 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 9 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** There are 91 symmetry adapted cartesian basis functions of A' symmetry. There are 40 symmetry adapted cartesian basis functions of A" symmetry. There are 85 symmetry adapted basis functions of A' symmetry. There are 40 symmetry adapted basis functions of A" symmetry. 125 basis functions, 188 primitive gaussians, 131 cartesian basis functions 17 alpha electrons 17 beta electrons nuclear repulsion energy 106.9223238851 Hartrees. NAtoms= 9 NActive= 9 NUniq= 7 SFac= 1.65D+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. NBasis= 125 RedAO= T EigKep= 1.44D-04 NBF= 85 40 NBsUse= 125 1.00D-06 EigRej= -1.00D+00 NBFU= 85 40 ExpMin= 4.05D-02 ExpMax= 9.34D+04 ExpMxC= 3.17D+03 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 402 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 402 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 orbital symmetries: Occupied (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') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=46827170. 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. SCF Done: E(RB3LYP) = -478.073171482 A.U. after 11 cycles NFock= 11 Conv=0.50D-08 -V/T= 2.0021 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A') (A') (A') (A') (A') (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A') (A") 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') The electronic state is 1-A'. Alpha occ. eigenvalues -- -88.84160 -10.20646 -10.17344 -7.92804 -5.89190 Alpha occ. eigenvalues -- -5.88851 -5.88176 -0.80371 -0.70843 -0.60738 Alpha occ. eigenvalues -- -0.46715 -0.46275 -0.39830 -0.37175 -0.37109 Alpha occ. eigenvalues -- -0.32896 -0.23984 Alpha virt. eigenvalues -- -0.01094 0.01324 0.02064 0.03955 0.04057 Alpha virt. eigenvalues -- 0.05773 0.07179 0.07485 0.08031 0.08461 Alpha virt. eigenvalues -- 0.09543 0.11340 0.13031 0.14204 0.15672 Alpha virt. eigenvalues -- 0.17634 0.18621 0.21677 0.23725 0.27147 Alpha virt. eigenvalues -- 0.31162 0.32090 0.33567 0.35784 0.36640 Alpha virt. eigenvalues -- 0.37927 0.39806 0.42148 0.42472 0.45118 Alpha virt. eigenvalues -- 0.52162 0.53256 0.53437 0.58212 0.59194 Alpha virt. eigenvalues -- 0.59490 0.61147 0.65431 0.70029 0.74131 Alpha virt. eigenvalues -- 0.77397 0.78187 0.81019 0.86266 0.90768 Alpha virt. eigenvalues -- 0.91594 1.01912 1.03789 1.14642 1.17745 Alpha virt. eigenvalues -- 1.23516 1.24511 1.30499 1.45162 1.47791 Alpha virt. eigenvalues -- 1.49029 1.59997 1.67139 1.70163 1.73547 Alpha virt. eigenvalues -- 1.73659 1.77499 1.91323 1.94888 2.02503 Alpha virt. eigenvalues -- 2.03553 2.13006 2.14110 2.19955 2.22870 Alpha virt. eigenvalues -- 2.24823 2.27028 2.28341 2.29463 2.30491 Alpha virt. eigenvalues -- 2.38060 2.41328 2.41909 2.47116 2.63246 Alpha virt. eigenvalues -- 2.66380 2.70827 2.73741 2.76715 2.80909 Alpha virt. eigenvalues -- 3.10569 3.16964 3.21129 3.22903 3.29090 Alpha virt. eigenvalues -- 3.35634 3.36983 3.40499 3.45541 3.51637 Alpha virt. eigenvalues -- 3.56176 3.77019 4.19230 4.21202 4.22114 Alpha virt. eigenvalues -- 4.42192 7.93294 17.32853 17.39081 17.57076 Alpha virt. eigenvalues -- 23.84627 23.97742 189.09987 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -88.84160 -10.20646 -10.17344 -7.92804 -5.89190 1 1 C 1S -0.00000 0.00202 0.56296 -0.00000 0.00000 2 2S 0.00000 0.00161 0.46314 0.00001 -0.00001 3 2PX -0.00000 -0.00048 -0.00037 0.00001 -0.00007 4 2PY -0.00002 0.00001 0.00006 -0.00017 -0.00009 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00001 0.00076 0.01985 -0.00030 0.00015 7 3PX 0.00002 0.00089 0.00159 0.00014 0.00041 8 3PY 0.00010 0.00028 -0.00012 0.00114 0.00045 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 0.00008 0.00423 -0.00858 0.00233 -0.00152 11 4PX -0.00005 -0.00031 0.00240 -0.00145 0.00108 12 4PY 0.00002 0.00060 0.00024 -0.00025 0.00096 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S -0.00301 0.00118 -0.01286 -0.05515 -0.00621 15 5PX 0.00081 -0.00033 0.00190 0.01488 0.00173 16 5PY 0.00002 0.00031 -0.00009 0.00050 -0.00055 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00001 0.00003 0.00008 0.00012 0.00006 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00002 -0.00012 0.00001 0.00002 22 6D-2 -0.00001 -0.00002 0.00003 -0.00009 -0.00004 23 7D 0 -0.00013 -0.00006 0.00072 -0.00169 -0.00028 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 -0.00006 -0.00164 -0.00142 -0.00070 -0.00043 27 7D-2 0.00008 0.00079 0.00016 0.00123 0.00001 28 2 C 1S 0.00000 0.56303 -0.00203 -0.00001 -0.00003 29 2S -0.00001 0.46325 -0.00173 -0.00007 -0.00009 30 2PX -0.00001 -0.00007 0.00046 -0.00020 0.00001 31 2PY -0.00003 -0.00087 -0.00007 -0.00051 0.00005 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00005 0.01940 0.00064 0.00076 -0.00052 34 3PX 0.00000 -0.00052 -0.00061 0.00016 -0.00041 35 3PY 0.00007 0.00283 0.00033 0.00114 -0.00083 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00028 -0.01088 0.00468 0.00308 0.00615 38 4PX -0.00014 -0.00152 -0.00001 -0.00298 -0.00010 39 4PY 0.00015 0.00364 -0.00029 0.00255 -0.00404 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S 0.00352 -0.00424 0.01130 0.06419 0.00320 42 5PX 0.00077 0.00043 0.00269 0.01416 0.00261 43 5PY -0.00040 -0.00073 -0.00073 -0.00744 0.00145 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00002 0.00020 -0.00001 -0.00020 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 -0.00002 -0.00002 0.00009 -0.00011 -0.00003 49 6D-2 0.00002 -0.00023 -0.00006 0.00005 0.00013 50 7D 0 0.00018 0.00267 0.00089 0.00268 -0.00079 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00007 0.00008 -0.00132 0.00094 -0.00087 54 7D-2 -0.00011 -0.00136 0.00014 -0.00138 0.00016 55 3 S 1S 0.41089 -0.00000 -0.00000 -0.11961 -0.00002 56 2S 0.65437 -0.00001 0.00000 -0.32014 -0.00006 57 3S 0.01535 0.00008 -0.00001 0.51730 0.00012 58 4S -0.00456 -0.00021 0.00002 0.59276 0.00002 59 5S 0.00179 0.00004 0.00004 0.05520 0.00102 60 6S -0.00116 0.00455 -0.00130 -0.02431 -0.00535 61 7S -0.00036 0.00060 -0.00165 -0.00587 0.00206 62 7PX 0.00005 -0.00051 -0.00034 0.00103 -0.00150 63 7PY 0.00005 -0.00063 -0.00050 0.00105 0.00025 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX -0.00004 0.00000 0.00000 -0.00110 0.34359 66 8PY 0.00009 0.00000 0.00000 0.00224 0.15692 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00001 -0.00002 -0.00000 -0.00240 0.64325 69 9PY -0.00003 -0.00005 -0.00002 0.00491 0.29371 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00002 0.00004 0.00008 -0.00006 0.05551 72 10PY 0.00001 0.00008 0.00012 0.00030 0.02575 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX -0.00012 0.00072 -0.00061 -0.00098 -0.00962 75 11PY 0.00016 0.00175 -0.00065 0.00277 -0.00597 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00004 0.00084 0.00064 0.00063 0.00432 78 12PY -0.00037 0.00192 -0.00035 -0.00674 0.00018 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 -0.00002 -0.00003 0.00006 -0.00091 -0.00007 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 -0.00000 -0.00013 -0.00007 0.00015 -0.00088 84 13D-2 0.00001 0.00009 -0.00001 0.00026 0.00086 85 14D 0 -0.00004 -0.00051 -0.00016 -0.00039 0.00056 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00007 0.00004 0.00042 0.00061 0.00113 89 14D-2 -0.00005 0.00029 -0.00025 -0.00041 -0.00149 90 4 H 1S 0.00003 0.00002 0.00000 0.00015 -0.00035 91 2S -0.00025 -0.00066 -0.00049 -0.00273 -0.00156 92 3S 0.00035 0.00005 0.00096 0.00602 0.00242 93 4PX -0.00016 -0.00013 -0.00011 -0.00176 -0.00012 94 4PY 0.00005 0.00003 0.00009 0.00052 0.00025 95 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 5 H 1S -0.00001 0.00008 -0.00004 -0.00022 0.00008 97 2S -0.00016 -0.00496 -0.00129 -0.00197 -0.00042 98 3S -0.00020 0.00353 -0.00032 -0.00362 0.00040 99 4PX -0.00002 -0.00077 -0.00009 -0.00027 0.00003 100 4PY 0.00003 0.00117 0.00017 0.00025 0.00010 101 4PZ 0.00002 0.00201 0.00023 0.00027 0.00003 102 6 H 1S -0.00001 0.00008 -0.00004 -0.00022 0.00008 103 2S -0.00016 -0.00496 -0.00129 -0.00197 -0.00042 104 3S -0.00020 0.00353 -0.00032 -0.00362 0.00040 105 4PX -0.00002 -0.00077 -0.00009 -0.00027 0.00003 106 4PY 0.00003 0.00117 0.00017 0.00025 0.00010 107 4PZ -0.00002 -0.00201 -0.00023 -0.00027 -0.00003 108 7 H 1S -0.00001 -0.00013 0.00022 -0.00011 0.00000 109 2S -0.00021 -0.00219 -0.00399 -0.00268 -0.00089 110 3S 0.00017 -0.00013 0.00353 0.00303 0.00034 111 4PX 0.00002 0.00017 0.00083 0.00018 0.00011 112 4PY 0.00004 0.00043 0.00202 0.00047 0.00018 113 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 8 H 1S 0.00001 -0.00003 0.00021 0.00019 0.00010 115 2S 0.00004 -0.00043 -0.00373 0.00021 -0.00016 116 3S 0.00006 0.00009 0.00371 0.00123 0.00021 117 4PX 0.00000 0.00000 0.00059 0.00003 0.00012 118 4PY 0.00003 0.00001 -0.00107 0.00036 0.00008 119 4PZ -0.00000 0.00016 0.00178 -0.00003 0.00006 120 9 H 1S 0.00001 -0.00003 0.00021 0.00019 0.00010 121 2S 0.00004 -0.00043 -0.00373 0.00021 -0.00016 122 3S 0.00006 0.00009 0.00371 0.00123 0.00021 123 4PX 0.00000 0.00000 0.00059 0.00003 0.00012 124 4PY 0.00003 0.00001 -0.00107 0.00036 0.00008 125 4PZ 0.00000 -0.00016 -0.00178 0.00003 -0.00006 6 7 8 9 10 O O O O O Eigenvalues -- -5.88851 -5.88176 -0.80371 -0.70843 -0.60738 1 1 C 1S 0.00000 0.00000 -0.05956 0.07450 0.05174 2 2S -0.00001 0.00000 -0.09191 0.11557 0.08064 3 2PX -0.00003 0.00000 -0.02695 -0.00344 -0.06254 4 2PY 0.00002 0.00000 0.00025 -0.00673 0.01733 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S 0.00019 0.00000 0.23638 -0.30285 -0.21537 7 3PX 0.00007 0.00000 -0.04697 0.00182 -0.08656 8 3PY -0.00005 0.00000 -0.00231 -0.01268 0.02298 9 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 10 4S -0.00098 0.00000 0.13290 -0.17951 -0.14056 11 4PX 0.00075 0.00000 -0.01701 -0.00559 -0.05412 12 4PY -0.00001 0.00000 -0.00125 -0.00398 0.00976 13 4PZ 0.00000 -0.00039 0.00000 0.00000 0.00000 14 5S -0.00331 0.00000 0.13867 0.06725 -0.15532 15 5PX 0.00035 0.00000 -0.03171 -0.02449 0.04037 16 5PY -0.00038 0.00000 -0.00127 -0.00407 0.00090 17 5PZ 0.00000 0.00041 0.00000 0.00000 0.00000 18 6D 0 -0.00000 0.00000 -0.00235 0.00024 -0.00348 19 6D+1 0.00000 -0.00002 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00003 0.00000 0.00000 0.00000 21 6D+2 0.00006 0.00000 0.00344 -0.00030 0.00488 22 6D-2 -0.00000 0.00000 -0.00012 0.00088 -0.00166 23 7D 0 0.00002 0.00000 -0.00051 0.00396 -0.00122 24 7D+1 0.00000 -0.00004 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00025 0.00000 0.00000 0.00000 26 7D+2 -0.00029 0.00000 0.00915 0.00020 0.00793 27 7D-2 0.00034 0.00000 -0.00181 0.00106 -0.00486 28 2 C 1S -0.00003 0.00000 -0.08018 0.00858 -0.07300 29 2S -0.00008 0.00000 -0.12411 0.01332 -0.11413 30 2PX 0.00004 0.00000 0.01167 -0.05540 -0.03553 31 2PY 0.00002 0.00000 -0.01237 -0.02908 0.05198 32 2PZ 0.00000 -0.00006 0.00000 0.00000 0.00000 33 3S -0.00051 0.00000 0.32544 -0.03631 0.31134 34 3PX -0.00035 0.00000 0.02023 -0.08511 -0.04675 35 3PY -0.00059 0.00000 -0.03396 -0.04763 0.06421 36 3PZ 0.00000 0.00032 0.00000 0.00000 0.00000 37 4S 0.00666 0.00000 0.15801 -0.02893 0.19896 38 4PX -0.00172 0.00000 0.00845 -0.03661 -0.03660 39 4PY -0.00242 0.00000 -0.01214 -0.02259 0.04003 40 4PZ 0.00000 0.00111 0.00000 0.00000 0.00000 41 5S -0.00201 0.00000 -0.13876 -0.11497 0.19525 42 5PX 0.00219 0.00000 -0.03929 -0.01461 0.03082 43 5PY 0.00204 0.00000 0.01911 0.02069 -0.01313 44 5PZ 0.00000 0.00018 0.00000 0.00000 0.00000 45 6D 0 -0.00004 0.00000 -0.00224 0.00004 0.00535 46 6D+1 0.00000 0.00002 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00003 0.00000 0.00000 0.00000 48 6D+2 -0.00004 0.00000 0.00159 -0.00632 -0.00105 49 6D-2 -0.00003 0.00000 0.00069 0.00382 -0.00272 50 7D 0 -0.00025 0.00000 -0.01429 -0.00420 0.00191 51 7D+1 0.00000 -0.00056 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00033 0.00000 0.00000 0.00000 53 7D+2 -0.00010 0.00000 -0.00009 -0.01014 -0.00165 54 7D-2 0.00124 0.00000 0.00635 0.00989 0.00033 55 3 S 1S 0.00090 0.00000 0.01741 0.02445 -0.01397 56 2S 0.00246 0.00000 0.04959 0.06975 -0.03993 57 3S -0.00415 0.00000 -0.10661 -0.15081 0.08700 58 4S -0.00465 0.00000 -0.17968 -0.25394 0.14555 59 5S 0.00145 0.00000 0.31768 0.46128 -0.27039 60 6S -0.00537 0.00000 0.19600 0.29328 -0.19252 61 7S 0.00544 0.00000 0.01602 0.03071 -0.03503 62 7PX 0.00143 0.00000 0.00091 -0.00231 -0.00215 63 7PY 0.00046 0.00000 0.00049 0.00414 -0.00920 64 7PZ 0.00000 -0.00232 0.00000 0.00000 0.00000 65 8PX -0.15698 0.00000 -0.00211 0.01180 -0.01357 66 8PY 0.34376 0.00000 -0.01571 -0.00915 -0.01099 67 8PZ 0.00000 0.37828 0.00000 0.00000 0.00000 68 9PX -0.29382 0.00000 -0.00385 0.02281 -0.02622 69 9PY 0.64329 0.00000 -0.03036 -0.01792 -0.02080 70 9PZ 0.00000 0.70746 0.00000 0.00000 0.00000 71 10PX -0.02477 0.00000 0.00296 -0.03167 0.03708 72 10PY 0.05517 0.00000 0.03923 0.02523 0.02633 73 10PZ 0.00000 0.05891 0.00000 0.00000 0.00000 74 11PX 0.00276 0.00000 0.01816 -0.04045 0.05250 75 11PY -0.00993 0.00000 0.06361 0.03156 0.05710 76 11PZ 0.00000 -0.00786 0.00000 0.00000 0.00000 77 12PX -0.00225 0.00000 -0.00694 -0.00805 0.01054 78 12PY 0.00208 0.00000 0.01481 0.01467 0.00241 79 12PZ 0.00000 0.00408 0.00000 0.00000 0.00000 80 13D 0 -0.00070 0.00000 -0.00838 -0.00783 0.00130 81 13D+1 0.00000 -0.00038 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00097 0.00000 0.00000 0.00000 83 13D+2 -0.00077 0.00000 -0.00176 0.00365 -0.01216 84 13D-2 -0.00073 0.00000 0.00488 -0.00313 0.00655 85 14D 0 0.00097 0.00000 -0.01414 -0.01051 -0.00046 86 14D+1 0.00000 0.00003 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00058 0.00000 0.00000 0.00000 88 14D+2 0.00112 0.00000 -0.01057 -0.00108 -0.02221 89 14D-2 -0.00019 0.00000 0.01314 -0.00237 0.00865 90 4 H 1S 0.00018 0.00000 0.03713 0.07354 -0.05422 91 2S 0.00139 0.00000 0.05243 0.09962 -0.07651 92 3S -0.00101 0.00000 -0.01640 -0.00543 -0.00787 93 4PX 0.00007 0.00000 0.01130 0.01844 -0.01235 94 4PY 0.00036 0.00000 -0.00292 -0.00579 0.00488 95 4PZ 0.00000 0.00025 0.00000 0.00000 0.00000 96 5 H 1S 0.00011 0.00002 0.05139 -0.00494 0.08900 97 2S -0.00090 -0.00059 0.07034 -0.00212 0.11719 98 3S -0.00021 -0.00051 -0.00253 0.00588 -0.00122 99 4PX 0.00007 0.00008 0.00457 -0.00261 0.00371 100 4PY 0.00027 0.00024 -0.00746 -0.00137 -0.00637 101 4PZ 0.00001 0.00002 -0.00997 0.00021 -0.01431 102 6 H 1S 0.00011 -0.00002 0.05139 -0.00494 0.08900 103 2S -0.00090 0.00059 0.07034 -0.00212 0.11719 104 3S -0.00021 0.00051 -0.00253 0.00588 -0.00122 105 4PX 0.00007 -0.00008 0.00457 -0.00261 0.00371 106 4PY 0.00027 -0.00024 -0.00746 -0.00137 -0.00637 107 4PZ -0.00001 0.00002 0.00997 -0.00021 0.01431 108 7 H 1S 0.00000 0.00000 0.03609 -0.06247 -0.05315 109 2S -0.00027 0.00000 0.04800 -0.07177 -0.06327 110 3S 0.00040 0.00000 -0.01021 -0.00297 -0.00452 111 4PX -0.00005 0.00000 -0.00494 0.00457 0.00055 112 4PY 0.00006 0.00000 -0.00760 0.01031 0.00912 113 4PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 114 8 H 1S -0.00001 0.00000 0.03697 -0.05666 -0.06459 115 2S 0.00006 0.00026 0.04250 -0.06876 -0.08407 116 3S 0.00018 -0.00037 -0.00784 0.00007 -0.00271 117 4PX 0.00003 0.00004 -0.00355 0.00346 0.00113 118 4PY 0.00000 0.00000 0.00299 -0.00655 -0.00530 119 4PZ -0.00002 -0.00002 -0.00623 0.00908 0.00991 120 9 H 1S -0.00001 -0.00000 0.03697 -0.05666 -0.06459 121 2S 0.00006 -0.00026 0.04250 -0.06876 -0.08407 122 3S 0.00018 0.00037 -0.00784 0.00007 -0.00271 123 4PX 0.00003 -0.00004 -0.00355 0.00346 0.00113 124 4PY 0.00000 -0.00000 0.00299 -0.00655 -0.00530 125 4PZ 0.00002 -0.00002 0.00623 -0.00908 -0.00991 11 12 13 14 15 O O O O O Eigenvalues -- -0.46715 -0.46275 -0.39830 -0.37175 -0.37109 1 1 C 1S 0.00000 0.00489 -0.00252 0.00989 0.00000 2 2S 0.00000 0.00760 -0.00432 0.01599 0.00000 3 2PX 0.00000 -0.05786 -0.12142 0.12835 0.00000 4 2PY 0.00000 -0.11515 0.13412 0.09144 0.00000 5 2PZ 0.12776 0.00000 0.00000 0.00000 0.16519 6 3S 0.00000 -0.02119 0.01663 -0.04909 0.00000 7 3PX 0.00000 -0.08501 -0.17780 0.18347 0.00000 8 3PY 0.00000 -0.16013 0.18618 0.12187 0.00000 9 3PZ 0.17669 0.00000 0.00000 0.00000 0.22445 10 4S 0.00000 -0.00785 -0.01276 -0.01491 0.00000 11 4PX 0.00000 -0.05820 -0.11917 0.11772 0.00000 12 4PY 0.00000 -0.10091 0.13024 0.08599 0.00000 13 4PZ 0.11339 0.00000 0.00000 0.00000 0.16671 14 5S 0.00000 0.02302 -0.04929 -0.02829 0.00000 15 5PX 0.00000 -0.00594 0.00549 0.02112 0.00000 16 5PY 0.00000 -0.00938 0.01253 0.01408 0.00000 17 5PZ 0.00874 0.00000 0.00000 0.00000 0.02226 18 6D 0 0.00000 0.00285 -0.01095 -0.00150 0.00000 19 6D+1 -0.00034 0.00000 0.00000 0.00000 0.01003 20 6D-1 -0.00610 0.00000 0.00000 0.00000 -0.01075 21 6D+2 0.00000 0.00595 0.00494 -0.00967 0.00000 22 6D-2 0.00000 -0.00133 0.00485 0.00767 0.00000 23 7D 0 0.00000 -0.00170 -0.00960 0.00247 0.00000 24 7D+1 -0.01422 0.00000 0.00000 0.00000 0.01873 25 7D-1 0.00380 0.00000 0.00000 0.00000 -0.01018 26 7D+2 0.00000 0.00702 0.00637 -0.00558 0.00000 27 7D-2 0.00000 0.00511 0.00051 0.00889 0.00000 28 2 C 1S 0.00000 -0.00720 -0.00149 0.00790 0.00000 29 2S 0.00000 -0.01161 -0.00269 0.01273 0.00000 30 2PX 0.00000 0.03855 0.14107 -0.12147 0.00000 31 2PY 0.00000 -0.11354 -0.01917 -0.03065 0.00000 32 2PZ 0.16384 0.00000 0.00000 0.00000 -0.12429 33 3S 0.00000 0.03725 0.01106 -0.03645 0.00000 34 3PX 0.00000 0.05382 0.20664 -0.18047 0.00000 35 3PY 0.00000 -0.17084 -0.02334 -0.04931 0.00000 36 3PZ 0.22706 0.00000 0.00000 0.00000 -0.16909 37 4S 0.00000 -0.00135 -0.01658 -0.03815 0.00000 38 4PX 0.00000 0.03735 0.14342 -0.12637 0.00000 39 4PY 0.00000 -0.11211 -0.02386 -0.03164 0.00000 40 4PZ 0.12823 0.00000 0.00000 0.00000 -0.12116 41 5S 0.00000 -0.05301 -0.03396 0.04365 0.00000 42 5PX 0.00000 -0.00492 0.02472 0.00142 0.00000 43 5PY 0.00000 0.00600 0.01049 -0.00456 0.00000 44 5PZ 0.01041 0.00000 0.00000 0.00000 -0.01842 45 6D 0 0.00000 -0.00551 -0.00621 0.00163 0.00000 46 6D+1 -0.00193 0.00000 0.00000 0.00000 0.01024 47 6D-1 0.00737 0.00000 0.00000 0.00000 -0.00799 48 6D+2 0.00000 -0.00166 0.00612 -0.00984 0.00000 49 6D-2 0.00000 -0.00081 0.00300 0.00567 0.00000 50 7D 0 0.00000 -0.00819 -0.00773 -0.00102 0.00000 51 7D+1 0.00426 0.00000 0.00000 0.00000 0.02555 52 7D-1 -0.00957 0.00000 0.00000 0.00000 -0.00220 53 7D+2 0.00000 -0.01174 -0.00074 -0.01850 0.00000 54 7D-2 0.00000 -0.01092 0.00579 0.01631 0.00000 55 3 S 1S 0.00000 0.00156 0.00676 0.00674 0.00000 56 2S 0.00000 0.00444 0.01937 0.01929 0.00000 57 3S 0.00000 -0.00948 -0.04263 -0.04223 0.00000 58 4S 0.00000 -0.01740 -0.07188 -0.07270 0.00000 59 5S 0.00000 0.02870 0.13728 0.13240 0.00000 60 6S 0.00000 0.04509 0.14108 0.16509 0.00000 61 7S 0.00000 0.01875 0.06166 0.00673 0.00000 62 7PX 0.00000 -0.00780 0.00263 -0.01571 0.00000 63 7PY 0.00000 0.00325 0.02165 -0.00665 0.00000 64 7PZ -0.00519 0.00000 0.00000 0.00000 0.00596 65 8PX 0.00000 -0.05274 -0.01684 -0.05475 0.00000 66 8PY 0.00000 -0.01012 0.02518 -0.00831 0.00000 67 8PZ -0.01610 0.00000 0.00000 0.00000 0.01710 68 9PX 0.00000 -0.10084 -0.03212 -0.10459 0.00000 69 9PY 0.00000 -0.01928 0.04782 -0.01580 0.00000 70 9PZ -0.03055 0.00000 0.00000 0.00000 0.03246 71 10PX 0.00000 0.14162 0.04541 0.15146 0.00000 72 10PY 0.00000 0.02598 -0.06662 0.02120 0.00000 73 10PZ 0.04153 0.00000 0.00000 0.00000 -0.04567 74 11PX 0.00000 0.24229 0.08112 0.25724 0.00000 75 11PY 0.00000 0.05490 -0.12952 0.04851 0.00000 76 11PZ 0.08208 0.00000 0.00000 0.00000 -0.08950 77 12PX 0.00000 0.05457 0.02264 0.09481 0.00000 78 12PY 0.00000 0.01130 -0.04069 0.01435 0.00000 79 12PZ 0.02311 0.00000 0.00000 0.00000 -0.03149 80 13D 0 0.00000 0.00200 0.00466 0.00661 0.00000 81 13D+1 0.00350 0.00000 0.00000 0.00000 -0.00089 82 13D-1 0.00827 0.00000 0.00000 0.00000 -0.00752 83 13D+2 0.00000 -0.01296 0.00398 -0.02517 0.00000 84 13D-2 0.00000 0.01921 0.00545 0.01198 0.00000 85 14D 0 0.00000 -0.00314 0.00970 0.00452 0.00000 86 14D+1 0.00651 0.00000 0.00000 0.00000 0.00195 87 14D-1 0.02082 0.00000 0.00000 0.00000 -0.01840 88 14D+2 0.00000 -0.02017 0.01299 -0.04019 0.00000 89 14D-2 0.00000 0.03352 0.01359 0.01570 0.00000 90 4 H 1S 0.00000 -0.09768 -0.03080 -0.11348 0.00000 91 2S 0.00000 -0.15260 -0.04955 -0.20021 0.00000 92 3S 0.00000 -0.06991 -0.03154 -0.10877 0.00000 93 4PX 0.00000 -0.01545 -0.00329 -0.01749 0.00000 94 4PY 0.00000 0.00643 -0.00235 0.00855 0.00000 95 4PZ 0.00217 0.00000 0.00000 0.00000 -0.00297 96 5 H 1S 0.10567 -0.04732 -0.04755 0.01036 -0.09685 97 2S 0.15789 -0.05637 -0.06604 0.02109 -0.14219 98 3S 0.04151 -0.01332 -0.01960 0.00161 -0.07466 99 4PX 0.00744 -0.00005 0.00583 -0.00604 -0.00576 100 4PY -0.00976 -0.00440 0.00265 -0.00350 0.00740 101 4PZ -0.00802 0.00624 0.00619 -0.00215 0.00583 102 6 H 1S -0.10567 -0.04732 -0.04755 0.01036 0.09685 103 2S -0.15789 -0.05637 -0.06604 0.02109 0.14219 104 3S -0.04151 -0.01332 -0.01960 0.00161 0.07466 105 4PX -0.00744 -0.00005 0.00583 -0.00604 0.00576 106 4PY 0.00976 -0.00440 0.00265 -0.00350 -0.00740 107 4PZ -0.00802 -0.00624 -0.00619 0.00215 0.00583 108 7 H 1S 0.00000 -0.10906 0.06727 0.11890 0.00000 109 2S 0.00000 -0.15292 0.10030 0.17903 0.00000 110 3S 0.00000 -0.04421 0.04561 0.08522 0.00000 111 4PX 0.00000 0.00599 -0.01192 -0.00179 0.00000 112 4PY 0.00000 0.01146 -0.00351 -0.01275 0.00000 113 4PZ 0.00724 0.00000 0.00000 0.00000 0.01025 114 8 H 1S 0.08208 0.02531 -0.09051 -0.01403 0.12666 115 2S 0.11968 0.03530 -0.12850 -0.02374 0.18209 116 3S 0.02550 0.00840 -0.04569 -0.00935 0.09097 117 4PX -0.00540 -0.00527 -0.00221 0.00814 -0.00731 118 4PY 0.00796 -0.00466 0.00032 0.00325 0.01056 119 4PZ -0.00628 -0.00421 0.01248 0.00245 -0.00712 120 9 H 1S -0.08208 0.02531 -0.09051 -0.01403 -0.12666 121 2S -0.11968 0.03530 -0.12850 -0.02374 -0.18209 122 3S -0.02550 0.00840 -0.04569 -0.00935 -0.09097 123 4PX 0.00540 -0.00527 -0.00221 0.00814 0.00731 124 4PY -0.00796 -0.00466 0.00032 0.00325 -0.01056 125 4PZ -0.00628 0.00421 -0.01248 -0.00245 -0.00712 16 17 18 19 20 O O V V V Eigenvalues -- -0.32896 -0.23984 -0.01094 0.01324 0.02064 1 1 C 1S -0.00475 0.00000 -0.01928 -0.00791 0.03217 2 2S -0.00764 0.00000 -0.03201 -0.01289 0.05301 3 2PX -0.01497 0.00000 0.03101 0.01903 -0.02416 4 2PY 0.05756 0.00000 0.00007 0.01021 -0.00402 5 2PZ 0.00000 -0.00243 0.00000 0.00000 0.00000 6 3S 0.02197 0.00000 0.10682 0.04314 -0.16793 7 3PX -0.02464 0.00000 0.04293 0.03191 -0.05260 8 3PY 0.07030 0.00000 0.00290 0.01205 -0.01748 9 3PZ 0.00000 -0.00347 0.00000 0.00000 0.00000 10 4S 0.03316 0.00000 0.20015 0.06129 -0.32229 11 4PX -0.02087 0.00000 0.11064 0.11934 -0.11959 12 4PY 0.06671 0.00000 -0.01264 0.01606 0.00421 13 4PZ 0.00000 -0.01965 0.00000 0.00000 0.00000 14 5S 0.05300 0.00000 -3.78807 3.91433 -1.08548 15 5PX -0.01309 0.00000 0.85833 -1.16056 1.24655 16 5PY 0.01703 0.00000 0.03619 -0.21202 0.23556 17 5PZ 0.00000 -0.01023 0.00000 0.00000 0.00000 18 6D 0 -0.00426 0.00000 -0.00065 -0.00330 -0.00055 19 6D+1 0.00000 0.00162 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00152 0.00000 0.00000 0.00000 21 6D+2 0.00041 0.00000 0.00371 0.00067 0.00312 22 6D-2 0.00677 0.00000 -0.00137 0.00634 0.00103 23 7D 0 0.00075 0.00000 0.00272 0.00033 -0.00274 24 7D+1 0.00000 0.00412 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.00597 0.00000 0.00000 0.00000 26 7D+2 0.00729 0.00000 0.00739 -0.00290 0.04242 27 7D-2 0.01119 0.00000 0.00446 0.01718 -0.00658 28 2 C 1S -0.00671 0.00000 -0.03309 -0.02248 -0.02250 29 2S -0.01080 0.00000 -0.05429 -0.03675 -0.03665 30 2PX 0.00026 0.00000 -0.04301 -0.04434 0.00372 31 2PY -0.13219 0.00000 -0.01118 -0.07820 -0.04999 32 2PZ 0.00000 -0.05435 0.00000 0.00000 0.00000 33 3S 0.03139 0.00000 0.16929 0.11527 0.11965 34 3PX -0.00264 0.00000 -0.06354 -0.06469 -0.00977 35 3PY -0.19930 0.00000 -0.01823 -0.12157 -0.07884 36 3PZ 0.00000 -0.07128 0.00000 0.00000 0.00000 37 4S 0.05847 0.00000 0.50831 0.26449 0.09516 38 4PX -0.02981 0.00000 -0.10720 -0.01388 -0.03427 39 4PY -0.16628 0.00000 0.03028 -0.18268 -0.13399 40 4PZ 0.00000 -0.02513 0.00000 0.00000 0.00000 41 5S -0.05716 0.00000 5.17839 -2.97972 2.63053 42 5PX -0.02437 0.00000 0.77517 -1.38703 0.89571 43 5PY -0.00646 0.00000 -1.29670 -0.21184 -0.38454 44 5PZ 0.00000 0.00324 0.00000 0.00000 0.00000 45 6D 0 -0.00703 0.00000 -0.00114 0.00153 0.00306 46 6D+1 0.00000 0.00090 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.01009 0.00000 0.00000 0.00000 48 6D+2 0.00137 0.00000 0.00313 0.00190 0.00007 49 6D-2 0.00770 0.00000 0.00129 -0.00329 0.00015 50 7D 0 -0.01509 0.00000 0.01741 -0.00300 0.01400 51 7D+1 0.00000 -0.00997 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.02672 0.00000 0.00000 0.00000 53 7D+2 0.00266 0.00000 0.01600 0.02506 -0.01702 54 7D-2 0.02164 0.00000 0.00643 -0.01760 0.01315 55 3 S 1S -0.00940 0.00000 0.00372 -0.01069 -0.00356 56 2S -0.02695 0.00000 0.01072 -0.03079 -0.01025 57 3S 0.05970 0.00000 -0.02427 0.06931 0.02305 58 4S 0.09973 0.00000 -0.03975 0.11648 0.03891 59 5S -0.17982 0.00000 0.06832 -0.23951 -0.07751 60 6S -0.28714 0.00000 0.29650 -0.51424 -0.16590 61 7S -0.02727 0.00000 -2.64983 -0.38929 0.03516 62 7PX 0.01163 0.00000 -0.11781 -1.00879 0.14293 63 7PY -0.02372 0.00000 -0.77793 -0.72624 -0.40608 64 7PZ 0.00000 -0.04165 0.00000 0.00000 0.00000 65 8PX 0.01567 0.00000 0.03691 -0.01057 0.02418 66 8PY -0.07883 0.00000 0.01381 0.02502 0.00569 67 8PZ 0.00000 -0.10082 0.00000 0.00000 0.00000 68 9PX 0.02986 0.00000 0.06961 -0.02083 0.04585 69 9PY -0.15011 0.00000 0.02642 0.04613 0.00983 70 9PZ 0.00000 -0.19066 0.00000 0.00000 0.00000 71 10PX -0.04467 0.00000 -0.10348 0.03763 -0.07103 72 10PY 0.21649 0.00000 -0.04269 -0.06261 -0.00824 73 10PZ 0.00000 0.27665 0.00000 0.00000 0.00000 74 11PX -0.06865 0.00000 -0.24028 0.05012 -0.14886 75 11PY 0.39772 0.00000 -0.05978 -0.19578 -0.07033 76 11PZ 0.00000 0.56486 0.00000 0.00000 0.00000 77 12PX -0.04030 0.00000 -0.50116 0.34827 -0.51288 78 12PY 0.16404 0.00000 -0.25369 -0.04199 0.08210 79 12PZ 0.00000 0.36877 0.00000 0.00000 0.00000 80 13D 0 -0.01446 0.00000 -0.00289 -0.01393 -0.00329 81 13D+1 0.00000 -0.00374 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00179 0.00000 0.00000 0.00000 83 13D+2 -0.00231 0.00000 -0.03002 -0.01355 -0.01262 84 13D-2 0.00374 0.00000 0.02311 0.01823 0.02151 85 14D 0 -0.01950 0.00000 -0.01782 -0.03887 -0.01030 86 14D+1 0.00000 -0.01620 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00713 0.00000 0.00000 0.00000 88 14D+2 -0.01816 0.00000 -0.06035 -0.04573 -0.02975 89 14D-2 0.00821 0.00000 0.05531 0.06292 0.05186 90 4 H 1S 0.06030 0.00000 -0.04870 0.00072 -0.01403 91 2S 0.12595 0.00000 -0.15436 0.05350 -0.02420 92 3S 0.05970 0.00000 -0.27698 0.11957 -0.33008 93 4PX 0.01418 0.00000 0.00481 -0.01997 0.00163 94 4PY 0.00627 0.00000 -0.01220 -0.00573 -0.01382 95 4PZ 0.00000 0.02113 0.00000 0.00000 0.00000 96 5 H 1S -0.05729 -0.05314 0.00078 -0.00210 -0.00482 97 2S -0.07981 -0.09218 -0.05074 -0.00732 0.01309 98 3S -0.06217 -0.09855 -0.09040 0.12038 -0.08484 99 4PX -0.00280 -0.00338 -0.00053 -0.00681 0.00473 100 4PY -0.00643 0.00237 -0.00705 -0.01039 -0.00685 101 4PZ 0.00639 0.00351 -0.00729 -0.00222 0.00008 102 6 H 1S -0.05729 0.05314 0.00078 -0.00210 -0.00482 103 2S -0.07981 0.09218 -0.05074 -0.00732 0.01309 104 3S -0.06217 0.09855 -0.09040 0.12038 -0.08484 105 4PX -0.00280 0.00338 -0.00053 -0.00681 0.00473 106 4PY -0.00643 -0.00237 -0.00705 -0.01039 -0.00685 107 4PZ -0.00639 0.00351 0.00729 0.00222 -0.00008 108 7 H 1S 0.05388 0.00000 -0.00059 0.02953 -0.01112 109 2S 0.08639 0.00000 -0.06409 0.03271 0.09439 110 3S 0.04400 0.00000 0.19371 0.11965 -0.33917 111 4PX -0.00566 0.00000 0.00046 0.00195 0.00663 112 4PY -0.00584 0.00000 -0.00847 -0.00653 0.00440 113 4PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 114 8 H 1S -0.03110 0.00594 0.00735 -0.01436 -0.00796 115 2S -0.04942 0.01299 -0.02560 -0.01292 0.04820 116 3S -0.02824 0.02465 0.11930 -0.18634 -0.17083 117 4PX 0.00147 -0.00102 0.00222 -0.00091 0.00650 118 4PY 0.00081 -0.00083 0.00529 0.00022 -0.00419 119 4PZ 0.00372 0.00021 -0.00658 -0.00303 0.00784 120 9 H 1S -0.03110 -0.00594 0.00735 -0.01436 -0.00796 121 2S -0.04942 -0.01299 -0.02560 -0.01292 0.04820 122 3S -0.02824 -0.02465 0.11930 -0.18634 -0.17083 123 4PX 0.00147 0.00102 0.00222 -0.00091 0.00650 124 4PY 0.00081 0.00083 0.00529 0.00022 -0.00419 125 4PZ -0.00372 0.00021 0.00658 0.00303 -0.00784 21 22 23 24 25 V V V V V Eigenvalues -- 0.03955 0.04057 0.05773 0.07179 0.07485 1 1 C 1S 0.00000 -0.00777 0.00618 -0.00637 0.00000 2 2S 0.00000 -0.01299 0.01045 -0.01027 0.00000 3 2PX 0.00000 -0.00162 0.00916 -0.01123 0.00000 4 2PY 0.00000 -0.05601 -0.04761 -0.03898 0.00000 5 2PZ -0.05598 0.00000 0.00000 0.00000 -0.04877 6 3S 0.00000 0.04981 -0.04693 0.01991 0.00000 7 3PX 0.00000 -0.00260 0.00872 -0.00739 0.00000 8 3PY 0.00000 -0.11500 -0.06748 -0.05211 0.00000 9 3PZ -0.11243 0.00000 0.00000 0.00000 -0.09785 10 4S 0.00000 -0.01870 0.20192 0.23323 0.00000 11 4PX 0.00000 0.07370 -0.13456 -0.20787 0.00000 12 4PY 0.00000 -0.15548 -0.26370 -0.35835 0.00000 13 4PZ -0.16328 0.00000 0.00000 0.00000 -0.11537 14 5S 0.00000 -1.31617 -0.87671 2.33096 0.00000 15 5PX 0.00000 0.14143 1.08293 -0.67622 0.00000 16 5PY 0.00000 0.90376 0.24842 -0.04119 0.00000 17 5PZ 0.69105 0.00000 0.00000 0.00000 1.82138 18 6D 0 0.00000 0.00223 -0.00458 -0.00377 0.00000 19 6D+1 0.00275 0.00000 0.00000 0.00000 -0.00132 20 6D-1 0.00116 0.00000 0.00000 0.00000 0.00390 21 6D+2 0.00000 0.00113 0.00296 -0.00282 0.00000 22 6D-2 0.00000 0.00303 0.00141 0.00161 0.00000 23 7D 0 0.00000 0.05102 -0.02125 -0.00636 0.00000 24 7D+1 -0.00691 0.00000 0.00000 0.00000 -0.00683 25 7D-1 0.04020 0.00000 0.00000 0.00000 0.03869 26 7D+2 0.00000 0.00747 0.03339 0.00381 0.00000 27 7D-2 0.00000 -0.01310 0.00101 -0.00283 0.00000 28 2 C 1S 0.00000 0.00567 -0.02061 -0.00681 0.00000 29 2S 0.00000 0.01024 -0.03351 -0.01093 0.00000 30 2PX 0.00000 -0.01142 0.00468 -0.02001 0.00000 31 2PY 0.00000 -0.09142 0.00873 -0.01618 0.00000 32 2PZ -0.06965 0.00000 0.00000 0.00000 0.01151 33 3S 0.00000 -0.04532 0.09442 0.03332 0.00000 34 3PX 0.00000 -0.00025 -0.00140 -0.03470 0.00000 35 3PY 0.00000 -0.14155 0.01396 -0.03422 0.00000 36 3PZ -0.12645 0.00000 0.00000 0.00000 0.01350 37 4S 0.00000 0.05148 0.34838 0.13975 0.00000 38 4PX 0.00000 0.01364 -0.18925 -0.15750 0.00000 39 4PY 0.00000 -0.35373 0.07103 0.15787 0.00000 40 4PZ -0.29470 0.00000 0.00000 0.00000 -0.02370 41 5S 0.00000 2.17219 -0.09919 -2.20335 0.00000 42 5PX 0.00000 0.19909 0.25371 -1.76579 0.00000 43 5PY 0.00000 -0.01959 0.10759 1.31814 0.00000 44 5PZ 0.32316 0.00000 0.00000 0.00000 -0.64458 45 6D 0 0.00000 0.00239 -0.00256 -0.00788 0.00000 46 6D+1 -0.00241 0.00000 0.00000 0.00000 -0.00146 47 6D-1 0.00392 0.00000 0.00000 0.00000 -0.00104 48 6D+2 0.00000 0.00220 -0.00235 0.00020 0.00000 49 6D-2 0.00000 -0.00317 -0.00618 -0.00206 0.00000 50 7D 0 0.00000 -0.02662 0.00822 -0.01414 0.00000 51 7D+1 0.01136 0.00000 0.00000 0.00000 0.01198 52 7D-1 -0.02096 0.00000 0.00000 0.00000 -0.02339 53 7D+2 0.00000 0.00277 -0.03624 -0.00512 0.00000 54 7D-2 0.00000 0.00997 -0.00746 -0.00403 0.00000 55 3 S 1S 0.00000 0.00131 0.00085 -0.00129 0.00000 56 2S 0.00000 0.00381 0.00242 -0.00354 0.00000 57 3S 0.00000 -0.00891 -0.00509 0.00633 0.00000 58 4S 0.00000 -0.01312 -0.01093 0.02070 0.00000 59 5S 0.00000 0.02840 0.03431 -0.08280 0.00000 60 6S 0.00000 0.04513 0.01439 0.29068 0.00000 61 7S 0.00000 -0.08354 -0.40261 -0.73968 0.00000 62 7PX 0.00000 -0.08980 -0.70304 0.90943 0.00000 63 7PY 0.00000 0.10091 0.67365 -1.65931 0.00000 64 7PZ 0.70896 0.00000 0.00000 0.00000 -1.38140 65 8PX 0.00000 0.02655 -0.02592 0.00291 0.00000 66 8PY 0.00000 0.01411 0.02168 -0.00463 0.00000 67 8PZ 0.01645 0.00000 0.00000 0.00000 -0.02099 68 9PX 0.00000 0.04866 -0.04968 0.00624 0.00000 69 9PY 0.00000 0.02659 0.04161 -0.00950 0.00000 70 9PZ 0.03295 0.00000 0.00000 0.00000 -0.04146 71 10PX 0.00000 -0.06311 0.08180 -0.01487 0.00000 72 10PY 0.00000 -0.03878 -0.06907 0.01931 0.00000 73 10PZ -0.06303 0.00000 0.00000 0.00000 0.07702 74 11PX 0.00000 -0.23400 0.14863 0.01166 0.00000 75 11PY 0.00000 -0.11045 -0.11375 0.02083 0.00000 76 11PZ -0.04770 0.00000 0.00000 0.00000 0.07601 77 12PX 0.00000 -0.41695 1.11930 0.30572 0.00000 78 12PY 0.00000 -0.33417 -0.61719 0.37418 0.00000 79 12PZ -0.50275 0.00000 0.00000 0.00000 0.67015 80 13D 0 0.00000 0.00523 -0.02617 -0.02914 0.00000 81 13D+1 -0.00261 0.00000 0.00000 0.00000 0.00804 82 13D-1 -0.00793 0.00000 0.00000 0.00000 0.00310 83 13D+2 0.00000 -0.02896 0.01604 0.00116 0.00000 84 13D-2 0.00000 0.03381 -0.00045 -0.00942 0.00000 85 14D 0 0.00000 0.02114 -0.05521 -0.09341 0.00000 86 14D+1 -0.01290 0.00000 0.00000 0.00000 0.03151 87 14D-1 -0.02223 0.00000 0.00000 0.00000 0.01634 88 14D+2 0.00000 -0.05129 0.05514 -0.00253 0.00000 89 14D-2 0.00000 0.07325 0.01625 -0.01844 0.00000 90 4 H 1S 0.00000 -0.06682 0.04905 0.04568 0.00000 91 2S 0.00000 -0.11339 0.05429 -0.01597 0.00000 92 3S 0.00000 -0.67144 1.17548 0.83571 0.00000 93 4PX 0.00000 -0.00464 -0.01119 0.00610 0.00000 94 4PY 0.00000 -0.00732 0.00012 0.00263 0.00000 95 4PZ 0.00093 0.00000 0.00000 0.00000 -0.00642 96 5 H 1S 0.00274 -0.00792 0.00598 -0.01554 -0.00267 97 2S 0.11123 0.08399 -0.05580 -0.04191 0.02074 98 3S 0.03731 -0.23524 0.19091 -0.16098 -0.00467 99 4PX 0.00055 -0.00212 -0.00033 -0.00491 0.00638 100 4PY 0.00183 -0.00194 0.00230 0.00560 -0.00145 101 4PZ 0.00142 0.00607 -0.00587 -0.00634 -0.00496 102 6 H 1S -0.00274 -0.00792 0.00598 -0.01554 0.00267 103 2S -0.11123 0.08399 -0.05580 -0.04191 -0.02074 104 3S -0.03731 -0.23524 0.19091 -0.16098 0.00467 105 4PX -0.00055 -0.00212 -0.00033 -0.00491 -0.00638 106 4PY -0.00183 -0.00194 0.00230 0.00560 0.00145 107 4PZ 0.00142 -0.00607 0.00587 0.00634 -0.00496 108 7 H 1S 0.00000 -0.01396 -0.00252 0.01303 0.00000 109 2S 0.00000 0.09758 0.05180 0.08955 0.00000 110 3S 0.00000 -0.30772 0.21331 0.48753 0.00000 111 4PX 0.00000 -0.00267 0.00942 -0.00433 0.00000 112 4PY 0.00000 -0.00277 0.00282 0.00291 0.00000 113 4PZ 0.00068 0.00000 0.00000 0.00000 0.00523 114 8 H 1S -0.01149 0.01037 -0.00855 -0.00423 -0.02618 115 2S 0.09223 -0.05468 -0.05615 -0.07652 0.05857 116 3S -0.24785 0.17727 0.00121 0.06549 -0.46767 117 4PX 0.00011 -0.00277 0.00671 0.00149 0.00209 118 4PY 0.00037 0.00207 0.00059 -0.00363 0.00155 119 4PZ 0.00053 -0.00007 -0.00477 -0.00474 0.00161 120 9 H 1S 0.01149 0.01037 -0.00855 -0.00423 0.02618 121 2S -0.09223 -0.05468 -0.05615 -0.07652 -0.05857 122 3S 0.24785 0.17727 0.00121 0.06549 0.46767 123 4PX -0.00011 -0.00277 0.00671 0.00149 -0.00209 124 4PY -0.00037 0.00207 0.00059 -0.00363 -0.00155 125 4PZ 0.00053 0.00007 0.00477 0.00474 0.00161 26 27 28 29 30 V V V V V Eigenvalues -- 0.08031 0.08461 0.09543 0.11340 0.13031 1 1 C 1S -0.01350 0.00000 -0.00210 0.02156 -0.00532 2 2S -0.02168 0.00000 -0.00319 0.03506 -0.00868 3 2PX -0.02330 0.00000 -0.02699 0.01711 0.00744 4 2PY 0.04500 0.00000 -0.01488 0.03369 -0.04498 5 2PZ 0.00000 0.04119 0.00000 0.00000 0.00000 6 3S 0.05452 0.00000 0.00418 -0.09721 0.01324 7 3PX -0.02566 0.00000 -0.03142 0.01299 0.02331 8 3PY 0.07218 0.00000 -0.03632 0.05645 -0.06178 9 3PZ 0.00000 0.05052 0.00000 0.00000 0.00000 10 4S 0.30312 0.00000 0.07716 -0.38184 0.35089 11 4PX -0.00006 0.00000 -0.12633 0.02430 -0.26399 12 4PY 0.22576 0.00000 -0.05193 0.08925 -0.40554 13 4PZ 0.00000 0.23579 0.00000 0.00000 0.00000 14 5S -3.44261 0.00000 9.49711 7.36549 -4.93428 15 5PX 1.92201 0.00000 -2.61821 -3.04574 0.95311 16 5PY -1.13597 0.00000 1.99633 -1.67680 -0.59450 17 5PZ 0.00000 -1.42906 0.00000 0.00000 0.00000 18 6D 0 -0.00342 0.00000 0.00033 -0.00000 -0.00639 19 6D+1 0.00000 0.00299 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00003 0.00000 0.00000 0.00000 21 6D+2 0.00562 0.00000 -0.00125 -0.00260 -0.00091 22 6D-2 0.00127 0.00000 0.00708 0.00637 0.00070 23 7D 0 -0.01875 0.00000 0.01999 0.00319 -0.01724 24 7D+1 0.00000 -0.00477 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.01629 0.00000 0.00000 0.00000 26 7D+2 0.00666 0.00000 0.00094 -0.01225 0.01580 27 7D-2 0.00253 0.00000 0.01678 0.00642 -0.01674 28 2 C 1S -0.00416 0.00000 -0.00846 -0.01853 -0.02366 29 2S -0.00591 0.00000 -0.01344 -0.02947 -0.03825 30 2PX 0.02340 0.00000 -0.03952 -0.05110 -0.02057 31 2PY -0.05299 0.00000 -0.05916 -0.10456 0.00724 32 2PZ 0.00000 -0.08202 0.00000 0.00000 0.00000 33 3S -0.00117 0.00000 0.02873 0.06503 0.09350 34 3PX 0.03452 0.00000 -0.06151 -0.05982 -0.05538 35 3PY -0.07655 0.00000 -0.08077 -0.14405 0.02074 36 3PZ 0.00000 -0.13917 0.00000 0.00000 0.00000 37 4S 0.27642 0.00000 0.12563 0.50480 0.60031 38 4PX 0.02862 0.00000 -0.14996 -0.29821 -0.18429 39 4PY -0.20905 0.00000 -0.33661 -0.60235 0.06680 40 4PZ 0.00000 -0.41400 0.00000 0.00000 0.00000 41 5S 5.76339 0.00000 -9.25148 -6.56205 -15.09977 42 5PX -0.43594 0.00000 -4.44426 -0.46700 4.00448 43 5PY 0.19041 0.00000 -1.71473 1.23552 5.93256 44 5PZ 0.00000 2.94489 0.00000 0.00000 0.00000 45 6D 0 -0.00326 0.00000 0.00541 0.00492 -0.00372 46 6D+1 0.00000 0.00202 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00156 0.00000 0.00000 0.00000 48 6D+2 0.00730 0.00000 0.00867 -0.00186 0.00130 49 6D-2 0.00103 0.00000 -0.00815 -0.00260 -0.00317 50 7D 0 -0.00968 0.00000 -0.00419 -0.00509 0.01299 51 7D+1 0.00000 0.01034 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.03011 0.00000 0.00000 0.00000 53 7D+2 0.02445 0.00000 0.02356 -0.03380 -0.02988 54 7D-2 -0.00752 0.00000 -0.00837 0.01335 0.01966 55 3 S 1S 0.00158 0.00000 -0.00782 -0.00382 -0.00111 56 2S 0.00453 0.00000 -0.02271 -0.01101 -0.00312 57 3S -0.01013 0.00000 0.05283 0.02484 0.00630 58 4S -0.01773 0.00000 0.07979 0.04201 0.01528 59 5S 0.03693 0.00000 -0.12017 -0.06580 -0.04766 60 6S 0.08063 0.00000 -0.79549 -0.26804 0.15232 61 7S -1.48487 0.00000 -0.75664 -1.04002 17.61040 62 7PX 0.26760 0.00000 1.90597 -0.53929 2.46293 63 7PY 0.02773 0.00000 0.45041 0.94601 6.04409 64 7PZ 0.00000 -1.73205 0.00000 0.00000 0.00000 65 8PX 0.01936 0.00000 0.00747 0.00709 0.01735 66 8PY 0.01344 0.00000 0.03458 0.02887 0.00397 67 8PZ 0.00000 -0.01471 0.00000 0.00000 0.00000 68 9PX 0.03614 0.00000 0.01525 0.01373 0.03263 69 9PY 0.02594 0.00000 0.06493 0.05382 0.00686 70 9PZ 0.00000 -0.02834 0.00000 0.00000 0.00000 71 10PX -0.05256 0.00000 -0.03140 -0.02229 -0.04995 72 10PY -0.04371 0.00000 -0.09715 -0.07769 -0.00613 73 10PZ 0.00000 0.04858 0.00000 0.00000 0.00000 74 11PX -0.14717 0.00000 -0.00923 -0.04776 -0.12268 75 11PY -0.07149 0.00000 -0.26246 -0.24191 -0.05087 76 11PZ 0.00000 0.07561 0.00000 0.00000 0.00000 77 12PX -0.45807 0.00000 -0.39777 -0.40953 -0.29429 78 12PY -0.48035 0.00000 -0.75178 -1.17233 0.59896 79 12PZ 0.00000 0.36312 0.00000 0.00000 0.00000 80 13D 0 0.00325 0.00000 -0.01606 -0.03959 0.01389 81 13D+1 0.00000 -0.00680 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00434 0.00000 0.00000 0.00000 83 13D+2 -0.02668 0.00000 -0.00704 -0.00184 -0.01313 84 13D-2 0.01203 0.00000 -0.00757 0.03693 0.01326 85 14D 0 0.00881 0.00000 -0.02558 -0.07027 0.03960 86 14D+1 0.00000 -0.02837 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.03208 0.00000 0.00000 0.00000 88 14D+2 -0.05807 0.00000 -0.01294 0.03358 -0.00339 89 14D-2 0.01529 0.00000 -0.04338 0.06716 0.02563 90 4 H 1S -0.04929 0.00000 0.03570 0.02869 -0.03881 91 2S -0.09117 0.00000 0.07783 0.04194 -0.03315 92 3S -0.53229 0.00000 0.36754 0.53439 -0.93887 93 4PX 0.00101 0.00000 0.00296 -0.00974 -0.00578 94 4PY 0.00545 0.00000 0.00642 -0.01863 -0.00524 95 4PZ 0.00000 0.00482 0.00000 0.00000 0.00000 96 5 H 1S -0.01963 -0.02101 0.00849 0.00120 -0.00589 97 2S 0.01928 0.13540 0.00539 0.01718 -0.12316 98 3S -0.38441 -0.36482 0.35081 0.10750 0.62265 99 4PX -0.00926 -0.00073 -0.00821 0.00268 -0.00180 100 4PY 0.00072 0.00323 -0.01183 -0.00220 0.00060 101 4PZ 0.00348 0.00407 0.00295 0.00271 -0.00663 102 6 H 1S -0.01963 0.02101 0.00849 0.00120 -0.00589 103 2S 0.01928 -0.13540 0.00539 0.01718 -0.12316 104 3S -0.38441 0.36482 0.35081 0.10750 0.62265 105 4PX -0.00926 0.00073 -0.00821 0.00268 -0.00180 106 4PY 0.00072 -0.00323 -0.01183 -0.00220 0.00060 107 4PZ -0.00348 0.00407 -0.00295 -0.00271 0.00663 108 7 H 1S 0.00377 0.00000 0.02107 0.03485 0.02079 109 2S -0.10262 0.00000 0.12666 0.05471 0.08677 110 3S 0.13368 0.00000 -0.17811 0.14646 1.01140 111 4PX 0.00378 0.00000 0.00578 -0.00622 -0.00262 112 4PY -0.00727 0.00000 -0.00053 -0.00045 0.00200 113 4PZ 0.00000 0.00089 0.00000 0.00000 0.00000 114 8 H 1S -0.01773 0.00806 -0.00772 -0.00441 -0.00371 115 2S -0.00192 -0.01726 -0.02924 0.06081 -0.09873 116 3S -0.08230 -0.07309 -0.05343 -0.47617 0.41603 117 4PX 0.00535 -0.00290 -0.00635 0.00100 0.00302 118 4PY -0.00010 0.00518 -0.00140 -0.00470 -0.00671 119 4PZ -0.00132 -0.00645 0.00404 0.00834 -0.00750 120 9 H 1S -0.01773 -0.00806 -0.00772 -0.00441 -0.00371 121 2S -0.00192 0.01726 -0.02924 0.06081 -0.09873 122 3S -0.08230 0.07309 -0.05343 -0.47617 0.41603 123 4PX 0.00535 0.00290 -0.00635 0.00100 0.00302 124 4PY -0.00010 -0.00518 -0.00140 -0.00470 -0.00671 125 4PZ 0.00132 -0.00645 -0.00404 -0.00834 0.00750 31 32 33 34 35 V V V V V Eigenvalues -- 0.14204 0.15672 0.17634 0.18621 0.21677 1 1 C 1S 0.00288 0.00000 0.00000 0.02164 -0.02966 2 2S 0.00519 0.00000 0.00000 0.03465 -0.04773 3 2PX -0.05098 0.00000 0.00000 -0.06436 -0.13614 4 2PY 0.03424 0.00000 0.00000 -0.11361 0.00387 5 2PZ 0.00000 -0.14917 -0.03053 0.00000 0.00000 6 3S -0.01755 0.00000 0.00000 -0.07170 0.07486 7 3PX -0.08518 0.00000 0.00000 -0.08537 -0.26787 8 3PY 0.04477 0.00000 0.00000 -0.11621 0.01302 9 3PZ 0.00000 -0.16434 -0.01208 0.00000 0.00000 10 4S 0.13667 0.00000 0.00000 -1.00289 2.10209 11 4PX -0.28203 0.00000 0.00000 -0.47599 -1.97494 12 4PY 0.38037 0.00000 0.00000 -1.11380 0.07462 13 4PZ 0.00000 -1.48018 -0.56489 0.00000 0.00000 14 5S 28.45489 0.00000 0.00000 7.50788 -17.31853 15 5PX -8.03273 0.00000 0.00000 -2.44980 5.23210 16 5PY 1.20373 0.00000 0.00000 -1.32077 -1.09762 17 5PZ 0.00000 -1.38499 -1.11358 0.00000 0.00000 18 6D 0 0.00729 0.00000 0.00000 -0.00804 0.01186 19 6D+1 0.00000 0.00998 -0.01358 0.00000 0.00000 20 6D-1 0.00000 -0.01889 -0.00166 0.00000 0.00000 21 6D+2 0.00003 0.00000 0.00000 -0.01137 -0.02415 22 6D-2 -0.00935 0.00000 0.00000 0.00802 0.00362 23 7D 0 -0.00888 0.00000 0.00000 -0.02237 -0.06199 24 7D+1 0.00000 0.00994 -0.00711 0.00000 0.00000 25 7D-1 0.00000 -0.00411 -0.02137 0.00000 0.00000 26 7D+2 -0.00016 0.00000 0.00000 -0.00250 0.07844 27 7D-2 -0.01016 0.00000 0.00000 0.02321 -0.00582 28 2 C 1S -0.00997 0.00000 0.00000 0.02202 0.02640 29 2S -0.01608 0.00000 0.00000 0.03487 0.04278 30 2PX -0.02333 0.00000 0.00000 0.02224 -0.15088 31 2PY 0.06872 0.00000 0.00000 0.00524 0.01584 32 2PZ 0.00000 -0.02358 0.13702 0.00000 0.00000 33 3S 0.03381 0.00000 0.00000 -0.06659 -0.06665 34 3PX -0.03579 0.00000 0.00000 0.02274 -0.25150 35 3PY 0.12010 0.00000 0.00000 0.00253 0.02442 36 3PZ 0.00000 -0.05826 0.12970 0.00000 0.00000 37 4S 0.39096 0.00000 0.00000 -0.97731 -1.90213 38 4PX -0.31868 0.00000 0.00000 0.18678 -2.24645 39 4PY 0.39415 0.00000 0.00000 0.32216 0.43109 40 4PZ 0.00000 0.09593 1.57804 0.00000 0.00000 41 5S -27.98684 0.00000 0.00000 -3.69569 19.97109 42 5PX -8.79051 0.00000 0.00000 -2.95310 6.14373 43 5PY 0.78045 0.00000 0.00000 -1.28480 -0.68181 44 5PZ 0.00000 0.67413 2.86955 0.00000 0.00000 45 6D 0 -0.00953 0.00000 0.00000 -0.00032 -0.01587 46 6D+1 0.00000 -0.01588 0.00681 0.00000 0.00000 47 6D-1 0.00000 0.00174 -0.02037 0.00000 0.00000 48 6D+2 0.00498 0.00000 0.00000 -0.00530 0.02224 49 6D-2 0.00869 0.00000 0.00000 -0.00828 -0.00409 50 7D 0 0.01923 0.00000 0.00000 0.02669 0.05815 51 7D+1 0.00000 -0.00343 0.03014 0.00000 0.00000 52 7D-1 0.00000 -0.01792 -0.03294 0.00000 0.00000 53 7D+2 0.02512 0.00000 0.00000 0.02868 -0.06295 54 7D-2 -0.00124 0.00000 0.00000 -0.01907 0.02956 55 3 S 1S 0.00748 0.00000 0.00000 0.00350 -0.00232 56 2S 0.02181 0.00000 0.00000 0.01029 -0.00679 57 3S -0.05153 0.00000 0.00000 -0.02519 0.01622 58 4S -0.07383 0.00000 0.00000 -0.03120 0.02281 59 5S 0.09222 0.00000 0.00000 -0.00240 -0.03540 60 6S 1.06067 0.00000 0.00000 0.88891 -0.40358 61 7S 0.57957 0.00000 0.00000 -4.26703 -1.87147 62 7PX -0.21049 0.00000 0.00000 -1.20139 -1.29973 63 7PY -0.15406 0.00000 0.00000 -1.44269 0.00318 64 7PZ 0.00000 -0.46763 -0.42210 0.00000 0.00000 65 8PX 0.01264 0.00000 0.00000 0.02343 0.00325 66 8PY -0.01051 0.00000 0.00000 -0.00500 0.00775 67 8PZ 0.00000 0.00336 0.00956 0.00000 0.00000 68 9PX 0.02294 0.00000 0.00000 0.04375 0.00578 69 9PY -0.01905 0.00000 0.00000 -0.00773 0.01479 70 9PZ 0.00000 0.00550 0.01783 0.00000 0.00000 71 10PX -0.02945 0.00000 0.00000 -0.06830 -0.00609 72 10PY 0.02313 0.00000 0.00000 -0.00128 -0.02420 73 10PZ 0.00000 -0.00332 -0.02744 0.00000 0.00000 74 11PX -0.12841 0.00000 0.00000 -0.16750 -0.03599 75 11PY 0.12190 0.00000 0.00000 0.13238 -0.05869 76 11PZ 0.00000 -0.05383 -0.07266 0.00000 0.00000 77 12PX 0.03731 0.00000 0.00000 -0.42633 0.64739 78 12PY 0.45160 0.00000 0.00000 0.38564 -0.55600 79 12PZ 0.00000 0.14532 -0.55440 0.00000 0.00000 80 13D 0 0.00979 0.00000 0.00000 0.01640 -0.00567 81 13D+1 0.00000 0.00734 0.04045 0.00000 0.00000 82 13D-1 0.00000 0.01107 0.04098 0.00000 0.00000 83 13D+2 -0.03186 0.00000 0.00000 0.01235 -0.03538 84 13D-2 -0.00984 0.00000 0.00000 0.01135 -0.03658 85 14D 0 0.00727 0.00000 0.00000 0.01584 -0.02706 86 14D+1 0.00000 0.03085 0.13654 0.00000 0.00000 87 14D-1 0.00000 0.03278 0.08316 0.00000 0.00000 88 14D+2 -0.08969 0.00000 0.00000 0.02908 -0.07450 89 14D-2 -0.01810 0.00000 0.00000 0.06272 -0.08801 90 4 H 1S -0.07119 0.00000 0.00000 -0.04370 -0.02014 91 2S -0.12347 0.00000 0.00000 -0.08700 -0.08820 92 3S -0.93783 0.00000 0.00000 -1.02982 0.48772 93 4PX 0.00128 0.00000 0.00000 0.00460 -0.00005 94 4PY 0.01569 0.00000 0.00000 -0.00445 0.02215 95 4PZ 0.00000 -0.00106 -0.01445 0.00000 0.00000 96 5 H 1S -0.02827 0.03383 -0.07118 0.02378 -0.03099 97 2S -0.18778 0.06078 -0.23705 0.00813 -0.12590 98 3S 0.01646 0.22983 -2.65014 0.62403 -1.03298 99 4PX -0.00226 -0.01479 -0.00033 -0.00707 -0.01603 100 4PY 0.00498 -0.00244 -0.01364 0.00315 0.00354 101 4PZ -0.00604 -0.00490 -0.00311 0.00311 -0.00093 102 6 H 1S -0.02827 -0.03383 0.07118 0.02378 -0.03099 103 2S -0.18778 -0.06078 0.23705 0.00813 -0.12590 104 3S 0.01646 -0.22983 2.65014 0.62403 -1.03298 105 4PX -0.00226 0.01479 0.00033 -0.00707 -0.01603 106 4PY 0.00498 0.00244 0.01364 0.00315 0.00354 107 4PZ 0.00604 -0.00490 -0.00311 -0.00311 0.00093 108 7 H 1S -0.04360 0.00000 0.00000 0.07364 0.02463 109 2S -0.04422 0.00000 0.00000 0.21234 0.07717 110 3S -1.40631 0.00000 0.00000 2.91450 0.50393 111 4PX -0.00418 0.00000 0.00000 0.00210 -0.02230 112 4PY 0.00741 0.00000 0.00000 0.02041 0.00580 113 4PZ 0.00000 -0.01961 -0.00475 0.00000 0.00000 114 8 H 1S 0.02315 0.06876 -0.02248 -0.01454 0.01183 115 2S 0.16838 0.25308 -0.00073 0.00574 0.08105 116 3S -0.20166 2.30945 0.39129 -0.71166 0.06489 117 4PX -0.00137 0.00029 -0.01588 -0.00630 -0.01934 118 4PY 0.00397 -0.01235 -0.00491 -0.00964 -0.00134 119 4PZ 0.00516 0.00256 0.00790 -0.00738 -0.00042 120 9 H 1S 0.02315 -0.06876 0.02248 -0.01454 0.01183 121 2S 0.16838 -0.25308 0.00073 0.00574 0.08105 122 3S -0.20166 -2.30945 -0.39129 -0.71166 0.06489 123 4PX -0.00137 -0.00029 0.01588 -0.00630 -0.01934 124 4PY 0.00397 0.01235 0.00491 -0.00964 -0.00134 125 4PZ -0.00516 0.00256 0.00790 0.00738 0.00042 36 37 38 39 40 V V V V V Eigenvalues -- 0.23725 0.27147 0.31162 0.32090 0.33567 1 1 C 1S -0.05250 -0.00520 0.00478 -0.00278 0.00000 2 2S -0.08289 -0.00787 0.00814 -0.00499 0.00000 3 2PX 0.04242 0.06381 0.02933 0.01332 0.00000 4 2PY -0.04257 -0.07082 0.03702 -0.03223 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.01099 6 3S 0.15183 0.02245 -0.02769 0.01476 0.00000 7 3PX 0.01108 0.08652 0.02913 0.00467 0.00000 8 3PY -0.05552 -0.08929 -0.00014 -0.02028 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.03830 10 4S 2.87318 0.16379 0.08329 0.34111 0.00000 11 4PX 0.30435 0.88515 0.29648 0.23850 0.00000 12 4PY -0.27489 -0.92803 0.29492 -0.22055 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.30947 14 5S 26.23781 -0.64704 -0.87647 3.26416 0.00000 15 5PX -6.48027 0.21858 0.48524 -0.83980 0.00000 16 5PY -0.32797 -1.02176 0.17899 -0.10142 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 -0.12002 18 6D 0 -0.00380 -0.01226 -0.00525 -0.00175 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00200 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00248 21 6D+2 0.00072 0.00106 0.00107 0.00497 0.00000 22 6D-2 0.00462 -0.00046 0.00968 -0.00680 0.00000 23 7D 0 -0.01245 0.01653 0.03256 -0.03694 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.04889 25 7D-1 0.00000 0.00000 0.00000 0.00000 -0.02167 26 7D+2 0.01452 -0.03220 0.01113 -0.04193 0.00000 27 7D-2 -0.01273 0.01932 0.00107 -0.01227 0.00000 28 2 C 1S 0.02350 -0.03586 -0.01065 0.01166 0.00000 29 2S 0.03712 -0.05691 -0.01783 0.02030 0.00000 30 2PX -0.00457 -0.02583 -0.00322 0.04651 0.00000 31 2PY -0.02384 0.10540 -0.04042 0.03626 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.01670 33 3S -0.05538 0.11553 0.07412 -0.13510 0.00000 34 3PX -0.02555 0.01609 0.03527 0.09016 0.00000 35 3PY -0.01372 0.10715 -0.06574 0.07228 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00430 37 4S -1.37134 2.11813 -0.06986 0.75896 0.00000 38 4PX -0.15942 -0.01680 -0.07785 -0.22930 0.00000 39 4PY -0.33708 0.91460 -0.28103 -0.15293 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 -0.44141 41 5S -24.64262 23.32052 -1.01484 -2.15504 0.00000 42 5PX -5.26568 -1.00753 0.84138 -0.76246 0.00000 43 5PY 0.88162 -4.90677 0.68343 -1.25244 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.77393 45 6D 0 0.00213 -0.00370 0.01028 -0.00730 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00382 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00069 48 6D+2 0.00508 -0.00553 -0.00067 -0.00377 0.00000 49 6D-2 -0.00448 -0.00387 -0.00888 0.00574 0.00000 50 7D 0 0.00836 -0.05658 0.00604 -0.02897 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.09641 52 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00100 53 7D+2 -0.02210 0.01460 0.03964 -0.05800 0.00000 54 7D-2 -0.00038 0.02074 0.02695 0.09579 0.00000 55 3 S 1S 0.00433 -0.00209 -0.00115 -0.00136 0.00000 56 2S 0.01257 -0.00615 -0.00337 -0.00443 0.00000 57 3S -0.02925 0.01518 0.00800 0.01444 0.00000 58 4S -0.04561 0.01856 0.01133 -0.00216 0.00000 59 5S 0.07954 0.00723 0.01722 0.12370 0.00000 60 6S 0.50964 -0.49242 -0.13756 -0.83395 0.00000 61 7S 0.81712 -14.93033 2.28336 -1.75263 0.00000 62 7PX -0.42051 -2.10658 -1.67974 -0.33850 0.00000 63 7PY 0.18062 -4.05092 0.75669 1.65040 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 -2.05923 65 8PX 0.00211 -0.00672 0.05254 0.00487 0.00000 66 8PY 0.00325 -0.00101 0.00578 -0.06778 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.06477 68 9PX 0.00379 -0.01102 0.09140 0.00764 0.00000 69 9PY 0.00501 -0.00160 0.01068 -0.12122 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.11177 71 10PX -0.00350 0.00473 -0.10419 -0.00196 0.00000 72 10PY -0.00072 0.00179 -0.01336 0.16153 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 -0.12151 74 11PX -0.03809 0.12767 -0.74960 -0.11029 0.00000 75 11PY -0.07658 0.01415 -0.07880 0.79453 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 -0.92689 77 12PX -0.21848 -1.18324 2.52278 0.15845 0.00000 78 12PY 0.51484 -0.71551 -0.05422 -3.23080 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 2.68916 80 13D 0 0.00138 -0.00202 -0.03862 -0.01770 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00985 82 13D-1 0.00000 0.00000 0.00000 0.00000 -0.05795 83 13D+2 -0.00099 0.02634 0.03172 -0.04029 0.00000 84 13D-2 -0.00385 0.00069 -0.03874 -0.00966 0.00000 85 14D 0 -0.01300 0.00655 -0.10287 0.01372 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.06464 87 14D-1 0.00000 0.00000 0.00000 0.00000 -0.18848 88 14D+2 -0.00625 0.09095 0.05164 -0.05804 0.00000 89 14D-2 -0.02468 0.01198 -0.07143 -0.09771 0.00000 90 4 H 1S -0.01698 0.02276 0.03127 -0.02771 0.00000 91 2S -0.08398 0.23504 0.51911 -0.03067 0.00000 92 3S -0.20903 -0.96803 -0.67410 0.51461 0.00000 93 4PX -0.00197 0.00719 0.03335 0.01168 0.00000 94 4PY -0.00015 -0.00541 -0.00812 0.02004 0.00000 95 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00901 96 5 H 1S 0.03429 -0.04307 0.02405 -0.00467 -0.01117 97 2S 0.06210 0.05950 0.16473 -0.26504 0.19698 98 3S 1.59198 -4.10660 0.11577 0.83138 -0.44742 99 4PX -0.00222 0.00537 0.01284 0.00883 0.01121 100 4PY -0.00063 -0.00714 -0.00793 0.02375 -0.01576 101 4PZ 0.00567 -0.01979 -0.00021 0.00795 -0.00574 102 6 H 1S 0.03429 -0.04307 0.02405 -0.00467 0.01117 103 2S 0.06210 0.05950 0.16473 -0.26504 -0.19698 104 3S 1.59198 -4.10660 0.11577 0.83138 0.44742 105 4PX -0.00222 0.00537 0.01284 0.00883 -0.01121 106 4PY -0.00063 -0.00714 -0.00793 0.02375 0.01576 107 4PZ -0.00567 0.01979 0.00021 -0.00795 -0.00574 108 7 H 1S -0.02215 0.01685 0.02614 -0.02515 0.00000 109 2S 0.04219 0.20513 0.17096 -0.20978 0.00000 110 3S -2.10680 -0.08341 -0.86018 0.33771 0.00000 111 4PX 0.00084 0.00115 0.00671 -0.00075 0.00000 112 4PY -0.00999 0.00105 -0.02137 0.01332 0.00000 113 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00122 114 8 H 1S -0.05523 -0.03382 -0.02229 -0.00431 -0.01602 115 2S -0.02531 -0.09861 -0.11443 -0.00019 -0.16644 116 3S -3.27465 -2.41091 0.24707 -0.73679 -0.01539 117 4PX -0.00345 0.00317 -0.00559 0.00452 -0.00757 118 4PY 0.00356 -0.00563 -0.01508 0.00257 -0.00678 119 4PZ -0.01309 -0.00815 0.00472 -0.00660 0.00445 120 9 H 1S -0.05523 -0.03382 -0.02229 -0.00431 0.01602 121 2S -0.02531 -0.09861 -0.11443 -0.00019 0.16644 122 3S -3.27465 -2.41091 0.24707 -0.73679 0.01539 123 4PX -0.00345 0.00317 -0.00559 0.00452 0.00757 124 4PY 0.00356 -0.00563 -0.01508 0.00257 0.00678 125 4PZ 0.01309 0.00815 -0.00472 0.00660 0.00445 41 42 43 44 45 V V V V V Eigenvalues -- 0.35784 0.36640 0.37927 0.39806 0.42148 1 1 C 1S 0.00869 0.00000 0.00000 0.00326 -0.00493 2 2S 0.01104 0.00000 0.00000 0.00621 -0.01259 3 2PX 0.00508 0.00000 0.00000 0.03434 -0.02791 4 2PY -0.06814 0.00000 0.00000 0.03420 0.04695 5 2PZ 0.00000 -0.02135 -0.02215 0.00000 0.00000 6 3S 0.08378 0.00000 0.00000 0.00812 0.09015 7 3PX -0.03963 0.00000 0.00000 0.09169 -0.23794 8 3PY -0.13184 0.00000 0.00000 0.02692 0.08088 9 3PZ 0.00000 0.06034 -0.06359 0.00000 0.00000 10 4S -1.53010 0.00000 0.00000 -0.59432 0.55293 11 4PX 1.61618 0.00000 0.00000 0.08569 0.84941 12 4PY 0.51805 0.00000 0.00000 -0.22242 -1.24145 13 4PZ 0.00000 0.72197 0.38715 0.00000 0.00000 14 5S -5.38903 0.00000 0.00000 -2.06281 2.23622 15 5PX 1.00840 0.00000 0.00000 1.12205 -1.30361 16 5PY -1.55505 0.00000 0.00000 0.64507 1.13838 17 5PZ 0.00000 -0.26541 -1.02729 0.00000 0.00000 18 6D 0 -0.00562 0.00000 0.00000 -0.00328 -0.02320 19 6D+1 0.00000 -0.00974 0.00403 0.00000 0.00000 20 6D-1 0.00000 0.01773 0.00205 0.00000 0.00000 21 6D+2 0.01852 0.00000 0.00000 -0.00773 0.01571 22 6D-2 0.00106 0.00000 0.00000 0.00676 -0.00204 23 7D 0 0.03839 0.00000 0.00000 0.04210 -0.02609 24 7D+1 0.00000 0.09125 -0.00136 0.00000 0.00000 25 7D-1 0.00000 -0.19400 -0.00988 0.00000 0.00000 26 7D+2 -0.06705 0.00000 0.00000 -0.03183 0.02064 27 7D-2 -0.07144 0.00000 0.00000 -0.06652 -0.06550 28 2 C 1S -0.02077 0.00000 0.00000 0.00553 -0.00527 29 2S -0.03421 0.00000 0.00000 0.01153 -0.01380 30 2PX 0.05109 0.00000 0.00000 -0.01758 0.07485 31 2PY -0.01319 0.00000 0.00000 0.02820 -0.01999 32 2PZ 0.00000 -0.10131 0.04395 0.00000 0.00000 33 3S 0.05961 0.00000 0.00000 -0.09141 0.11598 34 3PX 0.18278 0.00000 0.00000 -0.10556 0.32777 35 3PY 0.00918 0.00000 0.00000 0.04445 -0.08628 36 3PZ 0.00000 -0.08402 0.01356 0.00000 0.00000 37 4S 1.47276 0.00000 0.00000 0.29581 0.27397 38 4PX 0.75530 0.00000 0.00000 0.62382 -0.76037 39 4PY -0.59881 0.00000 0.00000 0.14762 0.97522 40 4PZ 0.00000 0.16147 -0.62427 0.00000 0.00000 41 5S 11.14138 0.00000 0.00000 7.43250 -2.13605 42 5PX 2.02530 0.00000 0.00000 -0.36243 0.11325 43 5PY -0.69286 0.00000 0.00000 -1.29707 -0.64185 44 5PZ 0.00000 -1.68524 1.43488 0.00000 0.00000 45 6D 0 0.00538 0.00000 0.00000 0.00499 -0.01494 46 6D+1 0.00000 0.00970 0.00065 0.00000 0.00000 47 6D-1 0.00000 -0.01456 0.01442 0.00000 0.00000 48 6D+2 0.01075 0.00000 0.00000 -0.00644 0.01399 49 6D-2 0.01277 0.00000 0.00000 -0.00094 -0.01213 50 7D 0 -0.00299 0.00000 0.00000 0.05473 -0.02405 51 7D+1 0.00000 -0.03484 0.17509 0.00000 0.00000 52 7D-1 0.00000 0.10350 -0.02225 0.00000 0.00000 53 7D+2 0.13512 0.00000 0.00000 -0.01795 0.01620 54 7D-2 0.01306 0.00000 0.00000 0.00879 -0.00801 55 3 S 1S -0.00007 0.00000 0.00000 -0.00126 -0.00318 56 2S -0.00028 0.00000 0.00000 -0.00352 -0.00873 57 3S 0.00125 0.00000 0.00000 0.00700 0.01587 58 4S -0.00180 0.00000 0.00000 0.01918 0.05353 59 5S 0.03950 0.00000 0.00000 -0.12036 -0.24412 60 6S -0.88992 0.00000 0.00000 -0.26357 0.53073 61 7S -5.07733 0.00000 0.00000 -5.34743 -0.43337 62 7PX -1.42886 0.00000 0.00000 -0.45511 -0.10355 63 7PY -1.67953 0.00000 0.00000 -1.81468 -0.29639 64 7PZ 0.00000 0.83293 0.09457 0.00000 0.00000 65 8PX 0.01560 0.00000 0.00000 0.04118 0.00755 66 8PY 0.01970 0.00000 0.00000 -0.01535 0.00810 67 8PZ 0.00000 -0.00029 -0.03289 0.00000 0.00000 68 9PX 0.02459 0.00000 0.00000 0.07159 0.01700 69 9PY 0.03367 0.00000 0.00000 -0.02682 0.01582 70 9PZ 0.00000 -0.00023 -0.05743 0.00000 0.00000 71 10PX -0.00446 0.00000 0.00000 -0.07326 -0.04744 72 10PY -0.03200 0.00000 0.00000 0.02943 -0.03169 73 10PZ 0.00000 -0.00282 0.06797 0.00000 0.00000 74 11PX -0.37825 0.00000 0.00000 -0.61637 0.05678 75 11PY -0.35012 0.00000 0.00000 0.21577 -0.03523 76 11PZ 0.00000 0.03048 0.43332 0.00000 0.00000 77 12PX 1.49424 0.00000 0.00000 1.93433 -0.16658 78 12PY 0.16475 0.00000 0.00000 -0.28286 0.33324 79 12PZ 0.00000 -0.35211 -0.68161 0.00000 0.00000 80 13D 0 0.03352 0.00000 0.00000 0.08944 0.01484 81 13D+1 0.00000 0.10326 0.06475 0.00000 0.00000 82 13D-1 0.00000 0.03028 -0.13635 0.00000 0.00000 83 13D+2 -0.08470 0.00000 0.00000 0.00112 -0.02186 84 13D-2 -0.06407 0.00000 0.00000 0.07523 -0.01672 85 14D 0 0.13891 0.00000 0.00000 0.32524 -0.00049 86 14D+1 0.00000 0.48557 0.33839 0.00000 0.00000 87 14D-1 0.00000 0.07179 -0.54565 0.00000 0.00000 88 14D+2 -0.37067 0.00000 0.00000 0.05528 0.01621 89 14D-2 -0.29976 0.00000 0.00000 0.24751 -0.01621 90 4 H 1S -0.02768 0.00000 0.00000 -0.07153 -0.03280 91 2S -0.33539 0.00000 0.00000 -0.99193 -0.26459 92 3S 2.12517 0.00000 0.00000 3.28204 0.15464 93 4PX 0.00210 0.00000 0.00000 -0.04238 0.00041 94 4PY 0.04255 0.00000 0.00000 -0.02694 0.03510 95 4PZ 0.00000 -0.03737 -0.05394 0.00000 0.00000 96 5 H 1S -0.02864 -0.03741 0.03563 0.00537 -0.01566 97 2S -0.02995 -0.69375 0.64115 0.13781 -0.44880 98 3S -0.64520 1.83846 -0.88218 -0.58811 0.17758 99 4PX 0.01969 -0.01059 0.02920 -0.01053 -0.02400 100 4PY -0.01324 0.02431 0.00245 -0.00595 0.00318 101 4PZ 0.00391 0.05085 -0.03563 -0.00319 0.00583 102 6 H 1S -0.02864 0.03741 -0.03563 0.00537 -0.01566 103 2S -0.02995 0.69375 -0.64115 0.13781 -0.44880 104 3S -0.64520 -1.83846 0.88218 -0.58811 0.17758 105 4PX 0.01969 0.01059 -0.02920 -0.01053 -0.02400 106 4PY -0.01324 -0.02431 -0.00245 -0.00595 0.00318 107 4PZ -0.00391 0.05085 -0.03563 0.00319 -0.00583 108 7 H 1S -0.01827 0.00000 0.00000 0.02737 0.01051 109 2S -0.58897 0.00000 0.00000 0.58328 0.60131 110 3S 1.11681 0.00000 0.00000 -0.97826 -1.18010 111 4PX 0.02864 0.00000 0.00000 -0.01505 -0.02346 112 4PY 0.01664 0.00000 0.00000 -0.03541 -0.03740 113 4PZ 0.00000 0.02935 -0.00614 0.00000 0.00000 114 8 H 1S -0.00968 -0.05127 0.00487 -0.01228 -0.04102 115 2S 0.19789 -0.84308 -0.23663 -0.00466 -0.80654 116 3S -0.90193 0.83292 0.50548 0.00734 0.48909 117 4PX -0.00991 0.00515 0.01094 -0.01393 0.02834 118 4PY -0.00075 -0.01854 -0.00758 -0.01589 -0.02382 119 4PZ -0.01106 0.05211 0.00389 0.00073 0.01241 120 9 H 1S -0.00968 0.05127 -0.00487 -0.01228 -0.04102 121 2S 0.19789 0.84308 0.23663 -0.00466 -0.80654 122 3S -0.90193 -0.83292 -0.50548 0.00734 0.48909 123 4PX -0.00991 -0.00515 -0.01094 -0.01393 0.02834 124 4PY -0.00075 0.01854 0.00758 -0.01589 -0.02382 125 4PZ 0.01106 0.05211 0.00389 -0.00073 -0.01241 46 47 48 49 50 V V V V V Eigenvalues -- 0.42472 0.45118 0.52162 0.53256 0.53437 1 1 C 1S 0.00000 0.01532 -0.02614 0.00000 -0.01836 2 2S 0.00000 0.02859 -0.04741 0.00000 -0.03295 3 2PX 0.00000 0.11731 -0.10578 0.00000 -0.17871 4 2PY 0.00000 0.00874 -0.01417 0.00000 0.05207 5 2PZ 0.07960 0.00000 0.00000 -0.12496 0.00000 6 3S 0.00000 -0.14410 0.17860 0.00000 0.22280 7 3PX 0.00000 0.19711 -0.19862 0.00000 -0.11998 8 3PY 0.00000 0.09132 0.03426 0.00000 0.06638 9 3PZ 0.10747 0.00000 0.00000 -0.33189 0.00000 10 4S 0.00000 0.28394 -0.03590 0.00000 -3.54171 11 4PX 0.00000 -0.39303 1.73667 0.00000 3.27622 12 4PY 0.00000 -0.11697 1.06362 0.00000 -1.10575 13 4PZ -1.12168 0.00000 0.00000 2.21309 0.00000 14 5S 0.00000 -0.98448 0.91153 0.00000 2.33184 15 5PX 0.00000 0.77757 -0.66976 0.00000 -0.82500 16 5PY 0.00000 0.34608 -0.57071 0.00000 0.71145 17 5PZ 1.60278 0.00000 0.00000 -0.20985 0.00000 18 6D 0 0.00000 0.00556 0.00293 0.00000 -0.00484 19 6D+1 0.00583 0.00000 0.00000 0.02145 0.00000 20 6D-1 -0.01270 0.00000 0.00000 -0.00063 0.00000 21 6D+2 0.00000 -0.00392 0.01546 0.00000 -0.00217 22 6D-2 0.00000 -0.01565 -0.00354 0.00000 -0.00501 23 7D 0 0.00000 -0.19760 0.09229 0.00000 0.31499 24 7D+1 -0.09371 0.00000 0.00000 0.42042 0.00000 25 7D-1 -0.03292 0.00000 0.00000 -0.13723 0.00000 26 7D+2 0.00000 0.07206 -0.19607 0.00000 -0.52827 27 7D-2 0.00000 0.11776 0.36803 0.00000 -0.15485 28 2 C 1S 0.00000 -0.02058 0.00848 0.00000 0.01679 29 2S 0.00000 -0.04079 0.01160 0.00000 0.03123 30 2PX 0.00000 0.02495 -0.13750 0.00000 -0.20595 31 2PY 0.00000 -0.10200 -0.01903 0.00000 0.05199 32 2PZ -0.04581 0.00000 0.00000 -0.02807 0.00000 33 3S 0.00000 0.25059 -0.08000 0.00000 -0.20142 34 3PX 0.00000 -0.13506 -0.13121 0.00000 -0.32389 35 3PY 0.00000 -0.34467 -0.03938 0.00000 -0.00003 36 3PZ -0.18472 0.00000 0.00000 -0.01737 0.00000 37 4S 0.00000 -0.92413 1.55796 0.00000 2.79501 38 4PX 0.00000 0.17330 0.39235 0.00000 3.93554 39 4PY 0.00000 2.43701 0.36375 0.00000 -0.34095 40 4PZ 0.31963 0.00000 0.00000 -0.77859 0.00000 41 5S 0.00000 5.12686 -0.03355 0.00000 -0.05662 42 5PX 0.00000 -0.18529 -0.05584 0.00000 -1.72203 43 5PY 0.00000 -2.11368 -0.13036 0.00000 -1.10681 44 5PZ -0.98630 0.00000 0.00000 0.87177 0.00000 45 6D 0 0.00000 -0.01976 -0.01570 0.00000 0.00322 46 6D+1 -0.01497 0.00000 0.00000 -0.01108 0.00000 47 6D-1 0.00217 0.00000 0.00000 0.00294 0.00000 48 6D+2 0.00000 -0.02532 0.00446 0.00000 -0.00804 49 6D-2 0.00000 0.01742 -0.00081 0.00000 0.00984 50 7D 0 0.00000 0.18314 -0.07341 0.00000 -0.44080 51 7D+1 0.06264 0.00000 0.00000 -0.33955 0.00000 52 7D-1 -0.16817 0.00000 0.00000 -0.02609 0.00000 53 7D+2 0.00000 -0.06001 0.16405 0.00000 0.50044 54 7D-2 0.00000 -0.08904 -0.29867 0.00000 0.16501 55 3 S 1S 0.00000 0.00075 -0.00325 0.00000 0.00705 56 2S 0.00000 0.00164 -0.00922 0.00000 0.01949 57 3S 0.00000 0.00098 0.01957 0.00000 -0.03678 58 4S 0.00000 -0.02717 0.04479 0.00000 -0.11493 59 5S 0.00000 0.05553 -0.20413 0.00000 0.46973 60 6S 0.00000 0.76286 0.27732 0.00000 -0.59165 61 7S 0.00000 -2.90483 -0.96171 0.00000 -1.83894 62 7PX 0.00000 -0.77130 -0.59963 0.00000 0.41626 63 7PY 0.00000 -1.45066 -0.14396 0.00000 -1.05604 64 7PZ -0.05754 0.00000 0.00000 -0.33155 0.00000 65 8PX 0.00000 0.01813 0.00851 0.00000 -0.00307 66 8PY 0.00000 0.02243 0.00143 0.00000 0.00018 67 8PZ 0.00442 0.00000 0.00000 0.00605 0.00000 68 9PX 0.00000 0.03674 0.01553 0.00000 -0.00782 69 9PY 0.00000 0.04522 0.00493 0.00000 -0.00077 70 9PZ 0.00613 0.00000 0.00000 0.01081 0.00000 71 10PX 0.00000 -0.09151 -0.02589 0.00000 0.03017 72 10PY 0.00000 -0.11051 -0.03048 0.00000 0.00996 73 10PZ 0.00504 0.00000 0.00000 -0.01555 0.00000 74 11PX 0.00000 0.07637 -0.09670 0.00000 -0.08930 75 11PY 0.00000 0.16387 0.15359 0.00000 -0.02269 76 11PZ -0.13707 0.00000 0.00000 -0.08067 0.00000 77 12PX 0.00000 1.03788 0.90881 0.00000 -0.10004 78 12PY 0.00000 1.33454 -0.11634 0.00000 0.63159 79 12PZ 0.31120 0.00000 0.00000 0.48360 0.00000 80 13D 0 0.00000 -0.04752 0.05224 0.00000 -0.06294 81 13D+1 0.10787 0.00000 0.00000 0.06825 0.00000 82 13D-1 0.00090 0.00000 0.00000 0.06411 0.00000 83 13D+2 0.00000 -0.02609 0.07859 0.00000 -0.02734 84 13D-2 0.00000 0.04503 0.04770 0.00000 0.02785 85 14D 0 0.00000 -0.30146 0.17930 0.00000 -0.27398 86 14D+1 0.48333 0.00000 0.00000 0.27507 0.00000 87 14D-1 -0.05157 0.00000 0.00000 0.31597 0.00000 88 14D+2 0.00000 -0.24442 0.30401 0.00000 -0.16622 89 14D-2 0.00000 0.38345 0.26900 0.00000 0.02859 90 4 H 1S 0.00000 -0.00641 0.00638 0.00000 -0.00895 91 2S 0.00000 0.06174 0.01674 0.00000 -0.12569 92 3S 0.00000 0.15571 0.36698 0.00000 0.53698 93 4PX 0.00000 0.02580 -0.01295 0.00000 -0.00845 94 4PY 0.00000 -0.01572 -0.04348 0.00000 -0.02851 95 4PZ -0.05460 0.00000 0.00000 -0.02478 0.00000 96 5 H 1S 0.02888 -0.05076 -0.01729 0.03548 -0.00505 97 2S 0.10166 -0.79398 -0.39287 0.54783 0.34909 98 3S 0.28702 -0.22725 -0.08875 -1.07256 0.31967 99 4PX -0.02794 -0.01245 -0.02587 -0.00990 0.01256 100 4PY 0.00161 0.02790 0.02821 -0.00389 -0.03691 101 4PZ -0.02164 0.01812 -0.00833 -0.00047 -0.03453 102 6 H 1S -0.02888 -0.05076 -0.01729 -0.03548 -0.00505 103 2S -0.10166 -0.79398 -0.39287 -0.54783 0.34909 104 3S -0.28702 -0.22725 -0.08875 1.07256 0.31967 105 4PX 0.02794 -0.01245 -0.02587 0.00990 0.01256 106 4PY -0.00161 0.02790 0.02821 0.00389 -0.03691 107 4PZ -0.02164 -0.01812 0.00833 -0.00047 0.03453 108 7 H 1S 0.00000 -0.04207 -0.06611 0.00000 -0.02736 109 2S 0.00000 -0.26841 -1.49689 0.00000 0.16007 110 3S 0.00000 -0.01936 0.30316 0.00000 -0.04679 111 4PX 0.00000 -0.03014 0.04268 0.00000 -0.04369 112 4PY 0.00000 0.03415 0.06774 0.00000 -0.00973 113 4PZ -0.01322 0.00000 0.00000 0.02007 0.00000 114 8 H 1S 0.03816 0.01546 -0.03012 0.05626 -0.01311 115 2S 0.96189 0.37612 -0.10306 -0.41582 -0.42749 116 3S -1.49639 -0.62953 -0.33388 -1.27247 -0.38512 117 4PX -0.03355 0.00239 -0.01471 0.06835 0.00699 118 4PY 0.01799 0.02153 0.03589 -0.02807 -0.03724 119 4PZ -0.04964 -0.02239 -0.00299 0.05017 0.02858 120 9 H 1S -0.03816 0.01546 -0.03012 -0.05626 -0.01311 121 2S -0.96189 0.37612 -0.10306 0.41582 -0.42749 122 3S 1.49639 -0.62953 -0.33388 1.27247 -0.38512 123 4PX 0.03355 0.00239 -0.01471 -0.06835 0.00699 124 4PY -0.01799 0.02153 0.03589 0.02807 -0.03724 125 4PZ -0.04964 0.02239 0.00299 0.05017 -0.02858 51 52 53 54 55 V V V V V Eigenvalues -- 0.58212 0.59194 0.59490 0.61147 0.65431 1 1 C 1S -0.00743 -0.01195 0.00000 0.00000 0.01477 2 2S -0.01217 -0.02064 0.00000 0.00000 0.02191 3 2PX 0.07542 -0.00512 0.00000 0.00000 -0.09085 4 2PY 0.21288 0.01613 0.00000 0.00000 0.08556 5 2PZ 0.00000 0.00000 -0.20712 -0.12612 0.00000 6 3S -0.04674 0.10888 0.00000 0.00000 0.21042 7 3PX 0.15164 0.11382 0.00000 0.00000 -0.39657 8 3PY 0.61783 0.03909 0.00000 0.00000 0.24134 9 3PZ 0.00000 0.00000 -0.60279 -0.37087 0.00000 10 4S 1.68423 -0.95518 0.00000 0.00000 -2.41649 11 4PX -1.13357 0.39537 0.00000 0.00000 1.36728 12 4PY -1.89307 -0.79235 0.00000 0.00000 -0.94205 13 4PZ 0.00000 0.00000 1.59096 0.45735 0.00000 14 5S -0.92185 12.58475 0.00000 0.00000 8.99954 15 5PX 0.02954 -3.30819 0.00000 0.00000 -2.23729 16 5PY -1.31495 0.44498 0.00000 0.00000 -0.31720 17 5PZ 0.00000 0.00000 0.98995 0.16198 0.00000 18 6D 0 0.00877 0.00170 0.00000 0.00000 -0.00251 19 6D+1 0.00000 0.00000 0.00647 -0.00715 0.00000 20 6D-1 0.00000 0.00000 -0.01032 -0.00323 0.00000 21 6D+2 0.00395 -0.00523 0.00000 0.00000 0.00615 22 6D-2 -0.01546 -0.00489 0.00000 0.00000 -0.00226 23 7D 0 0.20472 -0.00964 0.00000 0.00000 0.16237 24 7D+1 0.00000 0.00000 -0.10749 0.03071 0.00000 25 7D-1 0.00000 0.00000 -0.34634 -0.32725 0.00000 26 7D+2 0.24198 -0.19392 0.00000 0.00000 0.10253 27 7D-2 -0.31572 -0.08021 0.00000 0.00000 -0.19293 28 2 C 1S -0.00491 0.00281 0.00000 0.00000 -0.03857 29 2S -0.00867 0.00421 0.00000 0.00000 -0.07097 30 2PX 0.02207 -0.09705 0.00000 0.00000 -0.00902 31 2PY 0.00814 -0.14263 0.00000 0.00000 -0.00154 32 2PZ 0.00000 0.00000 0.17223 -0.20152 0.00000 33 3S 0.09399 -0.06579 0.00000 0.00000 0.33252 34 3PX 0.05385 -0.28637 0.00000 0.00000 0.06526 35 3PY 0.08751 -0.38819 0.00000 0.00000 -0.00932 36 3PZ 0.00000 0.00000 0.49664 -0.63637 0.00000 37 4S -1.36446 0.93112 0.00000 0.00000 1.36634 38 4PX -1.35242 1.43459 0.00000 0.00000 0.77329 39 4PY -0.18297 1.52129 0.00000 0.00000 -0.66097 40 4PZ 0.00000 0.00000 -1.40653 2.91708 0.00000 41 5S 3.27071 -11.20184 0.00000 0.00000 -5.70031 42 5PX 0.58412 -4.46187 0.00000 0.00000 -1.62275 43 5PY -0.20863 -0.18310 0.00000 0.00000 -0.78600 44 5PZ 0.00000 0.00000 -1.75219 0.44680 0.00000 45 6D 0 0.00120 -0.00065 0.00000 0.00000 -0.00015 46 6D+1 0.00000 0.00000 0.01474 0.00042 0.00000 47 6D-1 0.00000 0.00000 -0.01219 0.00424 0.00000 48 6D+2 0.00916 -0.01136 0.00000 0.00000 0.00686 49 6D-2 -0.00421 0.00844 0.00000 0.00000 -0.00470 50 7D 0 0.14495 0.28939 0.00000 0.00000 -0.28848 51 7D+1 0.00000 0.00000 0.01923 -0.10522 0.00000 52 7D-1 0.00000 0.00000 -0.22844 0.48922 0.00000 53 7D+2 -0.01229 0.24563 0.00000 0.00000 0.01264 54 7D-2 0.27716 -0.10679 0.00000 0.00000 0.00477 55 3 S 1S -0.00519 -0.01614 0.00000 0.00000 0.00367 56 2S -0.01439 -0.04466 0.00000 0.00000 0.00984 57 3S 0.02753 0.08449 0.00000 0.00000 -0.01535 58 4S 0.08390 0.26541 0.00000 0.00000 -0.07534 59 5S -0.33563 -1.21064 0.00000 0.00000 0.50698 60 6S 0.23805 3.06891 0.00000 0.00000 -1.38972 61 7S -2.00377 -1.04501 0.00000 0.00000 -1.87120 62 7PX -0.56587 -0.13903 0.00000 0.00000 -0.87136 63 7PY -0.29396 -0.50250 0.00000 0.00000 -0.12298 64 7PZ 0.00000 0.00000 0.52409 0.30002 0.00000 65 8PX 0.00261 -0.01600 0.00000 0.00000 -0.01378 66 8PY 0.00299 0.01596 0.00000 0.00000 0.00687 67 8PZ 0.00000 0.00000 0.00222 -0.00419 0.00000 68 9PX 0.00309 -0.02685 0.00000 0.00000 -0.02754 69 9PY 0.00449 0.03898 0.00000 0.00000 0.00979 70 9PZ 0.00000 0.00000 0.00591 -0.00938 0.00000 71 10PX 0.01097 0.01891 0.00000 0.00000 0.05755 72 10PY 0.00278 -0.14597 0.00000 0.00000 0.01111 73 10PZ 0.00000 0.00000 -0.02319 0.02748 0.00000 74 11PX -0.11706 0.42056 0.00000 0.00000 0.05058 75 11PY -0.13883 0.45841 0.00000 0.00000 -0.26985 76 11PZ 0.00000 0.00000 0.06411 -0.02211 0.00000 77 12PX -0.52459 -0.85228 0.00000 0.00000 0.39644 78 12PY -0.29435 0.53506 0.00000 0.00000 -0.77620 79 12PZ 0.00000 0.00000 -0.01542 -0.68563 0.00000 80 13D 0 -0.01449 0.10312 0.00000 0.00000 0.06869 81 13D+1 0.00000 0.00000 -0.01794 -0.04655 0.00000 82 13D-1 0.00000 0.00000 -0.03591 -0.02740 0.00000 83 13D+2 0.04006 -0.01093 0.00000 0.00000 0.01453 84 13D-2 0.01299 -0.06738 0.00000 0.00000 0.02406 85 14D 0 -0.05919 0.36505 0.00000 0.00000 0.47878 86 14D+1 0.00000 0.00000 -0.04234 -0.19574 0.00000 87 14D-1 0.00000 0.00000 -0.13509 -0.22034 0.00000 88 14D+2 0.29971 -0.22430 0.00000 0.00000 -0.07077 89 14D-2 0.00715 -0.12607 0.00000 0.00000 0.09815 90 4 H 1S -0.00849 0.08685 0.00000 0.00000 0.04600 91 2S -0.23971 0.69536 0.00000 0.00000 0.88990 92 3S -0.40867 -2.00591 0.00000 0.00000 -0.16830 93 4PX -0.02360 -0.02943 0.00000 0.00000 0.02523 94 4PY 0.00200 0.00449 0.00000 0.00000 -0.04583 95 4PZ 0.00000 0.00000 0.00630 0.01531 0.00000 96 5 H 1S -0.01800 0.01043 -0.07639 0.05731 -0.01317 97 2S 0.03011 -0.23297 -0.37510 -0.51351 -0.25846 98 3S -0.20160 0.02099 2.17838 -1.96316 1.12482 99 4PX -0.00408 -0.01212 0.05151 -0.00840 -0.02559 100 4PY -0.02075 0.00528 -0.02044 0.05112 -0.00578 101 4PZ -0.00491 0.03156 -0.01569 0.08911 -0.03436 102 6 H 1S -0.01800 0.01043 0.07639 -0.05731 -0.01317 103 2S 0.03011 -0.23297 0.37510 0.51351 -0.25846 104 3S -0.20160 0.02099 -2.17838 1.96316 1.12482 105 4PX -0.00408 -0.01212 -0.05151 0.00840 -0.02559 106 4PY -0.02075 0.00528 0.02044 -0.05112 -0.00578 107 4PZ 0.00491 -0.03156 -0.01569 0.08911 0.03436 108 7 H 1S -0.12657 -0.01908 0.00000 0.00000 0.02715 109 2S -0.47959 0.14356 0.00000 0.00000 1.17663 110 3S 3.04444 -0.25980 0.00000 0.00000 -0.27127 111 4PX -0.05241 -0.04713 0.00000 0.00000 -0.03730 112 4PY -0.07695 0.00283 0.00000 0.00000 -0.05660 113 4PZ 0.00000 0.00000 -0.02656 -0.02629 0.00000 114 8 H 1S 0.03122 -0.01331 0.06922 0.03321 0.08057 115 2S -0.22713 -0.18445 0.20677 0.08280 1.02000 116 3S -1.31562 -0.20910 -1.62091 -1.04154 -2.11873 117 4PX 0.03494 0.01088 0.03673 -0.02999 -0.00652 118 4PY -0.00561 -0.00326 -0.03721 -0.03407 -0.00612 119 4PZ 0.03482 -0.01080 0.03106 0.05039 0.01064 120 9 H 1S 0.03122 -0.01331 -0.06922 -0.03321 0.08057 121 2S -0.22713 -0.18445 -0.20677 -0.08280 1.02000 122 3S -1.31562 -0.20910 1.62091 1.04154 -2.11873 123 4PX 0.03494 0.01088 -0.03673 0.02999 -0.00652 124 4PY -0.00561 -0.00326 0.03721 0.03407 -0.00612 125 4PZ -0.03482 0.01080 0.03106 0.05039 -0.01064 56 57 58 59 60 V V V V V Eigenvalues -- 0.70029 0.74131 0.77397 0.78187 0.81019 1 1 C 1S -0.01117 0.06111 0.02835 -0.05735 0.00000 2 2S -0.02278 0.11601 0.05549 -0.11067 0.00000 3 2PX -0.07922 -0.06477 -0.04673 0.06061 0.00000 4 2PY 0.07054 0.02677 -0.08887 -0.00820 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.02352 6 3S 0.18109 -0.76328 -0.54559 0.92634 0.00000 7 3PX -0.26987 -0.15817 -0.23984 0.22695 0.00000 8 3PY 0.22129 0.13557 -0.31059 -0.06548 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.22691 10 4S 0.07734 0.36667 3.47260 -3.45459 0.00000 11 4PX 0.59821 1.96260 -0.39616 -1.29791 0.00000 12 4PY -0.80250 -0.56607 2.05480 0.15753 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.73355 14 5S -8.00859 11.02655 -2.94877 -10.40035 0.00000 15 5PX 2.01196 -2.61071 1.00434 2.60495 0.00000 16 5PY -0.68949 0.11920 -0.05906 0.22593 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 -0.02966 18 6D 0 0.00069 0.00336 0.00349 -0.00006 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00202 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00042 21 6D+2 0.00489 0.00313 0.00229 -0.00120 0.00000 22 6D-2 -0.00703 -0.00279 -0.01417 -0.00067 0.00000 23 7D 0 0.12290 0.16501 -0.52602 -0.23567 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.52297 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.08537 26 7D+2 0.01123 -0.20100 -0.33724 0.32688 0.00000 27 7D-2 0.14564 0.33205 -0.43240 -0.06342 0.00000 28 2 C 1S 0.05809 -0.01317 -0.00160 -0.05109 0.00000 29 2S 0.10496 -0.02480 -0.00501 -0.09827 0.00000 30 2PX 0.06612 -0.00929 0.03380 -0.04175 0.00000 31 2PY -0.14006 -0.06545 -0.05822 -0.10197 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.01645 33 3S -0.53329 0.07042 0.15244 0.77800 0.00000 34 3PX 0.32976 -0.06585 0.19506 -0.24894 0.00000 35 3PY -0.57055 -0.20083 -0.21192 -0.51316 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.01762 37 4S 1.38891 1.78208 -1.47052 -2.24286 0.00000 38 4PX -0.46874 1.81933 -2.08287 0.68689 0.00000 39 4PY 2.17614 0.96830 -0.71388 -0.02257 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 2.42372 41 5S 21.89364 -5.94412 3.38501 11.73310 0.00000 42 5PX 1.46514 -3.02159 1.36962 1.64124 0.00000 43 5PY -3.04983 -0.69427 0.19527 -1.42042 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.22937 45 6D 0 -0.00072 0.00040 -0.00288 0.00457 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00983 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00779 48 6D+2 -0.00364 -0.00453 0.01577 0.00198 0.00000 49 6D-2 -0.00737 -0.00285 0.01197 -0.00225 0.00000 50 7D 0 0.12056 0.04537 0.07494 -0.40307 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 -0.53497 52 7D-1 0.00000 0.00000 0.00000 0.00000 -0.17029 53 7D+2 0.01552 0.15501 -0.06494 0.15211 0.00000 54 7D-2 -0.07608 -0.07483 0.17560 0.10995 0.00000 55 3 S 1S 0.00599 -0.00657 -0.00085 0.00895 0.00000 56 2S 0.01654 -0.01793 -0.00238 0.02452 0.00000 57 3S -0.03107 0.03145 0.00466 -0.04394 0.00000 58 4S -0.10122 0.12235 0.01362 -0.16172 0.00000 59 5S 0.40848 -0.77132 -0.02784 0.70064 0.00000 60 6S -0.28455 2.04030 -0.62684 -0.81386 0.00000 61 7S -8.89947 -2.94184 0.22271 -2.78439 0.00000 62 7PX -1.29182 0.13928 -0.37007 0.19743 0.00000 63 7PY -2.53106 -1.06154 0.26617 -0.89028 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.47467 65 8PX -0.00243 0.02299 -0.00606 0.01712 0.00000 66 8PY -0.01559 0.00022 0.00659 0.00564 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.01572 68 9PX -0.00113 0.04352 -0.01426 0.03373 0.00000 69 9PY -0.02879 0.00609 0.01135 0.01343 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.02968 71 10PX -0.02988 -0.07399 0.05297 -0.07611 0.00000 72 10PY 0.04519 -0.06225 -0.01001 -0.04994 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 -0.05823 74 11PX 0.27449 -0.26105 -0.13606 -0.08532 0.00000 75 11PY 0.34313 0.38843 -0.22075 0.19426 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 -0.15083 77 12PX 0.02743 -0.79073 0.90412 -0.06433 0.00000 78 12PY -0.04524 0.59068 -0.44330 -0.31604 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 -0.83749 80 13D 0 -0.01424 -0.03621 0.00259 0.02324 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 -0.03481 82 13D-1 0.00000 0.00000 0.00000 0.00000 -0.15093 83 13D+2 -0.03960 0.06700 0.09618 0.08952 0.00000 84 13D-2 0.01093 -0.11564 0.05847 -0.09652 0.00000 85 14D 0 -0.09211 -0.40048 0.01984 0.07021 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 -0.25708 87 14D-1 0.00000 0.00000 0.00000 0.00000 -0.75740 88 14D+2 -0.22687 0.46220 0.49902 0.37846 0.00000 89 14D-2 0.19787 -0.54863 0.18938 -0.44092 0.00000 90 4 H 1S -0.01360 -0.04252 0.00161 -0.03578 0.00000 91 2S 0.06755 -1.47659 -0.13907 -0.79431 0.00000 92 3S 0.27193 0.46520 0.46583 1.24706 0.00000 93 4PX 0.02885 -0.04135 -0.02665 0.01453 0.00000 94 4PY 0.00117 0.01497 -0.04338 -0.06112 0.00000 95 4PZ 0.00000 0.00000 0.00000 0.00000 -0.04896 96 5 H 1S 0.11950 -0.00347 0.00424 0.00889 -0.01459 97 2S 0.88772 -0.20343 0.34364 0.73046 -1.00737 98 3S -4.34353 -0.24603 -0.49082 -0.05814 -0.25965 99 4PX -0.02596 -0.00609 0.00139 0.01957 -0.07654 100 4PY 0.03187 0.00220 -0.04662 -0.04757 -0.06744 101 4PZ 0.04818 0.00207 0.01583 -0.06314 0.07292 102 6 H 1S 0.11950 -0.00347 0.00424 0.00889 0.01459 103 2S 0.88772 -0.20343 0.34364 0.73046 1.00737 104 3S -4.34353 -0.24603 -0.49082 -0.05814 0.25965 105 4PX -0.02596 -0.00609 0.00139 0.01957 0.07654 106 4PY 0.03187 0.00220 -0.04662 -0.04757 0.06744 107 4PZ -0.04818 -0.00207 -0.01583 0.06314 0.07292 108 7 H 1S -0.02443 0.04913 0.01500 -0.03583 0.00000 109 2S -0.17852 0.19770 -0.72108 0.22542 0.00000 110 3S 0.69423 -1.65839 -1.41362 1.63033 0.00000 111 4PX -0.01761 0.02221 -0.02360 -0.05473 0.00000 112 4PY 0.00039 0.07921 0.12429 -0.06887 0.00000 113 4PZ 0.00000 0.00000 0.00000 0.00000 0.03087 114 8 H 1S 0.02710 0.06747 0.03807 -0.02848 -0.00639 115 2S 0.13593 0.46710 0.18936 0.22216 -0.13708 116 3S -1.21066 -2.24168 -0.12516 1.88627 0.28936 117 4PX 0.01595 0.01615 0.05961 0.00205 0.01972 118 4PY 0.00175 -0.00890 -0.00809 0.03708 0.02093 119 4PZ 0.00506 0.05680 -0.00365 -0.06572 0.02614 120 9 H 1S 0.02710 0.06747 0.03807 -0.02848 0.00639 121 2S 0.13593 0.46710 0.18936 0.22216 0.13708 122 3S -1.21066 -2.24168 -0.12516 1.88627 -0.28936 123 4PX 0.01595 0.01615 0.05961 0.00205 -0.01972 124 4PY 0.00175 -0.00890 -0.00809 0.03708 -0.02093 125 4PZ -0.00506 -0.05680 0.00365 0.06572 0.02614 61 62 63 64 65 V V V V V Eigenvalues -- 0.86266 0.90768 0.91594 1.01912 1.03789 1 1 C 1S -0.02960 0.00000 0.05418 -0.00246 0.00000 2 2S -0.05827 0.00000 0.11350 -0.00736 0.00000 3 2PX -0.02375 0.00000 0.03040 0.04254 0.00000 4 2PY -0.00462 0.00000 0.04515 0.10441 0.00000 5 2PZ 0.00000 -0.05047 0.00000 0.00000 -0.00155 6 3S 0.57366 0.00000 -1.46661 0.25299 0.00000 7 3PX -0.06528 0.00000 0.08345 0.19933 0.00000 8 3PY 0.13944 0.00000 0.17452 0.58005 0.00000 9 3PZ 0.00000 -0.25248 0.00000 0.00000 0.25136 10 4S -2.28484 0.00000 8.24082 -2.76366 0.00000 11 4PX -0.01621 0.00000 -2.15456 1.36623 0.00000 12 4PY 1.31989 0.00000 0.27149 1.93495 0.00000 13 4PZ 0.00000 -2.58466 0.00000 0.00000 0.16520 14 5S 4.71276 0.00000 -4.50115 -0.20336 0.00000 15 5PX -1.26985 0.00000 1.39996 -0.17059 0.00000 16 5PY -0.33757 0.00000 -0.38738 -0.65102 0.00000 17 5PZ 0.00000 0.46745 0.00000 0.00000 -0.33789 18 6D 0 0.00237 0.00000 -0.00146 -0.01187 0.00000 19 6D+1 0.00000 0.00116 0.00000 0.00000 -0.01406 20 6D-1 0.00000 0.00230 0.00000 0.00000 -0.00701 21 6D+2 0.00026 0.00000 -0.00530 -0.00562 0.00000 22 6D-2 -0.00735 0.00000 0.00660 0.01195 0.00000 23 7D 0 -0.58443 0.00000 -0.06923 -1.01929 0.00000 24 7D+1 0.00000 0.26036 0.00000 0.00000 1.37396 25 7D-1 0.00000 0.98984 0.00000 0.00000 -0.71445 26 7D+2 -0.02166 0.00000 -0.16802 -0.79076 0.00000 27 7D-2 0.46802 0.00000 0.22598 0.48318 0.00000 28 2 C 1S -0.00777 0.00000 -0.05812 0.03335 0.00000 29 2S -0.02073 0.00000 -0.12559 0.07861 0.00000 30 2PX 0.01762 0.00000 0.00925 -0.00332 0.00000 31 2PY 0.06349 0.00000 -0.01387 -0.03009 0.00000 32 2PZ 0.00000 0.04770 0.00000 0.00000 -0.00514 33 3S 0.53221 0.00000 1.56600 -1.13027 0.00000 34 3PX 0.10213 0.00000 0.06845 0.06580 0.00000 35 3PY 0.18575 0.00000 -0.21690 0.27031 0.00000 36 3PZ 0.00000 0.22545 0.00000 0.00000 -0.26302 37 4S -3.44389 0.00000 -7.81514 5.32347 0.00000 38 4PX 1.27719 0.00000 -2.29031 0.70330 0.00000 39 4PY -0.21686 0.00000 -0.51335 -2.59321 0.00000 40 4PZ 0.00000 2.67553 0.00000 0.00000 -0.18992 41 5S -4.26735 0.00000 3.74398 -0.95242 0.00000 42 5PX -1.51211 0.00000 1.68126 0.22586 0.00000 43 5PY 0.50252 0.00000 0.22550 0.56790 0.00000 44 5PZ 0.00000 -0.39833 0.00000 0.00000 0.45694 45 6D 0 -0.01512 0.00000 -0.01107 0.01228 0.00000 46 6D+1 0.00000 -0.00247 0.00000 0.00000 -0.01012 47 6D-1 0.00000 0.00168 0.00000 0.00000 -0.00577 48 6D+2 -0.01153 0.00000 0.00016 -0.00282 0.00000 49 6D-2 0.00958 0.00000 -0.00551 -0.02084 0.00000 50 7D 0 -0.41490 0.00000 -0.41566 -0.38787 0.00000 51 7D+1 0.00000 0.22884 0.00000 0.00000 1.39739 52 7D-1 0.00000 0.93011 0.00000 0.00000 -0.72137 53 7D+2 0.19640 0.00000 -0.33191 -0.32584 0.00000 54 7D-2 0.14601 0.00000 0.23221 -0.22966 0.00000 55 3 S 1S -0.01995 0.00000 0.00316 0.00199 0.00000 56 2S -0.05426 0.00000 0.00876 0.00507 0.00000 57 3S 0.09330 0.00000 -0.01678 -0.00536 0.00000 58 4S 0.38285 0.00000 -0.05391 -0.05396 0.00000 59 5S -2.04023 0.00000 0.25595 0.56207 0.00000 60 6S 3.92263 0.00000 -0.16106 -3.00901 0.00000 61 7S -0.90690 0.00000 0.89214 0.78833 0.00000 62 7PX -0.62164 0.00000 0.06844 0.34818 0.00000 63 7PY -1.12828 0.00000 0.22734 0.84290 0.00000 64 7PZ 0.00000 0.04643 0.00000 0.00000 -0.10868 65 8PX -0.00652 0.00000 0.00916 0.03083 0.00000 66 8PY -0.02066 0.00000 0.00265 0.02756 0.00000 67 8PZ 0.00000 -0.00139 0.00000 0.00000 0.00314 68 9PX -0.01680 0.00000 0.02433 0.06281 0.00000 69 9PY -0.03674 0.00000 0.00715 0.04975 0.00000 70 9PZ 0.00000 -0.00362 0.00000 0.00000 0.00704 71 10PX 0.07819 0.00000 -0.10471 -0.16284 0.00000 72 10PY 0.05408 0.00000 -0.02809 -0.06822 0.00000 73 10PZ 0.00000 0.01305 0.00000 0.00000 -0.02252 74 11PX -0.20670 0.00000 0.26298 -0.34178 0.00000 75 11PY 0.27709 0.00000 0.04673 -0.80232 0.00000 76 11PZ 0.00000 -0.06205 0.00000 0.00000 0.01037 77 12PX 0.71533 0.00000 -0.27054 -0.37185 0.00000 78 12PY 1.80366 0.00000 0.13146 -1.34123 0.00000 79 12PZ 0.00000 -0.10037 0.00000 0.00000 0.03447 80 13D 0 -0.05776 0.00000 0.08195 0.02140 0.00000 81 13D+1 0.00000 0.04352 0.00000 0.00000 -0.04863 82 13D-1 0.00000 -0.00753 0.00000 0.00000 0.02594 83 13D+2 -0.05980 0.00000 -0.07401 0.00123 0.00000 84 13D-2 0.06469 0.00000 -0.01873 -0.06040 0.00000 85 14D 0 -0.40966 0.00000 0.27372 0.29234 0.00000 86 14D+1 0.00000 0.12693 0.00000 0.00000 -0.14405 87 14D-1 0.00000 0.01459 0.00000 0.00000 0.08728 88 14D+2 -0.15152 0.00000 -0.23824 0.08438 0.00000 89 14D-2 0.25002 0.00000 0.00880 -0.45691 0.00000 90 4 H 1S 0.01570 0.00000 0.00332 0.00276 0.00000 91 2S -0.40506 0.00000 0.35673 0.10921 0.00000 92 3S -0.23355 0.00000 -0.34975 0.45294 0.00000 93 4PX -0.10848 0.00000 0.01341 0.08182 0.00000 94 4PY 0.03036 0.00000 0.05299 0.05503 0.00000 95 4PZ 0.00000 -0.02810 0.00000 0.00000 0.05413 96 5 H 1S -0.00037 -0.02678 -0.00731 0.01966 0.00343 97 2S 0.99427 -1.52731 1.31660 -0.26530 1.25594 98 3S 0.54551 -0.07465 0.28365 0.14060 -0.56672 99 4PX -0.00159 0.05680 0.07035 -0.06057 0.07919 100 4PY -0.02972 0.02208 -0.04587 0.01714 -0.03594 101 4PZ -0.05384 0.09105 -0.11806 0.05418 -0.04458 102 6 H 1S -0.00037 0.02678 -0.00731 0.01966 -0.00343 103 2S 0.99427 1.52731 1.31660 -0.26530 -1.25594 104 3S 0.54551 0.07465 0.28365 0.14060 0.56672 105 4PX -0.00159 -0.05680 0.07035 -0.06057 -0.07919 106 4PY -0.02972 -0.02208 -0.04587 0.01714 0.03594 107 4PZ 0.05384 0.09105 0.11806 -0.05418 -0.04458 108 7 H 1S -0.01058 0.00000 0.01029 -0.00191 0.00000 109 2S -0.75930 0.00000 -1.49207 -2.18536 0.00000 110 3S 0.17173 0.00000 0.13928 0.78136 0.00000 111 4PX 0.01928 0.00000 0.08600 -0.02592 0.00000 112 4PY 0.05068 0.00000 0.09122 0.11088 0.00000 113 4PZ 0.00000 -0.02857 0.00000 0.00000 -0.01044 114 8 H 1S 0.01337 0.03120 0.01462 -0.02185 -0.00109 115 2S 1.05876 1.55168 -0.84729 1.26279 -1.21187 116 3S 0.18851 -0.06778 -0.44289 -0.21557 0.46903 117 4PX -0.00815 0.05743 0.06179 -0.03340 0.07351 118 4PY 0.07029 0.03045 -0.05297 0.04255 -0.03427 119 4PZ -0.06251 -0.09165 0.07799 -0.05881 0.05066 120 9 H 1S 0.01337 -0.03120 0.01462 -0.02185 0.00109 121 2S 1.05876 -1.55168 -0.84729 1.26279 1.21187 122 3S 0.18851 0.06778 -0.44289 -0.21557 -0.46903 123 4PX -0.00815 -0.05743 0.06179 -0.03340 -0.07351 124 4PY 0.07029 -0.03045 -0.05297 0.04255 0.03427 125 4PZ 0.06251 -0.09165 -0.07799 0.05881 0.05066 66 67 68 69 70 V V V V V Eigenvalues -- 1.14642 1.17745 1.23516 1.24511 1.30499 1 1 C 1S 0.00472 0.00000 0.01188 -0.04650 -0.01408 2 2S 0.01076 0.00000 0.01895 -0.11399 -0.02583 3 2PX -0.01961 0.00000 0.14238 0.04346 -0.10988 4 2PY -0.04389 0.00000 -0.03893 -0.01717 -0.02199 5 2PZ 0.00000 -0.07845 0.00000 0.00000 0.00000 6 3S -0.10929 0.00000 0.17960 1.30468 -0.02328 7 3PX 0.04172 0.00000 0.79257 -0.56944 -0.85059 8 3PY 0.17736 0.00000 -0.37901 0.07404 -0.18088 9 3PZ 0.00000 -0.65921 0.00000 0.00000 0.00000 10 4S 0.53800 0.00000 -5.76161 -0.88514 5.24850 11 4PX -0.30413 0.00000 3.42419 1.93576 -3.25636 12 4PY -0.35261 0.00000 -1.09421 -0.04504 -0.34280 13 4PZ 0.00000 -1.38313 0.00000 0.00000 0.00000 14 5S -0.70243 0.00000 1.73004 -1.67195 -3.93577 15 5PX 0.20970 0.00000 -0.80662 -0.00512 1.14427 16 5PY -0.15081 0.00000 0.27791 -0.07959 -0.12987 17 5PZ 0.00000 0.33761 0.00000 0.00000 0.00000 18 6D 0 -0.00116 0.00000 0.00528 -0.00588 0.01096 19 6D+1 0.00000 -0.01634 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.02026 0.00000 0.00000 0.00000 21 6D+2 -0.00442 0.00000 0.00515 0.01202 -0.00336 22 6D-2 -0.02184 0.00000 -0.00966 -0.00725 -0.01158 23 7D 0 -0.55767 0.00000 1.39713 0.57421 -0.05491 24 7D+1 0.00000 -0.73649 0.00000 0.00000 0.00000 25 7D-1 0.00000 1.56565 0.00000 0.00000 0.00000 26 7D+2 0.00197 0.00000 -0.83347 -1.24225 1.31222 27 7D-2 1.46761 0.00000 -0.32047 0.38244 -0.53595 28 2 C 1S 0.00800 0.00000 0.01127 -0.04244 0.02464 29 2S 0.02102 0.00000 0.03854 -0.10178 0.05698 30 2PX 0.00372 0.00000 0.12670 -0.00808 -0.16752 31 2PY -0.00429 0.00000 -0.09085 0.00408 -0.08570 32 2PZ 0.00000 -0.07893 0.00000 0.00000 0.00000 33 3S -0.32544 0.00000 -0.89492 1.00500 -0.50008 34 3PX 0.04338 0.00000 0.77858 0.81259 -0.58559 35 3PY -0.07623 0.00000 -0.25112 -0.05271 0.01198 36 3PZ 0.00000 -0.66979 0.00000 0.00000 0.00000 37 4S 1.25057 0.00000 7.27143 1.66870 -2.93723 38 4PX -0.93862 0.00000 3.13569 -0.93268 -4.23625 39 4PY 1.19420 0.00000 -2.15940 0.28219 -2.12035 40 4PZ 0.00000 -1.59202 0.00000 0.00000 0.00000 41 5S 2.33027 0.00000 -1.23521 2.21210 1.37015 42 5PX 0.19951 0.00000 -0.91133 0.84064 1.87799 43 5PY -0.56397 0.00000 0.19286 -0.31752 0.90355 44 5PZ 0.00000 0.60144 0.00000 0.00000 0.00000 45 6D 0 0.00804 0.00000 -0.00559 -0.00005 -0.00653 46 6D+1 0.00000 0.01746 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.01619 0.00000 0.00000 0.00000 48 6D+2 0.01018 0.00000 -0.00949 0.01532 0.01246 49 6D-2 -0.00146 0.00000 0.00218 0.00182 -0.00400 50 7D 0 0.16315 0.00000 -1.72066 0.58957 -0.22527 51 7D+1 0.00000 0.72225 0.00000 0.00000 0.00000 52 7D-1 0.00000 -1.65100 0.00000 0.00000 0.00000 53 7D+2 0.44116 0.00000 0.59483 -0.78786 -2.04405 54 7D-2 1.38019 0.00000 0.54394 0.26602 1.13076 55 3 S 1S 0.00493 0.00000 -0.00558 -0.00077 -0.00634 56 2S 0.01351 0.00000 -0.01594 -0.00193 -0.01806 57 3S -0.02433 0.00000 0.03504 0.00182 0.03933 58 4S -0.09423 0.00000 0.08173 0.02085 0.09439 59 5S 0.57741 0.00000 -0.11318 -0.05004 -0.02922 60 6S -0.99343 0.00000 -1.90650 -0.45289 -2.70463 61 7S -0.70961 0.00000 -0.24051 -0.70423 2.06136 62 7PX -0.19254 0.00000 0.28246 -0.24924 0.28480 63 7PY 0.21388 0.00000 -0.02014 -0.10731 1.01720 64 7PZ 0.00000 -0.44862 0.00000 0.00000 0.00000 65 8PX -0.02339 0.00000 0.00182 -0.00205 0.01841 66 8PY 0.02541 0.00000 0.02679 0.00450 0.03221 67 8PZ 0.00000 0.00437 0.00000 0.00000 0.00000 68 9PX -0.04534 0.00000 -0.00520 -0.00500 0.02985 69 9PY 0.05233 0.00000 0.04554 0.00831 0.05249 70 9PZ 0.00000 0.00707 0.00000 0.00000 0.00000 71 10PX 0.11324 0.00000 0.09413 0.02430 -0.00602 72 10PY -0.13933 0.00000 -0.03976 -0.00890 -0.01828 73 10PZ 0.00000 -0.00416 0.00000 0.00000 0.00000 74 11PX 0.20029 0.00000 -0.68861 -0.10743 -0.77118 75 11PY -0.19335 0.00000 -1.03160 -0.24181 -1.49232 76 11PZ 0.00000 -0.10765 0.00000 0.00000 0.00000 77 12PX -0.20702 0.00000 -0.28146 0.20724 -0.36711 78 12PY -0.70878 0.00000 -0.47976 -0.16630 -1.00227 79 12PZ 0.00000 0.44229 0.00000 0.00000 0.00000 80 13D 0 0.07666 0.00000 0.00702 -0.04734 -0.01102 81 13D+1 0.00000 0.01496 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.03385 0.00000 0.00000 0.00000 83 13D+2 -0.00412 0.00000 -0.02781 0.04278 -0.00477 84 13D-2 0.02062 0.00000 0.01448 -0.00513 0.02808 85 14D 0 0.22127 0.00000 0.31976 -0.05444 0.41916 86 14D+1 0.00000 -0.11178 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.05778 0.00000 0.00000 0.00000 88 14D+2 0.44784 0.00000 0.34336 0.16924 0.49735 89 14D-2 0.16694 0.00000 -0.39957 -0.11733 -0.65227 90 4 H 1S -0.02262 0.00000 -0.02855 0.02360 0.03901 91 2S 0.37051 0.00000 0.00337 -0.24301 -0.24933 92 3S -0.51937 0.00000 0.16558 0.37557 0.20001 93 4PX -0.07996 0.00000 -0.07836 0.01490 -0.00765 94 4PY -0.01885 0.00000 -0.04883 -0.04425 0.07390 95 4PZ 0.00000 -0.05382 0.00000 0.00000 0.00000 96 5 H 1S -0.01089 -0.06745 -0.07936 0.03403 -0.02381 97 2S -0.15341 2.34532 1.03657 -0.66038 0.39387 98 3S -0.72444 -0.72494 -0.43544 -0.10698 0.09681 99 4PX 0.02634 0.04036 0.00917 -0.02912 -0.03166 100 4PY -0.03122 -0.10374 0.01471 -0.05842 0.02786 101 4PZ 0.03775 -0.08870 -0.04864 -0.03323 0.01154 102 6 H 1S -0.01089 0.06745 -0.07936 0.03403 -0.02381 103 2S -0.15341 -2.34532 1.03657 -0.66038 0.39387 104 3S -0.72444 0.72494 -0.43544 -0.10698 0.09681 105 4PX 0.02634 -0.04036 0.00917 -0.02912 -0.03166 106 4PY -0.03122 0.10374 0.01471 -0.05842 0.02786 107 4PZ -0.03775 -0.08870 0.04864 0.03323 -0.01154 108 7 H 1S 0.00793 0.00000 -0.03510 0.04479 -0.11332 109 2S -1.10882 0.00000 1.19132 -0.78630 1.27908 110 3S 0.44424 0.00000 -0.15678 0.20962 -0.09045 111 4PX 0.14267 0.00000 -0.01626 0.03086 -0.01813 112 4PY 0.04700 0.00000 -0.05951 -0.03957 -0.10087 113 4PZ 0.00000 0.04393 0.00000 0.00000 0.00000 114 8 H 1S 0.00440 -0.08118 0.04853 0.05367 -0.02025 115 2S 0.64597 2.21583 -0.91310 -0.40052 -0.43179 116 3S -0.43869 -0.61885 0.24220 0.08157 0.32543 117 4PX -0.05091 -0.05061 -0.01127 0.01768 -0.02460 118 4PY 0.00153 0.08624 -0.01972 0.03678 0.03439 119 4PZ -0.02473 -0.08574 0.07041 -0.04730 0.01412 120 9 H 1S 0.00440 0.08118 0.04853 0.05367 -0.02025 121 2S 0.64597 -2.21583 -0.91310 -0.40052 -0.43179 122 3S -0.43869 0.61885 0.24220 0.08157 0.32543 123 4PX -0.05091 0.05061 -0.01127 0.01768 -0.02460 124 4PY 0.00153 -0.08624 -0.01972 0.03678 0.03439 125 4PZ 0.02473 -0.08574 -0.07041 0.04730 -0.01412 71 72 73 74 75 V V V V V Eigenvalues -- 1.45162 1.47791 1.49029 1.59997 1.67139 1 1 C 1S 0.00000 0.00000 0.00773 0.00000 -0.00218 2 2S 0.00000 0.00000 0.01687 0.00000 -0.00584 3 2PX 0.00000 0.00000 0.02003 0.00000 -0.01959 4 2PY 0.00000 0.00000 0.00669 0.00000 -0.10045 5 2PZ 0.00129 -0.00871 0.00000 -0.05807 0.00000 6 3S 0.00000 0.00000 -0.25204 0.00000 0.07573 7 3PX 0.00000 0.00000 -0.23661 0.00000 0.05645 8 3PY 0.00000 0.00000 0.02588 0.00000 0.17903 9 3PZ 0.00186 -0.01528 0.00000 0.00203 0.00000 10 4S 0.00000 0.00000 2.29079 0.00000 -0.38758 11 4PX 0.00000 0.00000 -1.12155 0.00000 0.07231 12 4PY 0.00000 0.00000 0.20638 0.00000 -1.47038 13 4PZ -0.01858 -0.23955 0.00000 -0.65598 0.00000 14 5S 0.00000 0.00000 -0.72806 0.00000 1.83920 15 5PX 0.00000 0.00000 0.30419 0.00000 -0.57145 16 5PY 0.00000 0.00000 -0.02861 0.00000 0.19980 17 5PZ -0.03258 0.07463 0.00000 0.00664 0.00000 18 6D 0 0.00000 0.00000 -0.01526 0.00000 0.03583 19 6D+1 0.00057 0.00499 0.00000 -0.00286 0.00000 20 6D-1 0.00014 0.00992 0.00000 0.02640 0.00000 21 6D+2 0.00000 0.00000 0.01085 0.00000 0.01986 22 6D-2 0.00000 0.00000 0.00372 0.00000 -0.00933 23 7D 0 0.00000 0.00000 -0.23511 0.00000 -0.01918 24 7D+1 0.00211 -0.08634 0.00000 0.19089 0.00000 25 7D-1 -0.00138 0.10172 0.00000 0.04132 0.00000 26 7D+2 0.00000 0.00000 0.30933 0.00000 -0.10929 27 7D-2 0.00000 0.00000 -0.04571 0.00000 0.64466 28 2 C 1S 0.00000 0.00000 0.00556 0.00000 0.00447 29 2S 0.00000 0.00000 0.00991 0.00000 0.00754 30 2PX 0.00000 0.00000 0.07408 0.00000 -0.00662 31 2PY 0.00000 0.00000 0.03440 0.00000 0.10905 32 2PZ -0.00585 -0.00934 0.00000 0.03645 0.00000 33 3S 0.00000 0.00000 -0.03602 0.00000 -0.04248 34 3PX 0.00000 0.00000 -0.18856 0.00000 0.09991 35 3PY 0.00000 0.00000 -0.03836 0.00000 0.02546 36 3PZ -0.00568 -0.03080 0.00000 -0.16087 0.00000 37 4S 0.00000 0.00000 -1.55870 0.00000 0.62980 38 4PX 0.00000 0.00000 -1.21608 0.00000 0.18912 39 4PY 0.00000 0.00000 -0.07993 0.00000 1.14919 40 4PZ 0.04630 0.34724 0.00000 1.20733 0.00000 41 5S 0.00000 0.00000 1.01389 0.00000 -0.49851 42 5PX 0.00000 0.00000 0.15933 0.00000 -0.72786 43 5PY 0.00000 0.00000 0.06566 0.00000 -0.65022 44 5PZ 0.05930 -0.08144 0.00000 0.12576 0.00000 45 6D 0 0.00000 0.00000 -0.02146 0.00000 0.02844 46 6D+1 -0.00068 -0.00486 0.00000 0.00656 0.00000 47 6D-1 -0.00261 -0.00617 0.00000 -0.01009 0.00000 48 6D+2 0.00000 0.00000 0.02087 0.00000 0.00626 49 6D-2 0.00000 0.00000 0.00439 0.00000 -0.01387 50 7D 0 0.00000 0.00000 0.21509 0.00000 0.03169 51 7D+1 -0.00227 -0.06649 0.00000 0.21604 0.00000 52 7D-1 0.00156 0.01253 0.00000 -0.23117 0.00000 53 7D+2 0.00000 0.00000 -0.60469 0.00000 0.25991 54 7D-2 0.00000 0.00000 0.09255 0.00000 0.44117 55 3 S 1S 0.00000 0.00000 -0.00112 0.00000 0.00264 56 2S 0.00000 0.00000 -0.00312 0.00000 0.00772 57 3S 0.00000 0.00000 0.00607 0.00000 -0.01861 58 4S 0.00000 0.00000 0.01956 0.00000 -0.03636 59 5S 0.00000 0.00000 -0.03723 0.00000 0.21829 60 6S 0.00000 0.00000 -0.19592 0.00000 0.13269 61 7S 0.00000 0.00000 0.00591 0.00000 -0.67056 62 7PX 0.00000 0.00000 0.06240 0.00000 0.26583 63 7PY 0.00000 0.00000 -0.33091 0.00000 -0.12692 64 7PZ 0.01472 0.35934 0.00000 0.33856 0.00000 65 8PX 0.00000 0.00000 0.00123 0.00000 0.09524 66 8PY 0.00000 0.00000 -0.05354 0.00000 -0.00320 67 8PZ -0.00443 0.05753 0.00000 0.07887 0.00000 68 9PX 0.00000 0.00000 0.00361 0.00000 0.23107 69 9PY 0.00000 0.00000 -0.12414 0.00000 -0.00525 70 9PZ -0.00986 0.12991 0.00000 0.18584 0.00000 71 10PX 0.00000 0.00000 -0.01705 0.00000 -1.02053 72 10PY 0.00000 0.00000 0.49724 0.00000 0.01165 73 10PZ 0.03648 -0.49038 0.00000 -0.77441 0.00000 74 11PX 0.00000 0.00000 -0.00701 0.00000 1.31702 75 11PY 0.00000 0.00000 -0.58531 0.00000 0.07901 76 11PZ -0.01793 0.37889 0.00000 0.73391 0.00000 77 12PX 0.00000 0.00000 -0.13909 0.00000 -1.16694 78 12PY 0.00000 0.00000 0.54893 0.00000 -0.02974 79 12PZ -0.04797 -0.64523 0.00000 -0.72191 0.00000 80 13D 0 0.00000 0.00000 -0.03027 0.00000 0.10305 81 13D+1 -0.02573 0.15470 0.00000 -0.12202 0.00000 82 13D-1 -0.01261 -0.09134 0.00000 -0.05026 0.00000 83 13D+2 0.00000 0.00000 -0.14468 0.00000 -0.14932 84 13D-2 0.00000 0.00000 -0.14399 0.00000 0.02414 85 14D 0 0.00000 0.00000 0.05229 0.00000 0.01992 86 14D+1 -0.00890 0.31887 0.00000 -0.14213 0.00000 87 14D-1 -0.00392 -0.14109 0.00000 -0.10296 0.00000 88 14D+2 0.00000 0.00000 -0.19145 0.00000 0.02714 89 14D-2 0.00000 0.00000 -0.37397 0.00000 0.10466 90 4 H 1S 0.00000 0.00000 0.02863 0.00000 -0.10068 91 2S 0.00000 0.00000 0.00234 0.00000 0.62715 92 3S 0.00000 0.00000 -0.14728 0.00000 -0.98947 93 4PX 0.00000 0.00000 -0.25438 0.00000 -0.10644 94 4PY 0.00000 0.00000 -0.92043 0.00000 -0.00072 95 4PZ -0.01500 1.00530 0.00000 -0.23947 0.00000 96 5 H 1S -0.00168 0.00764 -0.03855 -0.06022 0.03388 97 2S 0.00138 -0.11188 -0.01561 -0.00525 -0.16457 98 3S -0.05632 -0.05102 -0.21188 -0.49867 -0.24842 99 4PX 0.00200 -0.04014 -0.20074 -0.17202 -0.01598 100 4PY -0.02169 0.03044 -0.05494 0.46937 -0.15396 101 4PZ 0.01801 -0.03186 -0.04566 -0.44239 0.06634 102 6 H 1S 0.00168 -0.00764 -0.03855 0.06022 0.03388 103 2S -0.00138 0.11188 -0.01561 0.00525 -0.16457 104 3S 0.05632 0.05102 -0.21188 0.49867 -0.24842 105 4PX -0.00200 0.04014 -0.20074 0.17202 -0.01598 106 4PY 0.02169 -0.03044 -0.05494 -0.46937 -0.15396 107 4PZ 0.01801 -0.03186 0.04566 -0.44239 -0.06634 108 7 H 1S 0.00000 0.00000 -0.03829 0.00000 -0.00142 109 2S 0.00000 0.00000 -0.09037 0.00000 0.08326 110 3S 0.00000 0.00000 -0.04507 0.00000 0.35979 111 4PX 0.00000 0.00000 -0.02564 0.00000 -0.31829 112 4PY 0.00000 0.00000 -0.04404 0.00000 0.35731 113 4PZ 0.60238 0.04387 0.00000 0.13693 0.00000 114 8 H 1S -0.00109 -0.00325 -0.05427 -0.04486 0.03305 115 2S -0.00128 0.20556 0.04041 0.20323 -0.05701 116 3S 0.01942 -0.06251 -0.03790 0.02280 -0.30823 117 4PX -0.03357 0.02632 -0.06053 0.04018 0.31531 118 4PY -0.51807 -0.00087 -0.01892 0.02522 0.43621 119 4PZ -0.30052 -0.00795 -0.00381 0.02522 0.04995 120 9 H 1S 0.00109 0.00325 -0.05427 0.04486 0.03305 121 2S 0.00128 -0.20556 0.04041 -0.20323 -0.05701 122 3S -0.01942 0.06251 -0.03790 -0.02280 -0.30823 123 4PX 0.03357 -0.02632 -0.06053 -0.04018 0.31531 124 4PY 0.51807 0.00087 -0.01892 -0.02522 0.43621 125 4PZ -0.30052 -0.00795 0.00381 0.02522 -0.04995 76 77 78 79 80 V V V V V Eigenvalues -- 1.70163 1.73547 1.73659 1.77499 1.91323 1 1 C 1S 0.00000 0.00000 -0.00107 0.01228 -0.00200 2 2S 0.00000 0.00000 -0.00375 0.02780 -0.01090 3 2PX 0.00000 0.00000 -0.00958 0.12598 -0.01868 4 2PY 0.00000 0.00000 0.01612 -0.07800 -0.00878 5 2PZ 0.12363 0.03084 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.05368 -0.16087 0.13959 7 3PX 0.00000 0.00000 0.14464 -0.15136 -0.04433 8 3PY 0.00000 0.00000 -0.09543 0.06025 0.02196 9 3PZ -0.17702 0.08858 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 -0.67039 -0.57321 -0.46100 11 4PX 0.00000 0.00000 0.25736 0.65198 -0.12946 12 4PY 0.00000 0.00000 0.20947 -0.68627 0.10428 13 4PZ 1.40783 -0.09242 0.00000 0.00000 0.00000 14 5S 0.00000 0.00000 -0.27878 2.79579 1.82943 15 5PX 0.00000 0.00000 -0.06793 -0.77797 -0.26610 16 5PY 0.00000 0.00000 0.00762 0.23648 0.31503 17 5PZ -0.19525 -0.13769 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.00000 0.00070 0.03259 -0.01046 19 6D+1 -0.02520 0.02711 0.00000 0.00000 0.00000 20 6D-1 -0.02709 -0.01964 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 -0.00156 -0.00055 0.08161 22 6D-2 0.00000 0.00000 -0.02612 -0.00429 -0.04813 23 7D 0 0.00000 0.00000 0.19301 -0.22280 0.11737 24 7D+1 -0.67856 0.03156 0.00000 0.00000 0.00000 25 7D-1 0.15571 -0.04836 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 -0.25460 0.40238 -0.34924 27 7D-2 0.00000 0.00000 -0.14287 0.12837 0.00210 28 2 C 1S 0.00000 0.00000 -0.00027 -0.00955 0.00288 29 2S 0.00000 0.00000 0.00140 -0.01269 -0.00575 30 2PX 0.00000 0.00000 -0.06543 0.07548 0.05933 31 2PY 0.00000 0.00000 -0.04687 -0.00661 0.07174 32 2PZ -0.14304 -0.00972 0.00000 0.00000 0.00000 33 3S 0.00000 0.00000 -0.09592 -0.08173 0.29963 34 3PX 0.00000 0.00000 0.15425 -0.23033 0.04705 35 3PY 0.00000 0.00000 -0.03654 -0.03367 0.01648 36 3PZ 0.09843 0.13446 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.96661 0.91731 -0.86613 38 4PX 0.00000 0.00000 0.20339 0.78159 1.13401 39 4PY 0.00000 0.00000 -0.10691 0.35876 1.13891 40 4PZ -1.20162 -0.60348 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 -1.13408 -1.96352 -0.24700 42 5PX 0.00000 0.00000 0.18030 -0.80630 -1.14308 43 5PY 0.00000 0.00000 0.50559 -0.26075 -0.62430 44 5PZ 0.16724 -0.18168 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00617 0.03775 -0.04402 46 6D+1 0.02497 -0.02440 0.00000 0.00000 0.00000 47 6D-1 -0.03728 0.01263 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00119 0.02369 0.06397 49 6D-2 0.00000 0.00000 0.02897 -0.02333 0.00045 50 7D 0 0.00000 0.00000 -0.18069 -0.11480 0.42253 51 7D+1 -0.42580 -0.27075 0.00000 0.00000 0.00000 52 7D-1 0.08144 0.03675 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.26254 -0.35956 -0.04685 54 7D-2 0.00000 0.00000 0.08957 0.41048 -0.14915 55 3 S 1S 0.00000 0.00000 -0.00438 0.00068 0.00282 56 2S 0.00000 0.00000 -0.01243 0.00226 0.00871 57 3S 0.00000 0.00000 0.02675 -0.00767 -0.02542 58 4S 0.00000 0.00000 0.06936 -0.00189 -0.01926 59 5S 0.00000 0.00000 -0.10508 0.09122 -0.15765 60 6S 0.00000 0.00000 -0.44911 -0.26060 1.67274 61 7S 0.00000 0.00000 1.41385 -0.61314 -1.50780 62 7PX 0.00000 0.00000 0.52709 -0.03323 0.04777 63 7PY 0.00000 0.00000 0.10925 -0.33356 -0.36437 64 7PZ 0.23527 0.49778 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 0.10225 -0.03477 0.02112 66 8PY 0.00000 0.00000 -0.08307 -0.04822 0.07389 67 8PZ 0.07676 0.11479 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.25354 -0.08344 0.04854 69 9PY 0.00000 0.00000 -0.20245 -0.11636 0.18578 70 9PZ 0.18481 0.27353 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 -1.22434 0.38658 -0.19442 72 10PY 0.00000 0.00000 0.93200 0.54082 -0.93189 73 10PZ -0.81581 -1.20459 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 1.95952 -0.57910 0.15381 75 11PY 0.00000 0.00000 -1.28593 -0.76983 1.70681 76 11PZ 0.96491 1.37556 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 -0.96967 0.14051 -0.10274 78 12PY 0.00000 0.00000 0.60824 0.26754 -0.17119 79 12PZ -0.40978 -0.82285 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 -0.01834 0.03595 -0.18492 81 13D+1 0.01813 0.03330 0.00000 0.00000 0.00000 82 13D-1 0.06907 0.08887 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.22203 0.06962 -0.20576 84 13D-2 0.00000 0.00000 0.05474 -0.02652 0.01663 85 14D 0 0.00000 0.00000 0.29078 0.06346 -0.20088 86 14D+1 -0.01372 -0.04037 0.00000 0.00000 0.00000 87 14D-1 0.06629 0.01875 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 -0.32444 0.11759 0.02616 89 14D-2 0.00000 0.00000 0.33167 -0.06406 0.00116 90 4 H 1S 0.00000 0.00000 -0.04797 0.13279 0.06281 91 2S 0.00000 0.00000 1.25609 -0.30855 -0.51306 92 3S 0.00000 0.00000 -0.67402 0.36306 0.10334 93 4PX 0.00000 0.00000 0.47206 0.11742 -0.19829 94 4PY 0.00000 0.00000 0.04838 0.34759 0.09655 95 4PZ -0.16944 -0.20691 0.00000 0.00000 0.00000 96 5 H 1S -0.05259 0.06134 -0.04770 0.06783 -0.03373 97 2S 0.22196 -0.06425 0.09550 -0.17887 -0.02344 98 3S 0.11403 0.49418 -0.13750 0.11788 -0.05244 99 4PX -0.00252 0.39339 -0.01526 -0.48838 -0.56354 100 4PY -0.11861 -0.05741 -0.04556 -0.33499 -0.16323 101 4PZ 0.15612 0.24197 0.02439 0.06465 -0.08381 102 6 H 1S 0.05259 -0.06134 -0.04770 0.06783 -0.03373 103 2S -0.22196 0.06425 0.09550 -0.17887 -0.02344 104 3S -0.11403 -0.49418 -0.13750 0.11788 -0.05244 105 4PX 0.00252 -0.39339 -0.01526 -0.48838 -0.56354 106 4PY 0.11861 0.05741 -0.04556 -0.33499 -0.16323 107 4PZ 0.15612 0.24197 -0.02439 -0.06465 0.08381 108 7 H 1S 0.00000 0.00000 -0.03534 -0.08490 -0.14735 109 2S 0.00000 0.00000 0.04718 0.41416 0.12582 110 3S 0.00000 0.00000 -0.09094 -0.29807 -0.43272 111 4PX 0.00000 0.00000 0.43948 -0.37068 0.56718 112 4PY 0.00000 0.00000 -0.21034 0.12065 -0.15765 113 4PZ -0.52566 0.17518 0.00000 0.00000 0.00000 114 8 H 1S -0.03626 0.06834 0.04863 -0.01310 -0.00292 115 2S -0.01161 -0.12962 -0.14035 0.10279 0.05498 116 3S -0.31284 0.33027 0.30532 -0.33290 0.08394 117 4PX 0.44334 -0.30848 -0.06221 -0.38188 0.22008 118 4PY -0.11356 0.01499 -0.19202 0.14920 -0.03786 119 4PZ -0.38325 0.17248 -0.02772 0.09805 -0.09115 120 9 H 1S 0.03626 -0.06834 0.04863 -0.01310 -0.00292 121 2S 0.01161 0.12962 -0.14035 0.10279 0.05498 122 3S 0.31284 -0.33027 0.30532 -0.33290 0.08394 123 4PX -0.44334 0.30848 -0.06221 -0.38188 0.22008 124 4PY 0.11356 -0.01499 -0.19202 0.14920 -0.03786 125 4PZ -0.38325 0.17248 0.02772 -0.09805 0.09115 81 82 83 84 85 V V V V V Eigenvalues -- 1.94888 2.02503 2.03553 2.13006 2.14110 1 1 C 1S -0.00295 0.00735 0.00000 0.00000 0.00182 2 2S -0.01116 0.01795 0.00000 0.00000 0.00058 3 2PX -0.04051 -0.00929 0.00000 0.00000 0.00294 4 2PY -0.00053 -0.11114 0.00000 0.00000 -0.36761 5 2PZ 0.00000 0.00000 -0.26117 0.29083 0.00000 6 3S 0.15501 -0.26701 0.00000 0.00000 0.06676 7 3PX 0.19814 0.10888 0.00000 0.00000 -0.22513 8 3PY 0.00827 0.17964 0.00000 0.00000 -0.28336 9 3PZ 0.00000 0.00000 0.21056 0.26521 0.00000 10 4S -1.35698 0.67541 0.00000 0.00000 0.14185 11 4PX 0.34916 -0.26758 0.00000 0.00000 -0.06179 12 4PY -0.30748 -0.74935 0.00000 0.00000 -0.97929 13 4PZ 0.00000 0.00000 -0.50653 0.50881 0.00000 14 5S -3.74846 -0.89934 0.00000 0.00000 0.23086 15 5PX 1.07936 0.28929 0.00000 0.00000 -0.08874 16 5PY -0.11422 -0.10289 0.00000 0.00000 -0.63354 17 5PZ 0.00000 0.00000 -0.02442 0.57003 0.00000 18 6D 0 -0.03743 -0.01262 0.00000 0.00000 -0.12712 19 6D+1 0.00000 0.00000 -0.02554 -0.05168 0.00000 20 6D-1 0.00000 0.00000 0.00712 0.12574 0.00000 21 6D+2 0.05778 0.01864 0.00000 0.00000 -0.02869 22 6D-2 0.02432 0.02276 0.00000 0.00000 0.07989 23 7D 0 0.44971 -0.16503 0.00000 0.00000 0.47687 24 7D+1 0.00000 0.00000 0.41623 -0.01989 0.00000 25 7D-1 0.00000 0.00000 -0.61223 -0.62071 0.00000 26 7D+2 -0.63971 -0.03775 0.00000 0.00000 0.21408 27 7D-2 0.06241 0.33239 0.00000 0.00000 -0.04538 28 2 C 1S 0.00646 -0.00425 0.00000 0.00000 -0.01151 29 2S 0.01736 -0.01668 0.00000 0.00000 -0.02574 30 2PX -0.13313 0.02734 0.00000 0.00000 0.00975 31 2PY -0.03821 0.12554 0.00000 0.00000 -0.02664 32 2PZ 0.00000 0.00000 0.00612 -0.31652 0.00000 33 3S -0.35206 0.30241 0.00000 0.00000 0.11690 34 3PX 0.30540 0.00068 0.00000 0.00000 -0.04531 35 3PY -0.16546 0.14678 0.00000 0.00000 0.05851 36 3PZ 0.00000 0.00000 -0.07201 -0.23545 0.00000 37 4S 2.18608 -1.07862 0.00000 0.00000 0.53134 38 4PX 0.48276 0.07833 0.00000 0.00000 -0.20256 39 4PY -0.86953 1.21641 0.00000 0.00000 -0.16625 40 4PZ 0.00000 0.00000 0.43407 -0.51858 0.00000 41 5S 4.55496 3.99767 0.00000 0.00000 1.98422 42 5PX 1.00665 -0.03644 0.00000 0.00000 0.01283 43 5PY -0.08599 -0.93742 0.00000 0.00000 -0.25326 44 5PZ 0.00000 0.00000 -0.26833 -0.89245 0.00000 45 6D 0 -0.02791 -0.02416 0.00000 0.00000 -0.05629 46 6D+1 0.00000 0.00000 0.01998 -0.06342 0.00000 47 6D-1 0.00000 0.00000 0.07664 0.12327 0.00000 48 6D+2 0.04017 0.01219 0.00000 0.00000 0.02617 49 6D-2 -0.03715 0.05181 0.00000 0.00000 0.00027 50 7D 0 -0.64151 0.27577 0.00000 0.00000 0.50496 51 7D+1 0.00000 0.00000 1.02313 0.01986 0.00000 52 7D-1 0.00000 0.00000 0.67307 -0.35903 0.00000 53 7D+2 -0.15155 0.50651 0.00000 0.00000 -0.14970 54 7D-2 0.15986 0.07239 0.00000 0.00000 0.55411 55 3 S 1S -0.00087 -0.00711 0.00000 0.00000 0.00182 56 2S -0.00286 -0.02090 0.00000 0.00000 0.00537 57 3S 0.00995 0.05204 0.00000 0.00000 -0.01345 58 4S -0.00258 0.09003 0.00000 0.00000 -0.02418 59 5S 0.24962 -0.12173 0.00000 0.00000 0.11457 60 6S -1.72064 -0.19193 0.00000 0.00000 -0.30931 61 7S -0.53367 -2.47104 0.00000 0.00000 -1.29968 62 7PX -0.18953 -0.10700 0.00000 0.00000 -0.31910 63 7PY -0.32925 -0.66854 0.00000 0.00000 -0.28467 64 7PZ 0.00000 0.00000 0.32330 0.21921 0.00000 65 8PX -0.07603 -0.01132 0.00000 0.00000 0.00808 66 8PY -0.06310 0.04558 0.00000 0.00000 -0.01863 67 8PZ 0.00000 0.00000 0.03831 -0.00466 0.00000 68 9PX -0.17966 0.00382 0.00000 0.00000 0.01288 69 9PY -0.15546 0.10412 0.00000 0.00000 -0.04618 70 9PZ 0.00000 0.00000 0.09703 -0.01156 0.00000 71 10PX 0.83446 -0.30909 0.00000 0.00000 -0.00580 72 10PY 0.78205 -0.45945 0.00000 0.00000 0.23495 73 10PZ 0.00000 0.00000 -0.49533 0.06266 0.00000 74 11PX -1.19051 1.84689 0.00000 0.00000 -0.25041 75 11PY -1.45186 0.63478 0.00000 0.00000 -0.43048 76 11PZ 0.00000 0.00000 0.79276 -0.10770 0.00000 77 12PX 0.66576 -0.13422 0.00000 0.00000 -0.26204 78 12PY 0.15286 -0.13302 0.00000 0.00000 -0.07625 79 12PZ 0.00000 0.00000 -0.51363 0.03462 0.00000 80 13D 0 0.17899 -0.40097 0.00000 0.00000 0.02471 81 13D+1 0.00000 0.00000 -0.18686 -0.22078 0.00000 82 13D-1 0.00000 0.00000 0.33700 0.02510 0.00000 83 13D+2 0.04745 0.23562 0.00000 0.00000 0.22734 84 13D-2 -0.20663 -0.08959 0.00000 0.00000 0.06374 85 14D 0 0.14217 0.62650 0.00000 0.00000 -0.08725 86 14D+1 0.00000 0.00000 0.15945 0.12808 0.00000 87 14D-1 0.00000 0.00000 0.08443 -0.06428 0.00000 88 14D+2 0.03017 -0.99402 0.00000 0.00000 0.14662 89 14D-2 -0.05511 0.79673 0.00000 0.00000 -0.16767 90 4 H 1S 0.17332 0.38647 0.00000 0.00000 -0.19456 91 2S -0.27860 1.07925 0.00000 0.00000 0.06296 92 3S 0.82816 0.52001 0.00000 0.00000 -0.37643 93 4PX 0.22795 1.17255 0.00000 0.00000 -0.26586 94 4PY 0.09214 -0.44920 0.00000 0.00000 0.17379 95 4PZ 0.00000 0.00000 -0.04599 0.04592 0.00000 96 5 H 1S -0.12402 -0.00472 0.13731 0.42622 -0.13533 97 2S 0.41604 -0.00466 -0.32214 -0.21243 0.01112 98 3S -0.44697 -0.51022 0.33621 1.12181 -0.45275 99 4PX 0.04996 -0.06315 -0.59609 0.28473 -0.34499 100 4PY -0.22095 0.13929 -0.50009 -0.20788 0.38949 101 4PZ 0.03218 0.07654 -0.05941 -0.34029 -0.16673 102 6 H 1S -0.12402 -0.00472 -0.13731 -0.42622 -0.13533 103 2S 0.41604 -0.00466 0.32214 0.21243 0.01112 104 3S -0.44697 -0.51022 -0.33621 -1.12181 -0.45275 105 4PX 0.04996 -0.06315 0.59609 -0.28473 -0.34499 106 4PY -0.22095 0.13929 0.50009 0.20788 0.38949 107 4PZ -0.03218 -0.07654 -0.05941 -0.34029 0.16673 108 7 H 1S -0.04206 0.10387 0.00000 0.00000 0.49698 109 2S 0.11303 -0.36821 0.00000 0.00000 0.09438 110 3S 0.28881 0.48552 0.00000 0.00000 1.21896 111 4PX 0.38010 -0.09749 0.00000 0.00000 -0.41721 112 4PY -0.08330 0.10316 0.00000 0.00000 -0.50842 113 4PZ 0.00000 0.00000 0.37954 0.20311 0.00000 114 8 H 1S -0.08291 -0.11198 0.11594 -0.40348 -0.30176 115 2S -0.11883 0.15911 -0.59090 -0.00396 0.09330 116 3S 0.01316 -0.48112 0.45516 -0.79213 -0.95657 117 4PX 0.57279 0.04564 0.02792 0.34807 0.25902 118 4PY 0.14748 0.17348 0.14151 -0.11298 -0.11365 119 4PZ -0.03752 0.06321 0.13862 0.36941 0.16425 120 9 H 1S -0.08291 -0.11198 -0.11594 0.40348 -0.30176 121 2S -0.11883 0.15911 0.59090 0.00396 0.09330 122 3S 0.01316 -0.48112 -0.45516 0.79213 -0.95657 123 4PX 0.57279 0.04564 -0.02792 -0.34807 0.25902 124 4PY 0.14748 0.17348 -0.14151 0.11298 -0.11365 125 4PZ 0.03752 -0.06321 0.13862 0.36941 -0.16425 86 87 88 89 90 V V V V V Eigenvalues -- 2.19955 2.22870 2.24823 2.27028 2.28341 1 1 C 1S 0.00000 0.00025 0.00000 -0.00232 0.00000 2 2S 0.00000 0.00029 0.00000 -0.00640 0.00000 3 2PX 0.00000 -0.03466 0.00000 0.06927 0.00000 4 2PY 0.00000 -0.14142 0.00000 0.09562 0.00000 5 2PZ -0.07103 0.00000 0.30423 0.00000 0.17115 6 3S 0.00000 -0.00349 0.00000 0.01398 0.00000 7 3PX 0.00000 0.08610 0.00000 -0.12963 0.00000 8 3PY 0.00000 -0.52255 0.00000 -0.26666 0.00000 9 3PZ -0.03256 0.00000 0.71770 0.00000 -0.22066 10 4S 0.00000 -0.48143 0.00000 0.99873 0.00000 11 4PX 0.00000 0.04832 0.00000 -0.18846 0.00000 12 4PY 0.00000 -0.68454 0.00000 -0.40541 0.00000 13 4PZ -0.15369 0.00000 0.96061 0.00000 -0.52378 14 5S 0.00000 -2.00051 0.00000 -1.61212 0.00000 15 5PX 0.00000 0.43208 0.00000 0.45082 0.00000 16 5PY 0.00000 -0.12621 0.00000 -0.09462 0.00000 17 5PZ 0.01014 0.00000 0.07243 0.00000 0.04434 18 6D 0 0.00000 -0.04752 0.00000 -0.01306 0.00000 19 6D+1 -0.03003 0.00000 -0.11915 0.00000 0.03942 20 6D-1 -0.01032 0.00000 0.11764 0.00000 0.04104 21 6D+2 0.00000 -0.04008 0.00000 0.02579 0.00000 22 6D-2 0.00000 0.10278 0.00000 0.05483 0.00000 23 7D 0 0.00000 0.77205 0.00000 0.70484 0.00000 24 7D+1 0.10007 0.00000 1.03131 0.00000 0.44103 25 7D-1 -0.22852 0.00000 -1.21564 0.00000 0.51593 26 7D+2 0.00000 0.35829 0.00000 0.38724 0.00000 27 7D-2 0.00000 -0.74630 0.00000 0.05040 0.00000 28 2 C 1S 0.00000 0.01556 0.00000 -0.03209 0.00000 29 2S 0.00000 0.04164 0.00000 -0.06406 0.00000 30 2PX 0.00000 0.04653 0.00000 -0.14922 0.00000 31 2PY 0.00000 0.04511 0.00000 0.36168 0.00000 32 2PZ -0.15296 0.00000 0.36114 0.00000 0.17399 33 3S 0.00000 -0.41724 0.00000 0.39108 0.00000 34 3PX 0.00000 0.00895 0.00000 0.01544 0.00000 35 3PY 0.00000 -0.42931 0.00000 -0.18529 0.00000 36 3PZ -0.19589 0.00000 0.47913 0.00000 -0.57569 37 4S 0.00000 0.38650 0.00000 0.11599 0.00000 38 4PX 0.00000 0.28952 0.00000 -0.73426 0.00000 39 4PY 0.00000 -0.83404 0.00000 0.63559 0.00000 40 4PZ -0.11063 0.00000 1.36437 0.00000 1.02992 41 5S 0.00000 2.89338 0.00000 5.46068 0.00000 42 5PX 0.00000 0.41434 0.00000 0.23592 0.00000 43 5PY 0.00000 -0.21665 0.00000 -0.68144 0.00000 44 5PZ -0.06638 0.00000 0.06207 0.00000 0.28377 45 6D 0 0.00000 0.01640 0.00000 -0.08716 0.00000 46 6D+1 0.01821 0.00000 0.09424 0.00000 -0.04996 47 6D-1 0.06571 0.00000 -0.04601 0.00000 0.01940 48 6D+2 0.00000 -0.01772 0.00000 0.01163 0.00000 49 6D-2 0.00000 -0.05136 0.00000 0.00269 0.00000 50 7D 0 0.00000 -0.89969 0.00000 -0.35578 0.00000 51 7D+1 0.44346 0.00000 0.12113 0.00000 0.17110 52 7D-1 -0.24853 0.00000 1.19869 0.00000 -0.60247 53 7D+2 0.00000 -0.31842 0.00000 -0.50503 0.00000 54 7D-2 0.00000 -0.08235 0.00000 -0.17951 0.00000 55 3 S 1S 0.00000 -0.00243 0.00000 0.00105 0.00000 56 2S 0.00000 -0.00781 0.00000 0.00341 0.00000 57 3S 0.00000 0.02547 0.00000 -0.01144 0.00000 58 4S 0.00000 0.00834 0.00000 -0.00283 0.00000 59 5S 0.00000 -0.01155 0.00000 0.04490 0.00000 60 6S 0.00000 -0.70620 0.00000 -0.09454 0.00000 61 7S 0.00000 -1.15243 0.00000 -2.26861 0.00000 62 7PX 0.00000 0.22789 0.00000 -0.44045 0.00000 63 7PY 0.00000 -0.28174 0.00000 -0.58435 0.00000 64 7PZ 0.03430 0.00000 0.19538 0.00000 -0.00981 65 8PX 0.00000 0.00226 0.00000 0.00067 0.00000 66 8PY 0.00000 0.00413 0.00000 0.00387 0.00000 67 8PZ 0.00490 0.00000 0.01310 0.00000 -0.01213 68 9PX 0.00000 0.00416 0.00000 -0.00705 0.00000 69 9PY 0.00000 0.00390 0.00000 0.00824 0.00000 70 9PZ 0.01363 0.00000 0.03413 0.00000 -0.02979 71 10PX 0.00000 0.02296 0.00000 0.09038 0.00000 72 10PY 0.00000 0.02414 0.00000 -0.03671 0.00000 73 10PZ -0.08141 0.00000 -0.19477 0.00000 0.16705 74 11PX 0.00000 -0.48278 0.00000 -0.31672 0.00000 75 11PY 0.00000 -0.35140 0.00000 0.00561 0.00000 76 11PZ 0.15119 0.00000 0.36915 0.00000 -0.31238 77 12PX 0.00000 -0.37789 0.00000 0.02214 0.00000 78 12PY 0.00000 -0.26974 0.00000 -0.18988 0.00000 79 12PZ -0.07060 0.00000 -0.32493 0.00000 -0.20530 80 13D 0 0.00000 0.10302 0.00000 -0.31799 0.00000 81 13D+1 1.01327 0.00000 0.13888 0.00000 0.24135 82 13D-1 -0.17332 0.00000 -0.15809 0.00000 0.93503 83 13D+2 0.00000 -0.40549 0.00000 0.09237 0.00000 84 13D-2 0.00000 0.61556 0.00000 0.04864 0.00000 85 14D 0 0.00000 0.03711 0.00000 0.26325 0.00000 86 14D+1 -0.78035 0.00000 -0.04455 0.00000 -0.24136 87 14D-1 0.15463 0.00000 0.27648 0.00000 -0.85621 88 14D+2 0.00000 0.42157 0.00000 0.00904 0.00000 89 14D-2 0.00000 -0.76337 0.00000 -0.24377 0.00000 90 4 H 1S 0.00000 0.64108 0.00000 -0.27347 0.00000 91 2S 0.00000 -1.41288 0.00000 0.23975 0.00000 92 3S 0.00000 0.95566 0.00000 -0.25686 0.00000 93 4PX 0.00000 0.05336 0.00000 -0.18264 0.00000 94 4PY 0.00000 -0.06778 0.00000 0.02915 0.00000 95 4PZ -0.28721 0.00000 -0.08697 0.00000 0.09324 96 5 H 1S 0.12497 0.01141 -0.21499 -0.50627 -0.15866 97 2S 0.27323 0.63159 -0.95324 0.68039 0.58762 98 3S 0.13184 -0.09160 -0.63378 -1.53897 -0.70285 99 4PX -0.03734 0.21646 -0.44847 0.02914 0.09476 100 4PY -0.15591 -0.41618 0.09381 -0.22841 0.01198 101 4PZ -0.24131 -0.01564 0.46375 0.57489 -0.29645 102 6 H 1S -0.12497 0.01141 0.21499 -0.50627 0.15866 103 2S -0.27323 0.63159 0.95324 0.68039 -0.58762 104 3S -0.13184 -0.09160 0.63378 -1.53897 0.70285 105 4PX 0.03734 0.21646 0.44847 0.02914 -0.09476 106 4PY 0.15591 -0.41618 -0.09381 -0.22841 -0.01198 107 4PZ -0.24131 0.01564 0.46375 -0.57489 -0.29645 108 7 H 1S 0.00000 0.30199 0.00000 -0.12072 0.00000 109 2S 0.00000 0.95670 0.00000 0.76793 0.00000 110 3S 0.00000 0.56192 0.00000 -0.22216 0.00000 111 4PX 0.00000 -0.22731 0.00000 -0.37800 0.00000 112 4PY 0.00000 -0.54771 0.00000 -0.01147 0.00000 113 4PZ 0.18108 0.00000 0.00113 0.00000 -0.33712 114 8 H 1S -0.06934 -0.04483 -0.34325 -0.03651 -0.18998 115 2S -0.05616 -0.65690 -1.22838 -0.40011 0.60008 116 3S 0.15218 0.00924 -0.55441 -0.21683 -0.23786 117 4PX 0.03774 0.07347 0.13879 0.12146 -0.24072 118 4PY 0.08848 -0.24447 -0.38862 -0.36842 -0.17800 119 4PZ -0.01061 0.20209 0.65901 -0.10354 -0.03884 120 9 H 1S 0.06934 -0.04483 0.34325 -0.03651 0.18998 121 2S 0.05616 -0.65690 1.22838 -0.40011 -0.60008 122 3S -0.15218 0.00924 0.55441 -0.21683 0.23786 123 4PX -0.03774 0.07347 -0.13879 0.12146 0.24072 124 4PY -0.08848 -0.24447 0.38862 -0.36842 0.17800 125 4PZ -0.01061 -0.20209 0.65901 0.10354 -0.03884 91 92 93 94 95 V V V V V Eigenvalues -- 2.29463 2.30491 2.38060 2.41328 2.41909 1 1 C 1S -0.00187 -0.04432 -0.04913 -0.00803 0.00000 2 2S -0.00850 -0.08931 -0.10632 -0.01912 0.00000 3 2PX 0.05224 0.27964 0.23453 0.01345 0.00000 4 2PY 0.13843 0.10770 -0.18067 -0.03653 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.07914 6 3S 0.17412 0.52345 0.79214 0.14331 0.00000 7 3PX -0.21579 -0.02636 -0.02157 -0.03792 0.00000 8 3PY 0.24970 0.04746 -0.12990 0.09569 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 -0.27217 10 4S 0.01968 -0.33009 0.17667 0.38551 0.00000 11 4PX 0.12275 1.21114 1.39631 0.10640 0.00000 12 4PY 0.30354 -0.26932 0.08240 0.71756 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.91431 14 5S -2.32748 6.11055 2.25641 -0.03062 0.00000 15 5PX 0.62537 -1.39938 -0.55397 0.06115 0.00000 16 5PY 0.19302 0.10564 -0.05534 -0.18674 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.28453 18 6D 0 0.03631 -0.03374 -0.03498 -0.04098 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.01535 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.05315 21 6D+2 0.02797 0.09891 0.01764 0.00056 0.00000 22 6D-2 -0.07688 0.01319 -0.06203 0.01753 0.00000 23 7D 0 -0.10837 0.22142 0.15099 -0.66914 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 1.23089 25 7D-1 0.00000 0.00000 0.00000 0.00000 1.06593 26 7D+2 0.07866 -0.43447 -0.40369 -0.56036 0.00000 27 7D-2 0.92115 0.23849 -0.08343 -1.16021 0.00000 28 2 C 1S -0.02422 0.01561 -0.01409 -0.02371 0.00000 29 2S -0.05920 0.02846 -0.03320 -0.05992 0.00000 30 2PX -0.00417 0.04896 -0.17009 -0.07589 0.00000 31 2PY 0.17354 -0.04048 -0.00492 0.11671 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 -0.03368 33 3S 0.52395 -0.16409 0.26636 0.67787 0.00000 34 3PX -0.10107 0.17346 0.29701 -0.08664 0.00000 35 3PY 0.20070 -0.13291 0.07892 0.23052 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 -0.52988 37 4S -0.09366 1.27729 1.46928 -1.29207 0.00000 38 4PX 0.07357 0.91849 -0.18369 0.30277 0.00000 39 4PY 1.30253 -0.25240 0.36122 0.80509 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 -0.46201 41 5S 4.28471 -4.85468 0.04229 1.76108 0.00000 42 5PX 0.31638 -1.37683 -0.23105 -0.15277 0.00000 43 5PY -0.58498 -0.08495 -0.27404 -0.26705 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.14775 45 6D 0 -0.05639 0.01975 -0.00186 -0.09108 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.07748 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.08759 48 6D+2 0.04120 0.05296 0.00497 -0.01083 0.00000 49 6D-2 0.04495 -0.03886 0.03949 0.05917 0.00000 50 7D 0 0.89077 -0.14953 0.36148 0.49421 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 1.53160 52 7D-1 0.00000 0.00000 0.00000 0.00000 -0.74295 53 7D+2 0.06338 -0.07821 0.28108 -0.09748 0.00000 54 7D-2 0.25039 0.10942 -0.04758 -1.46224 0.00000 55 3 S 1S -0.00096 -0.00021 0.00045 0.00022 0.00000 56 2S -0.00356 -0.00036 0.00095 0.00083 0.00000 57 3S 0.01535 -0.00160 0.00106 -0.00406 0.00000 58 4S -0.01239 0.01378 -0.02046 0.00892 0.00000 59 5S -0.08594 -0.06738 0.02380 -0.38211 0.00000 60 6S 0.87515 0.01666 0.10952 2.04373 0.00000 61 7S -1.36350 -0.31915 -1.10094 -1.08130 0.00000 62 7PX 0.16231 -0.04822 -0.20005 -0.28824 0.00000 63 7PY -0.63515 -0.07063 -0.25754 -0.47779 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01834 65 8PX 0.00239 -0.00547 0.01878 0.00026 0.00000 66 8PY 0.00754 0.00117 -0.00951 0.03561 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.01496 68 9PX 0.01476 -0.01352 0.04612 -0.00222 0.00000 69 9PY 0.01684 0.00386 -0.02209 0.09126 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.03490 71 10PX -0.12609 0.08458 -0.24665 0.01477 0.00000 72 10PY -0.10350 -0.01929 0.10615 -0.56611 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 -0.18443 74 11PX 0.39978 -0.21678 0.34223 0.10352 0.00000 75 11PY 0.43759 -0.06200 -0.02077 1.54323 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.26572 77 12PX -0.19780 -0.20947 0.18743 0.17948 0.00000 78 12PY 0.51356 0.00157 -0.04847 0.51639 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.07766 80 13D 0 0.67436 -0.02061 0.02594 0.47209 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 -0.10566 82 13D-1 0.00000 0.00000 0.00000 0.00000 -0.39304 83 13D+2 0.00162 0.34612 -0.56017 0.23609 0.00000 84 13D-2 0.17698 0.47859 -0.50486 0.08788 0.00000 85 14D 0 -0.62924 0.01506 -0.11328 -0.70491 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.05457 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.43593 88 14D+2 -0.04516 -0.21511 0.56042 -0.61571 0.00000 89 14D-2 0.02853 -0.51207 0.60694 0.00361 0.00000 90 4 H 1S 0.49990 -0.10110 0.31481 -0.15404 0.00000 91 2S -0.93942 0.01614 -0.45030 -0.12646 0.00000 92 3S 0.52736 -0.15924 0.40492 -0.20866 0.00000 93 4PX 0.16274 -0.11044 0.06344 -0.10095 0.00000 94 4PY -0.07764 -0.11570 0.23300 -0.22309 0.00000 95 4PZ 0.00000 0.00000 0.00000 0.00000 -0.04670 96 5 H 1S -0.18062 0.14595 -0.11772 -0.19921 0.13234 97 2S -0.31237 -0.06254 -0.23656 -0.25969 1.22665 98 3S -0.87066 0.43013 -0.46761 -0.51025 0.08713 99 4PX -0.33095 0.03390 0.05028 0.01316 -0.17858 100 4PY 0.40985 -0.09037 0.21675 0.01949 -0.37222 101 4PZ 0.09209 -0.18785 0.08103 0.47399 -0.43805 102 6 H 1S -0.18062 0.14595 -0.11772 -0.19921 -0.13234 103 2S -0.31237 -0.06254 -0.23656 -0.25969 -1.22665 104 3S -0.87066 0.43013 -0.46761 -0.51025 -0.08713 105 4PX -0.33095 0.03390 0.05028 0.01316 0.17858 106 4PY 0.40985 -0.09037 0.21675 0.01949 0.37222 107 4PZ -0.09209 0.18785 -0.08103 -0.47399 -0.43805 108 7 H 1S -0.17123 -0.61474 -0.33234 0.20900 0.00000 109 2S -0.50473 0.52788 0.16160 -0.57663 0.00000 110 3S -0.36184 -1.15042 -0.86483 -0.01388 0.00000 111 4PX -0.16982 0.14501 0.04897 0.61071 0.00000 112 4PY 0.43144 0.50008 0.18650 -0.24070 0.00000 113 4PZ 0.00000 0.00000 0.00000 0.00000 -0.79707 114 8 H 1S 0.11857 -0.52393 -0.26911 -0.13070 -0.22856 115 2S 0.25614 0.52828 0.06173 0.21551 0.89513 116 3S 0.19484 -1.18793 -0.99333 -0.22772 -0.19668 117 4PX 0.05805 0.15670 -0.01910 -0.30826 -0.69152 118 4PY -0.15986 -0.14934 -0.24174 0.40782 -0.32938 119 4PZ -0.36946 0.24381 0.49525 0.45455 -0.14041 120 9 H 1S 0.11857 -0.52393 -0.26911 -0.13070 0.22856 121 2S 0.25614 0.52828 0.06173 0.21551 -0.89513 122 3S 0.19484 -1.18793 -0.99333 -0.22772 0.19668 123 4PX 0.05805 0.15670 -0.01910 -0.30826 0.69152 124 4PY -0.15986 -0.14934 -0.24174 0.40782 0.32938 125 4PZ 0.36946 -0.24381 -0.49525 -0.45455 -0.14041 96 97 98 99 100 V V V V V Eigenvalues -- 2.47116 2.63246 2.66380 2.70827 2.73741 1 1 C 1S 0.01095 0.00000 0.01265 0.00026 0.00000 2 2S 0.01693 0.00000 0.02964 -0.01398 0.00000 3 2PX 0.08413 0.00000 0.00893 0.24328 0.00000 4 2PY 0.21090 0.00000 0.09747 -0.05311 0.00000 5 2PZ 0.00000 0.10856 0.00000 0.00000 0.17786 6 3S -0.04225 0.00000 -0.22211 0.20063 0.00000 7 3PX -0.19228 0.00000 -0.17094 -0.08991 0.00000 8 3PY 0.34115 0.00000 -1.45845 0.17403 0.00000 9 3PZ 0.00000 -1.43199 0.00000 0.00000 0.30838 10 4S 0.38480 0.00000 -0.33467 0.46657 0.00000 11 4PX -0.16234 0.00000 -0.30694 0.36050 0.00000 12 4PY 1.00207 0.00000 -1.24869 -0.06045 0.00000 13 4PZ 0.00000 -0.72694 0.00000 0.00000 1.18840 14 5S -2.92137 0.00000 0.17418 0.69061 0.00000 15 5PX 0.68426 0.00000 -0.00830 -0.36306 0.00000 16 5PY -0.29506 0.00000 0.85364 -0.13088 0.00000 17 5PZ 0.00000 0.54960 0.00000 0.00000 -0.59239 18 6D 0 -0.04222 0.00000 0.06802 -0.04395 0.00000 19 6D+1 0.00000 0.06268 0.00000 0.00000 -0.01669 20 6D-1 0.00000 0.03030 0.00000 0.00000 -0.12864 21 6D+2 0.00832 0.00000 0.03668 0.04486 0.00000 22 6D-2 -0.02894 0.00000 0.07131 -0.05193 0.00000 23 7D 0 -0.98109 0.00000 0.25799 -0.02259 0.00000 24 7D+1 0.00000 -0.83043 0.00000 0.00000 -0.03691 25 7D-1 0.00000 0.31702 0.00000 0.00000 -0.31102 26 7D+2 -0.52508 0.00000 0.16208 -0.17869 0.00000 27 7D-2 0.14318 0.00000 -0.57029 0.30520 0.00000 28 2 C 1S -0.02887 0.00000 0.00382 -0.00773 0.00000 29 2S -0.05279 0.00000 0.01361 -0.02098 0.00000 30 2PX -0.14222 0.00000 -0.02912 -0.38815 0.00000 31 2PY -0.07500 0.00000 0.14303 -0.03849 0.00000 32 2PZ 0.00000 0.30956 0.00000 0.00000 -0.07938 33 3S 0.18222 0.00000 -0.13605 0.05045 0.00000 34 3PX -0.06571 0.00000 0.05126 0.33322 0.00000 35 3PY -0.10062 0.00000 -0.26971 0.08611 0.00000 36 3PZ 0.00000 -0.73693 0.00000 0.00000 -1.23351 37 4S 1.12766 0.00000 -0.24387 1.60006 0.00000 38 4PX -0.85921 0.00000 0.18093 -0.59811 0.00000 39 4PY -0.69409 0.00000 0.20035 -0.27992 0.00000 40 4PZ 0.00000 -0.40761 0.00000 0.00000 -2.20039 41 5S 3.50550 0.00000 -1.07840 -1.99527 0.00000 42 5PX 0.84147 0.00000 -0.26060 0.12428 0.00000 43 5PY 0.12763 0.00000 -0.02896 0.27240 0.00000 44 5PZ 0.00000 0.07376 0.00000 0.00000 1.07949 45 6D 0 -0.02532 0.00000 0.05578 0.05341 0.00000 46 6D+1 0.00000 -0.04707 0.00000 0.00000 0.03811 47 6D-1 0.00000 0.04505 0.00000 0.00000 -0.04495 48 6D+2 0.12644 0.00000 0.01586 0.08554 0.00000 49 6D-2 -0.00730 0.00000 -0.11269 -0.04125 0.00000 50 7D 0 0.68138 0.00000 0.11771 0.17344 0.00000 51 7D+1 0.00000 0.04048 0.00000 0.00000 0.42345 52 7D-1 0.00000 -0.01334 0.00000 0.00000 -0.63610 53 7D+2 -0.13346 0.00000 0.11790 -0.05944 0.00000 54 7D-2 -0.05447 0.00000 0.19811 0.32064 0.00000 55 3 S 1S 0.00811 0.00000 -0.00029 -0.00423 0.00000 56 2S 0.02423 0.00000 -0.00068 -0.01209 0.00000 57 3S -0.06343 0.00000 0.00011 0.02720 0.00000 58 4S -0.11044 0.00000 0.00953 0.07472 0.00000 59 5S 0.63174 0.00000 0.04232 0.00584 0.00000 60 6S -1.02673 0.00000 -0.07314 -1.35894 0.00000 61 7S -0.57352 0.00000 0.69770 1.45662 0.00000 62 7PX 0.08817 0.00000 0.31060 -0.09376 0.00000 63 7PY -0.02937 0.00000 0.06615 0.73094 0.00000 64 7PZ 0.00000 -0.11037 0.00000 0.00000 -0.39668 65 8PX -0.01082 0.00000 -0.00603 -0.03473 0.00000 66 8PY -0.04981 0.00000 0.00144 -0.01100 0.00000 67 8PZ 0.00000 0.00622 0.00000 0.00000 0.00369 68 9PX -0.02737 0.00000 -0.01018 -0.07117 0.00000 69 9PY -0.11250 0.00000 0.00313 -0.02488 0.00000 70 9PZ 0.00000 0.01624 0.00000 0.00000 0.01157 71 10PX 0.22316 0.00000 0.02275 0.24936 0.00000 72 10PY 0.56736 0.00000 -0.00592 0.19014 0.00000 73 10PZ 0.00000 -0.09822 0.00000 0.00000 -0.08057 74 11PX -0.80287 0.00000 0.16492 0.50021 0.00000 75 11PY -0.68469 0.00000 -0.02409 -0.73286 0.00000 76 11PZ 0.00000 0.18597 0.00000 0.00000 0.21319 77 12PX -0.10053 0.00000 -0.22058 -0.26938 0.00000 78 12PY -0.41374 0.00000 0.09547 -0.52094 0.00000 79 12PZ 0.00000 0.10725 0.00000 0.00000 0.35212 80 13D 0 -0.46150 0.00000 0.02312 0.05886 0.00000 81 13D+1 0.00000 -0.10189 0.00000 0.00000 -0.04930 82 13D-1 0.00000 -0.11805 0.00000 0.00000 -0.17511 83 13D+2 -0.19397 0.00000 0.07626 -0.47276 0.00000 84 13D-2 0.41472 0.00000 0.06624 0.32664 0.00000 85 14D 0 0.23223 0.00000 0.04759 0.33215 0.00000 86 14D+1 0.00000 0.15700 0.00000 0.00000 0.06558 87 14D-1 0.00000 0.20480 0.00000 0.00000 0.33265 88 14D+2 0.56223 0.00000 -0.16659 0.14030 0.00000 89 14D-2 -0.64396 0.00000 -0.00089 -0.05477 0.00000 90 4 H 1S 0.43502 0.00000 -0.09674 -1.09708 0.00000 91 2S -1.27718 0.00000 0.33395 2.35181 0.00000 92 3S 0.72326 0.00000 -0.19657 -1.29993 0.00000 93 4PX -0.40120 0.00000 0.13474 0.74412 0.00000 94 4PY 0.17098 0.00000 -0.05017 -0.18199 0.00000 95 4PZ 0.00000 0.01035 0.00000 0.00000 -0.01761 96 5 H 1S -0.37312 -0.34859 -0.11795 0.12399 -0.91765 97 2S 0.02558 0.99253 0.30992 -0.52436 3.25207 98 3S -0.63060 -0.41371 0.03148 0.11484 -1.04020 99 4PX -0.05822 0.12010 -0.01749 -0.16382 0.29861 100 4PY 0.41667 -0.20033 0.11027 0.14367 -0.54787 101 4PZ -0.01714 -0.07701 -0.17464 0.04220 -0.61822 102 6 H 1S -0.37312 0.34859 -0.11795 0.12399 0.91765 103 2S 0.02558 -0.99253 0.30992 -0.52436 -3.25207 104 3S -0.63060 0.41371 0.03148 0.11484 1.04020 105 4PX -0.05822 -0.12010 -0.01749 -0.16382 -0.29861 106 4PY 0.41667 0.20033 0.11027 0.14367 0.54787 107 4PZ 0.01714 -0.07701 0.17464 -0.04220 -0.61822 108 7 H 1S 0.08703 0.00000 -1.08565 0.21549 0.00000 109 2S -1.35892 0.00000 3.55832 -0.82452 0.00000 110 3S 0.20302 0.00000 -1.19414 0.26942 0.00000 111 4PX 0.34699 0.00000 -0.43626 0.04666 0.00000 112 4PY 0.25251 0.00000 -1.00665 0.22631 0.00000 113 4PZ 0.00000 0.42097 0.00000 0.00000 0.03961 114 8 H 1S 0.06140 -0.81548 0.51861 0.16922 0.36543 115 2S 0.57985 2.66487 -1.52394 -0.28914 -1.24120 116 3S 0.17831 -1.08078 0.86647 -0.06962 0.33375 117 4PX -0.15738 -0.14198 0.14952 0.05000 0.15380 118 4PY 0.46844 0.60624 0.10015 -0.04279 -0.14661 119 4PZ -0.03128 -0.59937 0.45627 0.03853 0.28669 120 9 H 1S 0.06140 0.81548 0.51861 0.16922 -0.36543 121 2S 0.57985 -2.66487 -1.52394 -0.28914 1.24120 122 3S 0.17831 1.08078 0.86647 -0.06962 -0.33375 123 4PX -0.15738 0.14198 0.14952 0.05000 -0.15380 124 4PY 0.46844 -0.60624 0.10015 -0.04279 0.14661 125 4PZ 0.03128 -0.59937 -0.45627 -0.03853 0.28669 101 102 103 104 105 V V V V V Eigenvalues -- 2.76715 2.80909 3.10569 3.16964 3.21129 1 1 C 1S -0.04029 -0.00330 -0.04243 0.04319 0.00000 2 2S -0.10832 -0.03913 -0.09568 0.10108 0.00000 3 2PX -0.09077 0.43296 -0.19147 0.62920 0.00000 4 2PY 0.07838 -0.09058 0.69967 0.13488 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.69445 6 3S 0.67991 0.39371 0.67206 -0.77960 0.00000 7 3PX 0.75129 -0.21927 0.57340 -1.01892 0.00000 8 3PY -0.04437 -0.13480 -1.34407 -0.18849 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 1.35975 10 4S 3.39314 1.97926 1.10375 -1.37652 0.00000 11 4PX -0.57023 0.22121 -0.04022 0.11280 0.00000 12 4PY 0.04359 -0.35894 -0.15567 0.19628 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.10975 14 5S -4.79172 -0.74449 -1.23210 -1.54627 0.00000 15 5PX 1.11206 -0.03761 0.28771 0.39874 0.00000 16 5PY -0.17899 0.16316 0.21551 -0.20445 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00462 18 6D 0 -0.03537 -0.08955 -0.10681 0.08840 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.47963 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.02893 21 6D+2 0.09310 0.22770 -0.17449 -0.12549 0.00000 22 6D-2 0.05134 -0.00951 0.25917 0.10877 0.00000 23 7D 0 0.01827 0.36696 0.44098 -0.02537 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.77743 25 7D-1 0.00000 0.00000 0.00000 0.00000 -0.73344 26 7D+2 -0.07500 -0.12822 0.11233 0.30924 0.00000 27 7D-2 0.07967 -0.07604 -0.56485 -0.38205 0.00000 28 2 C 1S 0.04166 0.00357 -0.01281 0.04654 0.00000 29 2S 0.10621 -0.02233 -0.03446 0.10029 0.00000 30 2PX -0.11597 -0.45957 0.44813 -0.50471 0.00000 31 2PY 0.06367 -0.08224 0.59109 0.84564 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 -0.74554 33 3S -0.58209 0.34052 0.01802 -0.83518 0.00000 34 3PX 0.67011 0.32786 -0.79518 0.77845 0.00000 35 3PY -0.74308 0.48669 -0.77519 -1.66858 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 1.61920 37 4S -3.96976 0.37344 2.02360 -0.48832 0.00000 38 4PX -0.36782 -0.90142 -0.34235 -0.06286 0.00000 39 4PY 0.08242 0.01833 -0.49442 -0.19633 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.84785 41 5S 6.27195 -1.38916 -1.26086 4.55282 0.00000 42 5PX 0.88635 0.52350 0.38872 0.49045 0.00000 43 5PY -0.23411 0.30695 0.36060 -0.65703 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.06695 45 6D 0 -0.00743 -0.14632 -0.01217 0.23639 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.51457 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.05660 48 6D+2 -0.05872 0.17772 -0.23508 -0.07687 0.00000 49 6D-2 -0.03795 -0.03580 0.08915 -0.05340 0.00000 50 7D 0 -0.24502 0.10508 -0.16606 -0.67636 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 -0.93406 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.94135 53 7D+2 0.11079 -0.44655 -0.11719 0.14171 0.00000 54 7D-2 0.31277 -0.08783 0.40693 0.42952 0.00000 55 3 S 1S -0.00056 0.00355 -0.00355 -0.00368 0.00000 56 2S -0.00132 0.01096 -0.01283 -0.01227 0.00000 57 3S 0.00018 -0.03209 0.05474 0.04431 0.00000 58 4S 0.02205 -0.03520 -0.03882 0.00428 0.00000 59 5S -0.14416 0.13091 0.33279 -0.11049 0.00000 60 6S 0.57058 -0.12850 -1.67969 -0.27035 0.00000 61 7S -1.11201 1.07650 1.70875 -2.07593 0.00000 62 7PX -0.08856 0.18263 0.29482 -0.47531 0.00000 63 7PY -0.49504 0.34479 0.59115 -0.60943 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.08092 65 8PX 0.00162 0.00448 -0.00583 0.00924 0.00000 66 8PY 0.01741 -0.00098 -0.02010 0.00977 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 -0.00612 68 9PX 0.00646 0.00766 -0.02113 0.01316 0.00000 69 9PY 0.04179 0.00072 -0.06147 0.01121 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 -0.01307 71 10PX -0.06925 0.02838 0.18002 -0.02693 0.00000 72 10PY -0.24592 -0.02981 0.47145 -0.00531 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.07921 74 11PX 0.32764 -0.53050 -0.57915 -0.24569 0.00000 75 11PY 0.49166 0.04722 -1.34596 -0.32139 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 -0.11597 77 12PX -0.00003 0.07672 0.00237 0.34941 0.00000 78 12PY 0.29227 -0.03553 -0.30445 -0.02450 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 -0.14625 80 13D 0 0.06017 -0.09123 -0.08566 0.03654 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 -0.05084 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.13600 83 13D+2 0.19602 0.27609 -0.14408 0.03274 0.00000 84 13D-2 -0.08437 -0.03702 0.01623 -0.11941 0.00000 85 14D 0 -0.03957 -0.06929 0.35891 0.04835 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.11519 87 14D-1 0.00000 0.00000 0.00000 0.00000 -0.22688 88 14D+2 -0.38958 -0.13055 0.60002 0.25114 0.00000 89 14D-2 0.20836 -0.19195 -0.32509 -0.03565 0.00000 90 4 H 1S -0.00090 0.45640 -0.08050 0.10725 0.00000 91 2S 0.21604 -1.03767 0.02897 -0.33731 0.00000 92 3S -0.03312 0.47817 0.02218 0.40040 0.00000 93 4PX 0.10585 -0.42465 -0.01797 -0.10393 0.00000 94 4PY -0.06634 -0.04303 0.15981 0.07816 0.00000 95 4PZ 0.00000 0.00000 0.00000 0.00000 0.06921 96 5 H 1S -0.61960 0.54359 0.40050 0.04562 -0.30071 97 2S 2.47922 -1.32570 -0.94819 1.27582 -1.28238 98 3S -1.04986 0.55365 0.39624 -0.61120 0.08050 99 4PX 0.08768 -0.07861 -0.11291 0.14630 0.00937 100 4PY -0.33663 0.04862 0.20776 -0.13794 0.21059 101 4PZ -0.73831 0.31797 0.14572 -0.49963 0.26242 102 6 H 1S -0.61960 0.54359 0.40050 0.04562 0.30071 103 2S 2.47922 -1.32570 -0.94819 1.27582 1.28238 104 3S -1.04986 0.55365 0.39624 -0.61120 -0.08050 105 4PX 0.08768 -0.07861 -0.11291 0.14630 -0.00937 106 4PY -0.33663 0.04862 0.20776 -0.13794 -0.21059 107 4PZ 0.73831 -0.31797 -0.14572 0.49963 0.26242 108 7 H 1S 0.52461 0.28732 0.33577 0.16616 0.00000 109 2S -1.90711 -0.50290 -0.00112 0.77299 0.00000 110 3S 0.64442 -0.01232 -0.10217 0.03749 0.00000 111 4PX 0.11302 0.01670 0.13168 0.01854 0.00000 112 4PY 0.67635 0.09824 0.15583 -0.42973 0.00000 113 4PZ 0.00000 0.00000 0.00000 0.00000 -0.04532 114 8 H 1S 0.41301 0.51746 0.12551 -0.25727 -0.39023 115 2S -1.60721 -1.55858 -1.47251 1.05825 -0.63161 116 3S 0.44042 0.38989 0.49159 -0.32333 0.03770 117 4PX 0.03808 0.16474 0.17718 -0.13140 -0.04424 118 4PY -0.26192 -0.21017 -0.16396 0.20051 -0.12015 119 4PZ 0.47777 0.26752 0.51819 -0.33483 0.17018 120 9 H 1S 0.41301 0.51746 0.12551 -0.25727 0.39023 121 2S -1.60721 -1.55858 -1.47251 1.05825 0.63161 122 3S 0.44042 0.38989 0.49159 -0.32333 -0.03770 123 4PX 0.03808 0.16474 0.17718 -0.13140 0.04424 124 4PY -0.26192 -0.21017 -0.16396 0.20051 0.12015 125 4PZ -0.47777 -0.26752 -0.51819 0.33483 0.17018 106 107 108 109 110 V V V V V Eigenvalues -- 3.22903 3.29090 3.35634 3.36983 3.40499 1 1 C 1S 0.00000 -0.02580 0.00769 -0.00072 0.00000 2 2S 0.00000 -0.05376 0.00834 -0.00715 0.00000 3 2PX 0.00000 -0.27956 -0.24106 -0.15535 0.00000 4 2PY 0.00000 -0.80776 -0.07688 -0.18200 0.00000 5 2PZ -0.85165 0.00000 0.00000 0.00000 0.28569 6 3S 0.00000 0.32975 0.15071 0.09958 0.00000 7 3PX 0.00000 0.88317 -0.04088 0.20668 0.00000 8 3PY 0.00000 1.56375 0.20463 0.24232 0.00000 9 3PZ 1.65343 0.00000 0.00000 0.00000 -0.69019 10 4S 0.00000 0.06739 -0.34314 -0.07372 0.00000 11 4PX 0.00000 0.12499 0.53011 0.21484 0.00000 12 4PY 0.00000 0.19345 0.27226 -0.77818 0.00000 13 4PZ 0.50777 0.00000 0.00000 0.00000 -0.86769 14 5S 0.00000 -0.64785 -0.72128 -0.73140 0.00000 15 5PX 0.00000 0.08837 0.18943 0.13818 0.00000 16 5PY 0.00000 -0.10188 -0.06393 0.01060 0.00000 17 5PZ -0.22524 0.00000 0.00000 0.00000 0.05286 18 6D 0 0.00000 0.52774 -0.03515 -0.61688 0.00000 19 6D+1 -0.25798 0.00000 0.00000 0.00000 -0.65346 20 6D-1 0.38745 0.00000 0.00000 0.00000 -0.67794 21 6D+2 0.00000 -0.04074 0.73490 -0.13022 0.00000 22 6D-2 0.00000 -0.16128 0.12110 -0.75637 0.00000 23 7D 0 0.00000 -0.79502 0.01394 0.67421 0.00000 24 7D+1 0.04069 0.00000 0.00000 0.00000 0.19939 25 7D-1 -0.62912 0.00000 0.00000 0.00000 1.19191 26 7D+2 0.00000 -0.40781 -0.71454 0.07976 0.00000 27 7D-2 0.00000 0.38527 -0.09076 0.37430 0.00000 28 2 C 1S 0.00000 -0.02012 0.00963 0.01398 0.00000 29 2S 0.00000 -0.03733 0.00953 0.02217 0.00000 30 2PX 0.00000 0.06844 0.27259 0.18006 0.00000 31 2PY 0.00000 0.44562 0.45416 0.45232 0.00000 32 2PZ 0.67812 0.00000 0.00000 0.00000 0.44889 33 3S 0.00000 0.00762 -0.13160 -0.25919 0.00000 34 3PX 0.00000 -0.27224 -0.07096 -0.09881 0.00000 35 3PY 0.00000 -0.52854 -0.88869 -0.80486 0.00000 36 3PZ -1.30089 0.00000 0.00000 0.00000 -0.89253 37 4S 0.00000 1.90997 1.81515 0.96489 0.00000 38 4PX 0.00000 0.28433 -0.70959 0.11943 0.00000 39 4PY 0.00000 -0.45364 -0.73682 -0.23174 0.00000 40 4PZ -0.40667 0.00000 0.00000 0.00000 0.51033 41 5S 0.00000 0.50387 0.35030 1.11584 0.00000 42 5PX 0.00000 0.09446 0.33390 0.13468 0.00000 43 5PY 0.00000 -0.05969 0.10864 -0.12417 0.00000 44 5PZ 0.27315 0.00000 0.00000 0.00000 0.11193 45 6D 0 0.00000 0.26217 -0.39597 0.15850 0.00000 46 6D+1 -0.30117 0.00000 0.00000 0.00000 0.23013 47 6D-1 0.26098 0.00000 0.00000 0.00000 0.47780 48 6D+2 0.00000 -0.34736 0.43944 0.35756 0.00000 49 6D-2 0.00000 -0.17364 -0.48941 0.17621 0.00000 50 7D 0 0.00000 -0.13706 0.18612 -0.56886 0.00000 51 7D+1 -0.09835 0.00000 0.00000 0.00000 0.17106 52 7D-1 -0.52273 0.00000 0.00000 0.00000 -1.03415 53 7D+2 0.00000 0.28313 -0.56167 -0.50583 0.00000 54 7D-2 0.00000 -0.08457 0.63701 0.18403 0.00000 55 3 S 1S 0.00000 0.00150 -0.00343 -0.00267 0.00000 56 2S 0.00000 0.00393 -0.01143 -0.00924 0.00000 57 3S 0.00000 -0.00514 0.04155 0.03642 0.00000 58 4S 0.00000 -0.04835 0.00226 -0.01107 0.00000 59 5S 0.00000 0.42230 0.10865 0.11347 0.00000 60 6S 0.00000 -1.13535 -1.48291 -0.92645 0.00000 61 7S 0.00000 -0.02910 0.46507 -0.21303 0.00000 62 7PX 0.00000 0.08300 0.06518 0.09296 0.00000 63 7PY 0.00000 0.10133 0.32054 -0.05704 0.00000 64 7PZ -0.04382 0.00000 0.00000 0.00000 -0.01777 65 8PX 0.00000 -0.01772 0.00594 -0.00622 0.00000 66 8PY 0.00000 -0.01972 -0.00914 -0.00329 0.00000 67 8PZ 0.00138 0.00000 0.00000 0.00000 -0.00138 68 9PX 0.00000 -0.04059 0.00610 -0.01904 0.00000 69 9PY 0.00000 -0.04747 -0.02763 -0.01492 0.00000 70 9PZ 0.00305 0.00000 0.00000 0.00000 -0.00589 71 10PX 0.00000 0.28530 0.00316 0.17348 0.00000 72 10PY 0.00000 0.32636 0.25857 0.15588 0.00000 73 10PZ -0.01503 0.00000 0.00000 0.00000 0.06092 74 11PX 0.00000 -0.64862 -0.25661 -0.60779 0.00000 75 11PY 0.00000 -0.69135 -1.05930 -0.68793 0.00000 76 11PZ -0.00101 0.00000 0.00000 0.00000 -0.24360 77 12PX 0.00000 -0.16467 -0.04554 -0.20955 0.00000 78 12PY 0.00000 -0.28253 -0.43069 -0.08176 0.00000 79 12PZ -0.01547 0.00000 0.00000 0.00000 -0.04362 80 13D 0 0.00000 -0.12568 0.03221 -0.02841 0.00000 81 13D+1 0.02887 0.00000 0.00000 0.00000 -0.02257 82 13D-1 -0.03373 0.00000 0.00000 0.00000 0.02326 83 13D+2 0.00000 0.04729 -0.12942 0.05940 0.00000 84 13D-2 0.00000 0.16734 -0.05498 0.04667 0.00000 85 14D 0 0.00000 0.25098 0.15808 0.21162 0.00000 86 14D+1 -0.06728 0.00000 0.00000 0.00000 -0.05566 87 14D-1 0.01669 0.00000 0.00000 0.00000 -0.20159 88 14D+2 0.00000 0.13732 0.50625 0.11732 0.00000 89 14D-2 0.00000 -0.45884 -0.16859 -0.41621 0.00000 90 4 H 1S 0.00000 0.03692 -0.11162 -0.01331 0.00000 91 2S 0.00000 -0.23141 0.14819 -0.16290 0.00000 92 3S 0.00000 0.08638 -0.01117 0.07112 0.00000 93 4PX 0.00000 -0.13746 0.03510 -0.07202 0.00000 94 4PY 0.00000 0.00802 0.12672 0.04165 0.00000 95 4PZ -0.01589 0.00000 0.00000 0.00000 0.03675 96 5 H 1S -0.03594 0.12762 0.06619 0.04853 0.22939 97 2S 0.91598 -0.50843 -0.02719 0.34873 0.49560 98 3S -0.32829 0.02019 -0.09075 -0.21876 -0.34078 99 4PX 0.28755 -0.03802 0.12480 0.11247 0.09387 100 4PY -0.08296 0.24201 0.07607 -0.13364 0.03146 101 4PZ -0.09587 0.17105 -0.19164 -0.09560 -0.15995 102 6 H 1S 0.03594 0.12762 0.06619 0.04853 -0.22939 103 2S -0.91598 -0.50843 -0.02719 0.34873 -0.49560 104 3S 0.32829 0.02019 -0.09075 -0.21876 0.34078 105 4PX -0.28755 -0.03802 0.12480 0.11247 -0.09387 106 4PY 0.08296 0.24201 0.07607 -0.13364 -0.03146 107 4PZ -0.09587 -0.17105 0.19164 0.09560 -0.15995 108 7 H 1S 0.00000 -0.06915 0.02938 -0.09379 0.00000 109 2S 0.00000 -1.83042 -0.30687 0.34140 0.00000 110 3S 0.00000 0.54534 0.03888 0.19976 0.00000 111 4PX 0.00000 0.39014 0.02739 -0.09832 0.00000 112 4PY 0.00000 0.51401 -0.10605 0.00056 0.00000 113 4PZ -0.11600 0.00000 0.00000 0.00000 -0.12010 114 8 H 1S 0.02584 0.20582 -0.14659 0.09854 0.08564 115 2S -1.16040 -0.06645 0.41120 -0.50123 0.96947 116 3S 0.33536 0.00436 -0.13736 -0.01959 -0.06084 117 4PX 0.27679 0.01629 -0.17197 0.04594 -0.13472 118 4PY -0.16377 -0.09858 0.10395 -0.07102 0.02124 119 4PZ 0.13036 0.15004 -0.12663 -0.00515 -0.15275 120 9 H 1S -0.02584 0.20582 -0.14659 0.09854 -0.08564 121 2S 1.16040 -0.06645 0.41120 -0.50123 -0.96947 122 3S -0.33536 0.00436 -0.13736 -0.01959 0.06084 123 4PX -0.27679 0.01629 -0.17197 0.04594 0.13472 124 4PY 0.16377 -0.09858 0.10395 -0.07102 -0.02124 125 4PZ 0.13036 -0.15004 0.12663 0.00515 -0.15275 111 112 113 114 115 V V V V V Eigenvalues -- 3.45541 3.51637 3.56176 3.77019 4.19230 1 1 C 1S 0.00000 -0.00804 -0.01440 -0.01412 0.00000 2 2S 0.00000 -0.01951 -0.03600 -0.03264 0.00000 3 2PX 0.00000 0.63799 0.44934 -0.10476 0.00000 4 2PY 0.00000 -0.08170 -0.20217 0.27178 0.00000 5 2PZ -0.04275 0.00000 0.00000 0.00000 -0.26886 6 3S 0.00000 -0.09623 0.08303 0.25000 0.00000 7 3PX 0.00000 -1.43147 -1.11764 0.20381 0.00000 8 3PY 0.00000 0.18603 0.43057 -0.69997 0.00000 9 3PZ 0.03752 0.00000 0.00000 0.00000 1.10363 10 4S 0.00000 4.76661 4.38057 1.22360 0.00000 11 4PX 0.00000 -2.42195 -2.07314 -0.47849 0.00000 12 4PY 0.00000 -0.39399 1.04703 -0.41781 0.00000 13 4PZ -1.00874 0.00000 0.00000 0.00000 0.04931 14 5S 0.00000 -2.01822 -3.31938 -0.80169 0.00000 15 5PX 0.00000 0.66183 0.96466 0.19750 0.00000 16 5PY 0.00000 -0.09770 -0.18379 0.03332 0.00000 17 5PZ 0.04396 0.00000 0.00000 0.00000 -0.01540 18 6D 0 0.00000 0.07505 0.39557 -0.04320 0.00000 19 6D+1 -0.50553 0.00000 0.00000 0.00000 0.37133 20 6D-1 -0.31026 0.00000 0.00000 0.00000 -0.44464 21 6D+2 0.00000 -0.53751 -0.05491 -0.25340 0.00000 22 6D-2 0.00000 -0.24028 0.26026 0.09630 0.00000 23 7D 0 0.00000 -0.58387 -0.69027 0.60059 0.00000 24 7D+1 0.86951 0.00000 0.00000 0.00000 0.32808 25 7D-1 -0.00751 0.00000 0.00000 0.00000 -0.35293 26 7D+2 0.00000 1.07144 0.55524 0.45110 0.00000 27 7D-2 0.00000 0.41867 -0.72528 -0.18637 0.00000 28 2 C 1S 0.00000 0.01210 0.01320 -0.02759 0.00000 29 2S 0.00000 0.02823 0.02673 -0.05146 0.00000 30 2PX 0.00000 0.47611 0.62173 0.03541 0.00000 31 2PY 0.00000 -0.04162 0.05240 -0.21295 0.00000 32 2PZ -0.17333 0.00000 0.00000 0.00000 -0.59278 33 3S 0.00000 0.02956 -0.06938 0.35106 0.00000 34 3PX 0.00000 -1.23680 -1.44383 -0.20601 0.00000 35 3PY 0.00000 0.05075 -0.09147 0.79631 0.00000 36 3PZ 0.44177 0.00000 0.00000 0.00000 2.25553 37 4S 0.00000 -4.64022 -3.95500 0.05653 0.00000 38 4PX 0.00000 -2.47152 -2.12244 -0.81244 0.00000 39 4PY 0.00000 1.14251 -1.25355 -0.63544 0.00000 40 4PZ 1.13441 0.00000 0.00000 0.00000 0.59555 41 5S 0.00000 2.12795 1.45116 -0.37742 0.00000 42 5PX 0.00000 0.75724 1.19936 0.38345 0.00000 43 5PY 0.00000 -0.10577 0.53085 0.26980 0.00000 44 5PZ -0.02317 0.00000 0.00000 0.00000 -0.21347 45 6D 0 0.00000 -0.59516 0.19071 0.75665 0.00000 46 6D+1 -0.78302 0.00000 0.00000 0.00000 -0.61083 47 6D-1 -0.63244 0.00000 0.00000 0.00000 0.83620 48 6D+2 0.00000 -0.08622 0.68384 0.40841 0.00000 49 6D-2 0.00000 -0.51630 0.51017 -0.79668 0.00000 50 7D 0 0.00000 0.95477 0.02151 -0.60313 0.00000 51 7D+1 0.91258 0.00000 0.00000 0.00000 -0.21024 52 7D-1 0.76561 0.00000 0.00000 0.00000 0.57309 53 7D+2 0.00000 -0.47075 -1.40721 -0.56103 0.00000 54 7D-2 0.00000 0.71416 -0.60344 0.74731 0.00000 55 3 S 1S 0.00000 0.00007 -0.00169 -0.00280 0.00000 56 2S 0.00000 0.00038 -0.00578 -0.00811 0.00000 57 3S 0.00000 -0.00228 0.02227 0.01968 0.00000 58 4S 0.00000 0.00271 -0.00312 0.05336 0.00000 59 5S 0.00000 0.06224 0.01040 -0.21873 0.00000 60 6S 0.00000 0.30384 -0.68319 -0.79689 0.00000 61 7S 0.00000 0.11013 1.27718 0.87910 0.00000 62 7PX 0.00000 -0.10592 0.09521 0.13474 0.00000 63 7PY 0.00000 0.08081 0.40964 0.35590 0.00000 64 7PZ 0.00050 0.00000 0.00000 0.00000 0.07356 65 8PX 0.00000 0.00257 -0.00602 0.01002 0.00000 66 8PY 0.00000 0.00316 -0.00074 0.01090 0.00000 67 8PZ -0.00013 0.00000 0.00000 0.00000 -0.00293 68 9PX 0.00000 0.00977 -0.01889 0.02367 0.00000 69 9PY 0.00000 0.00415 -0.00479 0.02653 0.00000 70 9PZ 0.00217 0.00000 0.00000 0.00000 -0.00667 71 10PX 0.00000 -0.10970 0.18494 -0.15530 0.00000 72 10PY 0.00000 -0.01352 0.05845 -0.13441 0.00000 73 10PZ -0.03326 0.00000 0.00000 0.00000 0.05196 74 11PX 0.00000 0.54385 -0.67934 0.08023 0.00000 75 11PY 0.00000 0.07482 -0.34688 -0.36736 0.00000 76 11PZ 0.13775 0.00000 0.00000 0.00000 -0.10125 77 12PX 0.00000 -0.12730 0.13167 -0.06623 0.00000 78 12PY 0.00000 0.03266 -0.12949 -0.21943 0.00000 79 12PZ -0.05652 0.00000 0.00000 0.00000 -0.05383 80 13D 0 0.00000 -0.01383 0.01521 0.04618 0.00000 81 13D+1 0.01567 0.00000 0.00000 0.00000 0.00794 82 13D-1 0.01356 0.00000 0.00000 0.00000 0.03475 83 13D+2 0.00000 -0.00701 -0.00013 0.08985 0.00000 84 13D-2 0.00000 -0.03860 0.00866 -0.13546 0.00000 85 14D 0 0.00000 0.07745 0.04392 0.06622 0.00000 86 14D+1 0.02141 0.00000 0.00000 0.00000 -0.01627 87 14D-1 0.13147 0.00000 0.00000 0.00000 -0.10289 88 14D+2 0.00000 0.01799 0.01205 -0.05789 0.00000 89 14D-2 0.00000 0.22695 -0.36462 0.15277 0.00000 90 4 H 1S 0.00000 -0.06729 -0.08882 0.07991 0.00000 91 2S 0.00000 0.39857 -0.16812 0.13186 0.00000 92 3S 0.00000 -0.38929 0.14741 -0.00924 0.00000 93 4PX 0.00000 0.14979 -0.09245 0.04253 0.00000 94 4PY 0.00000 -0.00968 0.00995 -0.05521 0.00000 95 4PZ -0.02358 0.00000 0.00000 0.00000 0.00971 96 5 H 1S 0.01422 -0.11157 -0.14377 0.02726 -0.22483 97 2S -0.58318 0.04282 0.34143 -0.37090 -1.69377 98 3S -0.13601 -0.21926 0.28720 0.18274 0.35258 99 4PX -0.22018 0.02865 0.16861 -0.16383 -0.38328 100 4PY -0.03338 0.00855 -0.04972 0.13768 0.54476 101 4PZ 0.02384 -0.08361 0.03311 0.45520 0.78571 102 6 H 1S -0.01422 -0.11157 -0.14377 0.02726 0.22483 103 2S 0.58318 0.04282 0.34143 -0.37090 1.69377 104 3S 0.13601 -0.21926 0.28720 0.18274 -0.35258 105 4PX 0.22018 0.02865 0.16861 -0.16383 0.38328 106 4PY 0.03338 0.00855 -0.04972 0.13768 -0.54476 107 4PZ 0.02384 0.08361 -0.03311 -0.45520 0.78571 108 7 H 1S 0.00000 0.08144 0.17880 0.22591 0.00000 109 2S 0.00000 -0.21482 -0.63044 0.34647 0.00000 110 3S 0.00000 0.20610 0.05941 0.06544 0.00000 111 4PX 0.00000 0.02356 0.22590 -0.06053 0.00000 112 4PY 0.00000 0.08979 -0.01820 0.04604 0.00000 113 4PZ 0.05475 0.00000 0.00000 0.00000 -0.05171 114 8 H 1S -0.14471 0.16532 0.18531 -0.03495 -0.13989 115 2S 0.14132 -0.10376 -0.30256 -0.73805 -0.86434 116 3S 0.18044 -0.09051 0.35467 0.13739 0.19467 117 4PX -0.12552 0.10157 0.02885 0.09944 0.15624 118 4PY -0.00995 0.02667 -0.04151 -0.19298 -0.29413 119 4PZ 0.09087 -0.02595 0.07262 0.14310 0.43950 120 9 H 1S 0.14471 0.16532 0.18531 -0.03495 0.13989 121 2S -0.14132 -0.10376 -0.30256 -0.73805 0.86434 122 3S -0.18044 -0.09051 0.35467 0.13739 -0.19467 123 4PX 0.12552 0.10157 0.02885 0.09944 -0.15624 124 4PY 0.00995 0.02667 -0.04151 -0.19298 0.29413 125 4PZ 0.09087 0.02595 -0.07262 -0.14310 0.43950 116 117 118 119 120 V V V V V Eigenvalues -- 4.21202 4.22114 4.42192 7.93294 17.32853 1 1 C 1S 0.00041 0.00000 0.00042 0.00100 0.00000 2 2S 0.00002 0.00000 -0.02246 0.00023 0.00000 3 2PX -0.08001 0.00000 -0.75727 -0.00349 0.00000 4 2PY -0.73409 0.00000 0.10495 -0.02869 0.00000 5 2PZ 0.00000 -0.69574 0.00000 0.00000 0.00092 6 3S 0.00826 0.00000 0.35499 -0.01521 0.00000 7 3PX 0.25361 0.00000 2.05386 0.03138 0.00000 8 3PY 2.63703 0.00000 -0.35696 0.13959 0.00000 9 3PZ 0.00000 2.40920 0.00000 0.00000 -0.00492 10 4S -0.09907 0.00000 -1.15935 0.08205 0.00000 11 4PX 0.09045 0.00000 0.57825 -0.05382 0.00000 12 4PY 0.49437 0.00000 -0.20712 0.04754 0.00000 13 4PZ 0.00000 0.52431 0.00000 0.00000 0.03068 14 5S -0.04582 0.00000 -0.26881 -3.13117 0.00000 15 5PX 0.00467 0.00000 -0.00345 0.84409 0.00000 16 5PY -0.24320 0.00000 0.02552 0.02106 0.00000 17 5PZ 0.00000 -0.22192 0.00000 0.00000 -0.03517 18 6D 0 -0.72314 0.00000 0.39040 0.01837 0.00000 19 6D+1 0.00000 0.60194 0.00000 0.00000 0.00280 20 6D-1 0.00000 -0.79917 0.00000 0.00000 0.00366 21 6D+2 -0.35384 0.00000 -0.60037 -0.00041 0.00000 22 6D-2 0.82370 0.00000 0.02663 -0.00900 0.00000 23 7D 0 -0.47304 0.00000 0.36125 -0.18092 0.00000 24 7D+1 0.00000 -0.09621 0.00000 0.00000 0.00377 25 7D-1 0.00000 -0.37690 0.00000 0.00000 -0.02241 26 7D+2 -0.26548 0.00000 -0.33381 -0.08739 0.00000 27 7D-2 0.18768 0.00000 0.02005 0.11240 0.00000 28 2 C 1S 0.00000 0.00000 -0.00513 -0.00580 0.00000 29 2S 0.00155 0.00000 0.01498 -0.00472 0.00000 30 2PX -0.02701 0.00000 -0.70484 -0.03088 0.00000 31 2PY 0.11784 0.00000 0.19636 -0.06929 0.00000 32 2PZ 0.00000 0.43618 0.00000 0.00000 0.00897 33 3S -0.00990 0.00000 -0.31638 0.08285 0.00000 34 3PX 0.06131 0.00000 1.90058 0.01948 0.00000 35 3PY -0.26635 0.00000 -0.69162 0.12504 0.00000 36 3PZ 0.00000 -1.45514 0.00000 0.00000 -0.03692 37 4S 0.01505 0.00000 1.20345 0.25889 0.00000 38 4PX 0.05455 0.00000 0.65713 -0.12964 0.00000 39 4PY -0.02852 0.00000 -0.16531 0.21908 0.00000 40 4PZ 0.00000 -0.48296 0.00000 0.00000 -0.09305 41 5S 0.54196 0.00000 0.56012 3.70355 0.00000 42 5PX 0.02569 0.00000 -0.06895 0.79093 0.00000 43 5PY -0.04238 0.00000 -0.04953 -0.43520 0.00000 44 5PZ 0.00000 0.22123 0.00000 0.00000 -0.01399 45 6D 0 -0.05666 0.00000 -0.47105 -0.03519 0.00000 46 6D+1 0.00000 0.28767 0.00000 0.00000 -0.00193 47 6D-1 0.00000 -0.44243 0.00000 0.00000 -0.00577 48 6D+2 0.02266 0.00000 0.56132 -0.02960 0.00000 49 6D-2 -0.01885 0.00000 0.07011 0.02300 0.00000 50 7D 0 0.09849 0.00000 -0.42153 0.24910 0.00000 51 7D+1 0.00000 -0.22764 0.00000 0.00000 0.05315 52 7D-1 0.00000 -0.23669 0.00000 0.00000 0.02893 53 7D+2 0.03483 0.00000 0.32784 0.10159 0.00000 54 7D-2 -0.28279 0.00000 0.06811 -0.15781 0.00000 55 3 S 1S 0.00017 0.00000 0.00046 -0.11461 0.00000 56 2S 0.00041 0.00000 0.00173 -0.45384 0.00000 57 3S -0.00027 0.00000 -0.00820 2.55769 0.00000 58 4S -0.00651 0.00000 0.00746 -3.02537 0.00000 59 5S -0.00220 0.00000 -0.01723 1.90399 0.00000 60 6S 0.17245 0.00000 -0.07714 -1.15140 0.00000 61 7S -0.37076 0.00000 -0.29140 -0.41468 0.00000 62 7PX -0.10107 0.00000 -0.00921 0.05546 0.00000 63 7PY -0.08743 0.00000 -0.08880 0.04668 0.00000 64 7PZ 0.00000 -0.05448 0.00000 0.00000 0.19413 65 8PX 0.00128 0.00000 -0.00202 -0.00023 0.00000 66 8PY 0.00111 0.00000 0.00136 -0.00393 0.00000 67 8PZ 0.00000 0.00085 0.00000 0.00000 -1.21190 68 9PX -0.00086 0.00000 -0.00486 -0.00036 0.00000 69 9PY 0.00095 0.00000 0.00425 -0.00052 0.00000 70 9PZ 0.00000 0.00253 0.00000 0.00000 1.37839 71 10PX 0.02147 0.00000 0.04744 0.03190 0.00000 72 10PY -0.01093 0.00000 -0.03599 -0.01721 0.00000 73 10PZ 0.00000 -0.02055 0.00000 0.00000 -0.95825 74 11PX -0.08271 0.00000 -0.16580 -0.15533 0.00000 75 11PY 0.11217 0.00000 0.03067 0.25952 0.00000 76 11PZ 0.00000 0.04076 0.00000 0.00000 0.60804 77 12PX 0.03912 0.00000 0.01612 0.04630 0.00000 78 12PY 0.01023 0.00000 -0.03227 -0.39111 0.00000 79 12PZ 0.00000 0.03276 0.00000 0.00000 -0.33984 80 13D 0 0.01345 0.00000 -0.00343 -0.02898 0.00000 81 13D+1 0.00000 -0.00701 0.00000 0.00000 -0.00095 82 13D-1 0.00000 -0.01745 0.00000 0.00000 -0.01018 83 13D+2 -0.01011 0.00000 0.03532 0.00233 0.00000 84 13D-2 0.01188 0.00000 0.01744 0.01630 0.00000 85 14D 0 -0.06009 0.00000 0.00169 -0.06905 0.00000 86 14D+1 0.00000 0.01653 0.00000 0.00000 0.00466 87 14D-1 0.00000 0.04750 0.00000 0.00000 0.04006 88 14D+2 0.00454 0.00000 -0.07801 0.06771 0.00000 89 14D-2 -0.05827 0.00000 -0.08500 -0.05836 0.00000 90 4 H 1S -0.00096 0.00000 0.01936 0.04059 0.00000 91 2S -0.11624 0.00000 -0.09003 -0.33647 0.00000 92 3S 0.03301 0.00000 0.08075 0.38469 0.00000 93 4PX -0.04911 0.00000 -0.05116 -0.20767 0.00000 94 4PY 0.00189 0.00000 -0.02918 0.05871 0.00000 95 4PZ 0.00000 -0.00312 0.00000 0.00000 -0.02013 96 5 H 1S 0.00689 0.12570 0.15159 -0.02460 -0.00192 97 2S 0.00643 0.88049 0.64617 -0.19017 0.05844 98 3S -0.07925 -0.19660 -0.22242 -0.22233 0.04043 99 4PX 0.04347 0.30240 0.02862 -0.02582 -0.00799 100 4PY 0.01198 -0.28914 -0.21127 0.03172 -0.02628 101 4PZ -0.03317 -0.39892 -0.40789 0.02831 -0.00434 102 6 H 1S 0.00689 -0.12570 0.15159 -0.02460 0.00192 103 2S 0.00643 -0.88049 0.64617 -0.19017 -0.05844 104 3S -0.07925 0.19660 -0.22242 -0.22233 -0.04043 105 4PX 0.04347 -0.30240 0.02862 -0.02582 0.00799 106 4PY 0.01198 0.28914 -0.21127 0.03172 0.02628 107 4PZ 0.03317 -0.39892 0.40789 -0.02831 -0.00434 108 7 H 1S -0.32156 0.00000 -0.08678 -0.02146 0.00000 109 2S -2.02245 0.00000 -0.18756 -0.27142 0.00000 110 3S 0.44112 0.00000 0.14220 0.17784 0.00000 111 4PX 0.66315 0.00000 -0.03192 0.02672 0.00000 112 4PY 1.16167 0.00000 0.27448 0.05448 0.00000 113 4PZ 0.00000 -0.14897 0.00000 0.00000 0.00330 114 8 H 1S 0.14025 -0.22729 -0.11276 0.02260 -0.00066 115 2S 1.03624 -1.46657 -0.61305 0.05938 -0.02050 116 3S -0.28354 0.32067 0.17567 0.07010 0.03140 117 4PX -0.28252 0.44439 0.02503 -0.00088 -0.00472 118 4PY 0.20474 -0.53685 -0.21138 0.03913 0.00005 119 4PZ -0.57192 0.72880 0.36034 -0.00353 0.00196 120 9 H 1S 0.14025 0.22729 -0.11276 0.02260 0.00066 121 2S 1.03624 1.46657 -0.61305 0.05938 0.02050 122 3S -0.28354 -0.32067 0.17567 0.07010 -0.03140 123 4PX -0.28252 -0.44439 0.02503 -0.00088 0.00472 124 4PY 0.20474 0.53685 -0.21138 0.03913 -0.00005 125 4PZ 0.57192 0.72880 -0.36034 0.00353 0.00196 121 122 123 124 125 V V V V V Eigenvalues -- 17.39081 17.57076 23.84627 23.97742 189.09987 1 1 C 1S -0.00121 0.00585 0.61030 -1.94573 0.00015 2 2S 0.00104 -0.00400 -0.66767 2.14199 -0.00033 3 2PX 0.00265 0.01221 0.03321 0.03529 0.00051 4 2PY 0.00904 0.01169 -0.00040 -0.00167 0.00416 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00510 -0.03013 0.17949 -0.77657 0.00296 7 3PX -0.02091 -0.04841 -0.03522 -0.15438 -0.00493 8 3PY -0.03218 -0.04880 -0.02065 0.00222 -0.02343 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.01292 0.19302 -0.20945 0.05447 -0.01868 11 4PX 0.00851 -0.13592 0.00270 -0.12547 0.01185 12 4PY -0.05139 -0.07140 -0.03321 -0.02273 -0.00616 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.13359 0.64138 -0.32605 0.59808 0.69844 15 5PX -0.07515 -0.14184 0.06518 -0.08419 -0.18841 16 5PY 0.00159 0.06143 -0.02106 -0.00141 -0.00438 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 -0.00544 -0.00768 -0.00052 -0.00942 -0.00258 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00565 -0.00891 -0.00454 0.01198 -0.00019 22 6D-2 0.00296 0.00591 0.00079 -0.00245 0.00150 23 7D 0 0.01771 0.03045 0.01891 -0.04399 0.03120 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00074 0.06417 0.08359 0.12204 0.01509 27 7D-2 0.02700 -0.02483 -0.04583 -0.02380 -0.01914 28 2 C 1S -0.00245 0.02047 -1.94285 -0.61265 -0.00165 29 2S 0.00171 -0.01550 2.12966 0.67570 0.00343 30 2PX 0.00423 -0.01107 0.00544 -0.04108 0.00344 31 2PY -0.00145 -0.02049 0.03386 0.01625 0.00861 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.00824 0.09616 -0.72040 -0.28408 -0.01305 34 3PX -0.00442 0.06075 0.03917 0.07702 -0.00018 35 3PY 0.00165 0.11021 -0.19114 -0.08990 -0.01623 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.17431 -0.96237 0.33963 -0.12391 -0.06356 38 4PX -0.10449 0.09912 0.05223 0.08530 0.03251 39 4PY 0.03732 0.47775 -0.21978 -0.03223 -0.03636 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.34184 -0.07397 0.45977 -0.37904 -0.81926 42 5PX 0.00515 -0.31205 0.04149 -0.15077 -0.17870 43 5PY 0.06868 -0.22260 0.02756 0.01867 0.09449 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00427 0.00364 -0.01741 -0.00748 0.00530 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 -0.00395 0.00628 0.00705 -0.00605 0.00440 49 6D-2 -0.01470 -0.01390 0.01652 0.01065 -0.00380 50 7D 0 0.02833 0.07498 -0.15536 -0.10821 -0.04405 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.03859 0.07703 -0.03197 0.09273 -0.01659 54 7D-2 0.08568 -0.08432 0.09300 0.01639 0.02647 55 3 S 1S -0.00025 0.00045 0.00053 0.00010 -1.53868 56 2S -0.00064 0.00156 0.00167 0.00032 1.88073 57 3S 0.00527 -0.01280 -0.01410 -0.00288 -1.36567 58 4S -0.01071 0.02740 0.02719 0.00629 0.91160 59 5S 0.03944 -0.17231 -0.02133 -0.01798 -0.41199 60 6S -0.07654 0.78033 -0.23069 0.04597 0.26716 61 7S 0.25715 -0.48046 -0.06275 -0.01970 0.08588 62 7PX 0.16907 0.01067 0.01538 0.00598 -0.01219 63 7PY 0.01854 -0.07870 0.01526 0.00022 -0.01248 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX -1.06572 -0.58069 -0.00452 -0.00281 -0.00004 66 8PY 0.57937 -1.06791 -0.01125 -0.00772 -0.00074 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 1.21790 0.67303 0.00688 0.00457 0.00026 69 9PY -0.66216 1.23728 0.01723 0.01217 0.00173 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX -0.86951 -0.53656 -0.00759 -0.01318 -0.00657 72 10PY 0.47577 -0.97656 -0.01884 -0.02360 0.00094 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX 0.57709 0.53318 -0.03847 0.03957 0.03043 75 11PY -0.33740 0.93857 -0.09028 0.03683 -0.04056 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX -0.35977 -0.15598 -0.02713 -0.03123 -0.01012 78 12PY 0.12623 -0.06837 -0.09113 -0.00078 0.08749 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 -0.00906 0.02402 0.00476 -0.00150 0.00418 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 -0.00299 0.02990 0.00977 0.00783 0.00049 84 13D-2 -0.01413 -0.02904 -0.00886 -0.00321 -0.00252 85 14D 0 0.02905 -0.11114 0.02682 0.01110 0.01054 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.03100 -0.16311 -0.00284 -0.02981 -0.01567 89 14D-2 0.04414 0.15981 -0.01451 0.02029 0.01199 90 4 H 1S 0.02286 0.01679 -0.00132 0.00075 -0.00673 91 2S 0.11427 0.04457 0.03449 0.03820 0.06067 92 3S -0.17733 -0.12109 0.01343 -0.03999 -0.08269 93 4PX -0.02337 0.01178 0.00925 0.01058 0.03703 94 4PY 0.02384 -0.04271 -0.00120 -0.00652 -0.01128 95 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 96 5 H 1S 0.00445 -0.01945 -0.00440 0.00024 0.00333 97 2S -0.05009 0.10521 0.34582 0.20733 0.03680 98 3S -0.02973 -0.03024 -0.16917 -0.04104 0.04750 99 4PX 0.00352 -0.00715 0.05586 0.02695 0.00404 100 4PY 0.01796 -0.03118 -0.08669 -0.04214 -0.00622 101 4PZ -0.00086 -0.00302 -0.14992 -0.06968 -0.00496 102 6 H 1S 0.00445 -0.01945 -0.00440 0.00024 0.00333 103 2S -0.05009 0.10521 0.34582 0.20733 0.03680 104 3S -0.02973 -0.03024 -0.16917 -0.04104 0.04750 105 4PX 0.00352 -0.00715 0.05586 0.02695 0.00404 106 4PY 0.01796 -0.03118 -0.08669 -0.04214 -0.00622 107 4PZ 0.00086 0.00302 0.14992 0.06968 0.00496 108 7 H 1S -0.00007 0.00127 0.01464 -0.01126 0.00266 109 2S 0.03338 0.10763 0.04792 0.34523 0.04905 110 3S 0.00759 -0.05961 0.06697 -0.14732 -0.03912 111 4PX -0.01142 -0.01096 0.00543 -0.06727 -0.00475 112 4PY -0.00707 -0.02377 0.01686 -0.16529 -0.00921 113 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 114 8 H 1S -0.00849 -0.01203 0.00645 -0.01386 -0.00359 115 2S 0.02041 0.01393 -0.06148 0.30263 -0.00870 116 3S -0.00341 -0.03164 0.05285 -0.16459 -0.01494 117 4PX -0.00559 -0.01377 0.01245 -0.04617 -0.00006 118 4PY -0.00373 -0.00824 -0.02494 0.08290 -0.00670 119 4PZ -0.00674 -0.00586 0.02901 -0.14244 0.00053 120 9 H 1S -0.00849 -0.01203 0.00645 -0.01386 -0.00359 121 2S 0.02041 0.01393 -0.06148 0.30263 -0.00870 122 3S -0.00341 -0.03164 0.05285 -0.16459 -0.01494 123 4PX -0.00559 -0.01377 0.01245 -0.04617 -0.00006 124 4PY -0.00373 -0.00824 -0.02494 0.08290 -0.00670 125 4PZ 0.00674 0.00586 -0.02901 0.14244 -0.00053 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65770 2 2S 0.55846 0.48639 3 2PX -0.00147 -0.00177 0.07888 4 2PY 0.00028 0.00038 0.00037 0.08653 5 2PZ -0.00000 -0.00000 0.00000 0.00000 0.08723 6 3S -0.07469 -0.13216 0.00142 -0.00037 0.00000 7 3PX 0.00263 0.00306 0.11419 -0.00044 0.00000 8 3PY -0.00013 -0.00013 -0.00017 0.11817 -0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.00000 0.11932 10 4S -0.06739 -0.09751 0.01084 -0.00291 0.00000 11 4PX 0.00086 -0.00044 0.07424 -0.00124 0.00000 12 4PY 0.00026 0.00018 -0.00100 0.08197 -0.00000 13 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.08415 14 5S -0.03763 -0.04784 0.01196 -0.02379 0.00000 15 5PX 0.00690 0.00918 0.00199 0.00690 0.00000 16 5PY -0.00050 -0.00070 0.00113 0.01014 -0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00964 18 6D 0 0.00014 0.00015 0.00263 -0.00448 -0.00000 19 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00322 20 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00510 21 6D+2 -0.00024 -0.00029 -0.00518 -0.00159 -0.00000 22 6D-2 0.00005 0.00006 0.00095 0.00372 -0.00000 23 7D 0 0.00140 0.00160 0.00329 -0.00174 -0.00000 24 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00253 25 7D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00237 26 7D+2 -0.00199 -0.00192 -0.00549 0.00019 -0.00000 27 7D-2 0.00017 0.00013 0.00193 0.00169 -0.00000 28 2 C 1S 0.00342 0.00514 0.01628 -0.00074 0.00000 29 2S 0.00513 0.00779 0.02602 -0.00115 0.00000 30 2PX -0.01554 -0.02478 -0.06571 0.00630 0.00000 31 2PY 0.00208 0.00335 0.00825 0.00237 -0.00000 32 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00107 33 3S -0.01187 -0.01853 -0.07355 0.00278 0.00000 34 3PX -0.02468 -0.03819 -0.09731 0.00926 0.00000 35 3PY 0.00334 0.00498 0.01287 0.00397 -0.00000 36 3PZ -0.00000 -0.00000 -0.00000 0.00000 0.00250 37 4S 0.00144 -0.00134 -0.04056 0.00298 0.00000 38 4PX -0.01284 -0.02019 -0.06632 0.00255 -0.00000 39 4PY 0.00189 0.00324 0.01142 -0.00382 0.00000 40 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00714 41 5S 0.03337 0.04264 0.01114 0.01273 0.00000 42 5PX 0.00881 0.01144 -0.00598 0.00646 -0.00000 43 5PY -0.00139 -0.00157 -0.00375 -0.00087 0.00000 44 5PZ 0.00000 0.00000 -0.00000 0.00000 -0.00344 45 6D 0 0.00089 0.00140 0.00222 -0.00073 -0.00000 46 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00288 47 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00071 48 6D+2 -0.00139 -0.00225 -0.00377 0.00043 0.00000 49 6D-2 0.00016 0.00029 0.00087 0.00277 -0.00000 50 7D 0 0.00237 0.00294 0.00357 -0.00200 -0.00000 51 7D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00958 52 7D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00304 53 7D+2 -0.00366 -0.00462 -0.00301 -0.00049 0.00000 54 7D-2 0.00088 0.00127 0.00295 0.00942 -0.00000 55 3 S 1S 0.00033 0.00052 0.00083 0.00083 0.00000 56 2S 0.00094 0.00149 0.00238 0.00239 0.00000 57 3S -0.00206 -0.00326 -0.00527 -0.00528 -0.00000 58 4S -0.00354 -0.00565 -0.00895 -0.00892 -0.00000 59 5S 0.00687 0.01088 0.01624 0.01829 0.00000 60 6S 0.00471 0.00865 0.02300 0.01409 0.00000 61 7S -0.00255 -0.00264 -0.01129 0.00869 0.00000 62 7PX -0.00157 -0.00218 -0.00388 0.00092 0.00000 63 7PY -0.00094 -0.00107 -0.00553 0.00074 -0.00000 64 7PZ -0.00000 -0.00000 -0.00000 0.00000 0.00085 65 8PX -0.00106 -0.00172 -0.00265 -0.00128 0.00000 66 8PY -0.00027 -0.00044 -0.00247 -0.00179 -0.00000 67 8PZ -0.00000 -0.00000 0.00000 -0.00000 0.00202 68 9PX -0.00203 -0.00331 -0.00502 -0.00243 0.00000 69 9PY -0.00054 -0.00087 -0.00466 -0.00343 -0.00000 70 9PZ -0.00000 -0.00000 0.00000 -0.00000 0.00384 71 10PX 0.00343 0.00547 0.00821 0.00383 -0.00000 72 10PY 0.00090 0.00132 0.00654 0.00553 0.00000 73 10PZ 0.00000 0.00000 -0.00000 0.00000 -0.00582 74 11PX 0.00427 0.00748 0.01309 0.00748 -0.00000 75 11PY 0.00067 0.00164 0.01486 0.00886 0.00000 76 11PZ 0.00000 0.00000 -0.00000 0.00000 -0.01134 77 12PX 0.00412 0.00599 0.01284 0.00667 0.00000 78 12PY -0.00068 -0.00079 0.00615 0.00789 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00629 80 13D 0 0.00029 0.00041 0.00111 0.00048 -0.00000 81 13D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00062 82 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00038 83 13D+2 -0.00121 -0.00186 -0.00427 -0.00129 -0.00000 84 13D-2 -0.00002 0.00000 -0.00164 -0.00007 -0.00000 85 14D 0 0.00009 0.00026 0.00064 0.00202 -0.00000 86 14D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00239 87 14D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00079 88 14D+2 -0.00161 -0.00292 -0.00724 -0.00207 0.00000 89 14D-2 -0.00082 -0.00103 -0.00517 0.00008 -0.00000 90 4 H 1S -0.00269 -0.00434 -0.00788 -0.00243 -0.00000 91 2S -0.00627 -0.00962 -0.01941 -0.00423 -0.00000 92 3S -0.00183 -0.00380 -0.01206 -0.00559 -0.00000 93 4PX -0.00062 -0.00089 -0.00152 0.00044 -0.00000 94 4PY 0.00028 0.00037 0.00142 0.00042 0.00000 95 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00053 96 5 H 1S 0.00284 0.00463 0.00753 -0.00338 -0.00474 97 2S 0.00292 0.00588 0.01194 -0.00593 -0.00618 98 3S 0.00130 0.00231 0.00882 -0.00917 -0.01358 99 4PX -0.00078 -0.00113 -0.00357 0.00031 0.00001 100 4PY 0.00015 0.00008 0.00037 0.00014 -0.00006 101 4PZ -0.00007 -0.00033 -0.00065 0.00006 -0.00014 102 6 H 1S 0.00284 0.00463 0.00753 -0.00338 0.00474 103 2S 0.00292 0.00588 0.01194 -0.00593 0.00618 104 3S 0.00130 0.00231 0.00882 -0.00917 0.01358 105 4PX -0.00078 -0.00113 -0.00357 0.00031 -0.00001 106 4PY 0.00015 0.00008 0.00037 0.00014 0.00006 107 4PZ 0.00007 0.00033 0.00065 -0.00006 -0.00014 108 7 H 1S -0.01842 -0.02870 0.03033 0.07012 0.00000 109 2S -0.02674 -0.03811 0.04253 0.10361 0.00000 110 3S 0.00488 0.00472 0.01573 0.04294 0.00000 111 4PX 0.00240 0.00305 0.00208 -0.00560 0.00000 112 4PY 0.00559 0.00701 -0.00438 -0.00641 -0.00000 113 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00524 114 8 H 1S -0.01858 -0.02892 0.02286 -0.03771 0.06279 115 2S -0.02722 -0.03908 0.03121 -0.05459 0.09067 116 3S 0.00524 0.00512 0.00933 -0.01925 0.03645 117 4PX 0.00182 0.00235 0.00322 0.00227 -0.00379 118 4PY -0.00308 -0.00389 0.00182 0.00175 0.00553 119 4PZ 0.00504 0.00634 -0.00299 0.00541 -0.00396 120 9 H 1S -0.01858 -0.02892 0.02286 -0.03771 -0.06279 121 2S -0.02722 -0.03908 0.03121 -0.05459 -0.09067 122 3S 0.00524 0.00512 0.00933 -0.01925 -0.03645 123 4PX 0.00182 0.00235 0.00322 0.00227 0.00379 124 4PY -0.00308 -0.00389 0.00182 0.00175 -0.00553 125 4PZ -0.00504 -0.00634 0.00299 -0.00541 -0.00396 6 7 8 9 10 6 3S 0.39598 7 3PX -0.00736 0.16563 8 3PY 0.00079 -0.00153 0.16159 9 3PZ -0.00000 0.00000 -0.00000 0.16322 10 4S 0.23460 0.00994 -0.00372 0.00000 0.14258 11 4PX 0.00478 0.10745 -0.00225 0.00000 0.01170 12 4PY 0.00072 -0.00247 0.11171 -0.00000 -0.00153 13 4PZ 0.00000 0.00000 -0.00000 0.11505 0.00000 14 5S 0.09374 0.01467 -0.03478 0.00000 0.06163 15 5PX -0.01969 0.00336 0.00991 0.00000 -0.01250 16 5PY 0.00165 0.00142 0.01365 -0.00000 0.00142 17 5PZ -0.00000 0.00000 0.00000 0.01315 -0.00000 18 6D 0 -0.00028 0.00389 -0.00611 -0.00000 0.00026 19 6D+1 0.00000 -0.00000 -0.00000 0.00437 0.00000 20 6D-1 0.00000 -0.00000 0.00000 -0.00697 -0.00000 21 6D+2 0.00059 -0.00751 -0.00215 -0.00000 -0.00025 22 6D-2 -0.00011 0.00128 0.00496 -0.00000 0.00024 23 7D 0 -0.00254 0.00484 -0.00248 -0.00000 -0.00098 24 7D+1 -0.00000 -0.00000 -0.00000 0.00335 -0.00000 25 7D-1 0.00000 -0.00000 0.00000 -0.00319 0.00000 26 7D+2 0.00151 -0.00810 0.00011 -0.00000 0.00052 27 7D-2 0.00002 0.00268 0.00205 -0.00000 0.00090 28 2 C 1S -0.01170 0.02618 -0.00016 0.00000 0.00040 29 2S -0.01827 0.04042 -0.00045 0.00000 -0.00258 30 2PX 0.06939 -0.09645 0.01033 0.00000 0.03240 31 2PY -0.00926 0.01345 0.00635 -0.00000 -0.01305 32 2PZ 0.00000 -0.00000 0.00000 0.00248 0.00000 33 3S 0.04555 -0.10975 0.00146 0.00000 0.01447 34 3PX 0.10342 -0.14284 0.01527 0.00000 0.04817 35 3PY -0.01230 0.02098 0.01030 -0.00000 -0.01842 36 3PZ 0.00000 -0.00000 0.00000 0.00483 0.00000 37 4S 0.01252 -0.06014 0.00233 0.00000 0.00173 38 4PX 0.05621 -0.09685 0.00565 -0.00000 0.02320 39 4PY -0.00955 0.01826 -0.00160 0.00000 -0.01402 40 4PZ 0.00000 -0.00000 0.00000 -0.00890 0.00000 41 5S -0.08534 0.01879 0.01961 0.00000 -0.05382 42 5PX -0.02308 -0.00791 0.00970 -0.00000 -0.01606 43 5PY 0.00239 -0.00556 -0.00127 0.00000 0.00065 44 5PZ -0.00000 -0.00000 0.00000 -0.00461 -0.00000 45 6D 0 -0.00383 0.00337 -0.00089 -0.00000 -0.00238 46 6D+1 0.00000 -0.00000 -0.00000 0.00391 0.00000 47 6D-1 0.00000 -0.00000 0.00000 -0.00091 0.00000 48 6D+2 0.00633 -0.00556 0.00071 0.00000 0.00324 49 6D-2 -0.00091 0.00119 0.00362 -0.00000 -0.00015 50 7D 0 -0.00547 0.00551 -0.00236 -0.00000 -0.00345 51 7D+1 0.00000 0.00000 -0.00000 0.01305 0.00000 52 7D-1 0.00000 -0.00000 0.00000 -0.00418 0.00000 53 7D+2 0.00916 -0.00441 -0.00047 0.00000 0.00504 54 7D-2 -0.00312 0.00410 0.01240 -0.00000 -0.00101 55 3 S 1S -0.00142 0.00112 0.00081 0.00000 -0.00174 56 2S -0.00405 0.00320 0.00227 0.00000 -0.00495 57 3S 0.00891 -0.00711 -0.00524 -0.00000 0.01022 58 4S 0.01568 -0.01214 -0.00958 -0.00000 0.01615 59 5S -0.03032 0.02241 0.02345 0.00000 -0.02474 60 6S -0.02814 0.03287 0.02071 0.00000 -0.02738 61 7S 0.00340 -0.01663 0.01229 0.00000 -0.00081 62 7PX 0.00521 -0.00567 0.00124 0.00000 0.00298 63 7PY 0.00186 -0.00796 0.00154 -0.00000 -0.00074 64 7PZ 0.00000 -0.00000 0.00000 0.00113 0.00000 65 8PX 0.00548 -0.00306 -0.00111 0.00000 0.00220 66 8PY 0.00165 -0.00287 -0.00058 -0.00000 -0.00440 67 8PZ 0.00000 0.00000 -0.00000 0.00271 0.00000 68 9PX 0.01053 -0.00581 -0.00212 0.00000 0.00426 69 9PY 0.00315 -0.00541 -0.00113 -0.00000 -0.00832 70 9PZ 0.00000 0.00000 -0.00000 0.00514 0.00000 71 10PX -0.01670 0.01078 0.00474 -0.00000 -0.00925 72 10PY -0.00392 0.00826 0.00288 0.00000 0.00880 73 10PZ -0.00000 -0.00000 0.00000 -0.00774 -0.00000 74 11PX -0.02540 0.01679 0.00900 -0.00000 -0.01347 75 11PY -0.00759 0.01918 0.00347 0.00000 0.01698 76 11PZ -0.00000 -0.00000 0.00000 -0.01510 -0.00000 77 12PX -0.01555 0.01825 0.00912 0.00000 -0.00886 78 12PY 0.00104 0.00798 0.00745 0.00000 0.00929 79 12PZ -0.00000 0.00000 0.00000 -0.00853 -0.00000 80 13D 0 -0.00099 0.00168 0.00097 -0.00000 -0.00109 81 13D+1 0.00000 -0.00000 -0.00000 0.00086 0.00000 82 13D-1 0.00000 -0.00000 -0.00000 -0.00047 0.00000 83 13D+2 0.00524 -0.00605 -0.00147 -0.00000 0.00234 84 13D-2 -0.00026 -0.00260 -0.00032 -0.00000 0.00003 85 14D 0 -0.00098 0.00107 0.00329 -0.00000 -0.00149 86 14D+1 0.00000 -0.00000 0.00000 0.00329 0.00000 87 14D-1 0.00000 -0.00000 -0.00000 -0.00095 0.00000 88 14D+2 0.00968 -0.01021 -0.00199 0.00000 0.00379 89 14D-2 0.00176 -0.00792 -0.00030 -0.00000 0.00113 90 4 H 1S 0.01327 -0.01089 -0.00389 -0.00000 0.00841 91 2S 0.02740 -0.02743 -0.00696 -0.00000 0.01766 92 3S 0.01418 -0.01687 -0.00760 -0.00000 0.00892 93 4PX 0.00237 -0.00218 0.00036 -0.00000 0.00163 94 4PY -0.00089 0.00198 0.00042 0.00000 0.00005 95 4PZ 0.00000 -0.00000 0.00000 -0.00072 0.00000 96 5 H 1S -0.01416 0.01133 -0.00410 -0.00576 -0.01174 97 2S -0.02139 0.01782 -0.00751 -0.00739 -0.01687 98 3S -0.00721 0.01336 -0.01158 -0.01816 -0.00589 99 4PX 0.00281 -0.00523 0.00054 0.00007 0.00095 100 4PY 0.00039 0.00064 0.00042 -0.00014 -0.00001 101 4PZ 0.00177 -0.00095 0.00007 -0.00024 0.00154 102 6 H 1S -0.01416 0.01133 -0.00410 0.00576 -0.01174 103 2S -0.02139 0.01782 -0.00751 0.00739 -0.01687 104 3S -0.00721 0.01336 -0.01158 0.01816 -0.00589 105 4PX 0.00281 -0.00523 0.00054 -0.00007 0.00095 106 4PY 0.00039 0.00064 0.00042 0.00014 -0.00001 107 4PZ -0.00177 0.00095 -0.00007 -0.00024 -0.00154 108 7 H 1S 0.07536 0.04118 0.09551 0.00000 0.04698 109 2S 0.08929 0.05794 0.14079 0.00000 0.05659 110 3S -0.00398 0.02215 0.05802 0.00000 -0.00051 111 4PX -0.00603 0.00323 -0.00766 0.00000 -0.00323 112 4PY -0.01329 -0.00591 -0.00871 -0.00000 -0.00841 113 4PZ -0.00000 0.00000 -0.00000 0.00716 -0.00000 114 8 H 1S 0.07556 0.03177 -0.05130 0.08582 0.04859 115 2S 0.09219 0.04371 -0.07420 0.12394 0.05983 116 3S -0.00463 0.01400 -0.02604 0.04968 -0.00197 117 4PX -0.00482 0.00475 0.00304 -0.00518 -0.00252 118 4PY 0.00754 0.00244 0.00243 0.00756 0.00468 119 4PZ -0.01213 -0.00410 0.00737 -0.00542 -0.00781 120 9 H 1S 0.07556 0.03177 -0.05130 -0.08582 0.04859 121 2S 0.09219 0.04371 -0.07420 -0.12394 0.05983 122 3S -0.00463 0.01400 -0.02604 -0.04968 -0.00197 123 4PX -0.00482 0.00475 0.00304 0.00518 -0.00252 124 4PY 0.00754 0.00244 0.00243 -0.00756 0.00468 125 4PZ 0.01213 0.00410 -0.00737 -0.00542 0.00781 11 12 13 14 15 11 4PX 0.07028 12 4PY -0.00280 0.07821 13 4PZ 0.00000 -0.00000 0.08208 14 5S 0.01162 -0.01918 0.00000 0.11542 15 5PX 0.00185 0.00557 0.00000 -0.02974 0.00829 16 5PY 0.00070 0.00990 -0.00000 -0.00188 0.00076 17 5PZ 0.00000 0.00000 0.00981 -0.00000 0.00000 18 6D 0 0.00255 -0.00432 -0.00000 0.00129 -0.00025 19 6D+1 -0.00000 -0.00000 0.00320 0.00000 -0.00000 20 6D-1 -0.00000 0.00000 -0.00491 -0.00000 0.00000 21 6D+2 -0.00481 -0.00143 -0.00000 -0.00022 -0.00025 22 6D-2 0.00070 0.00371 -0.00000 0.00035 0.00004 23 7D 0 0.00315 -0.00169 -0.00000 0.00175 -0.00031 24 7D+1 -0.00000 -0.00000 0.00286 0.00000 -0.00000 25 7D-1 -0.00000 0.00000 -0.00230 -0.00000 0.00000 26 7D+2 -0.00513 0.00039 -0.00000 0.00100 -0.00042 27 7D-2 0.00148 0.00202 -0.00000 0.00188 -0.00026 28 2 C 1S 0.01351 0.00091 0.00000 0.00164 -0.00103 29 2S 0.02157 0.00092 0.00000 0.00184 -0.00138 30 2PX -0.06265 0.00783 -0.00000 0.00160 -0.00494 31 2PY 0.01121 -0.00371 0.00000 -0.03905 0.00969 32 2PZ -0.00000 0.00000 -0.00215 0.00000 -0.00000 33 3S -0.06124 -0.00114 0.00000 -0.00537 0.00360 34 3PX -0.09258 0.01129 -0.00000 0.00073 -0.00681 35 3PY 0.01689 -0.00495 0.00000 -0.05979 0.01461 36 3PZ -0.00000 0.00000 -0.00208 0.00000 -0.00000 37 4S -0.03386 0.00091 0.00000 -0.01255 0.00429 38 4PX -0.06295 0.00367 -0.00000 0.00070 -0.00521 39 4PY 0.01454 -0.01023 0.00000 -0.03769 0.00925 40 4PZ -0.00000 0.00000 -0.01033 0.00000 -0.00000 41 5S 0.01167 0.00678 0.00000 -0.12965 0.03576 42 5PX -0.00582 0.00524 -0.00000 -0.02944 0.00717 43 5PY -0.00344 -0.00059 0.00000 0.01179 -0.00348 44 5PZ -0.00000 0.00000 -0.00391 -0.00000 0.00000 45 6D 0 0.00229 -0.00105 -0.00000 -0.00273 0.00082 46 6D+1 -0.00000 -0.00000 0.00294 -0.00000 0.00000 47 6D-1 -0.00000 0.00000 -0.00059 0.00000 -0.00000 48 6D+2 -0.00351 0.00045 0.00000 -0.00005 -0.00024 49 6D-2 0.00062 0.00286 -0.00000 0.00170 -0.00037 50 7D 0 0.00350 -0.00244 -0.00000 -0.00658 0.00171 51 7D+1 0.00000 -0.00000 0.00988 -0.00000 0.00000 52 7D-1 -0.00000 0.00000 -0.00185 0.00000 -0.00000 53 7D+2 -0.00264 -0.00061 0.00000 -0.00007 -0.00033 54 7D-2 0.00247 0.00932 -0.00000 0.00342 -0.00058 55 3 S 1S 0.00114 0.00092 0.00000 0.02120 -0.00574 56 2S 0.00326 0.00260 0.00000 0.06124 -0.01657 57 3S -0.00679 -0.00558 -0.00000 -0.12152 0.03289 58 4S -0.01065 -0.00939 -0.00000 -0.17355 0.04695 59 5S 0.01576 0.01898 0.00000 0.18926 -0.05145 60 6S 0.02291 0.01116 0.00000 0.10483 -0.02759 61 7S -0.01123 0.00883 0.00000 0.01160 -0.00407 62 7PX -0.00368 0.00108 0.00000 0.00201 -0.00094 63 7PY -0.00518 0.00046 -0.00000 -0.00068 -0.00041 64 7PZ -0.00000 0.00000 0.00245 0.00000 -0.00000 65 8PX -0.00148 -0.00076 0.00000 0.00610 -0.00277 66 8PY -0.00081 -0.00315 -0.00000 -0.01748 0.00352 67 8PZ 0.00000 -0.00000 0.00572 0.00000 0.00000 68 9PX -0.00282 -0.00147 0.00000 0.01198 -0.00539 69 9PY -0.00153 -0.00603 -0.00000 -0.03344 0.00675 70 9PZ 0.00000 -0.00000 0.01084 0.00000 0.00000 71 10PX 0.00654 0.00441 -0.00000 -0.02674 0.01091 72 10PY 0.00448 0.01019 0.00000 0.03489 -0.00727 73 10PZ -0.00000 0.00000 -0.01673 -0.00000 0.00000 74 11PX 0.01003 0.00859 -0.00000 -0.03516 0.01568 75 11PY 0.01056 0.01728 0.00000 0.05872 -0.01136 76 11PZ -0.00000 0.00000 -0.03342 -0.00000 -0.00000 77 12PX 0.01145 0.00611 -0.00000 -0.01576 0.00638 78 12PY 0.00401 0.01137 0.00000 0.02719 -0.00593 79 12PZ -0.00000 0.00000 -0.01976 -0.00000 -0.00000 80 13D 0 0.00105 0.00013 -0.00000 -0.00595 0.00168 81 13D+1 -0.00000 -0.00000 0.00064 -0.00000 -0.00000 82 13D-1 -0.00000 -0.00000 -0.00070 0.00000 -0.00000 83 13D+2 -0.00394 -0.00125 -0.00000 0.00397 -0.00185 84 13D-2 -0.00171 0.00024 -0.00000 -0.00107 0.00062 85 14D 0 0.00058 0.00145 -0.00000 -0.00858 0.00221 86 14D+1 -0.00000 -0.00000 0.00276 -0.00000 0.00000 87 14D-1 -0.00000 -0.00000 -0.00169 0.00000 -0.00000 88 14D+2 -0.00667 -0.00228 -0.00000 0.00186 -0.00188 89 14D-2 -0.00515 0.00072 -0.00000 0.00090 0.00016 90 4 H 1S -0.00674 -0.00152 -0.00000 0.04837 -0.01588 91 2S -0.01743 -0.00216 -0.00000 0.07457 -0.02495 92 3S -0.01099 -0.00491 -0.00000 0.00882 -0.00481 93 4PX -0.00138 0.00073 -0.00000 0.01175 -0.00363 94 4PY 0.00120 0.00055 0.00000 -0.00246 0.00097 95 4PZ -0.00000 0.00000 -0.00133 0.00000 -0.00000 96 5 H 1S 0.01035 -0.00705 -0.00624 -0.01819 0.00614 97 2S 0.01555 -0.01072 -0.00798 -0.02267 0.00797 98 3S 0.00936 -0.01049 -0.01160 -0.00448 0.00130 99 4PX -0.00322 0.00020 -0.00010 -0.00074 0.00001 100 4PY 0.00028 0.00003 0.00016 -0.00125 0.00014 101 4PZ -0.00109 0.00058 -0.00001 0.00215 -0.00079 102 6 H 1S 0.01035 -0.00705 0.00624 -0.01819 0.00614 103 2S 0.01555 -0.01072 0.00798 -0.02267 0.00797 104 3S 0.00936 -0.01049 0.01160 -0.00448 0.00130 105 4PX -0.00322 0.00020 0.00010 -0.00074 0.00001 106 4PY 0.00028 0.00003 -0.00016 -0.00125 0.00014 107 4PZ 0.00109 -0.00058 -0.00001 -0.00215 0.00079 108 7 H 1S 0.02763 0.06654 0.00000 0.00546 0.00212 109 2S 0.03844 0.09852 0.00000 0.00582 0.00348 110 3S 0.01338 0.04129 0.00000 -0.00895 0.00401 111 4PX 0.00202 -0.00539 0.00000 -0.00002 0.00001 112 4PY -0.00409 -0.00608 -0.00000 -0.00268 0.00018 113 4PZ 0.00000 -0.00000 0.00506 -0.00000 0.00000 114 8 H 1S 0.02299 -0.03615 0.06061 0.03025 -0.00585 115 2S 0.03139 -0.05247 0.08734 0.03912 -0.00766 116 3S 0.00946 -0.01901 0.03515 0.00087 0.00007 117 4PX 0.00296 0.00209 -0.00362 -0.00122 0.00049 118 4PY 0.00174 0.00163 0.00536 0.00124 -0.00012 119 4PZ -0.00302 0.00516 -0.00381 -0.00480 0.00095 120 9 H 1S 0.02299 -0.03615 -0.06061 0.03025 -0.00585 121 2S 0.03139 -0.05247 -0.08734 0.03912 -0.00766 122 3S 0.00946 -0.01901 -0.03515 0.00087 0.00007 123 4PX 0.00296 0.00209 0.00362 -0.00122 0.00049 124 4PY 0.00174 0.00163 -0.00536 0.00124 -0.00012 125 4PZ 0.00302 -0.00516 -0.00381 0.00480 -0.00095 16 17 18 19 20 16 5PY 0.00151 17 5PZ 0.00000 0.00135 18 6D 0 -0.00052 -0.00000 0.00033 19 6D+1 -0.00000 0.00041 0.00000 0.00021 20 6D-1 0.00000 -0.00055 -0.00000 -0.00022 0.00031 21 6D+2 -0.00024 -0.00000 -0.00010 0.00000 0.00000 22 6D-2 0.00058 -0.00000 -0.00018 -0.00000 0.00000 23 7D 0 -0.00015 -0.00000 0.00020 -0.00000 0.00000 24 7D+1 -0.00000 0.00050 -0.00000 0.00040 -0.00024 25 7D-1 0.00000 -0.00026 -0.00000 -0.00023 0.00019 26 7D+2 0.00011 -0.00000 -0.00024 -0.00000 0.00000 27 7D-2 0.00054 -0.00000 -0.00006 -0.00000 0.00000 28 2 C 1S 0.00044 -0.00000 0.00095 -0.00000 -0.00000 29 2S 0.00043 0.00000 0.00146 -0.00000 -0.00000 30 2PX -0.00024 -0.00000 -0.00234 0.00000 0.00000 31 2PY -0.00336 0.00000 0.00067 0.00000 -0.00000 32 2PZ -0.00000 -0.00156 0.00000 -0.00278 0.00084 33 3S -0.00034 0.00000 -0.00390 0.00000 0.00000 34 3PX -0.00045 -0.00000 -0.00346 0.00000 0.00000 35 3PY -0.00496 0.00000 0.00108 0.00000 -0.00000 36 3PZ -0.00000 -0.00210 0.00000 -0.00378 0.00108 37 4S 0.00070 0.00000 -0.00217 0.00000 0.00000 38 4PX -0.00147 -0.00000 -0.00210 0.00000 0.00000 39 4PY -0.00475 0.00000 0.00116 0.00000 -0.00000 40 4PZ -0.00000 -0.00264 0.00000 -0.00260 0.00112 41 5S 0.00112 0.00000 0.00005 -0.00000 -0.00000 42 5PX 0.00021 -0.00000 -0.00040 -0.00000 0.00000 43 5PY -0.00045 0.00000 -0.00012 0.00000 0.00000 44 5PZ 0.00000 -0.00070 0.00000 -0.00037 0.00026 45 6D 0 -0.00023 0.00000 0.00013 -0.00000 0.00000 46 6D+1 -0.00000 0.00040 0.00000 0.00021 -0.00020 47 6D-1 0.00000 -0.00002 -0.00000 -0.00020 0.00011 48 6D+2 -0.00000 0.00000 -0.00013 -0.00000 0.00000 49 6D-2 0.00047 -0.00000 -0.00014 -0.00000 0.00000 50 7D 0 -0.00050 0.00000 0.00031 -0.00000 0.00000 51 7D+1 -0.00000 0.00142 0.00000 0.00048 -0.00057 52 7D-1 0.00000 0.00028 -0.00000 -0.00012 0.00025 53 7D+2 -0.00015 0.00000 -0.00001 0.00000 0.00000 54 7D-2 0.00145 -0.00000 -0.00045 -0.00000 0.00000 55 3 S 1S -0.00036 -0.00000 -0.00007 -0.00000 0.00000 56 2S -0.00104 -0.00000 -0.00021 -0.00000 0.00000 57 3S 0.00213 0.00000 0.00045 0.00000 -0.00000 58 4S 0.00326 0.00000 0.00070 0.00000 -0.00000 59 5S -0.00449 -0.00000 -0.00108 -0.00000 0.00000 60 6S -0.00568 -0.00000 -0.00033 -0.00000 0.00000 61 7S 0.00009 0.00000 -0.00085 -0.00000 0.00000 62 7PX 0.00018 0.00000 -0.00014 0.00000 0.00000 63 7PY -0.00056 -0.00000 -0.00017 0.00000 0.00000 64 7PZ 0.00000 0.00103 0.00000 -0.00001 0.00006 65 8PX -0.00082 0.00000 0.00025 0.00000 -0.00000 66 8PY -0.00243 -0.00000 0.00025 0.00000 -0.00000 67 8PZ -0.00000 0.00285 0.00000 0.00001 0.00011 68 9PX -0.00156 0.00000 0.00048 0.00000 -0.00000 69 9PY -0.00462 -0.00000 0.00048 0.00000 -0.00000 70 9PZ -0.00000 0.00540 0.00000 0.00002 0.00022 71 10PX 0.00150 0.00000 -0.00054 -0.00000 0.00000 72 10PY 0.00549 0.00000 -0.00065 -0.00000 0.00000 73 10PZ 0.00000 -0.00692 -0.00000 -0.00005 -0.00037 74 11PX 0.00278 -0.00000 -0.00106 -0.00000 0.00000 75 11PY 0.01034 0.00000 -0.00107 -0.00000 0.00000 76 11PZ 0.00000 -0.01411 -0.00000 -0.00002 -0.00080 77 12PX 0.00094 -0.00000 -0.00017 -0.00000 0.00000 78 12PY 0.00460 0.00000 -0.00057 -0.00000 0.00000 79 12PZ 0.00000 -0.00854 -0.00000 0.00054 -0.00073 80 13D 0 -0.00014 -0.00000 0.00004 -0.00000 0.00000 81 13D+1 -0.00000 0.00010 0.00000 -0.00003 -0.00001 82 13D-1 0.00000 -0.00023 -0.00000 -0.00015 0.00006 83 13D+2 -0.00049 -0.00000 0.00003 -0.00000 0.00000 84 13D-2 0.00027 -0.00000 -0.00015 -0.00000 0.00000 85 14D 0 -0.00012 -0.00000 -0.00001 -0.00000 0.00000 86 14D+1 -0.00000 0.00053 0.00000 -0.00002 -0.00007 87 14D-1 0.00000 -0.00060 -0.00000 -0.00036 0.00012 88 14D+2 -0.00105 -0.00000 0.00008 -0.00000 0.00000 89 14D-2 0.00044 -0.00000 -0.00035 -0.00000 0.00000 90 4 H 1S -0.00087 -0.00000 0.00018 0.00000 -0.00000 91 2S -0.00081 -0.00000 0.00008 0.00000 -0.00000 92 3S -0.00043 -0.00000 0.00024 0.00000 -0.00000 93 4PX -0.00000 -0.00000 -0.00004 0.00000 0.00000 94 4PY 0.00034 0.00000 -0.00001 -0.00000 0.00000 95 4PZ 0.00000 -0.00053 -0.00000 0.00001 -0.00003 96 5 H 1S -0.00189 -0.00138 0.00037 -0.00219 0.00096 97 2S -0.00268 -0.00169 0.00059 -0.00326 0.00141 98 3S -0.00236 -0.00058 0.00090 -0.00184 0.00140 99 4PX -0.00010 -0.00006 -0.00013 -0.00013 0.00004 100 4PY -0.00015 0.00011 0.00006 0.00016 -0.00005 101 4PZ 0.00019 0.00005 -0.00000 0.00013 -0.00004 102 6 H 1S -0.00189 0.00138 0.00037 0.00219 -0.00096 103 2S -0.00268 0.00169 0.00059 0.00326 -0.00141 104 3S -0.00236 0.00058 0.00090 0.00184 -0.00140 105 4PX -0.00010 0.00006 -0.00013 0.00013 -0.00004 106 4PY -0.00015 -0.00011 0.00006 -0.00016 0.00005 107 4PZ -0.00019 0.00005 0.00000 0.00013 -0.00004 108 7 H 1S 0.00924 0.00000 -0.00274 -0.00000 0.00000 109 2S 0.01371 0.00000 -0.00416 -0.00000 0.00000 110 3S 0.00591 0.00000 -0.00180 -0.00000 0.00000 111 4PX -0.00068 0.00000 0.00037 0.00000 -0.00000 112 4PY -0.00091 -0.00000 0.00021 0.00000 -0.00000 113 4PZ -0.00000 0.00058 -0.00000 0.00020 -0.00031 114 8 H 1S -0.00395 0.00695 0.00268 0.00250 -0.00374 115 2S -0.00593 0.00993 0.00386 0.00361 -0.00541 116 3S -0.00251 0.00399 0.00137 0.00189 -0.00234 117 4PX 0.00031 -0.00040 -0.00001 -0.00015 0.00023 118 4PY 0.00025 0.00063 -0.00003 0.00020 -0.00032 119 4PZ 0.00055 -0.00043 -0.00037 -0.00014 0.00023 120 9 H 1S -0.00395 -0.00695 0.00268 -0.00250 0.00374 121 2S -0.00593 -0.00993 0.00386 -0.00361 0.00541 122 3S -0.00251 -0.00399 0.00137 -0.00189 0.00234 123 4PX 0.00031 0.00040 -0.00001 0.00015 -0.00023 124 4PY 0.00025 -0.00063 -0.00003 -0.00020 0.00032 125 4PZ -0.00055 -0.00043 0.00037 -0.00014 0.00023 21 22 23 24 25 21 6D+2 0.00038 22 6D-2 -0.00013 0.00027 23 7D 0 -0.00018 -0.00003 0.00024 24 7D+1 0.00000 -0.00000 0.00000 0.00114 25 7D-1 0.00000 0.00000 -0.00000 -0.00054 0.00031 26 7D+2 0.00040 0.00003 -0.00019 0.00000 0.00000 27 7D-2 -0.00016 0.00030 0.00005 0.00000 0.00000 28 2 C 1S -0.00150 0.00029 0.00034 -0.00000 0.00000 29 2S -0.00238 0.00047 0.00059 -0.00000 -0.00000 30 2PX 0.00397 -0.00058 -0.00380 -0.00000 0.00000 31 2PY -0.00062 -0.00236 0.00006 -0.00000 -0.00000 32 2PZ -0.00000 0.00000 0.00000 -0.00976 0.00442 33 3S 0.00658 -0.00131 -0.00185 0.00000 0.00000 34 3PX 0.00591 -0.00094 -0.00562 -0.00000 0.00000 35 3PY -0.00105 -0.00351 -0.00002 -0.00000 -0.00000 36 3PZ -0.00000 0.00000 0.00000 -0.01338 0.00602 37 4S 0.00365 -0.00070 -0.00066 0.00000 0.00000 38 4PX 0.00400 -0.00099 -0.00375 -0.00000 0.00000 39 4PY -0.00077 -0.00284 0.00016 -0.00000 -0.00000 40 4PZ 0.00000 0.00000 0.00000 -0.00839 0.00374 41 5S -0.00084 -0.00112 -0.00049 -0.00000 -0.00000 42 5PX 0.00018 -0.00018 -0.00068 -0.00000 0.00000 43 5PY 0.00025 0.00000 -0.00005 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -0.00096 0.00042 45 6D 0 -0.00013 -0.00013 0.00013 -0.00000 0.00000 46 6D+1 0.00000 -0.00000 -0.00000 0.00045 -0.00023 47 6D-1 0.00000 0.00000 -0.00000 -0.00059 0.00034 48 6D+2 0.00024 -0.00008 -0.00021 -0.00000 0.00000 49 6D-2 -0.00011 0.00024 0.00002 -0.00000 0.00000 50 7D 0 -0.00024 -0.00028 0.00012 0.00000 0.00000 51 7D+1 -0.00000 -0.00000 0.00000 0.00075 -0.00037 52 7D-1 0.00000 0.00000 -0.00000 -0.00003 0.00029 53 7D+2 0.00020 -0.00024 -0.00011 0.00000 0.00000 54 7D-2 -0.00033 0.00064 0.00012 -0.00000 0.00000 55 3 S 1S -0.00008 0.00014 0.00039 0.00000 -0.00000 56 2S -0.00024 0.00040 0.00118 0.00000 -0.00000 57 3S 0.00054 -0.00085 -0.00232 -0.00000 0.00000 58 4S 0.00091 -0.00141 -0.00296 -0.00000 0.00000 59 5S -0.00174 0.00247 0.00146 0.00000 -0.00000 60 6S -0.00220 0.00100 0.00020 -0.00000 -0.00000 61 7S 0.00043 0.00045 -0.00093 -0.00000 0.00000 62 7PX 0.00023 -0.00003 -0.00010 0.00000 0.00000 63 7PY 0.00027 -0.00018 -0.00044 -0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00003 0.00034 65 8PX 0.00012 -0.00061 0.00019 -0.00000 -0.00000 66 8PY 0.00006 -0.00092 -0.00072 -0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00024 0.00092 68 9PX 0.00023 -0.00117 0.00037 -0.00000 -0.00000 69 9PY 0.00011 -0.00175 -0.00137 -0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00046 0.00173 71 10PX -0.00043 0.00160 -0.00105 -0.00000 0.00000 72 10PY -0.00006 0.00248 0.00170 0.00000 -0.00000 73 10PZ -0.00000 -0.00000 -0.00000 -0.00062 -0.00203 74 11PX -0.00069 0.00291 -0.00167 -0.00000 0.00000 75 11PY -0.00027 0.00457 0.00317 0.00000 -0.00000 76 11PZ -0.00000 -0.00000 -0.00000 -0.00103 -0.00431 77 12PX -0.00093 0.00094 -0.00030 -0.00000 0.00000 78 12PY -0.00029 0.00203 0.00118 0.00000 -0.00000 79 12PZ -0.00000 -0.00000 -0.00000 0.00120 -0.00359 80 13D 0 -0.00011 -0.00007 -0.00014 -0.00000 0.00000 81 13D+1 0.00000 -0.00000 -0.00000 -0.00016 0.00009 82 13D-1 0.00000 0.00000 0.00000 -0.00050 0.00019 83 13D+2 0.00024 -0.00030 -0.00010 -0.00000 0.00000 84 13D-2 0.00015 0.00021 -0.00015 -0.00000 -0.00000 85 14D 0 -0.00014 -0.00011 -0.00025 -0.00000 0.00000 86 14D+1 0.00000 -0.00000 -0.00000 -0.00025 0.00020 87 14D-1 0.00000 0.00000 0.00000 -0.00122 0.00045 88 14D+2 0.00036 -0.00061 -0.00035 -0.00000 0.00000 89 14D-2 0.00041 0.00036 -0.00034 -0.00000 -0.00000 90 4 H 1S 0.00046 -0.00066 0.00113 0.00000 -0.00000 91 2S 0.00122 -0.00102 0.00160 0.00000 -0.00000 92 3S 0.00082 -0.00096 0.00037 0.00000 -0.00000 93 4PX 0.00008 0.00000 0.00022 0.00000 -0.00000 94 4PY -0.00008 0.00015 0.00002 0.00000 0.00000 95 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00018 96 5 H 1S -0.00005 -0.00127 0.00073 -0.00707 0.00341 97 2S -0.00017 -0.00166 0.00107 -0.01058 0.00520 98 3S -0.00047 -0.00096 0.00040 -0.00479 0.00301 99 4PX 0.00024 -0.00009 -0.00018 -0.00046 0.00021 100 4PY -0.00008 -0.00008 -0.00005 0.00057 -0.00025 101 4PZ -0.00003 0.00015 -0.00010 0.00048 -0.00022 102 6 H 1S -0.00005 -0.00127 0.00073 0.00707 -0.00341 103 2S -0.00017 -0.00166 0.00107 0.01058 -0.00520 104 3S -0.00047 -0.00096 0.00040 0.00479 -0.00301 105 4PX 0.00024 -0.00009 -0.00018 0.00046 -0.00021 106 4PY -0.00008 -0.00008 -0.00005 -0.00057 0.00025 107 4PZ 0.00003 -0.00015 0.00010 0.00048 -0.00022 108 7 H 1S -0.00312 0.00355 -0.00065 -0.00000 0.00000 109 2S -0.00446 0.00537 -0.00085 -0.00000 0.00000 110 3S -0.00180 0.00247 -0.00025 -0.00000 0.00000 111 4PX -0.00005 -0.00023 0.00023 0.00000 -0.00000 112 4PY 0.00037 -0.00035 0.00002 0.00000 -0.00000 113 4PZ -0.00000 -0.00000 -0.00000 0.00018 -0.00015 114 8 H 1S -0.00069 -0.00148 0.00121 0.00246 -0.00203 115 2S -0.00092 -0.00223 0.00177 0.00352 -0.00296 116 3S -0.00028 -0.00098 0.00078 0.00288 -0.00195 117 4PX -0.00026 0.00014 0.00013 -0.00013 0.00012 118 4PY -0.00014 0.00008 -0.00002 0.00016 -0.00014 119 4PZ 0.00008 0.00020 -0.00015 -0.00009 0.00009 120 9 H 1S -0.00069 -0.00148 0.00121 -0.00246 0.00203 121 2S -0.00092 -0.00223 0.00177 -0.00352 0.00296 122 3S -0.00028 -0.00098 0.00078 -0.00288 0.00195 123 4PX -0.00026 0.00014 0.00013 0.00013 -0.00012 124 4PY -0.00014 0.00008 -0.00002 -0.00016 0.00014 125 4PZ -0.00008 -0.00020 0.00015 -0.00009 0.00009 26 27 28 29 30 26 7D+2 0.00065 27 7D-2 0.00003 0.00052 28 2 C 1S -0.00477 0.00182 0.65799 29 2S -0.00609 0.00218 0.55897 0.48727 30 2PX 0.00333 -0.00143 -0.00061 -0.00108 0.08122 31 2PY -0.00283 -0.00521 -0.00411 -0.00556 -0.00755 32 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 33 3S 0.01234 -0.00380 -0.07799 -0.13737 0.00436 34 3PX 0.00496 -0.00231 -0.00267 -0.00400 0.11952 35 3PY -0.00468 -0.00770 0.00286 0.00227 -0.00796 36 3PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 37 4S 0.00709 -0.00197 -0.06847 -0.09762 -0.00272 38 4PX 0.00290 -0.00215 -0.00091 -0.00034 0.08089 39 4PY -0.00356 -0.00584 0.00323 0.00217 -0.00840 40 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 41 5S -0.00209 -0.00256 -0.01073 -0.01340 -0.02869 42 5PX -0.00039 -0.00070 0.00237 0.00326 0.00474 43 5PY 0.00034 -0.00007 -0.00172 -0.00204 0.00362 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00023 -0.00023 0.00002 -0.00013 -0.00301 46 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 48 6D+2 0.00019 -0.00016 -0.00040 -0.00062 0.00480 49 6D-2 0.00005 0.00030 0.00008 0.00032 -0.00080 50 7D 0 -0.00067 -0.00041 0.00527 0.00600 -0.00258 51 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 53 7D+2 0.00004 -0.00039 0.00002 -0.00004 0.00462 54 7D-2 0.00018 0.00066 -0.00232 -0.00248 -0.00413 55 3 S 1S 0.00012 -0.00017 -0.00014 -0.00017 -0.00089 56 2S 0.00037 -0.00052 -0.00038 -0.00045 -0.00252 57 3S -0.00069 0.00093 0.00068 0.00068 0.00536 58 4S -0.00080 0.00084 0.00093 0.00112 0.00945 59 5S -0.00032 0.00136 0.00018 0.00104 -0.01581 60 6S -0.00292 -0.00116 0.01224 0.01594 -0.01121 61 7S 0.00033 0.00010 0.00378 0.00540 0.01665 62 7PX 0.00025 -0.00008 -0.00074 -0.00075 0.00439 63 7PY -0.00008 -0.00050 0.00073 0.00166 0.00817 64 7PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 65 8PX -0.00056 -0.00112 0.00224 0.00348 0.00410 66 8PY -0.00168 -0.00160 0.00494 0.00768 0.00976 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX -0.00107 -0.00214 0.00429 0.00667 0.00783 69 9PY -0.00320 -0.00305 0.00938 0.01464 0.01857 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00082 0.00273 -0.00558 -0.00873 -0.01214 72 10PY 0.00353 0.00511 -0.01236 -0.01939 -0.02558 73 10PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 74 11PX 0.00172 0.00494 -0.00920 -0.01493 -0.01979 75 11PY 0.00646 0.00947 -0.02099 -0.03429 -0.04996 76 11PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 12PX -0.00056 0.00127 0.00156 0.00177 -0.01248 78 12PY 0.00219 0.00394 -0.00233 -0.00528 -0.01546 79 12PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 80 13D 0 -0.00033 -0.00018 0.00124 0.00196 0.00043 81 13D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 83 13D+2 -0.00011 -0.00050 0.00178 0.00288 0.00665 84 13D-2 0.00045 0.00041 -0.00185 -0.00296 0.00010 85 14D 0 -0.00052 -0.00035 0.00193 0.00342 0.00225 86 14D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 88 14D+2 -0.00048 -0.00106 0.00482 0.00746 0.01332 89 14D-2 0.00097 0.00068 -0.00347 -0.00566 0.00256 90 4 H 1S 0.00023 -0.00115 0.00214 0.00338 0.00795 91 2S 0.00109 -0.00160 0.00122 0.00248 0.01858 92 3S 0.00026 -0.00121 0.00232 0.00350 0.01295 93 4PX 0.00016 -0.00004 -0.00007 0.00001 0.00124 94 4PY 0.00008 0.00031 -0.00034 -0.00057 -0.00202 95 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 96 5 H 1S 0.00013 -0.00269 -0.01948 -0.03028 -0.02419 97 2S 0.00014 -0.00346 -0.03159 -0.04493 -0.03460 98 3S -0.00143 -0.00149 0.00577 0.00613 -0.00760 99 4PX 0.00024 -0.00022 -0.00226 -0.00289 0.00324 100 4PY -0.00033 -0.00016 0.00351 0.00450 0.00169 101 4PZ -0.00013 0.00035 0.00573 0.00724 0.00351 102 6 H 1S 0.00013 -0.00269 -0.01948 -0.03028 -0.02419 103 2S 0.00014 -0.00346 -0.03159 -0.04493 -0.03460 104 3S -0.00143 -0.00149 0.00577 0.00613 -0.00760 105 4PX 0.00024 -0.00022 -0.00226 -0.00289 0.00324 106 4PY -0.00033 -0.00016 0.00351 0.00450 0.00169 107 4PZ 0.00013 -0.00035 -0.00573 -0.00724 -0.00351 108 7 H 1S -0.00142 0.00253 0.00328 0.00542 -0.00675 109 2S -0.00173 0.00393 0.00143 0.00430 -0.01337 110 3S -0.00062 0.00218 0.00334 0.00535 -0.01081 111 4PX -0.00021 -0.00009 0.00097 0.00138 -0.00313 112 4PY 0.00017 -0.00028 0.00026 0.00002 0.00102 113 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 114 8 H 1S -0.00147 -0.00040 0.00259 0.00424 -0.00846 115 2S -0.00217 -0.00078 0.00397 0.00676 -0.01321 116 3S -0.00097 -0.00070 0.00199 0.00306 -0.00998 117 4PX -0.00022 0.00013 0.00066 0.00103 -0.00355 118 4PY -0.00012 0.00006 0.00030 0.00047 0.00011 119 4PZ 0.00017 0.00004 -0.00011 -0.00032 0.00075 120 9 H 1S -0.00147 -0.00040 0.00259 0.00424 -0.00846 121 2S -0.00217 -0.00078 0.00397 0.00676 -0.01321 122 3S -0.00097 -0.00070 0.00199 0.00306 -0.00998 123 4PX -0.00022 0.00013 0.00066 0.00103 -0.00355 124 4PY -0.00012 0.00006 0.00030 0.00047 0.00011 125 4PZ -0.00017 -0.00004 0.00011 0.00032 -0.00075 31 32 33 34 35 31 2PY 0.07075 32 2PZ -0.00000 0.09049 33 3S 0.01144 0.00000 0.41672 34 3PX -0.00880 0.00000 0.01179 0.17603 35 3PY 0.10568 -0.00000 -0.00071 -0.00846 0.15888 36 3PZ -0.00000 0.12418 0.00000 0.00000 -0.00000 37 4S 0.00629 0.00000 0.23439 -0.00082 -0.00081 38 4PX -0.00023 0.00000 -0.00140 0.11906 0.00309 39 4PY 0.07804 -0.00000 0.00180 -0.01002 0.11697 40 4PZ -0.00000 0.07487 -0.00000 0.00000 0.00000 41 5S 0.05613 0.00000 0.02809 -0.03949 0.08375 42 5PX 0.01154 0.00000 -0.00673 0.00731 0.01815 43 5PY -0.00281 -0.00000 0.00332 0.00514 -0.00450 44 5PZ 0.00000 0.00764 -0.00000 0.00000 0.00000 45 6D 0 0.00386 0.00000 0.00077 -0.00431 0.00565 46 6D+1 0.00000 -0.00328 0.00000 0.00000 0.00000 47 6D-1 -0.00000 0.00550 -0.00000 0.00000 -0.00000 48 6D+2 0.00060 0.00000 0.00165 0.00713 0.00106 49 6D-2 -0.00283 0.00000 -0.00146 -0.00130 -0.00425 50 7D 0 0.00700 -0.00000 -0.00936 -0.00367 0.01091 51 7D+1 0.00000 -0.00387 -0.00000 0.00000 0.00000 52 7D-1 -0.00000 0.00032 0.00000 0.00000 -0.00000 53 7D+2 0.00354 -0.00000 0.00027 0.00697 0.00557 54 7D-2 -0.00516 0.00000 0.00305 -0.00624 -0.00812 55 3 S 1S -0.00175 -0.00000 -0.00010 -0.00161 -0.00329 56 2S -0.00496 -0.00000 -0.00041 -0.00457 -0.00936 57 3S 0.01051 0.00000 0.00170 0.00968 0.01956 58 4S 0.01854 0.00000 0.00169 0.01667 0.03316 59 5S -0.03521 -0.00000 -0.01077 -0.02738 -0.05771 60 6S 0.00824 -0.00000 -0.03704 -0.01891 0.01019 61 7S -0.00564 0.00000 -0.01305 0.02391 -0.00761 62 7PX -0.00055 0.00000 0.00075 0.00649 -0.00066 63 7PY 0.00390 -0.00000 -0.00602 0.01200 0.00638 64 7PZ -0.00000 0.00134 0.00000 0.00000 -0.00000 65 8PX 0.00982 0.00000 -0.01020 0.00605 0.01485 66 8PY 0.02249 0.00000 -0.02146 0.01431 0.03439 67 8PZ 0.00000 0.00139 -0.00000 0.00000 0.00000 68 9PX 0.01874 0.00000 -0.01958 0.01156 0.02836 69 9PY 0.04288 0.00000 -0.04102 0.02725 0.06560 70 9PZ 0.00000 0.00256 -0.00000 0.00000 0.00000 71 10PX -0.02575 -0.00000 0.02499 -0.01840 -0.04013 72 10PY -0.06158 -0.00000 0.05253 -0.03876 -0.09595 73 10PZ -0.00000 -0.00511 0.00000 -0.00000 -0.00000 74 11PX -0.04839 -0.00000 0.04426 -0.03016 -0.07520 75 11PY -0.11310 -0.00000 0.09742 -0.07536 -0.17599 76 11PZ -0.00000 -0.01225 0.00000 -0.00000 -0.00000 77 12PX -0.00668 -0.00000 -0.00222 -0.01868 -0.01040 78 12PY -0.04622 0.00000 0.01933 -0.02377 -0.07087 79 12PZ 0.00000 -0.02468 -0.00000 -0.00000 0.00000 80 13D 0 0.00358 0.00000 -0.00522 0.00070 0.00569 81 13D+1 0.00000 0.00178 -0.00000 0.00000 0.00000 82 13D-1 -0.00000 0.00438 0.00000 -0.00000 -0.00000 83 13D+2 0.00351 0.00000 -0.00817 0.00979 0.00586 84 13D-2 -0.00555 0.00000 0.00840 0.00009 -0.00868 85 14D 0 0.00613 0.00000 -0.01032 0.00340 0.00984 86 14D+1 0.00000 0.00341 -0.00000 0.00000 0.00000 87 14D-1 -0.00000 0.01062 0.00000 -0.00000 -0.00000 88 14D+2 0.00936 0.00000 -0.02005 0.01963 0.01545 89 14D-2 -0.01055 0.00000 0.01630 0.00364 -0.01646 90 4 H 1S 0.00354 0.00000 -0.01083 0.01145 0.00548 91 2S 0.00048 0.00000 -0.01074 0.02701 0.00111 92 3S 0.00786 0.00000 -0.00939 0.01938 0.01292 93 4PX -0.00167 0.00000 -0.00074 0.00169 -0.00261 94 4PY -0.00264 0.00000 0.00175 -0.00299 -0.00405 95 4PZ 0.00000 -0.00085 -0.00000 0.00000 0.00000 96 5 H 1S 0.03535 0.06448 0.08030 -0.03358 0.04861 97 2S 0.04572 0.09710 0.10650 -0.04830 0.06252 98 3S 0.01970 0.04287 -0.00815 -0.01078 0.02955 99 4PX 0.00132 0.00424 0.00584 0.00488 0.00187 100 4PY 0.00241 -0.00530 -0.00910 0.00245 0.00411 101 4PZ -0.00447 -0.00446 -0.01418 0.00487 -0.00593 102 6 H 1S 0.03535 -0.06448 0.08030 -0.03358 0.04861 103 2S 0.04572 -0.09710 0.10650 -0.04830 0.06252 104 3S 0.01970 -0.04287 -0.00815 -0.01078 0.02955 105 4PX 0.00132 -0.00424 0.00584 0.00488 0.00187 106 4PY 0.00241 0.00530 -0.00910 0.00245 0.00411 107 4PZ 0.00447 -0.00446 0.01418 -0.00487 0.00593 108 7 H 1S -0.00213 -0.00000 -0.01699 -0.01008 -0.00240 109 2S -0.00652 -0.00000 -0.01984 -0.02000 -0.00909 110 3S -0.00861 -0.00000 -0.01498 -0.01639 -0.01256 111 4PX 0.00062 -0.00000 -0.00324 -0.00464 0.00092 112 4PY 0.00039 0.00000 0.00135 0.00150 0.00054 113 4PZ 0.00000 -0.00017 -0.00000 -0.00000 0.00000 114 8 H 1S 0.00247 -0.00523 -0.01309 -0.01227 0.00395 115 2S 0.00564 -0.00746 -0.02130 -0.01919 0.00884 116 3S 0.00779 -0.01694 -0.00826 -0.01454 0.01162 117 4PX 0.00040 0.00016 -0.00280 -0.00526 0.00057 118 4PY 0.00039 0.00007 -0.00140 0.00019 0.00067 119 4PZ 0.00000 -0.00031 0.00148 0.00107 -0.00003 120 9 H 1S 0.00247 0.00523 -0.01309 -0.01227 0.00395 121 2S 0.00564 0.00746 -0.02130 -0.01919 0.00884 122 3S 0.00779 0.01694 -0.00826 -0.01454 0.01162 123 4PX 0.00040 -0.00016 -0.00280 -0.00526 0.00057 124 4PY 0.00039 -0.00007 -0.00140 0.00019 0.00067 125 4PZ -0.00000 -0.00031 -0.00148 -0.00107 0.00003 36 37 38 39 40 36 3PZ 0.17045 37 4S 0.00000 0.14154 38 4PX 0.00000 -0.00848 0.08318 39 4PY -0.00000 -0.00269 0.00119 0.08818 40 4PZ 0.10279 -0.00000 0.00000 0.00000 0.06351 41 5S 0.00000 0.03236 -0.02991 0.05422 0.00000 42 5PX 0.00000 -0.00291 0.00587 0.01206 0.00000 43 5PY -0.00000 -0.00114 0.00480 -0.00193 -0.00000 44 5PZ 0.01049 -0.00000 0.00000 0.00000 0.00697 45 6D 0 0.00000 0.00069 -0.00262 0.00425 0.00000 46 6D+1 -0.00447 0.00000 0.00000 0.00000 -0.00302 47 6D-1 0.00749 -0.00000 0.00000 -0.00000 0.00433 48 6D+2 0.00000 0.00116 0.00460 0.00041 0.00000 49 6D-2 0.00000 -0.00071 -0.00116 -0.00329 0.00000 50 7D 0 -0.00000 -0.00497 -0.00177 0.00802 -0.00000 51 7D+1 -0.00528 -0.00000 0.00000 0.00000 -0.00460 52 7D-1 0.00021 0.00000 0.00000 -0.00000 -0.00058 53 7D+2 -0.00000 0.00166 0.00428 0.00330 -0.00000 54 7D-2 0.00000 0.00273 -0.00520 -0.00666 0.00000 55 3 S 1S -0.00000 -0.00381 0.00103 -0.00111 0.00000 56 2S -0.00000 -0.01110 0.00299 -0.00318 0.00000 57 3S 0.00000 0.02443 -0.00602 0.00601 -0.00000 58 4S 0.00000 0.03906 -0.00810 0.00930 -0.00000 59 5S -0.00000 -0.06928 0.00983 -0.01150 0.00000 60 6S -0.00000 -0.08301 0.01531 0.03476 0.00000 61 7S 0.00000 -0.01642 0.01961 -0.00315 0.00000 62 7PX 0.00000 0.00207 0.00378 -0.00133 -0.00000 63 7PY -0.00000 -0.00671 0.00992 0.00561 0.00000 64 7PZ 0.00156 0.00000 0.00000 -0.00000 -0.00069 65 8PX 0.00000 0.00209 0.00471 0.00730 0.00000 66 8PY 0.00000 -0.01168 0.01325 0.02481 0.00000 67 8PZ 0.00152 0.00000 0.00000 0.00000 -0.00237 68 9PX 0.00000 0.00383 0.00899 0.01401 0.00000 69 9PY 0.00000 -0.02250 0.02523 0.04738 0.00000 70 9PZ 0.00279 0.00000 0.00000 0.00000 -0.00455 71 10PX -0.00000 -0.00079 -0.01228 -0.02465 -0.00000 72 10PY -0.00000 0.04831 -0.03874 -0.07644 -0.00000 73 10PZ -0.00509 -0.00000 -0.00000 -0.00000 0.00795 74 11PX -0.00000 -0.00214 -0.02013 -0.04599 0.00000 75 11PY -0.00000 0.08772 -0.07443 -0.13974 -0.00000 76 11PZ -0.01299 -0.00000 0.00000 -0.00000 0.01433 77 12PX -0.00000 -0.01037 -0.01129 -0.00455 -0.00000 78 12PY 0.00000 0.02414 -0.02521 -0.05692 -0.00000 79 12PZ -0.03142 -0.00000 -0.00000 0.00000 -0.00496 80 13D 0 0.00000 -0.00405 0.00102 0.00438 0.00000 81 13D+1 0.00243 -0.00000 0.00000 0.00000 0.00130 82 13D-1 0.00604 0.00000 -0.00000 -0.00000 0.00385 83 13D+2 0.00000 -0.00407 0.00727 0.00399 0.00000 84 13D-2 0.00000 0.00362 -0.00042 -0.00602 0.00000 85 14D 0 0.00000 -0.00695 0.00313 0.00721 0.00000 86 14D+1 0.00461 -0.00000 0.00000 0.00000 0.00201 87 14D-1 0.01466 0.00000 -0.00000 -0.00000 0.00944 88 14D+2 0.00000 -0.01151 0.01498 0.01100 0.00000 89 14D-2 0.00000 0.00692 0.00171 -0.01139 0.00000 90 4 H 1S 0.00000 0.00290 0.00816 0.00194 0.00000 91 2S 0.00000 0.01241 0.01668 -0.00455 0.00000 92 3S 0.00000 0.00858 0.01033 0.00424 0.00000 93 4PX 0.00000 0.00072 0.00123 -0.00209 0.00000 94 4PY 0.00000 0.00151 -0.00272 -0.00323 -0.00000 95 4PZ -0.00102 0.00000 0.00000 -0.00000 0.00022 96 5 H 1S 0.08832 0.04615 -0.02166 0.03738 0.05324 97 2S 0.13293 0.06045 -0.03093 0.04873 0.07958 98 3S 0.05815 -0.00843 -0.00369 0.02420 0.03369 99 4PX 0.00581 0.00303 0.00336 0.00134 0.00347 100 4PY -0.00727 -0.00539 0.00213 0.00296 -0.00442 101 4PZ -0.00611 -0.00821 0.00326 -0.00458 -0.00364 102 6 H 1S -0.08832 0.04615 -0.02166 0.03738 -0.05324 103 2S -0.13293 0.06045 -0.03093 0.04873 -0.07958 104 3S -0.05815 -0.00843 -0.00369 0.02420 -0.03369 105 4PX -0.00581 0.00303 0.00336 0.00134 -0.00347 106 4PY 0.00727 -0.00539 0.00213 0.00296 0.00442 107 4PZ -0.00611 0.00821 -0.00326 0.00458 -0.00364 108 7 H 1S -0.00000 -0.01083 -0.01304 -0.00651 -0.00000 109 2S -0.00000 -0.01235 -0.02233 -0.01357 -0.00000 110 3S -0.00000 -0.00754 -0.01403 -0.01226 -0.00000 111 4PX -0.00000 -0.00174 -0.00264 0.00118 -0.00000 112 4PY 0.00000 0.00102 0.00186 0.00080 0.00000 113 4PZ -0.00017 -0.00000 -0.00000 0.00000 -0.00062 114 8 H 1S -0.00641 -0.01037 -0.00917 0.00637 -0.00994 115 2S -0.00908 -0.01587 -0.01337 0.01150 -0.01408 116 3S -0.02270 -0.00461 -0.00838 0.01025 -0.01674 117 4PX 0.00016 -0.00123 -0.00357 0.00030 0.00044 118 4PY 0.00016 -0.00094 -0.00021 0.00036 -0.00048 119 4PZ -0.00047 0.00131 0.00093 -0.00051 0.00011 120 9 H 1S 0.00641 -0.01037 -0.00917 0.00637 0.00994 121 2S 0.00908 -0.01587 -0.01337 0.01150 0.01408 122 3S 0.02270 -0.00461 -0.00838 0.01025 0.01674 123 4PX -0.00016 -0.00123 -0.00357 0.00030 -0.00044 124 4PY -0.00016 -0.00094 -0.00021 0.00036 0.00048 125 4PZ -0.00047 -0.00131 -0.00093 0.00051 0.00011 41 42 43 44 45 41 5S 0.16805 42 5PX 0.02994 0.00832 43 5PY -0.01716 -0.00235 0.00247 44 5PZ 0.00000 0.00000 -0.00000 0.00092 45 6D 0 0.00462 0.00059 -0.00034 0.00000 0.00031 46 6D+1 0.00000 0.00000 -0.00000 -0.00041 0.00000 47 6D-1 -0.00000 -0.00000 0.00000 0.00038 -0.00000 48 6D+2 -0.00067 0.00022 0.00001 0.00000 -0.00013 49 6D-2 -0.00262 -0.00053 0.00016 0.00000 -0.00015 50 7D 0 0.00904 0.00187 -0.00088 -0.00000 0.00048 51 7D+1 0.00000 0.00000 -0.00000 -0.00092 0.00000 52 7D-1 -0.00000 -0.00000 0.00000 -0.00029 -0.00000 53 7D+2 0.00117 0.00011 -0.00042 -0.00000 0.00002 54 7D-2 -0.00436 -0.00142 0.00023 0.00000 -0.00023 55 3 S 1S -0.02734 -0.00490 0.00372 -0.00000 -0.00014 56 2S -0.07891 -0.01416 0.01071 -0.00000 -0.00039 57 3S 0.15816 0.02776 -0.02172 0.00000 0.00084 58 4S 0.23016 0.03882 -0.03237 0.00000 0.00155 59 5S -0.27297 -0.03788 0.04186 -0.00000 -0.00336 60 6S -0.16734 -0.01558 0.03071 -0.00000 -0.00058 61 7S -0.02846 -0.00024 0.00473 0.00000 -0.00101 62 7PX -0.00250 -0.00052 -0.00006 -0.00000 -0.00019 63 7PY -0.00424 0.00148 0.00128 0.00000 -0.00009 64 7PZ -0.00000 -0.00000 -0.00000 -0.00060 0.00000 65 8PX -0.00457 -0.00117 0.00044 -0.00000 0.00027 66 8PY 0.00973 0.00838 0.00263 0.00000 0.00081 67 8PZ -0.00000 -0.00000 0.00000 -0.00148 0.00000 68 9PX -0.00910 -0.00232 0.00086 -0.00000 0.00051 69 9PY 0.01892 0.01594 0.00490 0.00000 0.00154 70 9PZ -0.00000 -0.00000 0.00000 -0.00281 0.00000 71 10PX 0.02162 0.00662 -0.00026 0.00000 -0.00062 72 10PY -0.02755 -0.01585 -0.00193 -0.00000 -0.00233 73 10PZ 0.00000 0.00000 -0.00000 0.00436 -0.00000 74 11PX 0.02365 0.00863 0.00079 0.00000 -0.00140 75 11PY -0.04054 -0.02859 -0.00550 -0.00000 -0.00410 76 11PZ 0.00000 0.00000 -0.00000 0.00866 -0.00000 77 12PX 0.01358 0.00428 -0.00010 0.00000 0.00014 78 12PY -0.02338 -0.01170 -0.00175 -0.00000 -0.00191 79 12PZ 0.00000 0.00000 -0.00000 0.00403 -0.00000 80 13D 0 0.00622 0.00187 -0.00042 0.00000 0.00020 81 13D+1 0.00000 0.00000 0.00000 0.00008 0.00000 82 13D-1 -0.00000 -0.00000 0.00000 0.00046 -0.00000 83 13D+2 -0.00591 -0.00036 0.00058 0.00000 -0.00008 84 13D-2 0.00017 0.00005 0.00007 0.00000 -0.00024 85 14D 0 0.00841 0.00286 -0.00057 0.00000 0.00026 86 14D+1 0.00000 0.00000 0.00000 -0.00004 0.00000 87 14D-1 -0.00000 -0.00000 0.00000 0.00116 -0.00000 88 14D+2 -0.00558 0.00113 0.00076 0.00000 -0.00001 89 14D-2 -0.00384 -0.00046 0.00062 0.00000 -0.00057 90 4 H 1S -0.05272 -0.01223 0.00432 -0.00000 -0.00050 91 2S -0.08004 -0.01949 0.00551 -0.00000 -0.00117 92 3S -0.00322 -0.00295 -0.00201 -0.00000 -0.00004 93 4PX -0.01371 -0.00299 0.00127 -0.00000 -0.00023 94 4PY 0.00362 0.00026 -0.00062 -0.00000 -0.00004 95 4PZ -0.00000 -0.00000 0.00000 0.00029 -0.00000 96 5 H 1S 0.03730 0.00252 -0.00149 0.00542 0.00267 97 2S 0.04792 0.00293 -0.00167 0.00793 0.00357 98 3S 0.00836 0.00205 0.00045 0.00298 0.00127 99 4PX 0.00015 0.00035 0.00019 0.00035 -0.00003 100 4PY 0.00064 0.00072 -0.00006 -0.00046 0.00006 101 4PZ -0.00485 -0.00017 0.00014 -0.00036 -0.00035 102 6 H 1S 0.03730 0.00252 -0.00149 -0.00542 0.00267 103 2S 0.04792 0.00293 -0.00167 -0.00793 0.00357 104 3S 0.00836 0.00205 0.00045 -0.00298 0.00127 105 4PX 0.00015 0.00035 0.00019 -0.00035 -0.00003 106 4PY 0.00064 0.00072 -0.00006 0.00046 0.00006 107 4PZ 0.00485 0.00017 -0.00014 -0.00036 0.00035 108 7 H 1S -0.00520 -0.00218 -0.00149 -0.00000 -0.00074 109 2S -0.00679 -0.00292 -0.00191 -0.00000 -0.00109 110 3S 0.00622 0.00151 -0.00136 0.00000 -0.00043 111 4PX 0.00124 -0.00008 -0.00011 -0.00000 0.00018 112 4PY 0.00198 0.00085 0.00014 0.00000 0.00009 113 4PZ 0.00000 -0.00000 0.00000 -0.00023 -0.00000 114 8 H 1S -0.01663 -0.00847 -0.00030 -0.00292 0.00038 115 2S -0.02031 -0.01089 -0.00043 -0.00413 0.00073 116 3S 0.00597 -0.00049 -0.00066 -0.00266 0.00085 117 4PX 0.00190 0.00015 -0.00023 0.00015 0.00012 118 4PY -0.00071 -0.00033 -0.00011 -0.00023 -0.00002 119 4PZ 0.00294 0.00133 0.00002 0.00013 -0.00002 120 9 H 1S -0.01663 -0.00847 -0.00030 0.00292 0.00038 121 2S -0.02031 -0.01089 -0.00043 0.00413 0.00073 122 3S 0.00597 -0.00049 -0.00066 0.00266 0.00085 123 4PX 0.00190 0.00015 -0.00023 -0.00015 0.00012 124 4PY -0.00071 -0.00033 -0.00011 0.00023 -0.00002 125 4PZ -0.00294 -0.00133 -0.00002 0.00013 0.00002 46 47 48 49 50 46 6D+1 0.00022 47 6D-1 -0.00021 0.00044 48 6D+2 0.00000 0.00000 0.00036 49 6D-2 -0.00000 0.00000 -0.00009 0.00025 50 7D 0 0.00000 0.00000 -0.00009 -0.00034 0.00119 51 7D+1 0.00049 -0.00014 0.00000 -0.00000 0.00000 52 7D-1 -0.00006 0.00043 0.00000 0.00000 -0.00000 53 7D+2 0.00000 0.00000 0.00053 -0.00022 0.00025 54 7D-2 -0.00000 0.00000 -0.00026 0.00065 -0.00088 55 3 S 1S -0.00000 0.00000 -0.00029 0.00026 -0.00111 56 2S -0.00000 0.00000 -0.00083 0.00072 -0.00323 57 3S 0.00000 -0.00000 0.00178 -0.00152 0.00653 58 4S 0.00000 -0.00000 0.00309 -0.00261 0.00954 59 5S -0.00000 0.00000 -0.00577 0.00495 -0.01113 60 6S -0.00000 0.00000 -0.00513 0.00178 -0.00349 61 7S -0.00000 0.00000 0.00022 0.00044 -0.00134 62 7PX 0.00000 0.00000 0.00044 0.00002 -0.00024 63 7PY 0.00000 0.00000 0.00029 -0.00023 0.00026 64 7PZ 0.00007 0.00067 0.00000 0.00000 0.00000 65 8PX 0.00000 -0.00000 0.00095 -0.00013 0.00020 66 8PY 0.00000 -0.00000 0.00034 -0.00115 0.00225 67 8PZ 0.00025 0.00155 0.00000 0.00000 0.00000 68 9PX 0.00000 -0.00000 0.00182 -0.00025 0.00040 69 9PY 0.00000 -0.00000 0.00065 -0.00220 0.00432 70 9PZ 0.00047 0.00292 0.00000 0.00000 0.00000 71 10PX -0.00000 0.00000 -0.00268 0.00065 -0.00173 72 10PY -0.00000 0.00000 -0.00098 0.00324 -0.00727 73 10PZ -0.00060 -0.00424 -0.00000 -0.00000 -0.00000 74 11PX -0.00000 0.00000 -0.00460 0.00138 -0.00364 75 11PY -0.00000 0.00000 -0.00195 0.00582 -0.01283 76 11PZ -0.00114 -0.00876 -0.00000 -0.00000 -0.00000 77 12PX -0.00000 -0.00000 -0.00182 0.00037 0.00009 78 12PY -0.00000 0.00000 -0.00051 0.00254 -0.00510 79 12PZ -0.00007 -0.00660 -0.00000 -0.00000 -0.00000 80 13D 0 -0.00000 0.00000 -0.00005 -0.00020 0.00062 81 13D+1 -0.00004 0.00014 0.00000 -0.00000 0.00000 82 13D-1 -0.00018 0.00021 0.00000 0.00000 -0.00000 83 13D+2 -0.00000 0.00000 0.00055 -0.00018 0.00025 84 13D-2 -0.00000 -0.00000 -0.00018 0.00014 -0.00062 85 14D 0 -0.00000 0.00000 0.00008 -0.00028 0.00096 86 14D+1 -0.00001 0.00039 0.00000 -0.00000 0.00000 87 14D-1 -0.00044 0.00046 -0.00000 0.00000 -0.00000 88 14D+2 -0.00000 0.00000 0.00099 -0.00053 0.00099 89 14D-2 -0.00000 -0.00000 -0.00018 0.00028 -0.00136 90 4 H 1S 0.00000 0.00000 0.00165 0.00052 -0.00140 91 2S 0.00000 0.00000 0.00325 0.00087 -0.00277 92 3S 0.00000 -0.00000 0.00218 -0.00041 0.00057 93 4PX -0.00000 0.00000 0.00022 0.00025 -0.00062 94 4PY -0.00000 0.00000 -0.00015 0.00009 -0.00012 95 4PZ -0.00003 -0.00035 -0.00000 -0.00000 -0.00000 96 5 H 1S -0.00249 0.00418 -0.00075 -0.00142 0.00213 97 2S -0.00369 0.00646 -0.00125 -0.00185 0.00272 98 3S -0.00187 0.00379 -0.00048 -0.00099 0.00241 99 4PX -0.00015 0.00027 0.00022 -0.00011 -0.00009 100 4PY 0.00019 -0.00031 0.00011 -0.00010 0.00044 101 4PZ 0.00016 -0.00028 0.00011 0.00017 -0.00015 102 6 H 1S 0.00249 -0.00418 -0.00075 -0.00142 0.00213 103 2S 0.00369 -0.00646 -0.00125 -0.00185 0.00272 104 3S 0.00187 -0.00379 -0.00048 -0.00099 0.00241 105 4PX 0.00015 -0.00027 0.00022 -0.00011 -0.00009 106 4PY -0.00019 0.00031 0.00011 -0.00010 0.00044 107 4PZ 0.00016 -0.00028 -0.00011 -0.00017 0.00015 108 7 H 1S -0.00000 0.00000 0.00001 0.00262 -0.00183 109 2S -0.00000 0.00000 -0.00036 0.00407 -0.00306 110 3S -0.00000 0.00000 -0.00084 0.00198 -0.00116 111 4PX -0.00000 -0.00000 -0.00022 -0.00016 0.00037 112 4PY 0.00000 -0.00000 -0.00002 -0.00026 0.00024 113 4PZ 0.00018 -0.00006 0.00000 -0.00000 -0.00000 114 8 H 1S 0.00229 -0.00093 -0.00003 -0.00125 0.00113 115 2S 0.00329 -0.00141 -0.00018 -0.00187 0.00198 116 3S 0.00181 -0.00157 -0.00050 -0.00082 0.00167 117 4PX -0.00013 0.00006 -0.00022 0.00013 0.00014 118 4PY 0.00018 -0.00003 0.00006 0.00004 -0.00001 119 4PZ -0.00012 0.00002 -0.00003 0.00017 -0.00010 120 9 H 1S -0.00229 0.00093 -0.00003 -0.00125 0.00113 121 2S -0.00329 0.00141 -0.00018 -0.00187 0.00198 122 3S -0.00181 0.00157 -0.00050 -0.00082 0.00167 123 4PX 0.00013 -0.00006 -0.00022 0.00013 0.00014 124 4PY -0.00018 0.00003 0.00006 0.00004 -0.00001 125 4PZ -0.00012 0.00002 0.00003 -0.00017 0.00010 51 52 53 54 55 51 7D+1 0.00154 52 7D-1 0.00034 0.00162 53 7D+2 0.00000 -0.00000 0.00119 54 7D-2 -0.00000 0.00000 -0.00045 0.00206 55 3 S 1S -0.00000 0.00000 -0.00097 0.00080 0.36884 56 2S -0.00000 0.00000 -0.00279 0.00232 0.62163 57 3S 0.00000 -0.00000 0.00593 -0.00480 -0.12696 58 4S 0.00000 -0.00000 0.00955 -0.00737 -0.17218 59 5S -0.00000 0.00000 -0.01515 0.01033 0.03655 60 6S -0.00000 0.00000 -0.01429 0.00181 0.04107 61 7S -0.00000 0.00000 -0.00145 0.00016 0.00565 62 7PX 0.00000 0.00000 0.00088 0.00016 -0.00064 63 7PY 0.00000 -0.00000 -0.00004 -0.00098 0.00093 64 7PZ 0.00109 0.00230 0.00000 -0.00000 -0.00000 65 8PX 0.00000 -0.00000 0.00261 -0.00023 -0.00061 66 8PY 0.00000 -0.00000 -0.00003 -0.00266 0.00114 67 8PZ 0.00233 0.00537 0.00000 -0.00000 -0.00000 68 9PX 0.00000 -0.00000 0.00500 -0.00042 -0.00098 69 9PY 0.00000 -0.00000 -0.00003 -0.00511 0.00179 70 9PZ 0.00442 0.01016 0.00000 -0.00000 -0.00000 71 10PX -0.00000 0.00000 -0.00881 -0.00017 0.00144 72 10PY -0.00000 0.00000 -0.00081 0.00988 -0.00270 73 10PZ -0.00756 -0.01542 -0.00000 0.00000 0.00000 74 11PX -0.00000 0.00000 -0.01503 0.00054 0.00394 75 11PY -0.00000 0.00000 -0.00160 0.01753 -0.00679 76 11PZ -0.01513 -0.03136 -0.00000 0.00000 0.00000 77 12PX -0.00000 -0.00000 -0.00492 0.00017 0.00146 78 12PY -0.00000 0.00000 -0.00018 0.00735 -0.00093 79 12PZ -0.00877 -0.02001 -0.00000 0.00000 0.00000 80 13D 0 -0.00000 -0.00000 -0.00022 -0.00066 -0.00008 81 13D+1 0.00006 0.00014 0.00000 -0.00000 0.00000 82 13D-1 -0.00035 -0.00022 0.00000 0.00000 0.00000 83 13D+2 -0.00000 -0.00000 0.00119 -0.00055 0.00014 84 13D-2 -0.00000 -0.00000 -0.00084 0.00020 0.00000 85 14D 0 -0.00000 -0.00000 0.00000 -0.00090 -0.00039 86 14D+1 0.00048 0.00073 0.00000 -0.00000 -0.00000 87 14D-1 -0.00090 -0.00070 -0.00000 0.00000 0.00000 88 14D+2 -0.00000 -0.00000 0.00194 -0.00167 0.00002 89 14D-2 -0.00000 -0.00000 -0.00133 0.00042 0.00050 90 4 H 1S 0.00000 0.00000 0.00554 0.00258 0.00301 91 2S 0.00000 0.00000 0.00996 0.00428 0.00307 92 3S 0.00000 -0.00000 0.00617 -0.00014 -0.00500 93 4PX 0.00000 0.00000 0.00075 0.00085 0.00134 94 4PY -0.00000 0.00000 -0.00033 0.00023 -0.00062 95 4PZ -0.00056 -0.00116 -0.00000 0.00000 0.00000 96 5 H 1S -0.00299 0.00124 0.00029 -0.00104 -0.00047 97 2S -0.00408 0.00253 -0.00014 -0.00136 0.00013 98 3S -0.00149 0.00480 -0.00017 -0.00249 0.00182 99 4PX -0.00016 0.00006 0.00024 -0.00024 0.00003 100 4PY 0.00025 0.00003 0.00025 -0.00039 -0.00009 101 4PZ 0.00016 -0.00006 0.00000 0.00000 -0.00003 102 6 H 1S 0.00299 -0.00124 0.00029 -0.00104 -0.00047 103 2S 0.00408 -0.00253 -0.00014 -0.00136 0.00013 104 3S 0.00149 -0.00480 -0.00017 -0.00249 0.00182 105 4PX 0.00016 -0.00006 0.00024 -0.00024 0.00003 106 4PY -0.00025 -0.00003 0.00025 -0.00039 -0.00009 107 4PZ 0.00016 -0.00006 -0.00000 -0.00000 0.00003 108 7 H 1S -0.00000 0.00000 -0.00022 0.00856 0.00087 109 2S -0.00000 0.00000 -0.00106 0.01324 0.00207 110 3S -0.00000 0.00000 -0.00188 0.00598 -0.00016 111 4PX 0.00000 -0.00000 -0.00018 -0.00054 -0.00005 112 4PY 0.00000 -0.00000 -0.00007 -0.00085 -0.00017 113 4PZ 0.00059 -0.00018 0.00000 -0.00000 -0.00000 114 8 H 1S 0.00705 -0.00244 0.00125 -0.00410 -0.00046 115 2S 0.01007 -0.00378 0.00165 -0.00605 -0.00057 116 3S 0.00437 -0.00220 0.00007 -0.00234 -0.00062 117 4PX -0.00040 0.00019 -0.00024 0.00044 0.00004 118 4PY 0.00062 -0.00015 0.00015 0.00015 -0.00011 119 4PZ -0.00042 0.00014 -0.00021 0.00058 0.00007 120 9 H 1S -0.00705 0.00244 0.00125 -0.00410 -0.00046 121 2S -0.01007 0.00378 0.00165 -0.00605 -0.00057 122 3S -0.00437 0.00220 0.00007 -0.00234 -0.00062 123 4PX 0.00040 -0.00019 -0.00024 0.00044 0.00004 124 4PY -0.00062 0.00015 0.00015 0.00015 -0.00011 125 4PZ -0.00042 0.00014 0.00021 -0.00058 -0.00007 56 57 58 59 60 56 2S 1.08220 57 3S -0.35630 0.63358 58 4S -0.46150 0.77791 0.98013 59 5S 0.10482 -0.24166 -0.43758 0.91879 60 6S 0.11745 -0.25000 -0.40731 0.68480 0.58761 61 7S 0.01627 -0.03434 -0.05449 0.08641 0.07497 62 7PX -0.00184 0.00382 0.00593 -0.00835 -0.01206 63 7PY 0.00265 -0.00605 -0.01071 0.02213 0.02393 64 7PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 65 8PX -0.00172 0.00370 0.00633 -0.01078 -0.02721 66 8PY 0.00321 -0.00697 -0.01123 0.02157 0.03594 67 8PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 68 9PX -0.00286 0.00654 0.01137 -0.02008 -0.05149 69 9PY 0.00526 -0.01223 -0.02004 0.04026 0.06804 70 9PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 71 10PX 0.00412 -0.00915 -0.01642 0.02941 0.06923 72 10PY -0.00781 0.01772 0.02937 -0.05483 -0.11462 73 10PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 74 11PX 0.01136 -0.02501 -0.04307 0.07469 0.13241 75 11PY -0.01956 0.04320 0.07009 -0.12367 -0.22246 76 11PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 77 12PX 0.00418 -0.00937 -0.01656 0.03148 0.05421 78 12PY -0.00261 0.00747 0.01602 -0.04482 -0.08613 79 12PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 80 13D 0 -0.00024 0.00071 0.00170 -0.00500 0.00366 81 13D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 82 13D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 83 13D+2 0.00040 -0.00092 -0.00150 0.00335 -0.00089 84 13D-2 0.00001 -0.00007 -0.00039 0.00112 0.00262 85 14D 0 -0.00106 0.00222 0.00399 -0.00778 0.00361 86 14D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 87 14D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 88 14D+2 0.00003 -0.00016 -0.00035 0.00266 0.00272 89 14D-2 0.00146 -0.00315 -0.00525 0.00830 0.00780 90 4 H 1S 0.00852 -0.01812 -0.02995 0.05497 -0.01104 91 2S 0.00884 -0.01831 -0.02828 0.04562 -0.05760 92 3S -0.01441 0.03034 0.04819 -0.07345 -0.09230 93 4PX 0.00390 -0.00820 -0.01272 0.01916 0.00385 94 4PY -0.00180 0.00386 0.00614 -0.01004 -0.00731 95 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 5 H 1S -0.00135 0.00302 0.00523 -0.01248 0.00163 97 2S 0.00043 -0.00061 0.00007 -0.00794 0.01036 98 3S 0.00525 -0.01083 -0.01608 0.02072 0.03264 99 4PX 0.00009 -0.00014 -0.00007 -0.00054 0.00009 100 4PY -0.00027 0.00054 0.00081 -0.00067 0.00160 101 4PZ -0.00009 0.00015 0.00011 0.00081 -0.00034 102 6 H 1S -0.00135 0.00302 0.00523 -0.01248 0.00163 103 2S 0.00043 -0.00061 0.00007 -0.00794 0.01036 104 3S 0.00525 -0.01083 -0.01608 0.02072 0.03264 105 4PX 0.00009 -0.00014 -0.00007 -0.00054 0.00009 106 4PY -0.00027 0.00054 0.00081 -0.00067 0.00160 107 4PZ 0.00009 -0.00015 -0.00011 -0.00081 0.00034 108 7 H 1S 0.00249 -0.00550 -0.00927 0.01835 0.01544 109 2S 0.00603 -0.01284 -0.02029 0.03330 0.02522 110 3S -0.00049 0.00043 -0.00118 0.01028 0.00758 111 4PX -0.00016 0.00034 0.00047 -0.00057 0.00036 112 4PY -0.00051 0.00105 0.00150 -0.00177 -0.00128 113 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 114 8 H 1S -0.00133 0.00287 0.00488 -0.00977 -0.00392 115 2S -0.00167 0.00366 0.00626 -0.01271 -0.00384 116 3S -0.00179 0.00360 0.00545 -0.00770 -0.00106 117 4PX 0.00012 -0.00028 -0.00050 0.00105 0.00094 118 4PY -0.00033 0.00067 0.00094 -0.00084 -0.00037 119 4PZ 0.00021 -0.00046 -0.00078 0.00155 0.00088 120 9 H 1S -0.00133 0.00287 0.00488 -0.00977 -0.00392 121 2S -0.00167 0.00366 0.00626 -0.01271 -0.00384 122 3S -0.00179 0.00360 0.00545 -0.00770 -0.00106 123 4PX 0.00012 -0.00028 -0.00050 0.00105 0.00094 124 4PY -0.00033 0.00067 0.00094 -0.00084 -0.00037 125 4PZ -0.00021 0.00046 0.00078 -0.00155 -0.00088 61 62 63 64 65 61 7S 0.01488 62 7PX -0.00078 0.00093 63 7PY 0.00491 -0.00025 0.00238 64 7PZ -0.00000 0.00000 -0.00000 0.00361 65 8PX -0.00432 0.00134 -0.00071 0.00000 0.29867 66 8PY 0.01098 -0.00071 0.00539 -0.00000 -0.00129 67 8PZ -0.00000 0.00000 -0.00000 0.00701 0.00000 68 9PX -0.00819 0.00261 -0.00135 0.00000 0.55966 69 9PY 0.02068 -0.00136 0.01023 -0.00000 -0.00242 70 9PZ -0.00000 0.00000 -0.00000 0.01330 0.00000 71 10PX 0.01090 -0.00801 0.00206 -0.00000 0.00970 72 10PY -0.01710 0.00354 -0.01344 0.00000 0.00406 73 10PZ 0.00000 -0.00000 0.00000 -0.02430 0.00000 74 11PX 0.02072 -0.01300 0.00364 -0.00000 -0.06854 75 11PY -0.03514 0.00591 -0.02550 0.00000 0.00366 76 11PZ 0.00000 -0.00000 0.00000 -0.04894 -0.00000 77 12PX 0.00684 -0.00469 0.00172 -0.00000 -0.01494 78 12PY -0.01204 0.00291 -0.00958 0.00000 0.00345 79 12PZ 0.00000 -0.00000 0.00000 -0.03136 -0.00000 80 13D 0 0.00069 -0.00054 0.00071 -0.00000 -0.00156 81 13D+1 0.00000 0.00000 0.00000 0.00027 0.00000 82 13D-1 -0.00000 0.00000 -0.00000 -0.00033 0.00000 83 13D+2 0.00080 0.00099 0.00078 -0.00000 0.00397 84 13D-2 0.00085 -0.00057 -0.00012 -0.00000 -0.00285 85 14D 0 0.00115 -0.00047 0.00117 -0.00000 -0.00120 86 14D+1 0.00000 0.00000 0.00000 0.00131 0.00000 87 14D-1 -0.00000 0.00000 -0.00000 -0.00103 -0.00000 88 14D+2 0.00245 0.00131 0.00222 -0.00000 0.00657 89 14D-2 0.00236 -0.00075 0.00004 -0.00000 -0.00677 90 4 H 1S -0.00278 0.00629 -0.00168 0.00000 0.02841 91 2S -0.00820 0.01131 -0.00417 0.00000 0.04634 92 3S -0.01161 0.00576 -0.00311 0.00000 0.02434 93 4PX 0.00039 0.00109 -0.00030 -0.00000 0.00472 94 4PY -0.00107 -0.00023 -0.00061 0.00000 -0.00154 95 4PZ 0.00000 -0.00000 0.00000 -0.00182 0.00000 96 5 H 1S -0.00926 -0.00144 -0.00141 0.00217 0.00094 97 2S -0.01170 -0.00235 -0.00182 0.00435 -0.00017 98 3S 0.00091 -0.00143 0.00205 0.00689 0.00047 99 4PX 0.00052 0.00016 0.00038 0.00014 0.00020 100 4PY 0.00059 0.00006 0.00054 -0.00001 0.00071 101 4PZ 0.00131 0.00019 0.00029 -0.00014 0.00002 102 6 H 1S -0.00926 -0.00144 -0.00141 -0.00217 0.00094 103 2S -0.01170 -0.00235 -0.00182 -0.00435 -0.00017 104 3S 0.00091 -0.00143 0.00205 -0.00689 0.00047 105 4PX 0.00052 0.00016 0.00038 -0.00014 0.00020 106 4PY 0.00059 0.00006 0.00054 0.00001 0.00071 107 4PZ -0.00131 -0.00019 -0.00029 -0.00014 -0.00002 108 7 H 1S 0.00391 0.00015 -0.00144 0.00000 -0.00227 109 2S 0.00593 -0.00001 -0.00251 -0.00000 -0.00485 110 3S 0.00248 -0.00071 -0.00148 -0.00000 -0.00463 111 4PX -0.00088 -0.00026 -0.00016 -0.00000 -0.00001 112 4PY -0.00012 -0.00003 0.00028 -0.00000 0.00025 113 4PZ -0.00000 -0.00000 -0.00000 0.00005 -0.00000 114 8 H 1S -0.00648 -0.00055 -0.00134 0.00016 0.00127 115 2S -0.00911 -0.00087 -0.00165 -0.00015 0.00200 116 3S -0.00399 -0.00074 -0.00042 -0.00123 0.00098 117 4PX -0.00042 -0.00018 -0.00030 0.00005 -0.00008 118 4PY -0.00007 0.00005 -0.00005 0.00011 0.00018 119 4PZ 0.00087 0.00004 0.00019 -0.00004 -0.00011 120 9 H 1S -0.00648 -0.00055 -0.00134 -0.00016 0.00127 121 2S -0.00911 -0.00087 -0.00165 0.00015 0.00200 122 3S -0.00399 -0.00074 -0.00042 0.00123 0.00098 123 4PX -0.00042 -0.00018 -0.00030 -0.00005 -0.00008 124 4PY -0.00007 0.00005 -0.00005 -0.00011 0.00018 125 4PZ -0.00087 -0.00004 -0.00019 -0.00004 0.00011 66 67 68 69 70 66 8PY 0.30054 67 8PZ -0.00000 0.30763 68 9PX -0.00240 0.00000 1.04873 69 9PY 0.56293 -0.00000 -0.00452 1.05444 70 9PZ -0.00000 0.57578 0.00000 -0.00000 1.07767 71 10PX 0.00401 -0.00000 0.01672 0.00766 -0.00000 72 10PY 0.00537 0.00000 0.00772 0.00869 0.00000 73 10PZ 0.00000 -0.01411 0.00000 0.00000 -0.02764 74 11PX 0.00362 -0.00000 -0.13071 0.00695 -0.00000 75 11PY -0.08366 0.00000 0.00695 -0.15906 0.00000 76 11PZ 0.00000 -0.12555 -0.00000 0.00000 -0.23735 77 12PX 0.00476 -0.00000 -0.02870 0.00909 -0.00000 78 12PY -0.02771 0.00000 0.00660 -0.05284 0.00000 79 12PZ 0.00000 -0.07309 -0.00000 0.00000 -0.13831 80 13D 0 0.00224 -0.00000 -0.00299 0.00429 -0.00000 81 13D+1 0.00000 0.00032 0.00000 0.00000 0.00061 82 13D-1 -0.00000 -0.00015 0.00000 -0.00000 -0.00031 83 13D+2 0.00070 -0.00000 0.00762 0.00135 -0.00000 84 13D-2 -0.00138 -0.00000 -0.00549 -0.00261 -0.00000 85 14D 0 0.00504 -0.00000 -0.00229 0.00959 -0.00000 86 14D+1 0.00000 0.00315 0.00000 0.00000 0.00595 87 14D-1 -0.00000 -0.00318 -0.00000 -0.00000 -0.00601 88 14D+2 0.00656 -0.00000 0.01254 0.01246 -0.00000 89 14D-2 -0.00271 -0.00000 -0.01289 -0.00515 -0.00000 90 4 H 1S -0.00851 0.00000 0.05437 -0.01631 0.00000 91 2S -0.01727 0.00000 0.08869 -0.03306 0.00000 92 3S -0.00690 0.00000 0.04641 -0.01311 0.00000 93 4PX -0.00222 -0.00000 0.00905 -0.00426 -0.00000 94 4PY -0.00096 0.00000 -0.00295 -0.00183 0.00000 95 4PZ -0.00000 -0.00424 0.00000 -0.00000 -0.00802 96 5 H 1S 0.00404 0.00401 0.00177 0.00769 0.00755 97 2S 0.00454 0.00819 -0.00035 0.00866 0.01544 98 3S 0.00902 0.01559 0.00090 0.01718 0.02947 99 4PX 0.00072 0.00031 0.00037 0.00136 0.00058 100 4PY 0.00191 0.00027 0.00136 0.00364 0.00051 101 4PZ -0.00014 -0.00023 0.00005 -0.00027 -0.00043 102 6 H 1S 0.00404 -0.00401 0.00177 0.00769 -0.00755 103 2S 0.00454 -0.00819 -0.00035 0.00866 -0.01544 104 3S 0.00902 -0.01559 0.00090 0.01718 -0.02947 105 4PX 0.00072 -0.00031 0.00037 0.00136 -0.00058 106 4PY 0.00191 -0.00027 0.00136 0.00364 -0.00051 107 4PZ 0.00014 -0.00023 -0.00005 0.00027 -0.00043 108 7 H 1S -0.00370 -0.00000 -0.00432 -0.00703 -0.00000 109 2S -0.00773 -0.00000 -0.00920 -0.01471 -0.00000 110 3S -0.00429 -0.00000 -0.00885 -0.00817 -0.00000 111 4PX 0.00026 0.00000 -0.00002 0.00050 0.00000 112 4PY 0.00067 -0.00000 0.00048 0.00127 -0.00000 113 4PZ 0.00000 0.00010 -0.00000 0.00000 0.00019 114 8 H 1S 0.00139 0.00049 0.00244 0.00267 0.00095 115 2S 0.00276 -0.00005 0.00385 0.00530 -0.00008 116 3S 0.00264 -0.00296 0.00188 0.00503 -0.00558 117 4PX -0.00029 0.00016 -0.00015 -0.00055 0.00030 118 4PY 0.00010 0.00028 0.00034 0.00019 0.00052 119 4PZ -0.00009 -0.00010 -0.00021 -0.00018 -0.00019 120 9 H 1S 0.00139 -0.00049 0.00244 0.00267 -0.00095 121 2S 0.00276 0.00005 0.00385 0.00530 0.00008 122 3S 0.00264 0.00296 0.00188 0.00503 0.00558 123 4PX -0.00029 -0.00016 -0.00015 -0.00055 -0.00030 124 4PY 0.00010 -0.00028 0.00034 0.00019 -0.00052 125 4PZ 0.00009 -0.00010 0.00021 0.00018 -0.00019 71 72 73 74 75 71 10PX 0.10627 72 10PY -0.01090 0.11802 73 10PZ 0.00000 -0.00000 0.16764 74 11PX 0.16541 -0.01508 0.00000 0.28199 75 11PY -0.01461 0.20256 -0.00000 -0.01825 0.37754 76 11PZ 0.00000 -0.00000 0.32661 0.00000 -0.00000 77 12PX 0.05168 -0.01403 0.00000 0.08584 -0.02292 78 12PY -0.01155 0.07991 -0.00000 -0.01664 0.14667 79 12PZ 0.00000 -0.00000 0.20932 0.00000 -0.00000 80 13D 0 0.00485 -0.00756 0.00000 0.00758 -0.01325 81 13D+1 -0.00000 -0.00000 -0.00174 -0.00000 -0.00000 82 13D-1 -0.00000 0.00000 0.00248 -0.00000 0.00000 83 13D+2 -0.01193 -0.00399 0.00000 -0.01989 -0.00809 84 13D-2 0.01007 0.00294 0.00000 0.01694 0.00602 85 14D 0 0.00367 -0.01123 0.00000 0.00534 -0.02047 86 14D+1 -0.00000 -0.00000 -0.00860 -0.00000 -0.00000 87 14D-1 0.00000 0.00000 0.00729 0.00000 0.00000 88 14D+2 -0.01666 -0.01421 0.00000 -0.02849 -0.02790 89 14D-2 0.01547 0.00542 0.00000 0.02701 0.01074 90 4 H 1S -0.07873 0.02410 -0.00000 -0.12928 0.03739 91 2S -0.13154 0.04991 -0.00000 -0.21643 0.08104 92 3S -0.06097 0.01985 -0.00000 -0.10420 0.03413 93 4PX -0.01327 0.00620 0.00000 -0.02134 0.00992 94 4PY 0.00436 0.00351 -0.00000 0.00715 0.00695 95 4PZ -0.00000 0.00000 0.01217 -0.00000 0.00000 96 5 H 1S -0.00225 -0.01200 -0.01178 -0.00584 -0.02106 97 2S 0.00080 -0.01633 -0.02497 -0.00119 -0.02833 98 3S 0.00007 -0.02490 -0.04432 -0.00096 -0.04578 99 4PX -0.00060 -0.00182 -0.00072 -0.00103 -0.00349 100 4PY -0.00192 -0.00447 -0.00015 -0.00345 -0.00839 101 4PZ -0.00002 0.00065 0.00074 0.00017 0.00107 102 6 H 1S -0.00225 -0.01200 0.01178 -0.00584 -0.02106 103 2S 0.00080 -0.01633 0.02497 -0.00119 -0.02833 104 3S 0.00007 -0.02490 0.04432 -0.00096 -0.04578 105 4PX -0.00060 -0.00182 0.00072 -0.00103 -0.00349 106 4PY -0.00192 -0.00447 0.00015 -0.00345 -0.00839 107 4PZ 0.00002 -0.00065 0.00074 -0.00017 -0.00107 108 7 H 1S 0.00665 0.01062 0.00000 0.01262 0.01957 109 2S 0.01236 0.02042 0.00000 0.02334 0.03767 110 3S 0.01331 0.01317 0.00000 0.02316 0.02460 111 4PX 0.00031 -0.00075 -0.00000 0.00033 -0.00121 112 4PY -0.00042 -0.00159 0.00000 -0.00093 -0.00299 113 4PZ 0.00000 -0.00000 -0.00036 0.00000 -0.00000 114 8 H 1S -0.00349 -0.00404 -0.00146 -0.00623 -0.00613 115 2S -0.00610 -0.00801 0.00052 -0.01088 -0.01298 116 3S -0.00231 -0.00682 0.00741 -0.00486 -0.01192 117 4PX 0.00050 0.00097 -0.00034 0.00078 0.00184 118 4PY -0.00033 -0.00017 -0.00076 -0.00057 -0.00027 119 4PZ 0.00048 0.00032 0.00024 0.00081 0.00041 120 9 H 1S -0.00349 -0.00404 0.00146 -0.00623 -0.00613 121 2S -0.00610 -0.00801 -0.00052 -0.01088 -0.01298 122 3S -0.00231 -0.00682 -0.00741 -0.00486 -0.01192 123 4PX 0.00050 0.00097 0.00034 0.00078 0.00184 124 4PY -0.00033 -0.00017 0.00076 -0.00057 -0.00027 125 4PZ -0.00048 -0.00032 0.00024 -0.00081 -0.00041 76 77 78 79 80 76 11PZ 0.66776 77 12PX 0.00000 0.02871 78 12PY -0.00000 -0.01152 0.05879 79 12PZ 0.42598 0.00000 -0.00000 0.27507 80 13D 0 0.00000 0.00312 -0.00535 0.00000 0.00083 81 13D+1 -0.00349 -0.00000 -0.00000 -0.00255 0.00000 82 13D-1 0.00471 -0.00000 0.00000 0.00219 -0.00000 83 13D+2 0.00000 -0.00612 -0.00211 0.00000 -0.00034 84 13D-2 0.00000 0.00444 0.00164 0.00000 0.00016 85 14D 0 0.00000 0.00288 -0.00785 0.00000 0.00110 86 14D+1 -0.01758 -0.00000 -0.00000 -0.01177 0.00000 87 14D-1 0.01477 -0.00000 0.00000 0.00737 -0.00000 88 14D+2 0.00000 -0.00807 -0.00908 0.00000 0.00017 89 14D-2 0.00000 0.00662 0.00316 0.00000 0.00007 90 4 H 1S -0.00000 -0.04128 0.01982 -0.00000 -0.00584 91 2S -0.00000 -0.07098 0.04031 -0.00000 -0.00999 92 3S -0.00000 -0.03431 0.01669 -0.00000 -0.00341 93 4PX 0.00000 -0.00701 0.00491 0.00000 -0.00124 94 4PY -0.00000 0.00195 0.00240 -0.00000 0.00009 95 4PZ 0.02475 -0.00000 0.00000 0.01587 0.00000 96 5 H 1S -0.02535 0.00051 -0.01389 -0.02821 0.00061 97 2S -0.05276 0.00281 -0.01889 -0.05174 0.00091 98 3S -0.09114 0.00290 -0.01890 -0.06606 0.00154 99 4PX -0.00157 -0.00061 -0.00149 -0.00178 0.00003 100 4PY -0.00025 -0.00051 -0.00281 0.00083 0.00028 101 4PZ 0.00160 -0.00012 0.00132 0.00185 -0.00000 102 6 H 1S 0.02535 0.00051 -0.01389 0.02821 0.00061 103 2S 0.05276 0.00281 -0.01889 0.05174 0.00091 104 3S 0.09114 0.00290 -0.01890 0.06606 0.00154 105 4PX 0.00157 -0.00061 -0.00149 0.00178 0.00003 106 4PY 0.00025 -0.00051 -0.00281 -0.00083 0.00028 107 4PZ 0.00160 0.00012 -0.00132 0.00185 0.00000 108 7 H 1S 0.00000 0.00873 0.01213 0.00000 0.00044 109 2S 0.00000 0.01397 0.02090 0.00000 0.00035 110 3S 0.00000 0.00995 0.01172 0.00000 0.00030 111 4PX -0.00000 0.00024 -0.00082 -0.00000 0.00007 112 4PY 0.00000 -0.00072 -0.00162 0.00000 0.00000 113 4PZ -0.00068 0.00000 -0.00000 -0.00033 -0.00000 114 8 H 1S -0.00249 -0.00245 -0.00355 0.00020 0.00007 115 2S 0.00172 -0.00374 -0.00680 0.00364 0.00021 116 3S 0.01576 -0.00059 -0.00589 0.01363 0.00042 117 4PX -0.00073 0.00077 0.00078 -0.00054 0.00003 118 4PY -0.00152 0.00001 0.00010 -0.00091 0.00004 119 4PZ 0.00048 0.00042 0.00031 0.00031 0.00001 120 9 H 1S 0.00249 -0.00245 -0.00355 -0.00020 0.00007 121 2S -0.00172 -0.00374 -0.00680 -0.00364 0.00021 122 3S -0.01576 -0.00059 -0.00589 -0.01363 0.00042 123 4PX 0.00073 0.00077 0.00078 0.00054 0.00003 124 4PY 0.00152 0.00001 0.00010 0.00091 0.00004 125 4PZ 0.00048 -0.00042 -0.00031 0.00031 -0.00001 81 82 83 84 85 81 13D+1 0.00005 82 13D-1 0.00006 0.00026 83 13D+2 0.00000 0.00000 0.00198 84 13D-2 -0.00000 0.00000 -0.00127 0.00127 85 14D 0 0.00000 0.00000 0.00000 -0.00013 0.00163 86 14D+1 0.00016 0.00002 0.00000 -0.00000 0.00000 87 14D-1 0.00013 0.00065 -0.00000 0.00000 -0.00000 88 14D+2 0.00000 0.00000 0.00330 -0.00212 0.00107 89 14D-2 -0.00000 0.00000 -0.00186 0.00213 -0.00046 90 4 H 1S 0.00000 0.00000 0.00945 -0.00716 -0.00591 91 2S 0.00000 0.00000 0.01546 -0.01137 -0.01023 92 3S 0.00000 0.00000 0.00697 -0.00541 -0.00290 93 4PX 0.00000 0.00000 0.00158 -0.00111 -0.00137 94 4PY -0.00000 0.00000 -0.00080 0.00055 -0.00005 95 4PZ -0.00014 0.00016 0.00000 0.00000 0.00000 96 5 H 1S 0.00131 0.00301 -0.00179 -0.00082 0.00027 97 2S 0.00205 0.00442 -0.00287 -0.00074 0.00033 98 3S 0.00116 0.00145 0.00047 -0.00123 0.00209 99 4PX 0.00009 0.00020 0.00024 0.00001 0.00009 100 4PY -0.00010 -0.00026 0.00051 -0.00042 0.00054 101 4PZ -0.00009 -0.00021 0.00035 0.00002 0.00010 102 6 H 1S -0.00131 -0.00301 -0.00179 -0.00082 0.00027 103 2S -0.00205 -0.00442 -0.00287 -0.00074 0.00033 104 3S -0.00116 -0.00145 0.00047 -0.00123 0.00209 105 4PX -0.00009 -0.00020 0.00024 0.00001 0.00009 106 4PY 0.00010 0.00026 0.00051 -0.00042 0.00054 107 4PZ -0.00009 -0.00021 -0.00035 -0.00002 -0.00010 108 7 H 1S -0.00000 -0.00000 -0.00216 -0.00016 0.00130 109 2S -0.00000 -0.00000 -0.00380 0.00024 0.00137 110 3S -0.00000 -0.00000 -0.00286 0.00103 0.00057 111 4PX -0.00000 -0.00000 -0.00010 -0.00005 -0.00002 112 4PY 0.00000 0.00000 0.00022 0.00003 -0.00004 113 4PZ 0.00003 -0.00003 -0.00000 -0.00000 -0.00000 114 8 H 1S 0.00030 -0.00053 0.00050 -0.00071 -0.00062 115 2S 0.00042 -0.00071 0.00088 -0.00124 -0.00068 116 3S -0.00017 -0.00086 0.00011 -0.00072 0.00030 117 4PX -0.00002 0.00002 -0.00029 -0.00006 0.00003 118 4PY 0.00004 -0.00003 0.00003 -0.00009 0.00009 119 4PZ -0.00003 0.00000 -0.00009 0.00007 0.00012 120 9 H 1S -0.00030 0.00053 0.00050 -0.00071 -0.00062 121 2S -0.00042 0.00071 0.00088 -0.00124 -0.00068 122 3S 0.00017 0.00086 0.00011 -0.00072 0.00030 123 4PX 0.00002 -0.00002 -0.00029 -0.00006 0.00003 124 4PY -0.00004 0.00003 0.00003 -0.00009 0.00009 125 4PZ -0.00003 0.00000 0.00009 -0.00007 -0.00012 86 87 88 89 90 86 14D+1 0.00062 87 14D-1 -0.00003 0.00165 88 14D+2 0.00000 -0.00000 0.00626 89 14D-2 -0.00000 0.00000 -0.00322 0.00376 90 4 H 1S 0.00000 0.00000 0.01154 -0.01027 0.07346 91 2S 0.00000 0.00000 0.01846 -0.01621 0.12033 92 3S 0.00000 0.00000 0.00929 -0.00853 0.04632 93 4PX 0.00000 0.00000 0.00170 -0.00144 0.01379 94 4PY -0.00000 0.00000 -0.00138 0.00077 -0.00389 95 4PZ -0.00067 0.00050 0.00000 0.00000 0.00000 96 5 H 1S 0.00272 0.00721 -0.00311 -0.00217 -0.00365 97 2S 0.00449 0.01049 -0.00493 -0.00233 -0.00713 98 3S 0.00344 0.00307 0.00225 -0.00251 -0.00324 99 4PX 0.00018 0.00047 0.00048 0.00012 0.00024 100 4PY -0.00018 -0.00065 0.00121 -0.00074 0.00065 101 4PZ -0.00020 -0.00050 0.00070 0.00011 0.00050 102 6 H 1S -0.00272 -0.00721 -0.00311 -0.00217 -0.00365 103 2S -0.00449 -0.01049 -0.00493 -0.00233 -0.00713 104 3S -0.00344 -0.00307 0.00225 -0.00251 -0.00324 105 4PX -0.00018 -0.00047 0.00048 0.00012 0.00024 106 4PY 0.00018 0.00065 0.00121 -0.00074 0.00065 107 4PZ -0.00020 -0.00050 -0.00070 -0.00011 -0.00050 108 7 H 1S -0.00000 -0.00000 -0.00363 -0.00054 -0.00407 109 2S -0.00000 -0.00000 -0.00681 0.00003 -0.00665 110 3S -0.00000 -0.00000 -0.00505 0.00134 -0.00891 111 4PX -0.00000 -0.00000 -0.00013 -0.00021 -0.00047 112 4PY 0.00000 0.00000 0.00042 0.00008 0.00013 113 4PZ 0.00014 -0.00008 -0.00000 -0.00000 -0.00000 114 8 H 1S 0.00137 -0.00116 0.00110 -0.00159 0.00148 115 2S 0.00185 -0.00153 0.00192 -0.00269 0.00261 116 3S -0.00011 -0.00193 0.00054 -0.00169 -0.00039 117 4PX -0.00007 0.00003 -0.00053 -0.00022 -0.00038 118 4PY 0.00017 -0.00007 0.00009 -0.00017 0.00009 119 4PZ -0.00012 0.00000 -0.00016 0.00016 -0.00026 120 9 H 1S -0.00137 0.00116 0.00110 -0.00159 0.00148 121 2S -0.00185 0.00153 0.00192 -0.00269 0.00261 122 3S 0.00011 0.00193 0.00054 -0.00169 -0.00039 123 4PX 0.00007 -0.00003 -0.00053 -0.00022 -0.00038 124 4PY -0.00017 0.00007 0.00009 -0.00017 0.00009 125 4PZ -0.00012 0.00000 0.00016 -0.00016 0.00026 91 92 93 94 95 91 2S 0.20045 92 3S 0.08141 0.04336 93 4PX 0.02238 0.00747 0.00276 94 4PY -0.00579 -0.00177 -0.00071 0.00045 95 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00092 96 5 H 1S -0.00864 -0.00251 -0.00143 -0.00030 -0.00121 97 2S -0.01576 -0.00623 -0.00220 -0.00030 -0.00237 98 3S -0.00919 -0.00468 -0.00108 -0.00090 -0.00354 99 4PX 0.00054 0.00043 0.00001 -0.00013 -0.00008 100 4PY 0.00078 0.00081 -0.00000 -0.00021 0.00001 101 4PZ 0.00113 0.00052 0.00016 0.00001 0.00008 102 6 H 1S -0.00864 -0.00251 -0.00143 -0.00030 0.00121 103 2S -0.01576 -0.00623 -0.00220 -0.00030 0.00237 104 3S -0.00919 -0.00468 -0.00108 -0.00090 0.00354 105 4PX 0.00054 0.00043 0.00001 -0.00013 0.00008 106 4PY 0.00078 0.00081 -0.00000 -0.00021 -0.00001 107 4PZ -0.00113 -0.00052 -0.00016 -0.00001 0.00008 108 7 H 1S -0.00794 -0.00810 0.00012 0.00098 0.00000 109 2S -0.01275 -0.01342 0.00027 0.00164 0.00000 110 3S -0.01505 -0.00950 -0.00091 0.00128 -0.00000 111 4PX -0.00105 -0.00026 -0.00016 0.00001 -0.00000 112 4PY 0.00034 0.00070 -0.00007 -0.00011 0.00000 113 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00003 114 8 H 1S 0.00150 0.00193 -0.00024 -0.00007 -0.00015 115 2S 0.00264 0.00310 -0.00032 -0.00024 -0.00001 116 3S -0.00181 0.00069 -0.00055 -0.00017 0.00061 117 4PX -0.00092 -0.00066 -0.00005 0.00009 -0.00002 118 4PY 0.00011 0.00008 0.00001 0.00001 -0.00006 119 4PZ -0.00036 -0.00033 0.00002 0.00000 0.00002 120 9 H 1S 0.00150 0.00193 -0.00024 -0.00007 0.00015 121 2S 0.00264 0.00310 -0.00032 -0.00024 0.00001 122 3S -0.00181 0.00069 -0.00055 -0.00017 -0.00061 123 4PX -0.00092 -0.00066 -0.00005 0.00009 0.00002 124 4PY 0.00011 0.00008 0.00001 0.00001 0.00006 125 4PZ 0.00036 0.00033 -0.00002 -0.00000 0.00002 96 97 98 99 100 96 5 H 1S 0.08370 97 2S 0.12002 0.17343 98 3S 0.04346 0.06590 0.04301 99 4PX 0.00385 0.00557 0.00218 0.00044 100 4PY -0.00481 -0.00715 -0.00154 -0.00025 0.00067 101 4PZ -0.00873 -0.01225 -0.00334 -0.00035 0.00051 102 6 H 1S -0.00979 -0.02140 -0.02396 -0.00225 0.00269 103 2S -0.02140 -0.04115 -0.03911 -0.00365 0.00410 104 3S -0.02396 -0.03911 -0.02502 -0.00211 0.00323 105 4PX -0.00225 -0.00365 -0.00211 0.00004 0.00025 106 4PY 0.00269 0.00410 0.00323 0.00025 0.00005 107 4PZ 0.00234 0.00258 -0.00112 -0.00007 0.00001 108 7 H 1S -0.00492 -0.00729 -0.00683 -0.00068 0.00010 109 2S -0.00687 -0.00998 -0.01095 -0.00111 -0.00021 110 3S -0.00525 -0.00697 -0.00580 -0.00085 -0.00031 111 4PX 0.00072 0.00114 0.00108 -0.00015 0.00002 112 4PY 0.00039 0.00058 0.00065 0.00009 0.00002 113 4PZ -0.00045 -0.00062 -0.00092 -0.00001 0.00001 114 8 H 1S -0.00547 -0.00742 -0.00727 -0.00084 0.00052 115 2S -0.00723 -0.00993 -0.01047 -0.00122 0.00085 116 3S -0.00955 -0.01491 -0.01124 -0.00119 0.00123 117 4PX 0.00089 0.00130 0.00097 -0.00016 -0.00002 118 4PY -0.00046 -0.00064 -0.00081 -0.00001 0.00005 119 4PZ -0.00010 -0.00026 -0.00022 0.00005 -0.00000 120 9 H 1S 0.01016 0.01497 0.01927 -0.00028 -0.00008 121 2S 0.01549 0.02284 0.02915 -0.00041 0.00001 122 3S 0.02015 0.02981 0.02141 0.00048 -0.00070 123 4PX 0.00013 0.00018 -0.00072 -0.00018 -0.00000 124 4PY 0.00009 0.00004 0.00069 -0.00002 0.00005 125 4PZ 0.00016 0.00027 0.00122 -0.00008 0.00004 101 102 103 104 105 101 4PZ 0.00108 102 6 H 1S -0.00234 0.08370 103 2S -0.00258 0.12002 0.17343 104 3S 0.00112 0.04346 0.06590 0.04301 105 4PX 0.00007 0.00385 0.00557 0.00218 0.00044 106 4PY -0.00001 -0.00481 -0.00715 -0.00154 -0.00025 107 4PZ -0.00064 0.00873 0.01225 0.00334 0.00035 108 7 H 1S 0.00042 -0.00492 -0.00729 -0.00683 -0.00068 109 2S 0.00048 -0.00687 -0.00998 -0.01095 -0.00111 110 3S 0.00054 -0.00525 -0.00697 -0.00580 -0.00085 111 4PX -0.00005 0.00072 0.00114 0.00108 -0.00015 112 4PY -0.00002 0.00039 0.00058 0.00065 0.00009 113 4PZ 0.00000 0.00045 0.00062 0.00092 0.00001 114 8 H 1S 0.00015 0.01016 0.01497 0.01927 -0.00028 115 2S 0.00014 0.01549 0.02284 0.02915 -0.00041 116 3S 0.00028 0.02015 0.02981 0.02141 0.00048 117 4PX -0.00007 0.00013 0.00018 -0.00072 -0.00018 118 4PY 0.00002 0.00009 0.00004 0.00069 -0.00002 119 4PZ 0.00000 -0.00016 -0.00027 -0.00122 0.00008 120 9 H 1S -0.00026 -0.00547 -0.00742 -0.00727 -0.00084 121 2S -0.00045 -0.00723 -0.00993 -0.01047 -0.00122 122 3S -0.00137 -0.00955 -0.01491 -0.01124 -0.00119 123 4PX -0.00006 0.00089 0.00130 0.00097 -0.00016 124 4PY 0.00004 -0.00046 -0.00064 -0.00081 -0.00001 125 4PZ 0.00003 0.00010 0.00026 0.00022 -0.00005 106 107 108 109 110 106 4PY 0.00067 107 4PZ -0.00051 0.00108 108 7 H 1S 0.00010 -0.00042 0.08298 109 2S -0.00021 -0.00048 0.11789 0.16890 110 3S -0.00031 -0.00054 0.04090 0.06076 0.02678 111 4PX 0.00002 0.00005 -0.00493 -0.00705 -0.00234 112 4PY 0.00002 0.00002 -0.00944 -0.01317 -0.00399 113 4PZ -0.00001 0.00000 -0.00000 -0.00000 -0.00000 114 8 H 1S -0.00008 0.00026 -0.00777 -0.01644 -0.01545 115 2S 0.00001 0.00045 -0.01536 -0.02899 -0.02296 116 3S -0.00070 0.00137 -0.01353 -0.02042 -0.00877 117 4PX -0.00000 0.00006 0.00214 0.00335 0.00183 118 4PY 0.00005 -0.00004 0.00352 0.00470 0.00109 119 4PZ -0.00004 0.00003 0.00094 0.00214 0.00225 120 9 H 1S 0.00052 -0.00015 -0.00777 -0.01644 -0.01545 121 2S 0.00085 -0.00014 -0.01536 -0.02899 -0.02296 122 3S 0.00123 -0.00028 -0.01353 -0.02042 -0.00877 123 4PX -0.00002 0.00007 0.00214 0.00335 0.00183 124 4PY 0.00005 -0.00002 0.00352 0.00470 0.00109 125 4PZ 0.00000 0.00000 -0.00094 -0.00214 -0.00225 111 112 113 114 115 111 4PX 0.00052 112 4PY 0.00052 0.00118 113 4PZ 0.00000 0.00000 0.00032 114 8 H 1S 0.00191 -0.00097 0.00379 0.08312 115 2S 0.00298 -0.00072 0.00547 0.11651 0.16405 116 3S 0.00162 0.00117 0.00223 0.03800 0.05519 117 4PX 0.00001 -0.00018 -0.00023 -0.00374 -0.00529 118 4PY -0.00018 -0.00048 0.00033 0.00519 0.00714 119 4PZ -0.00024 0.00018 -0.00024 -0.00837 -0.01154 120 9 H 1S 0.00191 -0.00097 -0.00379 -0.00814 -0.01535 121 2S 0.00298 -0.00072 -0.00547 -0.01535 -0.02654 122 3S 0.00162 0.00117 -0.00223 -0.01704 -0.02455 123 4PX 0.00001 -0.00018 0.00023 0.00176 0.00267 124 4PY -0.00018 -0.00048 -0.00033 -0.00276 -0.00432 125 4PZ 0.00024 -0.00018 -0.00024 0.00271 0.00336 116 117 118 119 120 116 3S 0.02532 117 4PX -0.00172 0.00042 118 4PY 0.00205 -0.00022 0.00058 119 4PZ -0.00301 0.00034 -0.00045 0.00101 120 9 H 1S -0.01704 0.00176 -0.00276 -0.00271 0.08312 121 2S -0.02455 0.00267 -0.00432 -0.00336 0.11651 122 3S -0.01281 0.00159 -0.00253 0.00020 0.03800 123 4PX 0.00159 0.00009 0.00026 0.00000 -0.00374 124 4PY -0.00253 0.00026 -0.00012 0.00005 0.00519 125 4PZ -0.00020 -0.00000 -0.00005 -0.00065 0.00837 121 122 123 124 125 121 2S 0.16405 122 3S 0.05519 0.02532 123 4PX -0.00529 -0.00172 0.00042 124 4PY 0.00714 0.00205 -0.00022 0.00058 125 4PZ 0.01154 0.00301 -0.00034 0.00045 0.00101 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65770 2 2S 0.49057 0.48639 3 2PX 0.00000 0.00000 0.07888 4 2PY 0.00000 0.00000 -0.00000 0.08653 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.08723 6 3S -0.02459 -0.05535 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.07184 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07434 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.07507 10 4S -0.01036 -0.01825 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01635 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01805 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01853 14 5S -0.00247 -0.00375 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00011 -0.00000 0.00000 16 5PY 0.00000 0.00000 -0.00000 0.00058 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00055 18 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 19 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 22 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 24 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00001 -0.00000 -0.00000 29 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 30 2PX -0.00001 -0.00001 0.00117 0.00001 0.00000 31 2PY -0.00000 -0.00000 0.00001 0.00000 0.00000 32 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 33 3S -0.00012 -0.00020 0.00434 0.00001 0.00000 34 3PX -0.00086 -0.00150 0.01453 0.00014 0.00000 35 3PY -0.00001 -0.00002 0.00019 0.00011 0.00000 36 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00007 37 4S 0.00007 -0.00008 0.00325 0.00002 0.00000 38 4PX -0.00130 -0.00249 0.00577 0.00003 -0.00000 39 4PY -0.00002 -0.00003 0.00015 -0.00028 -0.00000 40 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00052 41 5S 0.00153 0.00233 -0.00027 0.00003 0.00000 42 5PX 0.00048 0.00074 -0.00007 0.00002 -0.00000 43 5PY 0.00001 0.00001 -0.00001 -0.00003 -0.00000 44 5PZ 0.00000 0.00000 -0.00000 0.00000 -0.00014 45 6D 0 -0.00000 -0.00000 0.00006 0.00000 -0.00000 46 6D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00003 47 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 48 6D+2 -0.00001 -0.00001 0.00018 0.00000 0.00000 49 6D-2 -0.00000 -0.00000 0.00001 0.00003 0.00000 50 7D 0 -0.00014 -0.00022 0.00033 0.00002 -0.00000 51 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00134 52 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00004 53 7D+2 -0.00037 -0.00058 0.00047 -0.00002 0.00000 54 7D-2 -0.00002 -0.00003 0.00011 0.00128 0.00000 55 3 S 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 56 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 3S -0.00000 0.00000 0.00000 0.00000 0.00000 58 4S -0.00000 0.00000 0.00000 0.00000 0.00000 59 5S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 60 6S 0.00002 0.00004 -0.00025 -0.00011 -0.00000 61 7S -0.00005 -0.00007 0.00018 -0.00009 0.00000 62 7PX -0.00006 -0.00009 0.00003 -0.00002 0.00000 63 7PY -0.00002 -0.00003 0.00010 0.00000 0.00000 64 7PZ -0.00000 -0.00000 0.00000 -0.00000 0.00002 65 8PX -0.00000 0.00000 0.00000 0.00000 -0.00000 66 8PY -0.00000 0.00000 0.00000 0.00000 0.00000 67 8PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 68 9PX -0.00000 0.00000 0.00000 0.00000 -0.00000 69 9PY -0.00000 0.00000 0.00000 0.00000 0.00000 70 9PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 72 10PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 73 10PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 74 11PX 0.00000 0.00001 -0.00007 -0.00003 0.00000 75 11PY 0.00000 0.00000 -0.00006 -0.00002 -0.00000 76 11PZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 77 12PX 0.00012 0.00021 -0.00033 -0.00019 -0.00000 78 12PY -0.00001 -0.00002 -0.00017 -0.00003 -0.00000 79 12PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00009 80 13D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 81 13D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 83 13D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 84 13D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 85 14D 0 -0.00000 -0.00000 0.00000 0.00001 -0.00000 86 14D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 87 14D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 88 14D+2 -0.00000 -0.00000 0.00002 0.00001 0.00000 89 14D-2 -0.00000 -0.00000 0.00004 -0.00000 0.00000 90 4 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 91 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 92 3S -0.00000 -0.00000 0.00003 0.00000 0.00000 93 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 94 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 96 5 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 97 2S 0.00001 0.00001 -0.00013 -0.00002 -0.00003 98 3S 0.00003 0.00006 -0.00030 -0.00011 -0.00022 99 4PX -0.00000 -0.00000 0.00001 0.00000 0.00000 100 4PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 101 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 102 6 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 103 2S 0.00001 0.00001 -0.00013 -0.00002 -0.00003 104 3S 0.00003 0.00006 -0.00030 -0.00011 -0.00022 105 4PX -0.00000 -0.00000 0.00001 0.00000 0.00000 106 4PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 107 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 108 7 H 1S -0.00021 -0.00030 0.00134 0.00670 0.00000 109 2S -0.00197 -0.00336 0.00313 0.01646 0.00000 110 3S 0.00039 0.00045 0.00044 0.00260 0.00000 111 4PX -0.00009 -0.00013 0.00005 0.00085 0.00000 112 4PY -0.00044 -0.00066 0.00066 0.00150 0.00000 113 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00048 114 8 H 1S -0.00022 -0.00030 0.00078 0.00195 0.00537 115 2S -0.00201 -0.00345 0.00177 0.00468 0.01286 116 3S 0.00041 0.00049 0.00020 0.00063 0.00197 117 4PX -0.00005 -0.00008 0.00016 0.00014 0.00039 118 4PY -0.00013 -0.00020 0.00011 -0.00001 0.00087 119 4PZ -0.00036 -0.00054 0.00031 0.00085 0.00067 120 9 H 1S -0.00022 -0.00030 0.00078 0.00195 0.00537 121 2S -0.00201 -0.00345 0.00177 0.00468 0.01286 122 3S 0.00041 0.00049 0.00020 0.00063 0.00197 123 4PX -0.00005 -0.00008 0.00016 0.00014 0.00039 124 4PY -0.00013 -0.00020 0.00011 -0.00001 0.00087 125 4PZ -0.00036 -0.00054 0.00031 0.00085 0.00067 6 7 8 9 10 6 3S 0.39598 7 3PX 0.00000 0.16563 8 3PY 0.00000 0.00000 0.16159 9 3PZ 0.00000 0.00000 0.00000 0.16322 10 4S 0.18174 0.00000 0.00000 0.00000 0.14258 11 4PX 0.00000 0.07021 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.07300 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.07518 0.00000 14 5S 0.03844 0.00000 0.00000 0.00000 0.04773 15 5PX 0.00000 0.00076 -0.00000 0.00000 0.00000 16 5PY 0.00000 -0.00000 0.00309 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00298 0.00000 18 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 23 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 25 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 26 7D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 27 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 28 2 C 1S -0.00012 -0.00091 -0.00000 -0.00000 0.00002 29 2S -0.00020 -0.00159 -0.00000 0.00000 -0.00015 30 2PX 0.00409 0.01440 0.00016 0.00000 0.00259 31 2PY 0.00005 0.00020 0.00018 0.00000 0.00009 32 2PZ 0.00000 0.00000 0.00000 0.00007 0.00000 33 3S 0.00614 0.02953 0.00003 0.00000 0.00444 34 3PX 0.02783 0.05739 0.00069 0.00000 0.01363 35 3PY 0.00028 0.00095 0.00135 0.00000 0.00044 36 3PZ 0.00000 0.00000 0.00000 0.00065 0.00000 37 4S 0.00384 0.01702 0.00006 0.00000 0.00094 38 4PX 0.02899 0.02107 0.00023 -0.00000 0.01389 39 4PY 0.00042 0.00073 -0.00041 -0.00000 0.00071 40 4PZ 0.00000 0.00000 0.00000 -0.00230 0.00000 41 5S -0.02509 -0.00183 0.00016 0.00000 -0.03153 42 5PX -0.00747 -0.00044 0.00009 -0.00000 -0.00869 43 5PY -0.00007 -0.00005 -0.00020 -0.00000 -0.00003 44 5PZ -0.00000 -0.00000 0.00000 -0.00075 -0.00000 45 6D 0 0.00017 0.00028 0.00001 -0.00000 0.00005 46 6D+1 0.00000 0.00000 -0.00000 0.00030 0.00000 47 6D-1 -0.00000 -0.00000 0.00000 0.00001 -0.00000 48 6D+2 0.00047 0.00078 0.00002 0.00000 0.00012 49 6D-2 0.00001 0.00004 0.00026 0.00000 0.00000 50 7D 0 0.00121 0.00070 0.00003 -0.00000 0.00041 51 7D+1 0.00000 -0.00000 -0.00000 0.00496 0.00000 52 7D-1 -0.00000 -0.00000 0.00000 0.00013 -0.00000 53 7D+2 0.00345 0.00093 -0.00004 0.00000 0.00102 54 7D-2 0.00020 0.00028 0.00461 0.00000 0.00003 55 3 S 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 56 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 3S 0.00000 0.00000 0.00000 0.00000 0.00004 58 4S 0.00000 0.00000 0.00000 0.00000 0.00014 59 5S -0.00007 -0.00014 -0.00010 -0.00000 -0.00108 60 6S -0.00119 -0.00182 -0.00079 -0.00000 -0.00406 61 7S 0.00048 0.00109 -0.00055 0.00000 -0.00026 62 7PX 0.00118 0.00016 -0.00009 0.00000 0.00128 63 7PY 0.00029 0.00057 0.00004 0.00000 -0.00022 64 7PZ 0.00000 0.00000 -0.00000 0.00009 0.00000 65 8PX 0.00000 0.00000 0.00000 -0.00000 0.00000 66 8PY 0.00000 0.00000 0.00000 0.00000 -0.00000 67 8PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.00000 -0.00000 0.00002 69 9PY 0.00000 0.00000 0.00000 0.00000 -0.00002 70 9PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 71 10PX -0.00001 -0.00003 -0.00001 0.00000 -0.00023 72 10PY -0.00000 -0.00002 -0.00000 -0.00000 0.00015 73 10PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 11PX -0.00058 -0.00070 -0.00031 0.00000 -0.00146 75 11PY -0.00012 -0.00065 -0.00005 -0.00000 0.00126 76 11PZ -0.00000 0.00000 -0.00000 -0.00011 -0.00000 77 12PX -0.00301 -0.00172 -0.00099 -0.00000 -0.00327 78 12PY 0.00014 -0.00087 -0.00007 -0.00000 0.00235 79 12PZ -0.00000 -0.00000 -0.00000 -0.00055 -0.00000 80 13D 0 0.00000 0.00000 0.00000 -0.00000 0.00001 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 13D+2 0.00000 0.00000 0.00000 -0.00000 0.00001 84 13D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 85 14D 0 0.00002 0.00004 0.00008 -0.00000 0.00008 86 14D+1 0.00000 0.00000 -0.00000 0.00005 0.00000 87 14D-1 0.00000 0.00000 0.00000 -0.00001 -0.00000 88 14D+2 0.00011 0.00013 0.00006 0.00000 0.00013 89 14D-2 0.00005 0.00048 0.00001 0.00000 0.00010 90 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 91 2S 0.00000 0.00001 0.00000 0.00000 0.00010 92 3S 0.00014 0.00026 0.00004 0.00000 0.00043 93 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 94 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 95 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 96 5 H 1S -0.00004 -0.00010 -0.00001 -0.00002 -0.00062 97 2S -0.00080 -0.00132 -0.00020 -0.00026 -0.00279 98 3S -0.00116 -0.00184 -0.00057 -0.00119 -0.00210 99 4PX 0.00005 0.00023 0.00001 0.00000 0.00008 100 4PY -0.00000 0.00001 0.00000 0.00000 0.00000 101 4PZ -0.00001 -0.00002 -0.00000 0.00000 -0.00006 102 6 H 1S -0.00004 -0.00010 -0.00001 -0.00002 -0.00062 103 2S -0.00080 -0.00132 -0.00020 -0.00026 -0.00279 104 3S -0.00116 -0.00184 -0.00057 -0.00119 -0.00210 105 4PX 0.00005 0.00023 0.00001 0.00000 0.00008 106 4PY -0.00000 0.00001 0.00000 0.00000 0.00000 107 4PZ -0.00001 -0.00002 -0.00000 0.00000 -0.00006 108 7 H 1S 0.01400 0.00664 0.03329 0.00000 0.01248 109 2S 0.03783 0.01192 0.06258 0.00000 0.03273 110 3S -0.00184 0.00216 0.01224 0.00000 -0.00039 111 4PX 0.00098 0.00048 0.00197 0.00000 0.00030 112 4PY 0.00466 0.00152 0.00249 0.00000 0.00167 113 4PZ 0.00000 0.00000 0.00000 0.00193 0.00000 114 8 H 1S 0.01406 0.00395 0.00966 0.02672 0.01292 115 2S 0.03909 0.00692 0.01781 0.04917 0.03462 116 3S -0.00214 0.00105 0.00297 0.00935 -0.00149 117 4PX 0.00060 0.00094 0.00032 0.00091 0.00018 118 4PY 0.00143 0.00026 0.00026 0.00202 0.00050 119 4PZ 0.00380 0.00072 0.00197 0.00094 0.00139 120 9 H 1S 0.01406 0.00395 0.00966 0.02672 0.01292 121 2S 0.03909 0.00692 0.01781 0.04917 0.03462 122 3S -0.00214 0.00105 0.00297 0.00935 -0.00149 123 4PX 0.00060 0.00094 0.00032 0.00091 0.00018 124 4PY 0.00143 0.00026 0.00026 0.00202 0.00050 125 4PZ 0.00380 0.00072 0.00197 0.00094 0.00139 11 12 13 14 15 11 4PX 0.07028 12 4PY 0.00000 0.07821 13 4PZ 0.00000 0.00000 0.08208 14 5S 0.00000 0.00000 0.00000 0.11542 15 5PX 0.00121 -0.00000 0.00000 0.00000 0.00829 16 5PY -0.00000 0.00647 0.00000 0.00000 -0.00000 17 5PZ 0.00000 0.00000 0.00640 0.00000 0.00000 18 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 23 7D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 28 2 C 1S -0.00137 0.00001 -0.00000 0.00008 0.00006 29 2S -0.00266 0.00001 0.00000 0.00010 0.00009 30 2PX 0.00545 0.00011 -0.00000 0.00004 -0.00006 31 2PY 0.00015 -0.00027 -0.00000 0.00008 0.00002 32 2PZ 0.00000 0.00000 -0.00016 0.00000 -0.00000 33 3S 0.03158 -0.00005 0.00000 -0.00158 -0.00117 34 3PX 0.02014 0.00045 -0.00000 0.00007 -0.00037 35 3PY 0.00068 -0.00126 -0.00000 0.00049 0.00013 36 3PZ 0.00000 0.00000 -0.00054 0.00000 -0.00000 37 4S 0.02027 0.00005 0.00000 -0.00735 -0.00232 38 4PX 0.00682 0.00020 -0.00000 0.00021 -0.00115 39 4PY 0.00080 -0.00555 -0.00000 0.00094 0.00021 40 4PZ 0.00000 0.00000 -0.00565 0.00000 -0.00000 41 5S -0.00346 0.00017 0.00000 -0.10813 -0.01791 42 5PX -0.00128 0.00012 -0.00000 -0.01474 0.00382 43 5PY -0.00008 -0.00029 -0.00000 -0.00050 -0.00009 44 5PZ -0.00000 0.00000 -0.00193 -0.00000 0.00000 45 6D 0 0.00001 0.00000 -0.00000 0.00001 -0.00000 46 6D+1 0.00000 -0.00000 0.00019 -0.00000 -0.00000 47 6D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 48 6D+2 0.00002 0.00001 0.00000 -0.00000 -0.00000 49 6D-2 0.00000 0.00019 0.00000 -0.00000 0.00000 50 7D 0 -0.00013 -0.00001 -0.00000 0.00011 -0.00007 51 7D+1 -0.00000 -0.00000 0.00369 -0.00000 -0.00000 52 7D-1 -0.00000 0.00000 0.00006 -0.00000 -0.00000 53 7D+2 -0.00019 -0.00003 0.00000 -0.00000 -0.00002 54 7D-2 0.00005 0.00344 0.00000 -0.00002 0.00000 55 3 S 1S -0.00000 -0.00000 -0.00000 0.00004 0.00002 56 2S -0.00001 -0.00001 -0.00000 0.00037 0.00018 57 3S 0.00008 0.00005 0.00000 -0.00276 -0.00133 58 4S 0.00028 0.00017 0.00000 -0.00806 -0.00385 59 5S -0.00167 -0.00138 -0.00000 0.02884 0.01278 60 6S -0.00538 -0.00179 -0.00000 0.03394 0.01215 61 7S 0.00254 -0.00137 0.00000 0.00655 0.00198 62 7PX 0.00016 -0.00023 0.00000 0.00102 -0.00012 63 7PY 0.00109 0.00005 0.00000 -0.00024 0.00012 64 7PZ 0.00000 -0.00000 0.00064 0.00000 -0.00000 65 8PX 0.00000 0.00000 -0.00000 0.00001 0.00000 66 8PY 0.00000 0.00000 0.00000 -0.00001 -0.00000 67 8PZ -0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00003 0.00001 -0.00000 0.00008 0.00003 69 9PY 0.00001 0.00002 0.00000 -0.00016 -0.00006 70 9PZ -0.00000 0.00000 0.00003 0.00000 0.00000 71 10PX -0.00036 -0.00021 0.00000 -0.00101 -0.00025 72 10PY -0.00022 -0.00018 -0.00000 0.00090 0.00032 73 10PZ 0.00000 -0.00000 -0.00026 -0.00000 0.00000 74 11PX -0.00167 -0.00137 0.00000 -0.00442 -0.00087 75 11PY -0.00168 -0.00074 -0.00000 0.00505 0.00152 76 11PZ 0.00000 -0.00000 -0.00221 -0.00000 -0.00000 77 12PX -0.00222 -0.00175 -0.00000 -0.00602 -0.00009 78 12PY -0.00115 0.00033 -0.00000 0.00711 0.00178 79 12PZ -0.00000 -0.00000 -0.00444 -0.00000 -0.00000 80 13D 0 0.00001 0.00000 -0.00000 0.00002 0.00000 81 13D+1 0.00000 0.00000 0.00001 -0.00000 0.00000 82 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 13D+2 0.00001 0.00002 -0.00000 0.00001 -0.00001 84 13D-2 0.00004 -0.00000 0.00000 -0.00001 -0.00000 85 14D 0 0.00005 0.00008 -0.00000 0.00023 0.00000 86 14D+1 0.00000 0.00000 0.00023 -0.00000 -0.00000 87 14D-1 -0.00000 -0.00000 -0.00009 -0.00000 -0.00000 88 14D+2 -0.00001 0.00025 -0.00000 0.00003 -0.00008 89 14D-2 0.00078 -0.00004 0.00000 0.00004 -0.00000 90 4 H 1S 0.00002 0.00000 0.00000 0.00123 0.00110 91 2S 0.00036 0.00001 0.00000 0.00561 0.00466 92 3S 0.00112 0.00016 0.00000 0.00166 0.00179 93 4PX 0.00001 -0.00000 0.00000 0.00029 0.00018 94 4PY -0.00000 -0.00000 -0.00000 -0.00002 -0.00002 95 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 5 H 1S -0.00130 -0.00032 -0.00037 -0.00189 -0.00091 97 2S -0.00476 -0.00117 -0.00116 -0.00618 -0.00281 98 3S -0.00371 -0.00148 -0.00219 -0.00235 -0.00070 99 4PX 0.00039 0.00001 -0.00001 -0.00004 -0.00000 100 4PY 0.00002 0.00000 -0.00000 0.00002 0.00000 101 4PZ -0.00010 -0.00002 -0.00000 -0.00005 -0.00003 102 6 H 1S -0.00130 -0.00032 -0.00037 -0.00189 -0.00091 103 2S -0.00476 -0.00117 -0.00116 -0.00618 -0.00281 104 3S -0.00371 -0.00148 -0.00219 -0.00235 -0.00070 105 4PX 0.00039 0.00001 -0.00001 -0.00004 -0.00000 106 4PY 0.00002 0.00000 -0.00000 0.00002 0.00000 107 4PZ -0.00010 -0.00002 -0.00000 -0.00005 -0.00003 108 7 H 1S 0.00435 0.02262 0.00000 0.00096 0.00013 109 2S 0.01017 0.05632 0.00000 0.00257 0.00049 110 3S 0.00277 0.01847 0.00000 -0.00688 0.00078 111 4PX 0.00046 0.00059 0.00000 0.00000 0.00000 112 4PY 0.00045 -0.00024 0.00000 0.00012 -0.00000 113 4PZ 0.00000 0.00000 0.00141 0.00000 0.00000 114 8 H 1S 0.00278 0.00663 0.01838 0.00533 -0.00028 115 2S 0.00639 0.01619 0.04454 0.01725 -0.00083 116 3S 0.00151 0.00459 0.01402 0.00067 0.00001 117 4PX 0.00073 0.00010 0.00027 0.00002 0.00006 118 4PY 0.00008 0.00034 0.00061 0.00003 -0.00000 119 4PZ 0.00023 0.00059 -0.00034 0.00020 -0.00001 120 9 H 1S 0.00278 0.00663 0.01838 0.00533 -0.00028 121 2S 0.00639 0.01619 0.04454 0.01725 -0.00083 122 3S 0.00151 0.00459 0.01402 0.00067 0.00001 123 4PX 0.00073 0.00010 0.00027 0.00002 0.00006 124 4PY 0.00008 0.00034 0.00061 0.00003 -0.00000 125 4PZ 0.00023 0.00059 -0.00034 0.00020 -0.00001 16 17 18 19 20 16 5PY 0.00151 17 5PZ 0.00000 0.00135 18 6D 0 0.00000 0.00000 0.00033 19 6D+1 0.00000 0.00000 0.00000 0.00021 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00031 21 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 23 7D 0 0.00000 0.00000 0.00009 -0.00000 0.00000 24 7D+1 0.00000 0.00000 -0.00000 0.00018 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00009 26 7D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 27 7D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 29 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 30 2PX -0.00000 -0.00000 0.00007 0.00000 -0.00000 31 2PY -0.00013 -0.00000 0.00000 -0.00000 0.00000 32 2PZ -0.00000 -0.00006 -0.00000 0.00003 0.00000 33 3S -0.00001 0.00000 0.00017 0.00000 -0.00000 34 3PX -0.00000 -0.00000 0.00029 0.00000 -0.00000 35 3PY -0.00080 -0.00000 0.00001 -0.00000 0.00000 36 3PZ -0.00000 -0.00034 -0.00000 0.00029 0.00001 37 4S 0.00003 0.00000 0.00005 0.00000 -0.00000 38 4PX -0.00003 -0.00000 0.00001 0.00000 -0.00000 39 4PY -0.00234 -0.00000 0.00000 -0.00000 -0.00000 40 4PZ -0.00000 -0.00130 -0.00000 0.00017 0.00001 41 5S 0.00005 0.00000 -0.00000 -0.00000 0.00000 42 5PX 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 43 5PY -0.00037 -0.00000 0.00000 -0.00000 0.00000 44 5PZ 0.00000 -0.00059 -0.00000 0.00000 0.00000 45 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 46 6D+1 -0.00000 0.00000 -0.00000 -0.00001 -0.00000 47 6D-1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 48 6D+2 -0.00000 0.00000 0.00001 0.00000 0.00000 49 6D-2 0.00001 0.00000 -0.00000 -0.00000 -0.00000 50 7D 0 -0.00000 0.00000 0.00002 0.00000 0.00000 51 7D+1 -0.00000 0.00014 0.00000 -0.00009 -0.00001 52 7D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00001 53 7D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 54 7D-2 0.00014 0.00000 -0.00000 -0.00000 0.00000 55 3 S 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 56 2S 0.00001 0.00000 0.00000 -0.00000 0.00000 57 3S -0.00006 -0.00000 -0.00000 0.00000 -0.00000 58 4S -0.00018 -0.00000 -0.00000 0.00000 -0.00000 59 5S 0.00076 0.00000 0.00000 -0.00000 -0.00000 60 6S 0.00171 0.00000 0.00000 -0.00000 -0.00000 61 7S -0.00003 0.00000 0.00000 -0.00000 -0.00000 62 7PX -0.00005 0.00000 0.00000 0.00000 -0.00000 63 7PY -0.00020 0.00000 0.00000 0.00000 -0.00000 64 7PZ -0.00000 0.00058 -0.00000 0.00000 -0.00000 65 8PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 66 8PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 67 8PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 68 9PX 0.00001 0.00000 -0.00000 0.00000 -0.00000 69 9PY -0.00001 0.00000 -0.00000 0.00000 -0.00000 70 9PZ 0.00000 0.00004 -0.00000 -0.00000 -0.00000 71 10PX -0.00007 0.00000 0.00000 -0.00000 0.00000 72 10PY 0.00006 -0.00000 0.00000 -0.00000 0.00000 73 10PZ -0.00000 -0.00029 0.00000 0.00000 0.00000 74 11PX -0.00037 -0.00000 0.00001 -0.00000 -0.00000 75 11PY 0.00050 -0.00000 0.00000 -0.00000 -0.00000 76 11PZ -0.00000 -0.00197 0.00000 0.00000 0.00000 77 12PX -0.00028 -0.00000 0.00000 -0.00000 -0.00000 78 12PY 0.00101 -0.00000 0.00000 -0.00000 -0.00000 79 12PZ -0.00000 -0.00363 0.00000 -0.00001 0.00001 80 13D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 81 13D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 82 13D-1 0.00000 -0.00000 0.00000 0.00000 -0.00000 83 13D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 84 13D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 85 14D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 86 14D+1 0.00000 0.00004 -0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00003 0.00000 0.00000 -0.00000 88 14D+2 0.00007 -0.00000 -0.00000 0.00000 -0.00000 89 14D-2 0.00001 0.00000 0.00000 -0.00000 0.00000 90 4 H 1S 0.00002 0.00000 -0.00000 0.00000 -0.00000 91 2S 0.00005 0.00000 -0.00000 0.00000 0.00000 92 3S 0.00005 0.00000 -0.00000 0.00000 0.00000 93 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 94 4PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 95 4PZ -0.00000 -0.00001 0.00000 -0.00000 0.00000 96 5 H 1S -0.00010 -0.00010 -0.00000 0.00000 0.00000 97 2S -0.00034 -0.00028 -0.00000 0.00004 0.00001 98 3S -0.00045 -0.00015 -0.00000 0.00002 0.00001 99 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 100 4PY -0.00001 -0.00000 0.00000 0.00000 0.00000 101 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 102 6 H 1S -0.00010 -0.00010 -0.00000 0.00000 0.00000 103 2S -0.00034 -0.00028 -0.00000 0.00004 0.00001 104 3S -0.00045 -0.00015 -0.00000 0.00002 0.00001 105 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 106 4PY -0.00001 -0.00000 0.00000 0.00000 0.00000 107 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 108 7 H 1S 0.00123 0.00000 0.00028 -0.00000 -0.00000 109 2S 0.00418 0.00000 0.00026 -0.00000 -0.00000 110 3S 0.00250 0.00000 0.00002 -0.00000 -0.00000 111 4PX 0.00001 0.00000 0.00002 -0.00000 -0.00000 112 4PY -0.00008 0.00000 0.00002 -0.00000 -0.00000 113 4PZ 0.00000 0.00007 -0.00000 0.00002 -0.00006 114 8 H 1S 0.00028 0.00083 0.00026 0.00023 0.00052 115 2S 0.00098 0.00270 0.00024 0.00021 0.00047 116 3S 0.00057 0.00150 0.00001 0.00002 0.00003 117 4PX 0.00000 0.00000 0.00000 -0.00001 0.00003 118 4PY 0.00003 0.00001 -0.00001 0.00002 -0.00000 119 4PZ 0.00001 -0.00004 -0.00000 0.00002 0.00004 120 9 H 1S 0.00028 0.00083 0.00026 0.00023 0.00052 121 2S 0.00098 0.00270 0.00024 0.00021 0.00047 122 3S 0.00057 0.00150 0.00001 0.00002 0.00003 123 4PX 0.00000 0.00000 0.00000 -0.00001 0.00003 124 4PY 0.00003 0.00001 -0.00001 0.00002 -0.00000 125 4PZ 0.00001 -0.00004 -0.00000 0.00002 0.00004 21 22 23 24 25 21 6D+2 0.00038 22 6D-2 -0.00000 0.00027 23 7D 0 0.00000 -0.00000 0.00024 24 7D+1 0.00000 0.00000 0.00000 0.00114 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00031 26 7D+2 0.00018 0.00000 -0.00000 0.00000 0.00000 27 7D-2 -0.00000 0.00014 0.00000 -0.00000 0.00000 28 2 C 1S -0.00001 -0.00000 -0.00002 -0.00000 -0.00000 29 2S -0.00001 -0.00000 -0.00004 -0.00000 0.00000 30 2PX 0.00019 0.00001 0.00035 -0.00000 -0.00000 31 2PY 0.00000 0.00002 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 -0.00000 0.00136 0.00005 33 3S 0.00049 0.00002 0.00041 0.00000 -0.00000 34 3PX 0.00083 0.00003 0.00071 -0.00000 -0.00000 35 3PY 0.00003 0.00025 -0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 -0.00000 0.00509 0.00019 37 4S 0.00013 0.00000 0.00008 0.00000 -0.00000 38 4PX 0.00002 0.00001 -0.00014 -0.00000 -0.00000 39 4PY 0.00001 0.00019 -0.00000 0.00000 0.00000 40 4PZ -0.00000 0.00000 -0.00000 0.00314 0.00012 41 5S -0.00000 0.00000 0.00001 -0.00000 0.00000 42 5PX -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 43 5PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 44 5PZ -0.00000 0.00000 -0.00000 0.00010 0.00000 45 6D 0 0.00001 -0.00000 0.00001 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00008 -0.00000 47 6D-1 -0.00000 -0.00000 -0.00000 -0.00001 0.00002 48 6D+2 0.00002 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 -0.00001 0.00000 -0.00000 0.00000 50 7D 0 0.00000 -0.00000 0.00002 -0.00000 0.00000 51 7D+1 -0.00000 0.00000 0.00000 -0.00032 -0.00002 52 7D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00008 53 7D+2 0.00001 0.00001 -0.00002 -0.00000 0.00000 54 7D-2 0.00001 -0.00011 -0.00000 -0.00000 0.00000 55 3 S 1S -0.00000 0.00000 -0.00000 0.00000 -0.00000 56 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 57 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 58 4S 0.00000 -0.00000 0.00001 -0.00000 0.00000 59 5S -0.00000 0.00000 -0.00004 0.00000 -0.00000 60 6S -0.00001 0.00001 -0.00001 -0.00000 0.00000 61 7S 0.00000 0.00000 0.00002 -0.00000 -0.00000 62 7PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 63 7PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 64 7PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00002 65 8PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 8PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 67 8PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 68 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 69 9PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 70 9PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 71 10PX -0.00000 0.00000 0.00002 -0.00000 0.00000 72 10PY -0.00000 0.00000 -0.00002 0.00000 -0.00000 73 10PZ 0.00000 -0.00000 0.00000 0.00000 0.00001 74 11PX -0.00000 0.00003 0.00012 -0.00000 -0.00000 75 11PY -0.00000 0.00003 -0.00016 0.00000 0.00000 76 11PZ 0.00000 -0.00000 0.00000 0.00004 0.00012 77 12PX 0.00000 0.00001 0.00001 -0.00000 -0.00000 78 12PY -0.00000 0.00001 -0.00003 0.00000 0.00000 79 12PZ 0.00000 -0.00000 0.00000 -0.00012 0.00025 80 13D 0 0.00000 0.00000 -0.00000 0.00000 -0.00000 81 13D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 83 13D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 84 13D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 85 14D 0 0.00000 0.00000 -0.00001 0.00000 -0.00000 86 14D+1 0.00000 -0.00000 0.00000 0.00002 -0.00001 87 14D-1 0.00000 0.00000 -0.00000 0.00007 -0.00001 88 14D+2 -0.00000 -0.00000 0.00001 0.00000 -0.00000 89 14D-2 0.00000 0.00000 0.00002 -0.00000 -0.00000 90 4 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 91 2S 0.00000 -0.00000 -0.00000 0.00000 -0.00000 92 3S 0.00000 -0.00000 -0.00001 0.00000 0.00000 93 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 94 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 95 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 96 5 H 1S -0.00000 0.00000 -0.00001 0.00035 0.00006 97 2S -0.00000 0.00002 -0.00006 0.00140 0.00025 98 3S -0.00001 0.00001 -0.00002 0.00047 0.00011 99 4PX 0.00000 0.00000 0.00000 0.00005 0.00001 100 4PY 0.00000 -0.00000 -0.00000 0.00003 -0.00000 101 4PZ 0.00000 0.00000 -0.00001 0.00001 0.00000 102 6 H 1S -0.00000 0.00000 -0.00001 0.00035 0.00006 103 2S -0.00000 0.00002 -0.00006 0.00140 0.00025 104 3S -0.00001 0.00001 -0.00002 0.00047 0.00011 105 4PX 0.00000 0.00000 0.00000 0.00005 0.00001 106 4PY 0.00000 -0.00000 -0.00000 0.00003 -0.00000 107 4PZ 0.00000 0.00000 -0.00001 0.00001 0.00000 108 7 H 1S 0.00035 0.00047 0.00015 -0.00000 -0.00000 109 2S 0.00032 0.00045 0.00017 -0.00000 -0.00000 110 3S 0.00002 0.00003 0.00001 -0.00000 -0.00000 111 4PX -0.00001 -0.00001 -0.00000 0.00000 -0.00000 112 4PY 0.00002 0.00007 -0.00000 -0.00000 -0.00000 113 4PZ -0.00000 0.00000 -0.00000 0.00004 -0.00007 114 8 H 1S 0.00002 0.00008 0.00027 0.00052 0.00066 115 2S 0.00001 0.00008 0.00035 0.00065 0.00082 116 3S 0.00000 0.00000 0.00004 0.00014 0.00015 117 4PX -0.00002 -0.00001 -0.00002 -0.00004 0.00001 118 4PY -0.00001 0.00000 -0.00000 0.00002 -0.00003 119 4PZ 0.00000 0.00002 -0.00004 0.00000 0.00001 120 9 H 1S 0.00002 0.00008 0.00027 0.00052 0.00066 121 2S 0.00001 0.00008 0.00035 0.00065 0.00082 122 3S 0.00000 0.00000 0.00004 0.00014 0.00015 123 4PX -0.00002 -0.00001 -0.00002 -0.00004 0.00001 124 4PY -0.00001 0.00000 -0.00000 0.00002 -0.00003 125 4PZ 0.00000 0.00002 -0.00004 0.00000 0.00001 26 27 28 29 30 26 7D+2 0.00065 27 7D-2 -0.00000 0.00052 28 2 C 1S -0.00048 -0.00003 0.65799 29 2S -0.00076 -0.00005 0.49102 0.48727 30 2PX 0.00052 0.00006 0.00000 0.00000 0.08122 31 2PY 0.00010 0.00071 0.00000 0.00000 0.00000 32 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00465 0.00024 -0.02567 -0.05753 0.00000 34 3PX 0.00104 0.00016 0.00000 0.00000 0.07519 35 3PY 0.00038 0.00287 0.00000 0.00000 0.00000 36 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00144 0.00007 -0.01053 -0.01827 0.00000 38 4PX -0.00020 0.00004 0.00000 0.00000 0.01781 39 4PY 0.00020 0.00216 0.00000 0.00000 0.00000 40 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.00006 0.00001 -0.00070 -0.00105 0.00000 42 5PX 0.00003 -0.00000 0.00000 0.00000 0.00027 43 5PY -0.00000 0.00001 0.00000 0.00000 -0.00000 44 5PZ -0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 46 6D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 47 6D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 48 6D+2 0.00001 0.00001 -0.00000 0.00000 0.00000 49 6D-2 -0.00000 -0.00005 -0.00000 -0.00000 0.00000 50 7D 0 -0.00009 0.00001 -0.00000 -0.00000 0.00000 51 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00003 0.00000 0.00000 0.00000 54 7D-2 -0.00001 -0.00028 0.00000 0.00000 0.00000 55 3 S 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 56 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 57 3S -0.00000 0.00000 0.00000 -0.00000 -0.00000 58 4S -0.00000 0.00000 0.00000 -0.00000 -0.00000 59 5S -0.00000 0.00005 0.00000 0.00000 0.00015 60 6S -0.00011 -0.00011 0.00037 0.00057 0.00026 61 7S 0.00001 0.00000 0.00014 0.00024 -0.00015 62 7PX -0.00001 -0.00000 -0.00002 -0.00002 0.00012 63 7PY -0.00001 0.00001 0.00004 0.00010 -0.00009 64 7PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 65 8PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 66 8PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 67 8PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 68 9PX -0.00000 -0.00001 0.00000 -0.00000 -0.00000 69 9PY -0.00000 -0.00001 0.00000 -0.00000 -0.00000 70 9PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 71 10PX 0.00001 0.00008 -0.00000 -0.00000 0.00002 72 10PY 0.00005 0.00009 -0.00001 -0.00001 0.00016 73 10PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 74 11PX 0.00003 0.00062 -0.00013 -0.00025 -0.00002 75 11PY 0.00045 0.00061 -0.00068 -0.00129 0.00249 76 11PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 12PX 0.00002 0.00011 0.00005 0.00007 -0.00039 78 12PY 0.00024 0.00003 -0.00016 -0.00043 0.00047 79 12PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 80 13D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 81 13D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 82 13D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 83 13D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00001 84 13D-2 0.00000 0.00001 -0.00000 -0.00000 -0.00000 85 14D 0 0.00001 0.00002 -0.00005 -0.00011 0.00007 86 14D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 88 14D+2 0.00003 -0.00009 -0.00015 -0.00027 0.00101 89 14D-2 0.00008 0.00008 -0.00012 -0.00023 -0.00001 90 4 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 91 2S 0.00000 -0.00000 0.00000 0.00000 -0.00007 92 3S 0.00001 -0.00002 0.00004 0.00006 -0.00033 93 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 94 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 95 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 96 5 H 1S 0.00001 0.00010 -0.00023 -0.00032 0.00081 97 2S 0.00002 0.00034 -0.00234 -0.00399 0.00190 98 3S -0.00013 0.00011 0.00046 0.00058 0.00016 99 4PX 0.00002 0.00002 -0.00006 -0.00010 0.00017 100 4PY 0.00002 0.00000 -0.00015 -0.00023 0.00010 101 4PZ 0.00001 0.00002 -0.00041 -0.00062 0.00036 102 6 H 1S 0.00001 0.00010 -0.00023 -0.00032 0.00081 103 2S 0.00002 0.00034 -0.00234 -0.00399 0.00190 104 3S -0.00013 0.00011 0.00046 0.00058 0.00016 105 4PX 0.00002 0.00002 -0.00006 -0.00010 0.00017 106 4PY 0.00002 0.00000 -0.00015 -0.00023 0.00010 107 4PZ 0.00001 0.00002 -0.00041 -0.00062 0.00036 108 7 H 1S 0.00037 0.00078 0.00000 0.00000 -0.00000 109 2S 0.00039 0.00105 0.00000 0.00001 -0.00015 110 3S 0.00004 0.00016 0.00008 0.00015 -0.00040 111 4PX -0.00007 -0.00003 -0.00000 -0.00000 0.00001 112 4PY -0.00003 0.00003 -0.00000 -0.00000 -0.00000 113 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 114 8 H 1S 0.00008 0.00005 0.00000 0.00000 -0.00000 115 2S 0.00010 0.00009 0.00001 0.00001 -0.00013 116 3S 0.00001 0.00002 0.00005 0.00008 -0.00034 117 4PX -0.00004 -0.00003 -0.00000 -0.00000 0.00001 118 4PY -0.00002 0.00001 0.00000 0.00000 0.00000 119 4PZ 0.00001 0.00001 0.00000 0.00000 -0.00000 120 9 H 1S 0.00008 0.00005 0.00000 0.00000 -0.00000 121 2S 0.00010 0.00009 0.00001 0.00001 -0.00013 122 3S 0.00001 0.00002 0.00005 0.00008 -0.00034 123 4PX -0.00004 -0.00003 -0.00000 -0.00000 0.00001 124 4PY -0.00002 0.00001 0.00000 0.00000 0.00000 125 4PZ 0.00001 0.00001 0.00000 0.00000 -0.00000 31 32 33 34 35 31 2PY 0.07075 32 2PZ 0.00000 0.09049 33 3S 0.00000 0.00000 0.41672 34 3PX 0.00000 0.00000 0.00000 0.17603 35 3PY 0.06649 0.00000 0.00000 0.00000 0.15888 36 3PZ 0.00000 0.07813 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.18158 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.07780 -0.00000 39 4PY 0.01719 0.00000 0.00000 0.00000 0.07644 40 4PZ 0.00000 0.01649 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 0.01152 0.00000 0.00000 42 5PX -0.00000 0.00000 0.00000 0.00166 -0.00000 43 5PY -0.00016 0.00000 0.00000 -0.00000 -0.00102 44 5PZ 0.00000 0.00044 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 55 3 S 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 56 2S 0.00000 0.00000 -0.00000 0.00000 0.00001 57 3S -0.00000 -0.00000 0.00000 -0.00003 -0.00014 58 4S -0.00000 -0.00000 0.00001 -0.00015 -0.00067 59 5S 0.00074 0.00000 -0.00069 0.00163 0.00765 60 6S -0.00043 0.00000 -0.00766 0.00171 -0.00205 61 7S 0.00012 0.00000 -0.00323 -0.00091 0.00065 62 7PX 0.00001 0.00000 0.00010 0.00073 0.00003 63 7PY 0.00003 0.00000 -0.00176 -0.00054 0.00020 64 7PZ 0.00000 0.00004 0.00000 0.00000 0.00000 65 8PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 66 8PY -0.00000 -0.00000 -0.00001 -0.00001 -0.00006 67 8PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 68 9PX -0.00000 -0.00000 -0.00005 -0.00002 -0.00025 69 9PY -0.00001 -0.00000 -0.00021 -0.00024 -0.00112 70 9PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 71 10PX 0.00016 -0.00000 0.00057 0.00010 0.00256 72 10PY 0.00078 0.00000 0.00269 0.00247 0.01140 73 10PZ 0.00000 -0.00001 0.00000 -0.00000 0.00000 74 11PX 0.00241 -0.00000 0.00467 -0.00090 0.01282 75 11PY 0.00992 0.00000 0.02290 0.01284 0.04811 76 11PZ 0.00000 -0.00029 0.00000 -0.00000 0.00000 77 12PX 0.00020 -0.00000 -0.00039 -0.00238 0.00110 78 12PY 0.00102 -0.00000 0.00750 0.00252 0.00433 79 12PZ -0.00000 -0.00111 -0.00000 -0.00000 -0.00000 80 13D 0 0.00001 0.00000 0.00008 0.00001 0.00022 81 13D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 13D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 83 13D+2 0.00001 0.00000 0.00014 0.00034 0.00022 84 13D-2 0.00002 -0.00000 0.00017 -0.00000 0.00048 85 14D 0 0.00043 0.00000 0.00154 0.00023 0.00151 86 14D+1 -0.00000 0.00008 -0.00000 -0.00000 -0.00000 87 14D-1 0.00000 0.00056 -0.00000 -0.00000 -0.00000 88 14D+2 0.00058 0.00000 0.00343 0.00439 0.00172 89 14D-2 0.00112 -0.00000 0.00314 0.00015 0.00421 90 4 H 1S -0.00000 -0.00000 -0.00001 -0.00003 -0.00001 91 2S -0.00000 -0.00000 -0.00018 -0.00099 -0.00003 92 3S -0.00013 -0.00000 -0.00107 -0.00207 -0.00087 93 4PX 0.00000 -0.00000 -0.00000 -0.00003 0.00003 94 4PY 0.00000 -0.00000 0.00001 0.00003 0.00002 95 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 5 H 1S 0.00185 0.00559 0.01504 0.00406 0.00921 97 2S 0.00394 0.01387 0.04531 0.00742 0.01505 98 3S 0.00064 0.00232 -0.00377 0.00078 0.00337 99 4PX 0.00008 0.00043 0.00071 0.00100 0.00019 100 4PY -0.00001 0.00084 0.00173 0.00025 0.00044 101 4PZ 0.00071 0.00076 0.00447 0.00084 0.00160 102 6 H 1S 0.00185 0.00559 0.01504 0.00406 0.00921 103 2S 0.00394 0.01387 0.04531 0.00742 0.01505 104 3S 0.00064 0.00232 -0.00377 0.00078 0.00337 105 4PX 0.00008 0.00043 0.00071 0.00100 0.00019 106 4PY -0.00001 0.00084 0.00173 0.00025 0.00044 107 4PZ 0.00071 0.00076 0.00447 0.00084 0.00160 108 7 H 1S -0.00000 -0.00000 -0.00004 -0.00010 -0.00001 109 2S -0.00003 -0.00000 -0.00076 -0.00160 -0.00032 110 3S -0.00014 -0.00000 -0.00243 -0.00242 -0.00081 111 4PX -0.00000 0.00000 0.00006 0.00024 -0.00002 112 4PY -0.00000 -0.00000 -0.00001 -0.00004 -0.00000 113 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 114 8 H 1S -0.00000 -0.00000 -0.00003 -0.00010 -0.00001 115 2S -0.00002 -0.00004 -0.00078 -0.00139 -0.00023 116 3S -0.00009 -0.00027 -0.00131 -0.00199 -0.00056 117 4PX 0.00000 -0.00000 0.00005 0.00022 0.00001 118 4PY -0.00000 0.00000 -0.00001 0.00000 0.00000 119 4PZ 0.00000 0.00000 -0.00001 -0.00002 -0.00000 120 9 H 1S -0.00000 -0.00000 -0.00003 -0.00010 -0.00001 121 2S -0.00002 -0.00004 -0.00078 -0.00139 -0.00023 122 3S -0.00009 -0.00027 -0.00131 -0.00199 -0.00056 123 4PX 0.00000 -0.00000 0.00005 0.00022 0.00001 124 4PY -0.00000 0.00000 -0.00001 0.00000 0.00000 125 4PZ 0.00000 0.00000 -0.00001 -0.00002 -0.00000 36 37 38 39 40 36 3PZ 0.17045 37 4S 0.00000 0.14154 38 4PX 0.00000 0.00000 0.08318 39 4PY 0.00000 0.00000 -0.00000 0.08818 40 4PZ 0.06717 0.00000 0.00000 0.00000 0.06351 41 5S 0.00000 0.02506 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00383 -0.00000 0.00000 43 5PY 0.00000 0.00000 -0.00000 -0.00126 0.00000 44 5PZ 0.00238 0.00000 0.00000 0.00000 0.00455 45 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 55 3 S 1S 0.00000 -0.00001 -0.00000 0.00001 -0.00000 56 2S 0.00000 -0.00009 -0.00003 0.00006 -0.00000 57 3S -0.00000 0.00077 0.00020 -0.00045 0.00000 58 4S -0.00000 0.00254 0.00054 -0.00138 0.00000 59 5S 0.00000 -0.01517 -0.00174 0.00454 -0.00000 60 6S 0.00000 -0.03522 -0.00342 -0.01731 -0.00000 61 7S 0.00000 -0.00837 -0.00237 0.00085 0.00000 62 7PX 0.00000 0.00048 0.00138 0.00016 -0.00000 63 7PY 0.00000 -0.00343 -0.00120 0.00084 -0.00000 64 7PZ 0.00021 0.00000 0.00000 0.00000 -0.00029 65 8PX 0.00000 0.00000 0.00001 -0.00003 0.00000 66 8PY -0.00000 -0.00004 -0.00005 -0.00012 -0.00000 67 8PZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 68 9PX 0.00000 0.00004 0.00008 -0.00034 0.00000 69 9PY -0.00000 -0.00053 -0.00061 -0.00165 -0.00000 70 9PZ 0.00001 0.00000 0.00000 -0.00000 -0.00009 71 10PX -0.00000 -0.00004 -0.00059 0.00270 -0.00000 72 10PY 0.00000 0.00573 0.00425 0.01121 0.00000 73 10PZ -0.00012 -0.00000 -0.00000 0.00000 0.00078 74 11PX -0.00000 -0.00032 -0.00338 0.01099 0.00000 75 11PY 0.00000 0.02931 0.01779 0.03597 0.00000 76 11PZ -0.00138 -0.00000 0.00000 0.00000 0.00394 77 12PX -0.00000 -0.00270 -0.00428 0.00100 -0.00000 78 12PY -0.00000 0.01402 0.00553 0.00061 0.00000 79 12PZ -0.00551 -0.00000 -0.00000 -0.00000 -0.00237 80 13D 0 0.00000 0.00007 0.00001 0.00006 0.00000 81 13D+1 0.00002 -0.00000 -0.00000 -0.00000 0.00002 82 13D-1 0.00012 -0.00000 -0.00000 -0.00000 0.00016 83 13D+2 0.00000 0.00008 0.00028 0.00001 0.00000 84 13D-2 -0.00000 0.00008 -0.00001 0.00019 -0.00000 85 14D 0 0.00000 0.00079 0.00005 0.00025 0.00000 86 14D+1 0.00040 -0.00000 -0.00000 -0.00000 0.00024 87 14D-1 0.00284 -0.00000 -0.00000 -0.00000 0.00256 88 14D+2 0.00000 0.00151 0.00331 -0.00056 0.00000 89 14D-2 -0.00000 0.00102 0.00027 0.00144 -0.00000 90 4 H 1S -0.00000 0.00009 -0.00066 -0.00010 -0.00000 91 2S -0.00000 0.00136 -0.00371 0.00064 -0.00000 92 3S -0.00000 0.00239 -0.00351 -0.00091 -0.00000 93 4PX -0.00000 0.00004 -0.00012 0.00018 -0.00000 94 4PY -0.00000 0.00005 0.00023 0.00005 0.00000 95 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00001 96 5 H 1S 0.02772 0.01230 0.00254 0.00687 0.01622 97 2S 0.05303 0.03504 0.00610 0.01506 0.04075 98 3S 0.01099 -0.00638 0.00057 0.00585 0.01349 99 4PX 0.00100 0.00021 0.00084 0.00006 0.00026 100 4PY 0.00196 0.00058 0.00009 0.00062 0.00051 101 4PZ 0.00107 0.00146 0.00024 0.00053 -0.00032 102 6 H 1S 0.02772 0.01230 0.00254 0.00687 0.01622 103 2S 0.05303 0.03504 0.00610 0.01506 0.04075 104 3S 0.01099 -0.00638 0.00057 0.00585 0.01349 105 4PX 0.00100 0.00021 0.00084 0.00006 0.00026 106 4PY 0.00196 0.00058 0.00009 0.00062 0.00051 107 4PZ 0.00107 0.00146 0.00024 0.00053 -0.00032 108 7 H 1S -0.00000 -0.00058 -0.00177 -0.00039 -0.00000 109 2S -0.00000 -0.00206 -0.00734 -0.00195 -0.00000 110 3S -0.00000 -0.00271 -0.00594 -0.00227 -0.00000 111 4PX 0.00000 0.00015 0.00039 -0.00011 0.00000 112 4PY -0.00000 -0.00004 -0.00017 0.00002 -0.00000 113 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00004 114 8 H 1S -0.00003 -0.00053 -0.00114 -0.00028 -0.00058 115 2S -0.00031 -0.00258 -0.00406 -0.00124 -0.00202 116 3S -0.00147 -0.00163 -0.00331 -0.00144 -0.00313 117 4PX -0.00000 0.00010 0.00044 0.00002 -0.00004 118 4PY 0.00000 -0.00003 -0.00001 0.00001 -0.00001 119 4PZ 0.00000 -0.00005 -0.00008 -0.00002 0.00000 120 9 H 1S -0.00003 -0.00053 -0.00114 -0.00028 -0.00058 121 2S -0.00031 -0.00258 -0.00406 -0.00124 -0.00202 122 3S -0.00147 -0.00163 -0.00331 -0.00144 -0.00313 123 4PX -0.00000 0.00010 0.00044 0.00002 -0.00004 124 4PY 0.00000 -0.00003 -0.00001 0.00001 -0.00001 125 4PZ 0.00000 -0.00005 -0.00008 -0.00002 0.00000 41 42 43 44 45 41 5S 0.16805 42 5PX 0.00000 0.00832 43 5PY 0.00000 0.00000 0.00247 44 5PZ 0.00000 0.00000 0.00000 0.00092 45 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00031 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 50 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00022 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 55 3 S 1S -0.00010 0.00001 -0.00002 0.00000 0.00000 56 2S -0.00092 0.00010 -0.00017 0.00000 0.00000 57 3S 0.00689 -0.00072 0.00125 -0.00000 -0.00000 58 4S 0.02032 -0.00201 0.00373 -0.00000 -0.00000 59 5S -0.07527 0.00566 -0.01393 0.00000 0.00007 60 6S -0.08890 0.00375 -0.01644 0.00000 0.00001 61 7S -0.02200 0.00005 -0.00234 0.00000 0.00000 62 7PX -0.00058 -0.00036 0.00001 -0.00000 -0.00000 63 7PY -0.00218 -0.00022 0.00057 -0.00000 -0.00000 64 7PZ -0.00000 -0.00000 0.00000 -0.00046 -0.00000 65 8PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 8PY 0.00001 -0.00001 0.00000 -0.00000 -0.00000 67 8PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 68 9PX -0.00004 -0.00003 -0.00001 -0.00000 -0.00000 69 9PY 0.00019 -0.00009 0.00001 -0.00000 -0.00000 70 9PZ -0.00000 -0.00000 -0.00000 -0.00004 -0.00000 71 10PX 0.00051 0.00043 0.00001 0.00000 0.00001 72 10PY -0.00144 0.00047 -0.00002 0.00000 0.00004 73 10PZ 0.00000 0.00000 0.00000 0.00034 0.00000 74 11PX 0.00174 0.00180 -0.00007 0.00000 0.00003 75 11PY -0.00665 0.00242 -0.00032 0.00000 0.00018 76 11PZ 0.00000 0.00000 0.00000 0.00213 0.00000 77 12PX 0.00262 0.00244 0.00002 0.00000 0.00000 78 12PY -0.01004 0.00192 -0.00049 0.00000 -0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00260 0.00000 80 13D 0 -0.00002 -0.00000 0.00000 0.00000 0.00000 81 13D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 82 13D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00002 -0.00000 -0.00000 0.00000 -0.00000 84 13D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 85 14D 0 -0.00018 -0.00004 0.00002 0.00000 0.00001 86 14D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 14D-1 0.00000 -0.00000 0.00000 0.00010 0.00000 88 14D+2 0.00013 0.00006 -0.00005 0.00000 -0.00000 89 14D-2 -0.00010 -0.00004 0.00001 -0.00000 0.00002 90 4 H 1S -0.00461 0.00167 -0.00037 0.00000 0.00000 91 2S -0.01862 0.00645 -0.00115 0.00000 0.00001 92 3S -0.00149 0.00154 0.00067 0.00000 0.00000 93 4PX -0.00066 0.00004 -0.00006 -0.00000 0.00000 94 4PY 0.00011 -0.00001 -0.00002 0.00000 0.00000 95 4PZ -0.00000 -0.00000 -0.00000 0.00002 0.00000 96 5 H 1S 0.00658 -0.00012 -0.00011 0.00065 0.00027 97 2S 0.02114 -0.00031 -0.00027 0.00216 0.00022 98 3S 0.00643 -0.00030 0.00010 0.00112 0.00001 99 4PX 0.00000 0.00004 0.00000 0.00000 -0.00000 100 4PY -0.00002 0.00000 -0.00001 0.00001 -0.00001 101 4PZ 0.00020 -0.00000 -0.00000 -0.00003 -0.00000 102 6 H 1S 0.00658 -0.00012 -0.00011 0.00065 0.00027 103 2S 0.02114 -0.00031 -0.00027 0.00216 0.00022 104 3S 0.00643 -0.00030 0.00010 0.00112 0.00001 105 4PX 0.00000 0.00004 0.00000 0.00000 -0.00000 106 4PY -0.00002 0.00000 -0.00001 0.00001 -0.00001 107 4PZ 0.00020 -0.00000 -0.00000 -0.00003 -0.00000 108 7 H 1S -0.00054 -0.00034 -0.00010 -0.00000 0.00000 109 2S -0.00186 -0.00110 -0.00031 -0.00000 0.00001 110 3S 0.00327 0.00087 -0.00034 0.00000 0.00000 111 4PX -0.00007 0.00000 0.00000 -0.00000 0.00000 112 4PY -0.00005 -0.00003 0.00001 -0.00000 0.00000 113 4PZ -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 114 8 H 1S -0.00172 -0.00125 0.00002 -0.00020 -0.00000 115 2S -0.00550 -0.00385 0.00005 -0.00069 -0.00000 116 3S 0.00312 -0.00026 0.00013 -0.00068 -0.00000 117 4PX -0.00010 -0.00000 -0.00001 -0.00001 0.00000 118 4PY -0.00001 -0.00001 -0.00001 -0.00000 0.00000 119 4PZ -0.00007 -0.00005 0.00000 0.00001 -0.00000 120 9 H 1S -0.00172 -0.00125 0.00002 -0.00020 -0.00000 121 2S -0.00550 -0.00385 0.00005 -0.00069 -0.00000 122 3S 0.00312 -0.00026 0.00013 -0.00068 -0.00000 123 4PX -0.00010 -0.00000 -0.00001 -0.00001 0.00000 124 4PY -0.00001 -0.00001 -0.00001 -0.00000 0.00000 125 4PZ -0.00007 -0.00005 0.00000 0.00001 -0.00000 46 47 48 49 50 46 6D+1 0.00022 47 6D-1 0.00000 0.00044 48 6D+2 0.00000 0.00000 0.00036 49 6D-2 0.00000 0.00000 -0.00000 0.00025 50 7D 0 0.00000 0.00000 0.00000 -0.00000 0.00119 51 7D+1 0.00022 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00020 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00024 -0.00000 0.00000 54 7D-2 0.00000 0.00000 -0.00000 0.00030 -0.00000 55 3 S 1S -0.00000 0.00000 0.00000 0.00000 0.00000 56 2S -0.00000 0.00000 0.00000 0.00000 0.00003 57 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00021 58 4S 0.00000 -0.00000 -0.00000 -0.00000 -0.00063 59 5S -0.00000 -0.00000 0.00013 0.00012 0.00178 60 6S -0.00000 -0.00000 0.00010 0.00004 0.00039 61 7S -0.00000 -0.00000 -0.00000 0.00000 0.00003 62 7PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 63 7PY 0.00000 -0.00000 0.00000 0.00000 0.00001 64 7PZ -0.00000 -0.00001 -0.00000 0.00000 -0.00000 65 8PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 66 8PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 67 8PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 68 9PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 69 9PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00015 70 9PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 71 10PX -0.00000 -0.00000 0.00004 0.00000 0.00010 72 10PY -0.00000 -0.00000 0.00002 0.00009 0.00092 73 10PZ 0.00000 0.00003 0.00000 -0.00000 0.00000 74 11PX -0.00000 -0.00000 0.00025 -0.00000 0.00021 75 11PY -0.00000 -0.00000 0.00007 0.00040 0.00163 76 11PZ 0.00002 0.00037 0.00000 -0.00000 0.00000 77 12PX -0.00000 0.00000 0.00003 -0.00001 0.00000 78 12PY -0.00000 -0.00000 -0.00001 0.00001 -0.00014 79 12PZ 0.00000 0.00017 0.00000 -0.00000 0.00000 80 13D 0 0.00000 -0.00000 -0.00000 0.00000 0.00003 81 13D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 82 13D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 13D+2 0.00000 -0.00000 0.00000 0.00000 0.00001 84 13D-2 0.00000 -0.00000 0.00000 0.00000 0.00002 85 14D 0 0.00000 -0.00000 0.00000 0.00001 0.00013 86 14D+1 0.00000 -0.00002 -0.00000 0.00000 -0.00000 87 14D-1 0.00002 -0.00004 0.00000 -0.00000 -0.00000 88 14D+2 0.00000 -0.00000 -0.00002 0.00005 -0.00001 89 14D-2 0.00000 -0.00000 0.00002 0.00000 -0.00001 90 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00003 91 2S 0.00000 -0.00000 0.00001 0.00001 0.00020 92 3S 0.00000 0.00000 0.00001 -0.00001 -0.00004 93 4PX -0.00000 0.00000 0.00000 0.00000 0.00003 94 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 95 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 96 5 H 1S 0.00022 0.00059 0.00002 0.00008 0.00049 97 2S 0.00021 0.00057 0.00002 0.00006 0.00054 98 3S 0.00001 0.00005 0.00000 0.00000 0.00013 99 4PX -0.00002 0.00003 -0.00002 -0.00001 -0.00002 100 4PY 0.00002 -0.00000 -0.00001 0.00000 -0.00012 101 4PZ 0.00002 0.00005 0.00001 0.00002 -0.00004 102 6 H 1S 0.00022 0.00059 0.00002 0.00008 0.00049 103 2S 0.00021 0.00057 0.00002 0.00006 0.00054 104 3S 0.00001 0.00005 0.00000 0.00000 0.00013 105 4PX -0.00002 0.00003 -0.00002 -0.00001 -0.00002 106 4PY 0.00002 -0.00000 -0.00001 0.00000 -0.00012 107 4PZ 0.00002 0.00005 0.00001 0.00002 -0.00004 108 7 H 1S -0.00000 0.00000 0.00000 0.00000 0.00008 109 2S -0.00000 -0.00000 -0.00000 0.00005 0.00034 110 3S -0.00000 -0.00000 -0.00001 0.00003 0.00009 111 4PX 0.00000 -0.00000 0.00000 0.00000 0.00003 112 4PY -0.00000 -0.00000 0.00000 0.00000 0.00001 113 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 114 8 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00002 115 2S 0.00004 0.00001 -0.00000 0.00002 -0.00011 116 3S 0.00002 0.00001 -0.00001 0.00001 -0.00007 117 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 118 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 119 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 120 9 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00002 121 2S 0.00004 0.00001 -0.00000 0.00002 -0.00011 122 3S 0.00002 0.00001 -0.00001 0.00001 -0.00007 123 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 125 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 51 52 53 54 55 51 7D+1 0.00154 52 7D-1 -0.00000 0.00162 53 7D+2 0.00000 -0.00000 0.00119 54 7D-2 0.00000 0.00000 0.00000 0.00206 55 3 S 1S -0.00000 0.00000 0.00000 0.00000 0.36884 56 2S -0.00000 0.00000 0.00003 0.00003 0.45149 57 3S 0.00000 -0.00000 -0.00022 -0.00020 -0.02823 58 4S 0.00000 -0.00000 -0.00072 -0.00063 -0.01937 59 5S -0.00000 -0.00000 0.00279 0.00214 0.00124 60 6S -0.00000 -0.00000 0.00184 0.00026 0.00060 61 7S -0.00000 -0.00000 0.00003 0.00000 0.00003 62 7PX 0.00000 -0.00000 -0.00004 -0.00001 0.00000 63 7PY 0.00000 0.00000 -0.00000 0.00001 0.00000 64 7PZ -0.00004 -0.00020 -0.00000 -0.00000 0.00000 65 8PX -0.00000 -0.00000 -0.00001 -0.00000 0.00000 66 8PY 0.00000 -0.00000 0.00000 -0.00002 0.00000 67 8PZ -0.00000 -0.00002 -0.00000 -0.00000 0.00000 68 9PX -0.00000 0.00000 -0.00018 -0.00000 0.00000 69 9PY 0.00000 -0.00000 0.00000 -0.00026 0.00000 70 9PZ -0.00005 -0.00025 -0.00000 -0.00000 0.00000 71 10PX 0.00000 -0.00000 0.00140 0.00000 0.00000 72 10PY -0.00000 0.00000 0.00008 0.00199 0.00000 73 10PZ 0.00043 0.00193 0.00000 0.00000 0.00000 74 11PX -0.00000 -0.00000 0.00411 -0.00006 0.00000 75 11PY -0.00000 -0.00000 0.00008 0.00433 0.00000 76 11PZ 0.00189 0.00871 0.00000 0.00000 0.00000 77 12PX -0.00000 0.00000 0.00062 -0.00002 0.00000 78 12PY -0.00000 -0.00000 -0.00002 0.00016 0.00000 79 12PZ 0.00074 0.00376 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 -0.00001 0.00002 0.00000 81 13D+1 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 82 13D-1 0.00002 0.00002 0.00000 -0.00000 -0.00000 83 13D+2 0.00000 0.00000 -0.00002 0.00005 -0.00000 84 13D-2 0.00000 -0.00000 0.00008 0.00000 -0.00000 85 14D 0 0.00000 0.00000 -0.00000 -0.00001 0.00000 86 14D+1 0.00002 -0.00015 -0.00000 -0.00000 -0.00000 87 14D-1 0.00019 0.00022 -0.00000 -0.00000 -0.00000 88 14D+2 0.00000 0.00000 -0.00034 0.00045 -0.00000 89 14D-2 0.00000 -0.00000 0.00036 -0.00005 -0.00000 90 4 H 1S 0.00000 0.00000 0.00008 0.00007 0.00000 91 2S 0.00000 -0.00000 0.00052 0.00047 0.00001 92 3S 0.00000 0.00000 0.00034 -0.00002 -0.00003 93 4PX 0.00000 0.00000 0.00002 0.00007 0.00000 94 4PY -0.00000 0.00000 -0.00002 0.00001 0.00000 95 4PZ 0.00001 0.00002 0.00000 0.00000 0.00000 96 5 H 1S 0.00062 0.00040 -0.00002 0.00013 -0.00000 97 2S 0.00073 0.00071 0.00001 0.00015 0.00000 98 3S 0.00007 0.00036 0.00000 0.00007 0.00000 99 4PX -0.00005 0.00001 -0.00004 -0.00005 -0.00000 100 4PY 0.00003 0.00001 -0.00005 0.00003 0.00000 101 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 102 6 H 1S 0.00062 0.00040 -0.00002 0.00013 -0.00000 103 2S 0.00073 0.00071 0.00001 0.00015 0.00000 104 3S 0.00007 0.00036 0.00000 0.00007 0.00000 105 4PX -0.00005 0.00001 -0.00004 -0.00005 -0.00000 106 4PY 0.00003 0.00001 -0.00005 0.00003 0.00000 107 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.00000 0.00000 -0.00001 0.00045 0.00000 109 2S -0.00000 -0.00000 -0.00014 0.00185 0.00000 110 3S -0.00000 -0.00000 -0.00018 0.00062 -0.00000 111 4PX -0.00000 0.00000 0.00002 0.00007 0.00000 112 4PY -0.00000 -0.00000 0.00001 0.00001 0.00000 113 4PZ 0.00003 -0.00000 0.00000 0.00000 0.00000 114 8 H 1S 0.00034 0.00004 0.00006 0.00015 -0.00000 115 2S 0.00131 0.00017 0.00020 0.00059 -0.00000 116 3S 0.00043 0.00008 0.00001 0.00017 -0.00000 117 4PX 0.00005 0.00001 0.00002 0.00004 -0.00000 118 4PY 0.00003 -0.00000 0.00001 0.00000 0.00000 119 4PZ 0.00001 0.00000 0.00001 0.00003 -0.00000 120 9 H 1S 0.00034 0.00004 0.00006 0.00015 -0.00000 121 2S 0.00131 0.00017 0.00020 0.00059 -0.00000 122 3S 0.00043 0.00008 0.00001 0.00017 -0.00000 123 4PX 0.00005 0.00001 0.00002 0.00004 -0.00000 124 4PY 0.00003 -0.00000 0.00001 0.00000 0.00000 125 4PZ 0.00001 0.00000 0.00001 0.00003 -0.00000 56 57 58 59 60 56 2S 1.08220 57 3S -0.20606 0.63358 58 4S -0.15188 0.65887 0.98013 59 5S 0.01114 -0.08835 -0.27960 0.91879 60 6S 0.00544 -0.04219 -0.13331 0.54574 0.58761 61 7S 0.00031 -0.00240 -0.00767 0.03682 0.05781 62 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 69 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 72 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 75 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 0.00000 0.00000 0.00000 78 12PY 0.00000 0.00000 0.00000 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 81 13D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 82 13D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 83 13D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 84 13D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 85 14D 0 0.00000 -0.00000 -0.00000 0.00000 -0.00000 86 14D+1 -0.00000 0.00000 0.00000 -0.00000 0.00000 87 14D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 88 14D+2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 89 14D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 90 4 H 1S 0.00000 -0.00002 -0.00019 0.00567 -0.00223 91 2S 0.00010 -0.00078 -0.00255 0.01380 -0.02701 92 3S -0.00028 0.00218 0.00694 -0.03055 -0.06236 93 4PX 0.00002 -0.00022 -0.00091 0.00479 0.00072 94 4PY 0.00000 -0.00003 -0.00014 0.00077 0.00042 95 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 96 5 H 1S -0.00000 0.00000 0.00000 -0.00001 0.00006 97 2S 0.00000 -0.00000 0.00000 -0.00017 0.00120 98 3S 0.00002 -0.00018 -0.00056 0.00259 0.00940 99 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 100 4PY 0.00000 -0.00000 -0.00000 0.00001 -0.00010 101 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 102 6 H 1S -0.00000 0.00000 0.00000 -0.00001 0.00006 103 2S 0.00000 -0.00000 0.00000 -0.00017 0.00120 104 3S 0.00002 -0.00018 -0.00056 0.00259 0.00940 105 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 106 4PY 0.00000 -0.00000 -0.00000 0.00001 -0.00010 107 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00001 108 7 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00002 109 2S 0.00000 -0.00000 -0.00000 0.00000 0.00018 110 3S -0.00000 0.00000 -0.00000 0.00012 0.00040 111 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 113 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 8 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00004 115 2S -0.00000 0.00000 0.00000 -0.00004 -0.00017 116 3S -0.00000 0.00002 0.00007 -0.00042 -0.00017 117 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00002 118 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 119 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 120 9 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00004 121 2S -0.00000 0.00000 0.00000 -0.00004 -0.00017 122 3S -0.00000 0.00002 0.00007 -0.00042 -0.00017 123 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00002 124 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 61 62 63 64 65 61 7S 0.01488 62 7PX 0.00000 0.00093 63 7PY 0.00000 0.00000 0.00238 64 7PZ 0.00000 0.00000 0.00000 0.00361 65 8PX 0.00000 0.00000 0.00000 0.00000 0.29867 66 8PY 0.00000 0.00000 0.00002 0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00002 0.00000 68 9PX 0.00000 0.00006 0.00000 0.00000 0.31903 69 9PY 0.00000 0.00000 0.00024 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00031 0.00000 71 10PX 0.00000 -0.00095 -0.00000 -0.00000 0.00113 72 10PY 0.00000 -0.00000 -0.00160 -0.00000 -0.00000 73 10PZ 0.00000 -0.00000 -0.00000 -0.00288 0.00000 74 11PX 0.00000 -0.00472 -0.00000 -0.00000 -0.00228 75 11PY 0.00000 -0.00000 -0.00926 -0.00000 -0.00000 76 11PZ 0.00000 -0.00000 -0.00000 -0.01777 -0.00000 77 12PX 0.00000 -0.00413 -0.00000 -0.00000 -0.00010 78 12PY 0.00000 -0.00000 -0.00844 -0.00000 -0.00000 79 12PZ 0.00000 -0.00000 -0.00000 -0.02760 -0.00000 80 13D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 84 13D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 85 14D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 89 14D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 90 4 H 1S -0.00043 -0.00092 -0.00008 -0.00000 -0.00001 91 2S -0.00323 -0.00387 -0.00044 -0.00000 -0.00033 92 3S -0.00823 -0.00286 -0.00048 -0.00000 -0.00010 93 4PX 0.00002 0.00006 -0.00000 -0.00000 -0.00004 94 4PY 0.00002 -0.00000 -0.00006 -0.00000 -0.00000 95 4PZ 0.00000 -0.00000 -0.00000 -0.00018 -0.00000 96 5 H 1S -0.00081 -0.00004 -0.00020 0.00012 0.00000 97 2S -0.00273 -0.00015 -0.00064 0.00061 -0.00000 98 3S 0.00042 -0.00015 0.00115 0.00155 0.00000 99 4PX -0.00000 0.00001 -0.00001 -0.00000 0.00000 100 4PY -0.00003 -0.00000 -0.00001 0.00000 -0.00000 101 4PZ -0.00003 -0.00000 -0.00001 -0.00001 -0.00000 102 6 H 1S -0.00081 -0.00004 -0.00020 0.00012 0.00000 103 2S -0.00273 -0.00015 -0.00064 0.00061 -0.00000 104 3S 0.00042 -0.00015 0.00115 0.00155 0.00000 105 4PX -0.00000 0.00001 -0.00001 -0.00000 0.00000 106 4PY -0.00003 -0.00000 -0.00001 0.00000 -0.00000 107 4PZ -0.00003 -0.00000 -0.00001 -0.00001 -0.00000 108 7 H 1S 0.00011 0.00001 -0.00008 0.00000 -0.00000 109 2S 0.00049 -0.00000 -0.00036 -0.00000 -0.00000 110 3S 0.00050 -0.00021 -0.00041 -0.00000 -0.00000 111 4PX 0.00002 0.00001 0.00001 -0.00000 0.00000 112 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 113 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 114 8 H 1S -0.00038 -0.00006 -0.00006 0.00001 0.00000 115 2S -0.00147 -0.00025 -0.00018 -0.00001 0.00000 116 3S -0.00138 -0.00037 -0.00008 -0.00021 0.00000 117 4PX 0.00002 0.00001 0.00001 -0.00000 0.00000 118 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4PZ -0.00001 -0.00000 -0.00000 -0.00000 0.00000 120 9 H 1S -0.00038 -0.00006 -0.00006 0.00001 0.00000 121 2S -0.00147 -0.00025 -0.00018 -0.00001 0.00000 122 3S -0.00138 -0.00037 -0.00008 -0.00021 0.00000 123 4PX 0.00002 0.00001 0.00001 -0.00000 0.00000 124 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 125 4PZ -0.00001 -0.00000 -0.00000 -0.00000 0.00000 66 67 68 69 70 66 8PY 0.30054 67 8PZ 0.00000 0.30763 68 9PX 0.00000 0.00000 1.04873 69 9PY 0.32090 0.00000 0.00000 1.05444 70 9PZ 0.00000 0.32822 0.00000 0.00000 1.07767 71 10PX -0.00000 -0.00000 0.00911 -0.00000 -0.00000 72 10PY 0.00062 -0.00000 -0.00000 0.00473 -0.00000 73 10PZ 0.00000 -0.00164 0.00000 0.00000 -0.01505 74 11PX -0.00000 -0.00000 -0.02730 -0.00000 -0.00000 75 11PY -0.00278 -0.00000 -0.00000 -0.03322 -0.00000 76 11PZ 0.00000 -0.00417 -0.00000 -0.00000 -0.04957 77 12PX -0.00000 -0.00000 -0.00143 -0.00000 -0.00000 78 12PY -0.00019 -0.00000 -0.00000 -0.00263 -0.00000 79 12PZ 0.00000 -0.00051 -0.00000 -0.00000 -0.00688 80 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 84 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 85 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 89 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 90 4 H 1S -0.00000 -0.00000 -0.00041 -0.00004 -0.00000 91 2S -0.00004 -0.00000 -0.00458 -0.00053 -0.00000 92 3S -0.00001 -0.00000 -0.00133 -0.00012 -0.00000 93 4PX -0.00001 -0.00000 -0.00060 -0.00010 -0.00000 94 4PY -0.00000 -0.00000 -0.00007 -0.00001 -0.00000 95 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00009 96 5 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 97 2S 0.00000 0.00000 -0.00000 0.00001 0.00001 98 3S 0.00001 0.00001 0.00000 0.00020 0.00014 99 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 100 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 102 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 103 2S 0.00000 0.00000 -0.00000 0.00001 0.00001 104 3S 0.00001 0.00001 0.00000 0.00020 0.00014 105 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 106 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 108 7 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 3S -0.00000 -0.00000 -0.00001 -0.00001 -0.00000 111 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 112 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 113 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 114 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 115 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 116 3S 0.00000 -0.00000 0.00001 0.00001 -0.00001 117 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 120 9 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 121 2S 0.00000 -0.00000 0.00000 0.00000 -0.00000 122 3S 0.00000 -0.00000 0.00001 0.00001 -0.00001 123 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 124 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 125 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 10PX 0.10627 72 10PY 0.00000 0.11802 73 10PZ 0.00000 0.00000 0.16764 74 11PX 0.11759 0.00000 0.00000 0.28199 75 11PY 0.00000 0.14400 0.00000 0.00000 0.37754 76 11PZ 0.00000 0.00000 0.23218 0.00000 0.00000 77 12PX 0.01235 0.00000 0.00000 0.05309 0.00000 78 12PY 0.00000 0.01910 0.00000 0.00000 0.09071 79 12PZ 0.00000 0.00000 0.05003 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 84 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 85 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 89 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 90 4 H 1S 0.00819 0.00077 0.00000 0.04098 0.00365 91 2S 0.03178 0.00371 0.00000 0.11317 0.01304 92 3S 0.00839 0.00084 0.00000 0.03716 0.00375 93 4PX 0.00387 0.00071 0.00000 0.00595 0.00147 94 4PY 0.00050 0.00016 0.00000 0.00106 0.00108 95 4PZ 0.00000 0.00000 0.00099 0.00000 0.00000 96 5 H 1S -0.00000 -0.00000 -0.00000 -0.00002 -0.00043 97 2S 0.00000 -0.00023 -0.00014 -0.00002 -0.00289 98 3S 0.00000 -0.00157 -0.00112 -0.00004 -0.00947 99 4PX -0.00000 0.00000 0.00000 -0.00001 0.00005 100 4PY 0.00000 0.00002 0.00000 0.00005 0.00054 101 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 102 6 H 1S -0.00000 -0.00000 -0.00000 -0.00002 -0.00043 103 2S 0.00000 -0.00023 -0.00014 -0.00002 -0.00289 104 3S 0.00000 -0.00157 -0.00112 -0.00004 -0.00947 105 4PX -0.00000 0.00000 0.00000 -0.00001 0.00005 106 4PY 0.00000 0.00002 0.00000 0.00005 0.00054 107 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00003 108 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 109 2S 0.00000 0.00000 0.00000 0.00004 0.00006 110 3S 0.00007 0.00007 0.00000 0.00068 0.00067 111 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 112 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 113 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 114 8 H 1S -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 115 2S -0.00001 -0.00000 0.00000 -0.00029 -0.00013 116 3S -0.00007 -0.00008 0.00007 -0.00055 -0.00053 117 4PX -0.00000 -0.00000 0.00000 -0.00001 -0.00001 118 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 9 H 1S -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 121 2S -0.00001 -0.00000 0.00000 -0.00029 -0.00013 122 3S -0.00007 -0.00008 0.00007 -0.00055 -0.00053 123 4PX -0.00000 -0.00000 0.00000 -0.00001 -0.00001 124 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 76 77 78 79 80 76 11PZ 0.66776 77 12PX 0.00000 0.02871 78 12PY 0.00000 0.00000 0.05879 79 12PZ 0.26346 0.00000 0.00000 0.27507 80 13D 0 0.00000 0.00000 0.00000 0.00000 0.00083 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 84 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 85 14D 0 0.00000 0.00000 0.00000 0.00000 0.00050 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 89 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 90 4 H 1S 0.00000 0.01017 0.00150 0.00000 0.00021 91 2S 0.00000 0.03612 0.00631 0.00000 0.00052 92 3S 0.00000 0.01958 0.00293 0.00000 0.00004 93 4PX 0.00000 -0.00020 0.00020 0.00000 0.00013 94 4PY 0.00000 0.00008 0.00036 0.00000 0.00000 95 4PZ 0.00498 -0.00000 0.00000 0.00261 0.00000 96 5 H 1S -0.00021 0.00001 -0.00205 -0.00167 -0.00000 97 2S -0.00215 0.00019 -0.00670 -0.00732 -0.00000 98 3S -0.00752 0.00028 -0.00981 -0.01370 -0.00001 99 4PX 0.00001 -0.00003 0.00004 0.00002 0.00000 100 4PY 0.00001 0.00001 0.00024 -0.00005 0.00000 101 4PZ -0.00000 0.00000 -0.00008 0.00007 -0.00000 102 6 H 1S -0.00021 0.00001 -0.00205 -0.00167 -0.00000 103 2S -0.00215 0.00019 -0.00670 -0.00732 -0.00000 104 3S -0.00752 0.00028 -0.00981 -0.01370 -0.00001 105 4PX 0.00001 -0.00003 0.00004 0.00002 0.00000 106 4PY 0.00001 0.00001 0.00024 -0.00005 0.00000 107 4PZ -0.00000 0.00000 -0.00008 0.00007 -0.00000 108 7 H 1S 0.00000 0.00020 0.00025 0.00000 -0.00000 109 2S 0.00000 0.00101 0.00141 0.00000 -0.00000 110 3S 0.00000 0.00178 0.00196 0.00000 -0.00000 111 4PX -0.00000 -0.00001 0.00002 -0.00000 0.00000 112 4PY -0.00000 0.00002 0.00003 -0.00000 0.00000 113 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 114 8 H 1S -0.00000 -0.00021 -0.00012 0.00001 -0.00000 115 2S 0.00002 -0.00083 -0.00059 0.00027 -0.00000 116 3S 0.00061 -0.00023 -0.00090 0.00180 -0.00000 117 4PX 0.00000 -0.00005 -0.00003 0.00002 0.00000 118 4PY 0.00000 -0.00000 0.00000 0.00001 0.00000 119 4PZ -0.00000 -0.00001 -0.00000 0.00001 0.00000 120 9 H 1S -0.00000 -0.00021 -0.00012 0.00001 -0.00000 121 2S 0.00002 -0.00083 -0.00059 0.00027 -0.00000 122 3S 0.00061 -0.00023 -0.00090 0.00180 -0.00000 123 4PX 0.00000 -0.00005 -0.00003 0.00002 0.00000 124 4PY 0.00000 -0.00000 0.00000 0.00001 0.00000 125 4PZ -0.00000 -0.00001 -0.00000 0.00001 0.00000 81 82 83 84 85 81 13D+1 0.00005 82 13D-1 -0.00000 0.00026 83 13D+2 0.00000 0.00000 0.00198 84 13D-2 0.00000 0.00000 0.00000 0.00127 85 14D 0 0.00000 0.00000 -0.00000 -0.00000 0.00163 86 14D+1 0.00007 -0.00000 0.00000 0.00000 0.00000 87 14D-1 -0.00000 0.00030 -0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00151 -0.00000 0.00000 89 14D-2 0.00000 0.00000 -0.00000 0.00097 -0.00000 90 4 H 1S 0.00000 -0.00000 0.00049 0.00025 0.00120 91 2S 0.00000 -0.00000 0.00115 0.00058 0.00217 92 3S 0.00000 -0.00000 0.00011 0.00006 0.00019 93 4PX 0.00000 -0.00000 0.00021 0.00014 0.00013 94 4PY 0.00000 0.00000 0.00007 -0.00002 -0.00000 95 4PZ 0.00001 0.00000 -0.00000 0.00000 0.00000 96 5 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 97 2S 0.00000 0.00002 0.00002 -0.00000 -0.00001 98 3S 0.00000 0.00001 -0.00001 -0.00001 -0.00009 99 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 100 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 101 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 102 6 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 103 2S 0.00000 0.00002 0.00002 -0.00000 -0.00001 104 3S 0.00000 0.00001 -0.00001 -0.00001 -0.00009 105 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 106 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 107 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 108 7 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 110 3S -0.00000 0.00000 -0.00000 0.00000 -0.00001 111 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 112 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 8 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 2S 0.00000 -0.00000 0.00000 -0.00000 0.00001 116 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00001 117 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 118 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 119 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 120 9 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 121 2S 0.00000 -0.00000 0.00000 -0.00000 0.00001 122 3S -0.00000 -0.00000 0.00000 -0.00000 -0.00001 123 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 124 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 125 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 86 87 88 89 90 86 14D+1 0.00062 87 14D-1 0.00000 0.00165 88 14D+2 0.00000 -0.00000 0.00626 89 14D-2 0.00000 0.00000 0.00000 0.00376 90 4 H 1S 0.00000 -0.00000 0.00336 0.00203 0.07346 91 2S 0.00000 -0.00000 0.00562 0.00335 0.08500 92 3S 0.00000 -0.00000 0.00089 0.00055 0.01731 93 4PX 0.00000 -0.00000 0.00013 0.00027 0.00000 94 4PY 0.00000 -0.00000 0.00034 -0.00021 0.00000 95 4PZ 0.00024 0.00006 -0.00000 0.00000 0.00000 96 5 H 1S 0.00001 0.00013 0.00007 -0.00002 -0.00000 97 2S 0.00006 0.00079 0.00045 -0.00008 -0.00001 98 3S 0.00005 0.00025 -0.00022 -0.00009 -0.00011 99 4PX 0.00000 -0.00001 0.00001 0.00000 -0.00000 100 4PY 0.00000 0.00004 0.00008 0.00002 -0.00000 101 4PZ 0.00000 0.00000 0.00002 -0.00000 -0.00000 102 6 H 1S 0.00001 0.00013 0.00007 -0.00002 -0.00000 103 2S 0.00006 0.00079 0.00045 -0.00008 -0.00001 104 3S 0.00005 0.00025 -0.00022 -0.00009 -0.00011 105 4PX 0.00000 -0.00001 0.00001 0.00000 -0.00000 106 4PY 0.00000 0.00004 0.00008 0.00002 -0.00000 107 4PZ 0.00000 0.00000 0.00002 -0.00000 -0.00000 108 7 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 109 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 110 3S -0.00000 0.00000 -0.00001 0.00004 -0.00000 111 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 112 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 114 8 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 2S 0.00003 -0.00001 0.00004 -0.00005 0.00000 116 3S -0.00000 -0.00003 0.00003 -0.00008 -0.00000 117 4PX 0.00000 -0.00000 0.00001 0.00000 0.00000 118 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 119 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 120 9 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 121 2S 0.00003 -0.00001 0.00004 -0.00005 0.00000 122 3S -0.00000 -0.00003 0.00003 -0.00008 -0.00000 123 4PX 0.00000 -0.00000 0.00001 0.00000 0.00000 124 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 125 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 91 92 93 94 95 91 2S 0.20045 92 3S 0.06423 0.04336 93 4PX 0.00000 0.00000 0.00276 94 4PY 0.00000 0.00000 0.00000 0.00045 95 4PZ 0.00000 0.00000 0.00000 0.00000 0.00092 96 5 H 1S -0.00001 -0.00009 -0.00000 -0.00000 -0.00000 97 2S -0.00027 -0.00070 -0.00001 -0.00000 -0.00001 98 3S -0.00103 -0.00129 -0.00004 -0.00004 -0.00007 99 4PX -0.00000 -0.00002 -0.00000 0.00000 0.00000 100 4PY -0.00000 -0.00003 0.00000 0.00000 -0.00000 101 4PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 102 6 H 1S -0.00001 -0.00009 -0.00000 -0.00000 -0.00000 103 2S -0.00027 -0.00070 -0.00001 -0.00000 -0.00001 104 3S -0.00103 -0.00129 -0.00004 -0.00004 -0.00007 105 4PX -0.00000 -0.00002 -0.00000 0.00000 0.00000 106 4PY -0.00000 -0.00003 0.00000 0.00000 -0.00000 107 4PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 108 7 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 109 2S -0.00000 -0.00003 0.00000 0.00000 0.00000 110 3S -0.00004 -0.00021 -0.00000 0.00000 -0.00000 111 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 112 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 113 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 114 8 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 115 2S 0.00000 0.00002 -0.00000 -0.00000 -0.00000 116 3S -0.00001 0.00003 -0.00000 -0.00000 0.00000 117 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 118 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 9 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 121 2S 0.00000 0.00002 -0.00000 -0.00000 -0.00000 122 3S -0.00001 0.00003 -0.00000 -0.00000 0.00000 123 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 124 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 96 97 98 99 100 96 5 H 1S 0.08370 97 2S 0.08478 0.17343 98 3S 0.01624 0.05200 0.04301 99 4PX 0.00000 0.00000 0.00000 0.00044 100 4PY 0.00000 0.00000 0.00000 0.00000 0.00067 101 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 6 H 1S -0.00001 -0.00084 -0.00309 -0.00000 -0.00000 103 2S -0.00084 -0.00662 -0.01285 -0.00000 -0.00000 104 3S -0.00309 -0.01285 -0.01406 -0.00000 -0.00000 105 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 106 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 4PZ 0.00004 0.00031 -0.00015 0.00000 0.00000 108 7 H 1S -0.00000 -0.00002 -0.00031 -0.00000 0.00000 109 2S -0.00002 -0.00026 -0.00150 -0.00001 -0.00000 110 3S -0.00024 -0.00096 -0.00184 -0.00005 -0.00000 111 4PX -0.00000 -0.00001 -0.00007 0.00000 -0.00000 112 4PY -0.00000 -0.00000 -0.00001 -0.00000 0.00000 113 4PZ -0.00000 -0.00000 -0.00002 -0.00000 0.00000 114 8 H 1S -0.00000 -0.00002 -0.00032 -0.00000 -0.00000 115 2S -0.00002 -0.00025 -0.00141 -0.00001 -0.00001 116 3S -0.00042 -0.00201 -0.00352 -0.00007 -0.00004 117 4PX -0.00000 -0.00001 -0.00006 0.00000 -0.00000 118 4PY -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 119 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 120 9 H 1S 0.00000 0.00000 0.00029 -0.00000 0.00000 121 2S 0.00000 0.00009 0.00164 -0.00000 -0.00000 122 3S 0.00031 0.00168 0.00377 0.00001 0.00001 123 4PX -0.00000 -0.00000 0.00002 0.00000 -0.00000 124 4PY 0.00000 0.00000 0.00001 -0.00000 -0.00000 125 4PZ 0.00000 0.00000 0.00002 -0.00000 -0.00000 101 102 103 104 105 101 4PZ 0.00108 102 6 H 1S 0.00004 0.08370 103 2S 0.00031 0.08478 0.17343 104 3S -0.00015 0.01624 0.05200 0.04301 105 4PX 0.00000 0.00000 0.00000 0.00000 0.00044 106 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 107 4PZ 0.00007 0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.00000 -0.00000 -0.00002 -0.00031 -0.00000 109 2S -0.00000 -0.00002 -0.00026 -0.00150 -0.00001 110 3S -0.00001 -0.00024 -0.00096 -0.00184 -0.00005 111 4PX -0.00000 -0.00000 -0.00001 -0.00007 0.00000 112 4PY -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 113 4PZ -0.00000 -0.00000 -0.00000 -0.00002 -0.00000 114 8 H 1S -0.00000 0.00000 0.00000 0.00029 -0.00000 115 2S -0.00000 0.00000 0.00009 0.00164 -0.00000 116 3S -0.00000 0.00031 0.00168 0.00377 0.00001 117 4PX -0.00000 -0.00000 -0.00000 0.00002 0.00000 118 4PY -0.00000 0.00000 0.00000 0.00001 -0.00000 119 4PZ 0.00000 0.00000 0.00000 0.00002 -0.00000 120 9 H 1S 0.00000 -0.00000 -0.00002 -0.00032 -0.00000 121 2S 0.00000 -0.00002 -0.00025 -0.00141 -0.00001 122 3S 0.00002 -0.00042 -0.00201 -0.00352 -0.00007 123 4PX -0.00000 -0.00000 -0.00001 -0.00006 0.00000 124 4PY -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 125 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 107 108 109 110 106 4PY 0.00067 107 4PZ 0.00000 0.00108 108 7 H 1S 0.00000 -0.00000 0.08298 109 2S -0.00000 -0.00000 0.08327 0.16890 110 3S -0.00000 -0.00001 0.01528 0.04794 0.02678 111 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 112 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 113 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 114 8 H 1S 0.00000 0.00000 -0.00001 -0.00065 -0.00200 115 2S -0.00000 0.00000 -0.00061 -0.00471 -0.00758 116 3S 0.00001 0.00002 -0.00176 -0.00674 -0.00495 117 4PX -0.00000 -0.00000 0.00000 0.00002 0.00001 118 4PY -0.00000 -0.00000 0.00006 0.00050 0.00013 119 4PZ -0.00000 -0.00000 -0.00001 -0.00013 -0.00015 120 9 H 1S -0.00000 -0.00000 -0.00001 -0.00065 -0.00200 121 2S -0.00001 -0.00000 -0.00061 -0.00471 -0.00758 122 3S -0.00004 -0.00000 -0.00176 -0.00674 -0.00495 123 4PX -0.00000 -0.00000 0.00000 0.00002 0.00001 124 4PY -0.00000 -0.00000 0.00006 0.00050 0.00013 125 4PZ 0.00000 0.00000 -0.00001 -0.00013 -0.00015 111 112 113 114 115 111 4PX 0.00052 112 4PY -0.00000 0.00118 113 4PZ 0.00000 0.00000 0.00032 114 8 H 1S -0.00000 0.00002 0.00003 0.08312 115 2S -0.00002 0.00008 0.00034 0.08230 0.16405 116 3S -0.00001 -0.00013 0.00015 0.01420 0.04355 117 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 118 4PY 0.00000 0.00004 0.00002 0.00000 0.00000 119 4PZ -0.00000 0.00001 0.00000 0.00000 0.00000 120 9 H 1S -0.00000 0.00002 0.00003 -0.00001 -0.00061 121 2S -0.00002 0.00008 0.00034 -0.00061 -0.00430 122 3S -0.00001 -0.00013 0.00015 -0.00221 -0.00810 123 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 4PY 0.00000 0.00004 0.00002 -0.00000 -0.00000 125 4PZ -0.00000 0.00001 0.00000 0.00005 0.00041 116 117 118 119 120 116 3S 0.02532 117 4PX 0.00000 0.00042 118 4PY 0.00000 0.00000 0.00058 119 4PZ 0.00000 -0.00000 -0.00000 0.00101 120 9 H 1S -0.00221 -0.00000 -0.00000 0.00005 0.08312 121 2S -0.00810 -0.00000 -0.00000 0.00041 0.08230 122 3S -0.00722 -0.00000 -0.00000 -0.00003 0.01420 123 4PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 124 4PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 125 4PZ -0.00003 -0.00000 0.00000 0.00007 0.00000 121 122 123 124 125 121 2S 0.16405 122 3S 0.04355 0.02532 123 4PX 0.00000 0.00000 0.00042 124 4PY 0.00000 0.00000 0.00000 0.00058 125 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00101 Gross orbital populations: 1 1 1 C 1S 1.10314 2 2S 0.88556 3 2PX 0.20835 4 2PY 0.22477 5 2PZ 0.22635 6 3S 0.74323 7 3PX 0.48905 8 3PY 0.49351 9 3PZ 0.49618 10 4S 0.46899 11 4PX 0.24980 12 4PY 0.31378 13 4PZ 0.32068 14 5S 0.15829 15 5PX 0.01389 16 5PY 0.02098 17 5PZ 0.01289 18 6D 0 0.00264 19 6D+1 0.00188 20 6D-1 0.00255 21 6D+2 0.00299 22 6D-2 0.00232 23 7D 0 0.00296 24 7D+1 0.01786 25 7D-1 0.00517 26 7D+2 0.00927 27 7D-2 0.01157 28 2 C 1S 1.10333 29 2S 0.88557 30 2PX 0.21284 31 2PY 0.18651 32 2PZ 0.23315 33 3S 0.75684 34 3PX 0.50294 35 3PY 0.45588 36 3PZ 0.50807 37 4S 0.42314 38 4PX 0.25241 39 4PY 0.27479 40 4PZ 0.28052 41 5S -0.12156 42 5PX -0.00086 43 5PY -0.03180 44 5PZ 0.01433 45 6D 0 0.00246 46 6D+1 0.00198 47 6D-1 0.00374 48 6D+2 0.00291 49 6D-2 0.00219 50 7D 0 0.01007 51 7D+1 0.02182 52 7D-1 0.01975 53 7D+2 0.01700 54 7D-2 0.02650 55 3 S 1S 0.77454 56 2S 1.19211 57 3S 0.92919 58 4S 1.05879 59 5S 1.10286 60 6S 0.82230 61 7S 0.04942 62 7PX -0.01347 63 7PY -0.02470 64 7PZ -0.03984 65 8PX 0.61594 66 8PY 0.61875 67 8PZ 0.62955 68 9PX 1.34061 69 9PY 1.33921 70 9PZ 1.33453 71 10PX 0.30404 72 10PY 0.32936 73 10PZ 0.43174 74 11PX 0.63845 75 11PY 0.75036 76 11PZ 1.08968 77 12PX 0.13409 78 12PY 0.16976 79 12PZ 0.50479 80 13D 0 0.00273 81 13D+1 0.00019 82 13D-1 0.00094 83 13D+2 0.00672 84 13D-2 0.00430 85 14D 0 0.01093 86 14D+1 0.00214 87 14D-1 0.01070 88 14D+2 0.03499 89 14D-2 0.02299 90 4 H 1S 0.24820 91 2S 0.53078 92 3S 0.09807 93 4PX 0.01942 94 4PY 0.00514 95 4PZ 0.00943 96 5 H 1S 0.28146 97 2S 0.50440 98 3S 0.06601 99 4PX 0.00586 100 4PY 0.00817 101 4PZ 0.01195 102 6 H 1S 0.28146 103 2S 0.50440 104 3S 0.06601 105 4PX 0.00586 106 4PY 0.00817 107 4PZ 0.01195 108 7 H 1S 0.27904 109 2S 0.49621 110 3S 0.08153 111 4PX 0.00647 112 4PY 0.01272 113 4PZ 0.00513 114 8 H 1S 0.27956 115 2S 0.49234 116 3S 0.07358 117 4PX 0.00573 118 4PY 0.00747 119 4PZ 0.01143 120 9 H 1S 0.27956 121 2S 0.49234 122 3S 0.07358 123 4PX 0.00573 124 4PY 0.00747 125 4PZ 0.01143 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.105532 0.163553 0.047031 0.019269 -0.042697 -0.042697 2 C 0.163553 5.075171 0.080749 -0.024261 0.427842 0.427842 3 S 0.047031 0.080749 15.891921 0.269204 -0.052495 -0.052495 4 H 0.019269 -0.024261 0.269204 0.654492 -0.003736 -0.003736 5 H -0.042697 0.427842 -0.052495 -0.003736 0.608355 -0.053752 6 H -0.042697 0.427842 -0.052495 -0.003736 -0.053752 0.608355 7 H 0.396264 -0.030789 0.009064 -0.000284 -0.005335 -0.005335 8 H 0.421205 -0.037787 -0.007139 0.000047 -0.008199 0.007877 9 H 0.421205 -0.037787 -0.007139 0.000047 0.007877 -0.008199 7 8 9 1 C 0.396264 0.421205 0.421205 2 C -0.030789 -0.037787 -0.037787 3 S 0.009064 -0.007139 -0.007139 4 H -0.000284 0.000047 0.000047 5 H -0.005335 -0.008199 0.007877 6 H -0.005335 0.007877 -0.008199 7 H 0.573662 -0.028073 -0.028073 8 H -0.028073 0.554596 -0.032412 9 H -0.028073 -0.032412 0.554596 Mulliken charges: 1 1 C -0.488665 2 C -0.044534 3 S -0.178702 4 H 0.088957 5 H 0.122139 6 H 0.122139 7 H 0.118899 8 H 0.129884 9 H 0.129884 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.110000 2 C 0.199745 3 S -0.089745 Electronic spatial extent (au): = 301.3749 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0473 Y= 1.7165 Z= -0.0000 Tot= 1.7171 Quadrupole moment (field-independent basis, Debye-Ang): XX= -25.2031 YY= -28.5489 ZZ= -29.4772 XY= -0.2358 XZ= -0.0000 YZ= -0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 2.5400 YY= -0.8058 ZZ= -1.7342 XY= -0.2358 XZ= -0.0000 YZ= -0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -7.1375 YYY= 2.5398 ZZZ= -0.0000 XYY= 0.1230 XXY= -0.9752 XXZ= -0.0000 XZZ= 1.6034 YZZ= 2.8807 YYZ= -0.0000 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -209.4312 YYYY= -160.4855 ZZZZ= -53.5226 XXXY= -47.7977 XXXZ= -0.0000 YYYX= -48.7880 YYYZ= -0.0000 ZZZX= 0.0000 ZZZY= -0.0000 XXYY= -60.8870 XXZZ= -46.3006 YYZZ= -37.6197 XXYZ= -0.0000 YYXZ= 0.0000 ZZXY= -20.3958 N-N= 1.069223238851D+02 E-N=-1.345564816379D+03 KE= 4.770669639915D+02 Symmetry A' KE= 4.342284630538D+02 Symmetry A" KE= 4.283850093770D+01 Orbital energies and kinetic energies (alpha): 1 2 1 O -88.841603 121.052711 2 O -10.206465 15.959855 3 O -10.173437 15.955602 4 O -7.928035 18.422187 5 O -5.891902 17.570052 6 O -5.888510 17.579914 7 O -5.881763 17.600233 8 O -0.803707 1.576773 9 O -0.708429 1.881619 10 O -0.607384 1.527679 11 O -0.467152 0.939914 12 O -0.462751 1.162072 13 O -0.398297 1.249365 14 O -0.371749 1.470472 15 O -0.371094 1.081323 16 O -0.328963 1.705930 17 O -0.239845 1.797781 18 V -0.010939 0.646581 19 V 0.013240 0.673683 20 V 0.020642 0.459463 21 V 0.039549 0.275375 22 V 0.040572 0.533203 23 V 0.057726 0.464618 24 V 0.071785 0.248815 25 V 0.074846 0.247828 26 V 0.080313 0.400737 27 V 0.084615 0.298589 28 V 0.095429 0.630600 29 V 0.113399 0.713460 30 V 0.130305 0.385362 31 V 0.142039 0.645480 32 V 0.156718 0.706823 33 V 0.176339 0.741299 34 V 0.186214 0.815128 35 V 0.216773 1.192988 36 V 0.237245 0.814537 37 V 0.271471 0.811180 38 V 0.311619 1.021472 39 V 0.320900 1.238017 40 V 0.335671 1.131176 41 V 0.357835 1.100425 42 V 0.366402 1.024296 43 V 0.379267 1.281760 44 V 0.398061 1.236539 45 V 0.421477 0.949792 46 V 0.424717 1.067820 47 V 0.451184 1.303075 48 V 0.521625 1.443577 49 V 0.532559 1.272621 50 V 0.534366 1.671564 51 V 0.582120 1.627932 52 V 0.591941 1.979652 53 V 0.594897 1.802957 54 V 0.611471 1.577059 55 V 0.654314 1.595011 56 V 0.700293 1.992913 57 V 0.741305 2.010781 58 V 0.773968 1.618276 59 V 0.781868 2.241004 60 V 0.810188 1.619703 61 V 0.862656 2.224678 62 V 0.907684 1.490984 63 V 0.915936 2.013484 64 V 1.019122 1.974639 65 V 1.037888 1.580291 66 V 1.146417 1.943267 67 V 1.177447 1.848213 68 V 1.235159 2.298538 69 V 1.245110 2.228971 70 V 1.304989 2.469013 71 V 1.451617 2.097902 72 V 1.477914 2.656021 73 V 1.490292 2.678698 74 V 1.599966 3.060769 75 V 1.671392 3.575903 76 V 1.701632 3.147359 77 V 1.735466 3.975587 78 V 1.736592 4.644296 79 V 1.774991 2.945111 80 V 1.913228 3.478791 81 V 1.948879 3.977917 82 V 2.025033 3.551307 83 V 2.035532 3.373602 84 V 2.130062 3.805942 85 V 2.141104 3.653878 86 V 2.199554 4.655317 87 V 2.228696 4.150845 88 V 2.248231 3.900018 89 V 2.270277 3.865858 90 V 2.283409 4.563367 91 V 2.294633 4.113553 92 V 2.304909 4.363582 93 V 2.380599 4.587055 94 V 2.413275 3.785836 95 V 2.419093 3.396439 96 V 2.471156 4.618470 97 V 2.632459 4.021707 98 V 2.663796 3.990490 99 V 2.708267 4.895318 100 V 2.737414 4.164410 101 V 2.767150 4.263633 102 V 2.809092 4.991811 103 V 3.105689 5.866947 104 V 3.169640 6.336979 105 V 3.211292 5.722910 106 V 3.229034 5.934906 107 V 3.290899 5.849151 108 V 3.356342 5.299336 109 V 3.369834 5.330664 110 V 3.404989 5.291188 111 V 3.455408 5.151247 112 V 3.516367 5.731710 113 V 3.561755 5.761163 114 V 3.770194 5.599081 115 V 4.192300 6.146936 116 V 4.212020 6.243928 117 V 4.221139 6.321958 118 V 4.421919 7.019395 119 V 7.932940 30.666267 120 V 17.328533 55.607311 121 V 17.390809 55.674223 122 V 17.570756 55.803650 123 V 23.846270 60.300428 124 V 23.977416 60.386858 125 V 189.099870 487.111885 Total kinetic energy from orbitals= 4.770669639915D+02 ******************************Gaussian NBO Version 3.1****************************** 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 ******************************Gaussian NBO Version 3.1****************************** /RESON / : Allow strongly delocalized NBO set /AOPNAO / : Write the AO to PNAO transformation to LFN 32 /AOPNHO / : Write the AO to PNHO transformation to LFN 34 /AOPNBO / : Write the AO to PNBO transformation to LFN 36 /DMNAO / : Write the NAO density matrix to LFN 82 /DMNHO / : Write the NHO density matrix to LFN 84 /DMNBO / : Write the NBO density matrix to LFN 86 /FNAO / : Write the NAO Fock matrix to LFN 92 /FNHO / : Write the NHO Fock matrix to LFN 94 /FNBO / : Write the NBO Fock matrix to LFN 96 /FILE / : Set to NBODATA Analyzing the SCF density Job title: C2H6S ethanethiol Storage needed: 47585 in NPA, 62991 in NBO (********** available) GSVD: LWork= 4681 too small for GESVD, short by 16559 words or 16559 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99936 -10.03072 2 C 1 S Val( 2S) 1.08840 -0.26506 3 C 1 S Ryd( 3S) 0.00155 0.67858 4 C 1 S Ryd( 4S) 0.00036 0.68310 5 C 1 S Ryd( 5S) 0.00000 23.29899 6 C 1 px Val( 2p) 1.06159 -0.10352 7 C 1 px Ryd( 3p) 0.00154 0.46356 8 C 1 px Ryd( 4p) 0.00039 0.50054 9 C 1 px Ryd( 5p) 0.00013 2.83535 10 C 1 py Val( 2p) 1.21021 -0.10224 11 C 1 py Ryd( 4p) 0.00247 0.51419 12 C 1 py Ryd( 3p) 0.00008 0.46437 13 C 1 py Ryd( 5p) 0.00000 2.95074 14 C 1 pz Val( 2p) 1.21370 -0.10075 15 C 1 pz Ryd( 4p) 0.00154 0.47677 16 C 1 pz Ryd( 3p) 0.00012 0.45654 17 C 1 pz Ryd( 5p) 0.00000 2.92789 18 C 1 dxy Ryd( 3d) 0.00057 1.73483 19 C 1 dxy Ryd( 4d) 0.00006 2.73545 20 C 1 dxz Ryd( 3d) 0.00038 1.68768 21 C 1 dxz Ryd( 4d) 0.00015 2.68846 22 C 1 dyz Ryd( 3d) 0.00150 1.80252 23 C 1 dyz Ryd( 4d) 0.00002 2.83087 24 C 1 dx2y2 Ryd( 3d) 0.00127 1.91033 25 C 1 dx2y2 Ryd( 4d) 0.00003 2.90043 26 C 1 dz2 Ryd( 3d) 0.00130 1.83312 27 C 1 dz2 Ryd( 4d) 0.00001 2.83963 28 C 2 S Cor( 1S) 1.99925 -10.08104 29 C 2 S Val( 2S) 1.11070 -0.32124 30 C 2 S Ryd( 4S) 0.00258 0.69285 31 C 2 S Ryd( 3S) 0.00075 0.68811 32 C 2 S Ryd( 5S) 0.00000 23.43837 33 C 2 px Val( 2p) 1.08059 -0.12888 34 C 2 px Ryd( 3p) 0.00084 0.62428 35 C 2 px Ryd( 4p) 0.00023 0.69202 36 C 2 px Ryd( 5p) 0.00016 2.65965 37 C 2 py Val( 2p) 1.06199 -0.15320 38 C 2 py Ryd( 3p) 0.00105 0.68627 39 C 2 py Ryd( 4p) 0.00036 0.69836 40 C 2 py Ryd( 5p) 0.00009 2.38455 41 C 2 pz Val( 2p) 1.21697 -0.11181 42 C 2 pz Ryd( 3p) 0.00130 0.64055 43 C 2 pz Ryd( 4p) 0.00022 0.78641 44 C 2 pz Ryd( 5p) 0.00013 2.51119 45 C 2 dxy Ryd( 3d) 0.00216 1.06318 46 C 2 dxy Ryd( 4d) 0.00024 3.33881 47 C 2 dxz Ryd( 3d) 0.00113 1.03360 48 C 2 dxz Ryd( 4d) 0.00012 3.27841 49 C 2 dyz Ryd( 3d) 0.00168 1.14597 50 C 2 dyz Ryd( 4d) 0.00018 3.45211 51 C 2 dx2y2 Ryd( 3d) 0.00273 1.27356 52 C 2 dx2y2 Ryd( 4d) 0.00016 3.43622 53 C 2 dz2 Ryd( 3d) 0.00300 1.18086 54 C 2 dz2 Ryd( 4d) 0.00010 3.41268 55 S 3 S Cor( 1S) 2.00000 -87.77133 56 S 3 S Cor( 2S) 1.99951 -8.78770 57 S 3 S Val( 3S) 1.72871 -0.71752 58 S 3 S Ryd( 5S) 0.00513 0.56840 59 S 3 S Ryd( 4S) 0.00039 0.46623 60 S 3 S Ryd( 6S) 0.00000 14.84088 61 S 3 S Ryd( 7S) 0.00000 181.75804 62 S 3 px Cor( 2p) 1.99993 -5.88370 63 S 3 px Val( 3p) 1.08828 -0.18707 64 S 3 px Ryd( 5p) 0.00473 0.52026 65 S 3 px Ryd( 4p) 0.00014 0.26256 66 S 3 px Ryd( 6p) 0.00003 2.00111 67 S 3 px Ryd( 7p) 0.00000 16.94807 68 S 3 py Cor( 2p) 1.99993 -5.88218 69 S 3 py Val( 3p) 1.23648 -0.19366 70 S 3 py Ryd( 5p) 0.00263 0.42135 71 S 3 py Ryd( 4p) 0.00043 0.20339 72 S 3 py Ryd( 6p) 0.00010 2.08904 73 S 3 py Ryd( 7p) 0.00000 16.87797 74 S 3 pz Cor( 2p) 1.99998 -5.87662 75 S 3 pz Val( 3p) 1.96622 -0.24488 76 S 3 pz Ryd( 5p) 0.00587 0.37377 77 S 3 pz Ryd( 4p) 0.00014 0.22399 78 S 3 pz Ryd( 6p) 0.00001 1.90172 79 S 3 pz Ryd( 7p) 0.00000 16.95407 80 S 3 dxy Ryd( 3d) 0.00309 1.12105 81 S 3 dxy Ryd( 4d) 0.00016 2.32665 82 S 3 dxz Ryd( 3d) 0.00079 0.76062 83 S 3 dxz Ryd( 4d) 0.00020 1.96893 84 S 3 dyz Ryd( 3d) 0.00179 0.87070 85 S 3 dyz Ryd( 4d) 0.00008 2.17284 86 S 3 dx2y2 Ryd( 3d) 0.00584 1.10796 87 S 3 dx2y2 Ryd( 4d) 0.00008 2.29307 88 S 3 dz2 Ryd( 3d) 0.00262 1.05195 89 S 3 dz2 Ryd( 4d) 0.00004 2.21735 90 H 4 S Val( 1S) 0.87627 -0.13309 91 H 4 S Ryd( 2S) 0.00078 0.44301 92 H 4 S Ryd( 3S) 0.00030 2.14901 93 H 4 px Ryd( 2p) 0.00321 2.07405 94 H 4 py Ryd( 2p) 0.00086 1.56514 95 H 4 pz Ryd( 2p) 0.00099 1.44678 96 H 5 S Val( 1S) 0.79923 0.02289 97 H 5 S Ryd( 2S) 0.00168 0.59945 98 H 5 S Ryd( 3S) 0.00014 2.19790 99 H 5 px Ryd( 2p) 0.00015 2.09332 100 H 5 py Ryd( 2p) 0.00014 2.17661 101 H 5 pz Ryd( 2p) 0.00026 2.49513 102 H 6 S Val( 1S) 0.79923 0.02289 103 H 6 S Ryd( 2S) 0.00168 0.59945 104 H 6 S Ryd( 3S) 0.00014 2.19790 105 H 6 px Ryd( 2p) 0.00015 2.09332 106 H 6 py Ryd( 2p) 0.00014 2.17661 107 H 6 pz Ryd( 2p) 0.00026 2.49513 108 H 7 S Val( 1S) 0.79196 0.02643 109 H 7 S Ryd( 2S) 0.00048 0.70936 110 H 7 S Ryd( 3S) 0.00009 2.02747 111 H 7 px Ryd( 2p) 0.00014 2.16257 112 H 7 py Ryd( 2p) 0.00020 2.64775 113 H 7 pz Ryd( 2p) 0.00011 1.91614 114 H 8 S Val( 1S) 0.79472 0.03000 115 H 8 S Ryd( 2S) 0.00098 0.71985 116 H 8 S Ryd( 3S) 0.00012 2.04022 117 H 8 px Ryd( 2p) 0.00013 2.11860 118 H 8 py Ryd( 2p) 0.00014 2.13353 119 H 8 pz Ryd( 2p) 0.00019 2.49920 120 H 9 S Val( 1S) 0.79472 0.03000 121 H 9 S Ryd( 2S) 0.00098 0.71985 122 H 9 S Ryd( 3S) 0.00012 2.04022 123 H 9 px Ryd( 2p) 0.00013 2.11860 124 H 9 py Ryd( 2p) 0.00014 2.13353 125 H 9 pz Ryd( 2p) 0.00019 2.49920 WARNING: Population inversion found on atom C 1 Population inversion found on atom C 2 Population inversion found on atom S 3 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.58677 1.99936 4.57391 0.01350 6.58677 C 2 -0.48873 1.99925 4.47025 0.01922 6.48873 S 3 -0.05333 9.99935 6.01969 0.03429 16.05333 H 4 0.11757 0.00000 0.87627 0.00616 0.88243 H 5 0.19840 0.00000 0.79923 0.00237 0.80160 H 6 0.19840 0.00000 0.79923 0.00237 0.80160 H 7 0.20703 0.00000 0.79196 0.00101 0.79297 H 8 0.20371 0.00000 0.79472 0.00157 0.79629 H 9 0.20371 0.00000 0.79472 0.00157 0.79629 ======================================================================= * Total * -0.00000 13.99797 19.91997 0.08206 34.00000 Natural Population -------------------------------------------------------- Core 13.99797 ( 99.9855% of 14) Valence 19.91997 ( 99.5999% of 20) Natural Minimal Basis 33.91794 ( 99.7587% of 34) Natural Rydberg Basis 0.08206 ( 0.2413% of 34) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.09)2p( 3.49)3d( 0.01) C 2 [core]2S( 1.11)2p( 3.36)3d( 0.01) S 3 [core]3S( 1.73)3p( 4.29)3d( 0.01)5S( 0.01)5p( 0.01) H 4 1S( 0.88)2p( 0.01) H 5 1S( 0.80) H 6 1S( 0.80) H 7 1S( 0.79) H 8 1S( 0.79) H 9 1S( 0.79) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 33.87073 0.12927 7 8 0 2 0 0 0.05 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 13.99797 ( 99.985% of 14) Valence Lewis 19.87276 ( 99.364% of 20) ================== ============================ Total Lewis 33.87073 ( 99.620% of 34) ----------------------------------------------------- Valence non-Lewis 0.09775 ( 0.288% of 34) Rydberg non-Lewis 0.03152 ( 0.093% of 34) ================== ============================ Total non-Lewis 0.12927 ( 0.380% of 34) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.99385) BD ( 1) C 1 - C 2 ( 48.81%) 0.6986* C 1 s( 29.25%)p 2.42( 70.64%)d 0.00( 0.10%) 0.0002 0.5401 0.0289 0.0030 0.0002 -0.8379 0.0225 0.0152 0.0035 0.0593 -0.0112 -0.0007 0.0004 -0.0000 -0.0000 -0.0000 -0.0000 -0.0048 0.0012 -0.0000 -0.0000 0.0000 -0.0000 0.0265 -0.0011 -0.0173 0.0021 ( 51.19%) 0.7155* C 2 s( 30.52%)p 2.27( 69.36%)d 0.00( 0.12%) 0.0001 0.5517 0.0279 0.0022 0.0004 0.8277 -0.0147 -0.0107 0.0066 -0.0889 -0.0110 -0.0020 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 -0.0148 0.0027 0.0000 0.0000 -0.0000 -0.0000 0.0187 0.0088 -0.0243 0.0010 2. (1.98232) BD ( 1) C 1 - H 7 ( 60.26%) 0.7763* C 1 s( 23.47%)p 3.26( 76.43%)d 0.00( 0.10%) -0.0001 0.4844 -0.0050 -0.0010 -0.0001 0.3675 -0.0088 0.0040 0.0013 0.7930 0.0147 0.0045 0.0010 -0.0000 -0.0000 -0.0000 -0.0000 0.0176 0.0024 -0.0000 -0.0000 0.0000 -0.0000 -0.0193 -0.0008 -0.0176 0.0014 ( 39.74%) 0.6304* H 7 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0003 0.0002 -0.0086 -0.0131 0.0000 3. (1.98955) BD ( 1) C 1 - H 8 ( 60.32%) 0.7767* C 1 s( 23.68%)p 3.22( 76.21%)d 0.00( 0.10%) 0.0000 0.4865 -0.0100 -0.0006 -0.0000 0.2823 -0.0133 0.0009 0.0006 -0.4277 -0.0049 -0.0008 0.0001 0.7065 0.0100 0.0022 0.0007 -0.0064 -0.0015 0.0118 0.0019 -0.0241 0.0013 -0.0034 -0.0017 0.0161 0.0007 ( 39.68%) 0.6299* H 8 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0000 -0.0062 0.0075 -0.0120 4. (1.98955) BD ( 1) C 1 - H 9 ( 60.32%) 0.7767* C 1 s( 23.68%)p 3.22( 76.21%)d 0.00( 0.10%) 0.0000 0.4865 -0.0100 -0.0006 -0.0000 0.2823 -0.0133 0.0009 0.0006 -0.4277 -0.0049 -0.0008 0.0001 -0.7065 -0.0100 -0.0022 -0.0007 -0.0064 -0.0015 -0.0118 -0.0019 0.0241 -0.0013 -0.0034 -0.0017 0.0161 0.0007 ( 39.68%) 0.6299* H 9 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0018 0.0000 -0.0062 0.0075 0.0120 5. (1.98840) BD ( 1) C 2 - S 3 ( 51.86%) 0.7201* C 2 s( 20.86%)p 3.77( 78.70%)d 0.02( 0.44%) -0.0001 -0.4564 -0.0091 0.0158 0.0011 0.3897 -0.0030 -0.0066 -0.0022 0.7967 0.0144 -0.0124 -0.0025 -0.0000 -0.0000 -0.0000 -0.0000 -0.0394 0.0055 0.0000 0.0000 -0.0000 -0.0000 0.0367 -0.0047 0.0370 -0.0064 ( 48.14%) 0.6938* S 3 s( 15.82%)p 5.30( 83.78%)d 0.03( 0.40%) -0.0000 -0.0002 -0.3935 0.0579 -0.0039 0.0008 0.0000 -0.0000 -0.3734 -0.0385 0.0033 -0.0021 0.0001 -0.0001 -0.8332 -0.0499 0.0087 0.0019 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0286 -0.0102 0.0000 0.0000 0.0000 0.0000 0.0483 0.0015 0.0271 0.0040 6. (1.98686) BD ( 1) C 2 - H 5 ( 60.43%) 0.7774* C 2 s( 24.36%)p 3.10( 75.53%)d 0.00( 0.12%) -0.0000 0.4932 -0.0162 0.0061 0.0003 -0.2826 0.0035 -0.0021 0.0016 0.4197 -0.0038 0.0050 -0.0009 0.7065 0.0045 0.0090 0.0011 -0.0025 -0.0053 -0.0165 -0.0031 0.0190 0.0085 -0.0008 -0.0029 0.0196 0.0039 ( 39.57%) 0.6290* H 5 s( 99.97%)p 0.00( 0.03%) 0.9998 0.0045 -0.0001 0.0071 -0.0053 -0.0153 7. (1.98686) BD ( 1) C 2 - H 6 ( 60.43%) 0.7774* C 2 s( 24.36%)p 3.10( 75.53%)d 0.00( 0.12%) -0.0000 0.4932 -0.0162 0.0061 0.0003 -0.2826 0.0035 -0.0021 0.0016 0.4197 -0.0038 0.0050 -0.0009 -0.7065 -0.0045 -0.0090 -0.0011 -0.0025 -0.0053 0.0165 0.0031 -0.0190 -0.0085 -0.0008 -0.0029 0.0196 0.0039 ( 39.57%) 0.6290* H 6 s( 99.97%)p 0.00( 0.03%) 0.9998 0.0045 -0.0001 0.0071 -0.0053 0.0153 8. (1.98949) BD ( 1) S 3 - H 4 ( 55.93%) 0.7479* S 3 s( 13.79%)p 6.21( 85.66%)d 0.04( 0.56%) -0.0000 0.0001 -0.3708 0.0201 -0.0019 -0.0014 -0.0000 -0.0000 0.8949 0.0483 0.0046 0.0036 -0.0003 0.0001 -0.2306 0.0137 0.0029 0.0054 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0395 0.0058 0.0000 0.0000 0.0000 0.0000 -0.0494 -0.0072 0.0382 -0.0030 ( 44.07%) 0.6638* H 4 s( 99.61%)p 0.00( 0.39%) -0.9980 -0.0014 -0.0004 -0.0599 0.0187 0.0000 9. (1.99936) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 -0.0000 -0.0000 -0.0000 0.0002 -0.0000 -0.0000 -0.0000 0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 10. (1.99925) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0001 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -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. (2.00000) CR ( 1) S 3 s(100.00%) 1.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 12. (1.99951) CR ( 2) S 3 s(100.00%)p 0.00( 0.00%) -0.0000 1.0000 -0.0001 0.0000 -0.0000 0.0000 0.0000 0.0000 -0.0002 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0001 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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. (1.99993) CR ( 3) S 3 s( 0.00%)p 1.00(100.00%) -0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 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 14. (1.99993) CR ( 4) S 3 s( 0.00%)p 1.00(100.00%) -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0001 -0.0000 -0.0000 -0.0000 0.0000 1.0000 -0.0001 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 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. (1.99998) CR ( 5) S 3 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 0.0001 -0.0000 0.0000 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. (1.99370) LP ( 1) S 3 s( 70.72%)p 0.41( 29.27%)d 0.00( 0.02%) -0.0000 0.0000 0.8407 0.0189 -0.0012 -0.0002 -0.0000 -0.0000 0.2208 -0.0044 -0.0030 -0.0020 -0.0002 -0.0000 -0.4938 -0.0020 0.0009 0.0044 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0051 -0.0021 0.0000 0.0000 0.0000 0.0000 0.0078 -0.0026 0.0074 0.0015 17. (1.97219) LP ( 2) S 3 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.9985 -0.0489 0.0035 0.0021 0.0001 0.0000 0.0000 -0.0170 0.0090 0.0151 -0.0051 0.0000 0.0000 0.0000 0.0000 18. (0.00308) RY*( 1) C 1 s( 15.22%)p 5.25( 79.89%)d 0.32( 4.89%) 0.0000 0.0019 0.3836 -0.0705 -0.0076 0.0150 0.3554 0.1380 0.0252 -0.0227 0.8032 -0.0835 0.0077 -0.0000 -0.0000 -0.0000 -0.0000 0.1663 0.1153 -0.0000 -0.0000 0.0000 -0.0000 0.0039 0.0266 -0.0823 -0.0220 19. (0.00160) RY*( 2) C 1 s( 0.00%)p 1.00( 89.66%)d 0.12( 10.34%) 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0218 0.9124 -0.2522 -0.0096 -0.0000 -0.0000 0.1512 0.2057 -0.1899 0.0466 -0.0000 -0.0000 0.0000 0.0000 20. (0.00060) RY*( 3) C 1 s( 46.70%)p 1.13( 52.60%)d 0.01( 0.70%) -0.0000 0.0028 -0.1793 0.6593 -0.0122 -0.0200 -0.3165 -0.3607 0.4232 -0.0013 0.3358 0.0572 -0.0141 0.0000 0.0000 0.0000 0.0000 0.0197 -0.0232 0.0000 0.0000 -0.0000 0.0000 0.0154 0.0206 0.0074 -0.0730 21. (0.00028) RY*( 4) C 1 s( 33.71%)p 1.84( 61.95%)d 0.13( 4.33%) 0.0000 0.0042 0.3354 0.4739 0.0051 0.0296 0.6302 -0.2630 -0.1346 -0.0014 -0.3121 0.1835 0.0559 -0.0000 -0.0000 -0.0000 -0.0000 -0.0709 -0.0897 -0.0000 -0.0000 0.0000 -0.0000 -0.0897 0.1357 -0.0430 -0.0440 22. (0.00021) RY*( 5) C 1 s( 0.00%)p 1.00( 12.53%)d 6.98( 87.47%) 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0155 -0.3014 -0.1844 -0.0144 -0.0000 -0.0000 -0.1938 0.6120 -0.6276 0.2622 -0.0000 -0.0000 0.0000 0.0000 23. (0.00010) RY*( 6) C 1 s( 2.57%)p 4.83( 12.42%)d33.09( 85.01%) -0.0000 -0.0010 0.1353 0.0858 0.0057 -0.0256 -0.2633 0.1381 -0.0959 -0.0157 -0.0543 -0.1309 0.0747 0.0000 0.0000 0.0000 0.0000 0.2686 0.0172 0.0000 0.0000 -0.0000 0.0000 -0.7896 0.3757 -0.1122 -0.0198 24. (0.00005) RY*( 7) C 1 s( 21.06%)p 2.44( 51.32%)d 1.31( 27.62%) 25. (0.00000) RY*( 8) C 1 s( 56.86%)p 0.64( 36.60%)d 0.12( 6.54%) 26. (0.00000) RY*( 9) C 1 s( 0.22%)p99.99( 99.04%)d 3.37( 0.74%) 27. (0.00000) RY*(10) C 1 s( 16.16%)p 5.00( 80.81%)d 0.19( 3.04%) 28. (0.00000) RY*(11) C 1 s( 0.00%)p 1.00( 87.14%)d 0.15( 12.86%) 29. (0.00000) RY*(12) C 1 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 30. (0.00000) RY*(13) C 1 s( 1.06%)p11.83( 12.51%)d81.73( 86.43%) 31. (0.00000) RY*(14) C 1 s( 0.32%)p22.28( 7.17%)d99.99( 92.51%) 32. (0.00000) RY*(15) C 1 s( 0.00%)p 1.00( 4.09%)d23.48( 95.91%) 33. (0.00000) RY*(16) C 1 s( 3.56%)p26.54( 94.43%)d 0.56( 2.01%) 34. (0.00000) RY*(17) C 1 s( 0.00%)p 1.00( 6.16%)d15.24( 93.84%) 35. (0.00000) RY*(18) C 1 s( 0.00%)p 1.00( 0.60%)d99.99( 99.40%) 36. (0.00000) RY*(19) C 1 s( 99.42%)p 0.00( 0.38%)d 0.00( 0.19%) 37. (0.00000) RY*(20) C 1 s( 0.29%)p 6.06( 1.75%)d99.99( 97.96%) 38. (0.00000) RY*(21) C 1 s( 2.09%)p 3.42( 7.14%)d43.46( 90.78%) 39. (0.00000) RY*(22) C 1 s( 0.68%)p 3.48( 2.35%)d99.99( 96.97%) 40. (0.00261) RY*( 1) C 2 s( 45.07%)p 0.40( 17.93%)d 0.82( 37.00%) 0.0000 0.0071 0.6377 0.2097 0.0043 -0.0474 -0.2963 -0.1212 0.0823 -0.0140 0.1896 -0.1755 -0.0285 -0.0000 -0.0000 -0.0000 -0.0000 -0.1310 0.0895 0.0000 0.0000 -0.0000 -0.0000 0.5789 -0.0863 0.0358 -0.0309 41. (0.00192) RY*( 2) C 2 s( 0.00%)p 1.00( 51.05%)d 0.96( 48.95%) -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0007 0.7103 0.0098 -0.0771 -0.0000 -0.0000 -0.4667 0.0111 -0.5183 -0.0539 -0.0000 -0.0000 0.0000 0.0000 42. (0.00111) RY*( 3) C 2 s( 14.35%)p 3.90( 55.89%)d 2.07( 29.76%) 0.0000 -0.0187 0.3427 -0.1603 0.0010 -0.0050 -0.3065 0.1677 0.0152 0.0490 -0.6165 0.0739 -0.2207 -0.0000 0.0000 0.0000 0.0000 0.3758 0.2077 -0.0000 -0.0000 0.0000 0.0000 -0.1474 0.0593 -0.2953 0.0283 43. (0.00103) RY*( 4) C 2 s( 0.00%)p 1.00( 43.50%)d 1.30( 56.50%) -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0273 0.5278 0.1908 0.3454 -0.0000 -0.0000 -0.0150 -0.3225 0.6731 0.0882 0.0000 -0.0000 0.0000 -0.0000 44. (0.00058) RY*( 5) C 2 s( 33.95%)p 1.61( 54.61%)d 0.34( 11.45%) -0.0000 -0.0004 0.0460 0.5774 -0.0627 0.0012 0.5778 0.0358 -0.2169 -0.0111 -0.2957 0.2559 -0.1041 0.0000 0.0000 0.0000 0.0000 0.0525 0.2289 -0.0000 -0.0000 0.0000 0.0000 0.2100 -0.0203 0.0140 -0.1209 45. (0.00046) RY*( 6) C 2 s( 7.07%)p 5.87( 41.52%)d 7.27( 51.41%) -0.0000 0.0016 0.2658 -0.0022 0.0076 0.0153 0.2675 0.0220 -0.2133 0.0331 0.5102 -0.1349 -0.1337 -0.0000 -0.0000 -0.0000 -0.0000 0.6488 -0.1743 0.0000 0.0000 -0.0000 -0.0000 -0.1270 0.1391 -0.1638 0.0222 46. (0.00016) RY*( 7) C 2 s( 17.47%)p 3.05( 53.31%)d 1.67( 29.22%) 0.0000 -0.0038 0.3300 -0.2566 0.0030 -0.0077 0.4688 -0.1202 0.5109 0.0228 0.1215 0.1064 0.1056 -0.0000 -0.0000 -0.0000 -0.0000 -0.2210 0.3021 0.0000 0.0000 -0.0000 -0.0000 -0.2227 -0.1190 -0.2802 0.0989 47. (0.00010) RY*( 8) C 2 s( 27.00%)p 1.52( 41.04%)d 1.18( 31.96%) 48. (0.00000) RY*( 9) C 2 s( 1.86%)p33.24( 61.66%)d19.67( 36.49%) 49. (0.00000) RY*(10) C 2 s( 0.84%)p99.99( 95.00%)d 4.92( 4.15%) 50. (0.00000) RY*(11) C 2 s( 0.00%)p 1.00( 96.92%)d 0.03( 3.08%) 51. (0.00000) RY*(12) C 2 s( 0.00%)p 1.00( 33.26%)d 2.01( 66.74%) 52. (0.00000) RY*(13) C 2 s( 99.79%)p 0.00( 0.17%)d 0.00( 0.04%) 53. (0.00000) RY*(14) C 2 s( 8.66%)p 1.74( 15.04%)d 8.81( 76.30%) 54. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 50.73%)d 0.97( 49.27%) 55. (0.00000) RY*(16) C 2 s( 0.00%)p 1.00( 24.52%)d 3.08( 75.48%) 56. (0.00000) RY*(17) C 2 s( 16.20%)p 5.00( 81.04%)d 0.17( 2.76%) 57. (0.00000) RY*(18) C 2 s( 0.00%)p 1.00( 0.15%)d99.99( 99.85%) 58. (0.00000) RY*(19) C 2 s( 13.60%)p 5.91( 80.39%)d 0.44( 6.01%) 59. (0.00000) RY*(20) C 2 s( 0.12%)p12.25( 1.45%)d99.99( 98.43%) 60. (0.00000) RY*(21) C 2 s( 13.12%)p 0.07( 0.93%)d 6.55( 85.95%) 61. (0.00000) RY*(22) C 2 s( 0.81%)p 0.95( 0.76%)d99.99( 98.43%) 62. (0.00324) RY*( 1) S 3 s( 19.18%)p 1.56( 30.01%)d 2.65( 50.81%) -0.0000 -0.0000 0.0082 0.4150 0.1397 -0.0035 -0.0002 -0.0000 0.0035 -0.4679 -0.0512 -0.0234 -0.0129 -0.0000 0.0238 0.1042 0.2566 -0.0209 -0.0010 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.3897 0.0639 0.0000 0.0000 0.0000 0.0000 -0.5788 0.0336 0.1267 0.0014 63. (0.00273) RY*( 2) S 3 s( 0.00%)p 1.00( 46.00%)d 1.17( 54.00%) 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 0.0232 0.6482 0.1952 -0.0339 0.0065 0.0000 0.0000 0.1998 0.0265 0.6996 -0.1001 0.0000 0.0000 0.0000 0.0000 64. (0.00070) RY*( 3) S 3 s( 45.22%)p 0.78( 35.23%)d 0.43( 19.55%) 0.0000 0.0000 -0.0048 0.1184 0.6620 0.0009 0.0001 -0.0000 -0.0268 0.1849 0.2066 -0.0229 -0.0027 0.0000 -0.0214 0.3114 0.3994 -0.1307 -0.0102 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3342 -0.0706 0.0000 0.0000 0.0000 0.0000 0.0192 -0.0477 -0.2744 0.0297 65. (0.00024) RY*( 4) S 3 s( 16.99%)p 2.67( 45.42%)d 2.21( 37.59%) -0.0000 -0.0000 0.0064 0.3820 0.1543 -0.0109 0.0009 0.0000 0.0771 -0.3257 0.3941 -0.0922 -0.0138 -0.0000 0.0689 -0.4150 -0.0243 -0.0244 -0.0006 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.1942 -0.0874 0.0000 0.0000 0.0000 0.0000 0.5705 -0.0421 -0.0493 0.0299 66. (0.00016) RY*( 5) S 3 s( 0.00%)p 1.00( 6.01%)d15.63( 93.99%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0167 -0.0866 0.2203 -0.0606 -0.0115 0.0000 0.0000 0.8147 -0.4766 -0.1809 0.1274 0.0000 0.0000 0.0000 0.0000 67. (0.00006) RY*( 6) S 3 s( 0.83%)p45.02( 37.46%)d74.16( 61.71%) 68. (0.00000) RY*( 7) S 3 s( 0.14%)p99.99( 96.64%)d23.83( 3.22%) 69. (0.00000) RY*( 8) S 3 s( 0.01%)p99.99( 99.95%)d 2.47( 0.03%) 70. (0.00001) RY*( 9) S 3 s( 4.28%)p16.67( 71.41%)d 5.67( 24.30%) 71. (0.00000) RY*(10) S 3 s( 25.32%)p 2.70( 68.26%)d 0.25( 6.42%) 72. (0.00001) RY*(11) S 3 s( 1.29%)p72.93( 94.23%)d 3.47( 4.48%) 73. (0.00000) RY*(12) S 3 s( 0.01%)p 1.00( 99.97%)d 0.00( 0.02%) 74. (0.00000) RY*(13) S 3 s( 99.89%)p 0.00( 0.04%)d 0.00( 0.07%) 75. (0.00000) RY*(14) S 3 s( 0.00%)p 1.00( 92.30%)d 0.08( 7.70%) 76. (0.00000) RY*(15) S 3 s( 0.00%)p 1.00( 99.59%)d 0.00( 0.41%) 77. (0.00000) RY*(16) S 3 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 78. (0.00000) RY*(17) S 3 s( 14.31%)p 1.55( 22.12%)d 4.44( 63.57%) 79. (0.00000) RY*(18) S 3 s( 0.22%)p 2.51( 0.56%)d99.99( 99.22%) 80. (0.00000) RY*(19) S 3 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 81. (0.00000) RY*(20) S 3 s( 0.00%)p 1.00( 4.64%)d20.56( 95.36%) 82. (0.00000) RY*(21) S 3 s( 0.00%)p 1.00( 50.93%)d 0.96( 49.07%) 83. (0.00000) RY*(22) S 3 s( 0.00%)p 1.00( 0.61%)d99.99( 99.39%) 84. (0.00000) RY*(23) S 3 s( 65.25%)p 0.48( 31.55%)d 0.05( 3.20%) 85. (0.00000) RY*(24) S 3 s( 0.07%)p 5.76( 0.41%)d99.99( 99.51%) 86. (0.00000) RY*(25) S 3 s( 6.63%)p 9.88( 65.56%)d 4.19( 27.81%) 87. (0.00000) RY*(26) S 3 s( 0.02%)p99.99( 2.48%)d99.99( 97.50%) 88. (0.00099) RY*( 1) H 4 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 89. (0.00090) RY*( 2) H 4 s( 72.65%)p 0.38( 27.35%) 0.0053 0.8195 0.2342 0.0522 0.5203 0.0000 90. (0.00059) RY*( 3) H 4 s( 61.30%)p 0.63( 38.70%) 0.0152 -0.5499 0.5572 -0.0500 0.6200 0.0000 91. (0.00014) RY*( 4) H 4 s( 52.10%)p 0.92( 47.90%) -0.0376 0.0963 0.7144 0.4581 -0.5187 0.0000 92. (0.00001) RY*( 5) H 4 s( 14.34%)p 5.98( 85.66%) 93. (0.00176) RY*( 1) H 5 s( 96.07%)p 0.04( 3.93%) -0.0058 0.9801 0.0035 0.0596 -0.1892 0.0017 94. (0.00017) RY*( 2) H 5 s( 66.08%)p 0.51( 33.92%) 0.0012 -0.0498 0.8114 0.4823 -0.0882 0.3144 95. (0.00011) RY*( 3) H 5 s( 19.64%)p 4.09( 80.36%) 0.0010 -0.0484 0.4405 -0.7459 -0.4788 -0.1347 96. (0.00004) RY*( 4) H 5 s( 13.47%)p 6.42( 86.53%) 97. (0.00005) RY*( 5) H 5 s( 4.78%)p19.92( 95.22%) 98. (0.00176) RY*( 1) H 6 s( 96.07%)p 0.04( 3.93%) -0.0058 0.9801 0.0035 0.0596 -0.1892 -0.0017 99. (0.00017) RY*( 2) H 6 s( 66.08%)p 0.51( 33.92%) 0.0012 -0.0498 0.8114 0.4823 -0.0882 -0.3144 100. (0.00011) RY*( 3) H 6 s( 19.64%)p 4.09( 80.36%) 0.0010 -0.0484 0.4405 -0.7459 -0.4788 0.1347 101. (0.00004) RY*( 4) H 6 s( 13.47%)p 6.42( 86.53%) 102. (0.00005) RY*( 5) H 6 s( 4.78%)p19.92( 95.22%) 103. (0.00050) RY*( 1) H 7 s( 94.94%)p 0.05( 5.06%) -0.0038 0.9744 -0.0008 -0.1487 -0.1688 0.0000 104. (0.00013) RY*( 2) H 7 s( 51.40%)p 0.95( 48.60%) 0.0004 -0.0138 0.7168 -0.5620 0.4124 0.0000 105. (0.00011) RY*( 3) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 106. (0.00005) RY*( 4) H 7 s( 45.98%)p 1.17( 54.02%) 107. (0.00002) RY*( 5) H 7 s( 7.70%)p11.99( 92.30%) 108. (0.00100) RY*( 1) H 8 s( 98.79%)p 0.01( 1.21%) -0.0030 0.9939 0.0029 -0.1014 0.0268 -0.0329 109. (0.00017) RY*( 2) H 8 s( 56.08%)p 0.78( 43.92%) 0.0016 -0.0419 0.7477 -0.5175 0.0208 0.4135 110. (0.00010) RY*( 3) H 8 s( 0.19%)p99.99( 99.81%) 111. (0.00007) RY*( 4) H 8 s( 35.93%)p 1.78( 64.07%) 112. (0.00004) RY*( 5) H 8 s( 9.03%)p10.07( 90.97%) 113. (0.00100) RY*( 1) H 9 s( 98.79%)p 0.01( 1.21%) -0.0030 0.9939 0.0029 -0.1014 0.0268 0.0329 114. (0.00017) RY*( 2) H 9 s( 56.08%)p 0.78( 43.92%) 0.0016 -0.0419 0.7477 -0.5175 0.0208 -0.4135 115. (0.00010) RY*( 3) H 9 s( 0.19%)p99.99( 99.81%) 116. (0.00007) RY*( 4) H 9 s( 35.93%)p 1.78( 64.07%) 117. (0.00004) RY*( 5) H 9 s( 9.03%)p10.07( 90.97%) 118. (0.00614) BD*( 1) C 1 - C 2 ( 51.19%) 0.7155* C 1 s( 29.25%)p 2.42( 70.64%)d 0.00( 0.10%) 0.0002 0.5401 0.0289 0.0030 0.0002 -0.8379 0.0225 0.0152 0.0035 0.0593 -0.0112 -0.0007 0.0004 -0.0000 -0.0000 -0.0000 -0.0000 -0.0048 0.0012 -0.0000 -0.0000 0.0000 -0.0000 0.0265 -0.0011 -0.0173 0.0021 ( 48.81%) -0.6986* C 2 s( 30.52%)p 2.27( 69.36%)d 0.00( 0.12%) 0.0001 0.5517 0.0279 0.0022 0.0004 0.8277 -0.0147 -0.0107 0.0066 -0.0889 -0.0110 -0.0020 -0.0010 -0.0000 -0.0000 -0.0000 -0.0000 -0.0148 0.0027 0.0000 0.0000 -0.0000 -0.0000 0.0187 0.0088 -0.0243 0.0010 119. (0.00739) BD*( 1) C 1 - H 7 ( 39.74%) 0.6304* C 1 s( 23.47%)p 3.26( 76.43%)d 0.00( 0.10%) 0.0001 -0.4844 0.0050 0.0010 0.0001 -0.3675 0.0088 -0.0040 -0.0013 -0.7930 -0.0147 -0.0045 -0.0010 0.0000 0.0000 0.0000 0.0000 -0.0176 -0.0024 0.0000 0.0000 -0.0000 0.0000 0.0193 0.0008 0.0176 -0.0014 ( 60.26%) -0.7763* H 7 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0003 -0.0002 0.0086 0.0131 -0.0000 120. (0.00918) BD*( 1) C 1 - H 8 ( 39.68%) 0.6299* C 1 s( 23.68%)p 3.22( 76.21%)d 0.00( 0.10%) -0.0000 -0.4865 0.0100 0.0006 0.0000 -0.2823 0.0133 -0.0009 -0.0006 0.4277 0.0049 0.0008 -0.0001 -0.7065 -0.0100 -0.0022 -0.0007 0.0064 0.0015 -0.0118 -0.0019 0.0241 -0.0013 0.0034 0.0017 -0.0161 -0.0007 ( 60.32%) -0.7767* H 8 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0000 0.0062 -0.0075 0.0120 121. (0.00918) BD*( 1) C 1 - H 9 ( 39.68%) 0.6299* C 1 s( 23.68%)p 3.22( 76.21%)d 0.00( 0.10%) -0.0000 -0.4865 0.0100 0.0006 0.0000 -0.2823 0.0133 -0.0009 -0.0006 0.4277 0.0049 0.0008 -0.0001 0.7065 0.0100 0.0022 0.0007 0.0064 0.0015 0.0118 0.0019 -0.0241 0.0013 0.0034 0.0017 -0.0161 -0.0007 ( 60.32%) -0.7767* H 9 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0018 -0.0000 0.0062 -0.0075 -0.0120 122. (0.01635) BD*( 1) C 2 - S 3 ( 48.14%) 0.6938* C 2 s( 20.86%)p 3.77( 78.70%)d 0.02( 0.44%) 0.0001 0.4564 0.0091 -0.0158 -0.0011 -0.3897 0.0030 0.0066 0.0022 -0.7967 -0.0144 0.0124 0.0025 0.0000 0.0000 0.0000 0.0000 0.0394 -0.0055 -0.0000 -0.0000 0.0000 0.0000 -0.0367 0.0047 -0.0370 0.0064 ( 51.86%) -0.7201* S 3 s( 15.82%)p 5.30( 83.78%)d 0.03( 0.40%) 0.0000 0.0002 0.3935 -0.0579 0.0039 -0.0008 -0.0000 0.0000 0.3734 0.0385 -0.0033 0.0021 -0.0001 0.0001 0.8332 0.0499 -0.0087 -0.0019 -0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0286 0.0102 -0.0000 -0.0000 -0.0000 -0.0000 -0.0483 -0.0015 -0.0271 -0.0040 123. (0.02198) BD*( 1) C 2 - H 5 ( 39.57%) 0.6290* C 2 s( 24.36%)p 3.10( 75.53%)d 0.00( 0.12%) 0.0000 -0.4932 0.0162 -0.0061 -0.0003 0.2826 -0.0035 0.0021 -0.0016 -0.4197 0.0038 -0.0050 0.0009 -0.7065 -0.0045 -0.0090 -0.0011 0.0025 0.0053 0.0165 0.0031 -0.0190 -0.0085 0.0008 0.0029 -0.0196 -0.0039 ( 60.43%) -0.7774* H 5 s( 99.97%)p 0.00( 0.03%) -0.9998 -0.0045 0.0001 -0.0071 0.0053 0.0153 124. (0.02198) BD*( 1) C 2 - H 6 ( 39.57%) 0.6290* C 2 s( 24.36%)p 3.10( 75.53%)d 0.00( 0.12%) 0.0000 -0.4932 0.0162 -0.0061 -0.0003 0.2826 -0.0035 0.0021 -0.0016 -0.4197 0.0038 -0.0050 0.0009 0.7065 0.0045 0.0090 0.0011 0.0025 0.0053 -0.0165 -0.0031 0.0190 0.0085 0.0008 0.0029 -0.0196 -0.0039 ( 60.43%) -0.7774* H 6 s( 99.97%)p 0.00( 0.03%) -0.9998 -0.0045 0.0001 -0.0071 0.0053 -0.0153 125. (0.00557) BD*( 1) S 3 - H 4 ( 44.07%) 0.6638* S 3 s( 13.79%)p 6.21( 85.66%)d 0.04( 0.56%) 0.0000 -0.0001 0.3708 -0.0201 0.0019 0.0014 0.0000 0.0000 -0.8949 -0.0483 -0.0046 -0.0036 0.0003 -0.0001 0.2306 -0.0137 -0.0029 -0.0054 0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0395 -0.0058 -0.0000 -0.0000 -0.0000 -0.0000 0.0494 0.0072 -0.0382 0.0030 ( 55.93%) -0.7479* H 4 s( 99.61%)p 0.00( 0.39%) 0.9980 0.0014 0.0004 0.0599 -0.0187 -0.0000 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1) C 1 - C 2 90.0 175.2 90.0 176.6 1.4 90.0 352.8 2.4 3. BD ( 1) C 1 - H 8 35.9 303.4 35.4 302.0 1.0 -- -- -- 4. BD ( 1) C 1 - H 9 144.1 303.4 144.6 302.0 1.0 -- -- -- 5. BD ( 1) C 2 - S 3 90.0 245.8 90.0 244.6 1.2 90.0 64.8 1.0 8. BD ( 1) S 3 - H 4 90.0 162.9 90.0 167.6 4.7 -- -- -- 16. LP ( 1) S 3 -- -- 90.0 293.3 -- -- -- -- 17. LP ( 2) S 3 -- -- 0.0 0.0 -- -- -- -- Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1) C 1 - C 2 / 62. RY*( 1) S 3 0.71 1.27 0.027 1. BD ( 1) C 1 - C 2 /125. BD*( 1) S 3 - H 4 0.57 0.82 0.019 2. BD ( 1) C 1 - H 7 /122. BD*( 1) C 2 - S 3 4.44 0.65 0.048 3. BD ( 1) C 1 - H 8 /124. BD*( 1) C 2 - H 6 2.59 0.89 0.043 4. BD ( 1) C 1 - H 9 /123. BD*( 1) C 2 - H 5 2.59 0.89 0.043 5. BD ( 1) C 2 - S 3 / 18. RY*( 1) C 1 0.90 1.27 0.030 5. BD ( 1) C 2 - S 3 /119. BD*( 1) C 1 - H 7 2.44 0.97 0.044 6. BD ( 1) C 2 - H 5 / 19. RY*( 2) C 1 0.59 1.27 0.024 6. BD ( 1) C 2 - H 5 / 63. RY*( 2) S 3 0.67 1.10 0.024 6. BD ( 1) C 2 - H 5 /121. BD*( 1) C 1 - H 9 2.69 0.91 0.044 7. BD ( 1) C 2 - H 6 / 19. RY*( 2) C 1 0.59 1.27 0.024 7. BD ( 1) C 2 - H 6 / 63. RY*( 2) S 3 0.67 1.10 0.024 7. BD ( 1) C 2 - H 6 /120. BD*( 1) C 1 - H 8 2.69 0.91 0.044 8. BD ( 1) S 3 - H 4 / 40. RY*( 1) C 2 0.95 1.51 0.034 8. BD ( 1) S 3 - H 4 /118. BD*( 1) C 1 - C 2 1.58 0.91 0.034 8. BD ( 1) S 3 - H 4 /122. BD*( 1) C 2 - S 3 0.61 0.68 0.018 9. CR ( 1) C 1 / 40. RY*( 1) C 2 0.62 11.00 0.074 10. CR ( 1) C 2 / 21. RY*( 4) C 1 0.98 10.92 0.092 10. CR ( 1) C 2 /122. BD*( 1) C 2 - S 3 1.23 10.22 0.101 12. CR ( 2) S 3 / 45. RY*( 6) C 2 0.85 9.91 0.082 12. CR ( 2) S 3 / 91. RY*( 4) H 4 0.52 10.63 0.066 16. LP ( 1) S 3 / 45. RY*( 6) C 2 0.56 1.76 0.028 17. LP ( 2) S 3 / 41. RY*( 2) C 2 0.54 1.06 0.022 17. LP ( 2) S 3 / 88. RY*( 1) H 4 1.10 1.69 0.039 17. LP ( 2) S 3 /123. BD*( 1) C 2 - H 5 3.64 0.63 0.043 17. LP ( 2) S 3 /124. BD*( 1) C 2 - H 6 3.64 0.63 0.043 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C2H6S) 1. BD ( 1) C 1 - C 2 1.99385 -0.63781 62(v),125(v) 2. BD ( 1) C 1 - H 7 1.98232 -0.50707 122(v) 3. BD ( 1) C 1 - H 8 1.98955 -0.50665 124(v) 4. BD ( 1) C 1 - H 9 1.98955 -0.50665 123(v) 5. BD ( 1) C 2 - S 3 1.98840 -0.58204 119(v),18(v) 6. BD ( 1) C 2 - H 5 1.98686 -0.51887 121(v),63(v),19(v) 7. BD ( 1) C 2 - H 6 1.98686 -0.51887 120(v),63(v),19(v) 8. BD ( 1) S 3 - H 4 1.98949 -0.54158 118(v),40(v),122(g) 9. CR ( 1) C 1 1.99936 -10.03063 40(v) 10. CR ( 1) C 2 1.99925 -10.08087 122(g),21(v) 11. CR ( 1) S 3 2.00000 -87.77134 12. CR ( 2) S 3 1.99951 -8.78759 45(v),91(v) 13. CR ( 3) S 3 1.99993 -5.88370 14. CR ( 4) S 3 1.99993 -5.88216 15. CR ( 5) S 3 1.99998 -5.87664 16. LP ( 1) S 3 1.99370 -0.63303 45(v) 17. LP ( 2) S 3 1.97219 -0.24643 123(v),124(v),88(v),41(v) 18. RY*( 1) C 1 0.00308 0.68598 19. RY*( 2) C 1 0.00160 0.75024 20. RY*( 3) C 1 0.00060 1.34995 21. RY*( 4) C 1 0.00028 0.84005 22. RY*( 5) C 1 0.00021 1.22916 23. RY*( 6) C 1 0.00010 1.40283 24. RY*( 7) C 1 0.00005 0.95989 25. RY*( 8) C 1 0.00000 0.64210 26. RY*( 9) C 1 0.00000 2.95990 27. RY*( 10) C 1 0.00000 0.37673 28. RY*( 11) C 1 0.00000 0.70733 29. RY*( 12) C 1 0.00000 2.92501 30. RY*( 13) C 1 0.00000 1.64890 31. RY*( 14) C 1 0.00000 2.32591 32. RY*( 15) C 1 0.00000 1.91214 33. RY*( 16) C 1 0.00000 1.66030 34. RY*( 17) C 1 0.00000 2.10406 35. RY*( 18) C 1 0.00000 3.24066 36. RY*( 19) C 1 0.00000 23.23973 37. RY*( 20) C 1 0.00000 3.45729 38. RY*( 21) C 1 0.00000 1.84821 39. RY*( 22) C 1 0.00000 2.93145 40. RY*( 1) C 2 0.00261 0.96571 41. RY*( 2) C 2 0.00192 0.81177 42. RY*( 3) C 2 0.00111 1.07827 43. RY*( 4) C 2 0.00103 1.31830 44. RY*( 5) C 2 0.00058 1.24655 45. RY*( 6) C 2 0.00046 1.12575 46. RY*( 7) C 2 0.00016 1.09765 47. RY*( 8) C 2 0.00010 0.86427 48. RY*( 9) C 2 0.00000 2.06953 49. RY*( 10) C 2 0.00000 0.96046 50. RY*( 11) C 2 0.00000 0.88769 51. RY*( 12) C 2 0.00000 1.71535 52. RY*( 13) C 2 0.00000 23.20378 53. RY*( 14) C 2 0.00000 2.89810 54. RY*( 15) C 2 0.00000 1.64042 55. RY*( 16) C 2 0.00000 3.14549 56. RY*( 17) C 2 0.00000 2.05056 57. RY*( 18) C 2 0.00000 3.32506 58. RY*( 19) C 2 0.00000 0.52383 59. RY*( 20) C 2 0.00000 3.36536 60. RY*( 21) C 2 0.00000 1.39998 61. RY*( 22) C 2 0.00000 3.40910 62. RY*( 1) S 3 0.00324 0.62767 63. RY*( 2) S 3 0.00273 0.57787 64. RY*( 3) S 3 0.00070 0.55730 65. RY*( 4) S 3 0.00024 0.68014 66. RY*( 5) S 3 0.00016 0.56942 67. RY*( 6) S 3 0.00006 0.93014 68. RY*( 7) S 3 0.00000 1.95023 69. RY*( 8) S 3 0.00000 16.91806 70. RY*( 9) S 3 0.00001 0.61361 71. RY*( 10) S 3 0.00000 0.22059 72. RY*( 11) S 3 0.00001 1.93463 73. RY*( 12) S 3 0.00000 16.85363 74. RY*( 13) S 3 0.00000 14.80888 75. RY*( 14) S 3 0.00000 0.25153 76. RY*( 15) S 3 0.00000 1.89251 77. RY*( 16) S 3 0.00000 16.95238 78. RY*( 17) S 3 0.00000 0.94381 79. RY*( 18) S 3 0.00000 2.28047 80. RY*( 19) S 3 0.00000 181.75887 81. RY*( 20) S 3 0.00000 2.06412 82. RY*( 21) S 3 0.00000 0.69735 83. RY*( 22) S 3 0.00000 2.22301 84. RY*( 23) S 3 0.00000 0.82392 85. RY*( 24) S 3 0.00000 2.30345 86. RY*( 25) S 3 0.00000 0.53204 87. RY*( 26) S 3 0.00000 2.29992 88. RY*( 1) H 4 0.00099 1.44678 89. RY*( 2) H 4 0.00090 1.02634 90. RY*( 3) H 4 0.00059 1.19981 91. RY*( 4) H 4 0.00014 1.83989 92. RY*( 5) H 4 0.00001 2.16385 93. RY*( 1) H 5 0.00176 0.68125 94. RY*( 2) H 5 0.00017 2.08352 95. RY*( 3) H 5 0.00011 1.99978 96. RY*( 4) H 5 0.00004 2.35207 97. RY*( 5) H 5 0.00005 2.44259 98. RY*( 1) H 6 0.00176 0.68125 99. RY*( 2) H 6 0.00017 2.08352 100. RY*( 3) H 6 0.00011 1.99978 101. RY*( 4) H 6 0.00004 2.35207 102. RY*( 5) H 6 0.00005 2.44259 103. RY*( 1) H 7 0.00050 0.85797 104. RY*( 2) H 7 0.00013 2.02940 105. RY*( 3) H 7 0.00011 1.91614 106. RY*( 4) H 7 0.00005 2.14222 107. RY*( 5) H 7 0.00002 2.51617 108. RY*( 1) H 8 0.00100 0.75572 109. RY*( 2) H 8 0.00017 2.00878 110. RY*( 3) H 8 0.00010 1.95538 111. RY*( 4) H 8 0.00007 2.23778 112. RY*( 5) H 8 0.00004 2.55178 113. RY*( 1) H 9 0.00100 0.75572 114. RY*( 2) H 9 0.00017 2.00878 115. RY*( 3) H 9 0.00010 1.95538 116. RY*( 4) H 9 0.00007 2.23778 117. RY*( 5) H 9 0.00004 2.55178 118. BD*( 1) C 1 - C 2 0.00614 0.37034 119. BD*( 1) C 1 - H 7 0.00739 0.39137 120. BD*( 1) C 1 - H 8 0.00918 0.39363 121. BD*( 1) C 1 - H 9 0.00918 0.39363 122. BD*( 1) C 2 - S 3 0.01635 0.14225 123. BD*( 1) C 2 - H 5 0.02198 0.38613 124. BD*( 1) C 2 - H 6 0.02198 0.38613 125. BD*( 1) S 3 - H 4 0.00557 0.18501 ------------------------------- Total Lewis 33.87073 ( 99.6198%) Valence non-Lewis 0.09775 ( 0.2875%) Rydberg non-Lewis 0.03152 ( 0.0927%) ------------------------------- Total unit 1 34.00000 (100.0000%) Charge unit 1 0.00000 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-0\SP\RB3LYP\6-311+G(2d,p)\C2H6S1\ESSELMAN\24-Jul-20 26\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)\\C2H6S etha nethiol\\0,1\C\C,1,1.523387664\S,2,1.846890099,1,109.3606506\H,3,1.343 697876,2,97.07381173,1,180.,0\H,2,1.089808669,1,110.6793814,3,119.6376 858,0\H,2,1.089808669,1,110.6793814,3,-119.6376858,0\H,1,1.092629812,2 ,110.0143181,3,180.,0\H,1,1.092017031,2,111.3000332,3,-60.35116385,0\H ,1,1.092017031,2,111.3000332,3,60.35116385,0\\Version=ES64L-G16RevC.01 \State=1-A'\HF=-478.0731715\RMSD=5.029e-09\Dipole=-0.6744853,0.,0.0381 887\Quadrupole=-0.6109087,-1.2893005,1.9002093,0.,0.0353989,0.\PG=CS [ SG(C2H2S1),X(H4)]\\@ The archive entry for this job was punched. I DON'T PRETEND TO UNDERSTAND THE UNIVERSE -- IT'S A GREAT DEAL BIGGER THAN I AM. -- ATTR. TO WILLIAM ALLINGHAM (1828-89) Job cpu time: 0 days 0 hours 1 minutes 29.1 seconds. Elapsed time: 0 days 0 hours 0 minutes 6.1 seconds. File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 16 at Fri Jul 24 07:01:26 2026.