Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/392035/Gau-2622097.inp" -scrdir="/scratch/webmo-1704971/392035/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 2622098. 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 7-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; ------------------- C2H5Cl chloroethane ------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 Cl 2 B2 1 A1 H 2 B3 1 A2 3 D1 0 H 2 B4 1 A3 3 D2 0 H 1 B5 2 A4 3 D3 0 H 1 B6 2 A5 3 D4 0 H 1 B7 2 A6 3 D5 0 Variables: B1 1.51333 B2 1.82416 B3 1.0876 B4 1.0876 B5 1.09444 B6 1.09071 B7 1.09071 A1 111.53019 A2 112.30408 A3 112.30408 A4 109.25751 A5 111.22854 A6 111.22854 D1 118.22299 D2 -118.22299 D3 180. D4 -60.50604 D5 60.50604 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 1.513333 3 17 0 1.696880 0.000000 2.182785 4 1 0 -0.475848 0.886599 1.926100 5 1 0 -0.475848 -0.886599 1.926100 6 1 0 -1.033204 0.000000 -0.360963 7 1 0 0.500553 0.884942 -0.394934 8 1 0 0.500553 -0.884942 -0.394934 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.513333 0.000000 3 Cl 2.764770 1.824162 0.000000 4 H 2.173097 1.087596 2.360655 0.000000 5 H 2.173097 1.087596 2.360655 1.773198 0.000000 6 H 1.094443 2.140210 3.731489 2.515424 2.515424 7 H 1.090710 2.162212 2.976400 2.518047 3.078785 8 H 1.090710 2.162212 2.976400 3.078785 2.518047 6 7 8 6 H 0.000000 7 H 1.771070 0.000000 8 H 1.771070 1.769884 0.000000 Stoichiometry C2H5Cl Framework group CS[SG(C2HCl),X(H4)] Deg. of freedom 11 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 1.506963 0.684263 0.000000 2 6 0 0.000000 0.822969 0.000000 3 17 0 -0.822163 -0.805409 0.000000 4 1 0 -0.367415 1.334647 0.886599 5 1 0 -0.367415 1.334647 -0.886599 6 1 0 1.961106 1.680034 0.000000 7 1 0 1.854356 0.149619 0.884942 8 1 0 1.854356 0.149619 -0.884942 --------------------------------------------------------------------- Rotational constants (GHZ): 31.5700348 5.3629902 4.8632991 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 0.1058190000D+06 0.7380002465D-03 0.1587200000D+05 0.5718001910D-02 0.3619650000D+04 0.2949500985D-01 0.1030800000D+04 0.1172860392D+00 0.3399080000D+03 0.3629491212D+00 0.1245380000D+03 0.5841491951D+00 S 3 1.00 0.000000000000 0.1245380000D+03 0.1341769734D+00 0.4951350000D+02 0.6242498762D+00 0.2080560000D+02 0.2917559421D+00 S 1 1.00 0.000000000000 0.6583460000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.2564680000D+01 0.1000000000D+01 S 1 1.00 0.000000000000 0.5597630000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1832730000D+00 0.1000000000D+01 SP 1 1.00 0.000000000000 0.4830000000D-01 0.1000000000D+01 0.1000000000D+01 P 5 1.00 0.000000000000 0.5897760000D+03 0.3665569355D-02 0.1398490000D+03 0.2836791942D-01 0.4514130000D+02 0.1247566028D+00 0.1687330000D+02 0.3396546305D+00 0.2771520000D+01 0.7475859630D+00 P 2 1.00 0.000000000000 0.6741100000D+01 -0.1572243813D+01 0.2771520000D+01 0.9923888817D+00 P 1 1.00 0.000000000000 0.1023870000D+01 0.1000000000D+01 P 1 1.00 0.000000000000 0.3813680000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.1094370000D+00 0.1000000000D+01 D 1 1.00 0.000000000000 0.1500000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.3750000000D+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 **** There are 86 symmetry adapted cartesian basis functions of A' symmetry. There are 39 symmetry adapted cartesian basis functions of A" symmetry. There are 80 symmetry adapted basis functions of A' symmetry. There are 39 symmetry adapted basis functions of A" symmetry. 119 basis functions, 183 primitive gaussians, 125 cartesian basis functions 17 alpha electrons 17 beta electrons nuclear repulsion energy 102.0621747667 Hartrees. NAtoms= 8 NActive= 8 NUniq= 6 SFac= 1.78D+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= 119 RedAO= T EigKep= 1.44D-04 NBF= 80 39 NBsUse= 119 1.00D-06 EigRej= -1.00D+00 NBFU= 80 39 ExpMin= 4.38D-02 ExpMax= 1.06D+05 ExpMxC= 3.62D+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') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=40734630. 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) = -539.483964932 A.U. after 11 cycles NFock= 11 Conv=0.44D-08 -V/T= 2.0028 ********************************************************************** 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') The electronic state is 1-A'. Alpha occ. eigenvalues -- -101.53673 -10.23550 -10.17971 -9.45079 -7.21519 Alpha occ. eigenvalues -- -7.20571 -7.20564 -0.85530 -0.74945 -0.62693 Alpha occ. eigenvalues -- -0.48291 -0.45660 -0.41707 -0.38385 -0.37573 Alpha occ. eigenvalues -- -0.29987 -0.29829 Alpha virt. eigenvalues -- -0.00403 0.01084 0.02674 0.03873 0.04363 Alpha virt. eigenvalues -- 0.07204 0.07858 0.08116 0.09526 0.09716 Alpha virt. eigenvalues -- 0.11309 0.12155 0.15118 0.15357 0.17540 Alpha virt. eigenvalues -- 0.20021 0.22444 0.22852 0.23490 0.36838 Alpha virt. eigenvalues -- 0.37217 0.39692 0.40160 0.41846 0.46032 Alpha virt. eigenvalues -- 0.46356 0.46436 0.47425 0.49402 0.53162 Alpha virt. eigenvalues -- 0.53225 0.53537 0.59333 0.59814 0.60054 Alpha virt. eigenvalues -- 0.63905 0.68713 0.72530 0.77687 0.78457 Alpha virt. eigenvalues -- 0.84487 0.89393 0.91485 0.96292 1.04038 Alpha virt. eigenvalues -- 1.13658 1.16617 1.17618 1.23792 1.24430 Alpha virt. eigenvalues -- 1.30789 1.44343 1.61229 1.70240 1.70722 Alpha virt. eigenvalues -- 1.78440 1.89570 1.98494 2.10970 2.12503 Alpha virt. eigenvalues -- 2.21810 2.23054 2.24787 2.31035 2.34780 Alpha virt. eigenvalues -- 2.35077 2.36940 2.37625 2.40193 2.41437 Alpha virt. eigenvalues -- 2.44607 2.51529 2.53492 2.62011 2.65313 Alpha virt. eigenvalues -- 2.66905 2.73016 2.75401 2.78403 3.12068 Alpha virt. eigenvalues -- 3.18919 3.20817 3.22838 3.27726 3.34244 Alpha virt. eigenvalues -- 3.39215 3.40563 3.43841 3.49855 3.53426 Alpha virt. eigenvalues -- 3.75983 4.18129 4.20151 4.21418 4.43046 Alpha virt. eigenvalues -- 9.76124 23.81600 23.96551 25.89793 25.94812 Alpha virt. eigenvalues -- 26.88339 215.75295 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -101.53673 -10.23550 -10.17971 -9.45079 -7.21519 1 1 C 1S 0.00000 0.00126 0.56295 0.00001 -0.00000 2 2S -0.00000 0.00100 0.46314 0.00001 0.00001 3 2PX -0.00001 -0.00051 -0.00035 -0.00010 -0.00000 4 2PY -0.00001 0.00001 0.00010 -0.00011 -0.00002 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00000 0.00073 0.01987 -0.00013 -0.00007 7 3PX 0.00004 0.00107 0.00145 0.00060 0.00006 8 3PY 0.00004 0.00029 -0.00016 0.00069 0.00013 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 0.00003 0.00366 -0.00788 0.00075 0.00003 11 4PX 0.00001 -0.00012 0.00202 0.00009 -0.00005 12 4PY 0.00008 0.00059 -0.00004 0.00139 0.00005 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S -0.00077 -0.00027 -0.01093 -0.01607 -0.00023 15 5PX 0.00020 -0.00005 0.00134 0.00420 0.00010 16 5PY -0.00004 0.00022 -0.00012 -0.00079 0.00007 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00001 0.00005 0.00008 0.00013 0.00002 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 -0.00011 0.00004 -0.00001 22 6D-2 -0.00000 -0.00003 0.00001 -0.00007 -0.00001 23 7D 0 -0.00006 -0.00006 0.00072 -0.00105 -0.00020 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 -0.00005 -0.00175 -0.00134 -0.00083 -0.00008 27 7D-2 0.00004 0.00085 0.00019 0.00070 0.00015 28 2 C 1S 0.00000 0.56305 -0.00128 -0.00002 -0.00002 29 2S -0.00000 0.46328 -0.00111 -0.00006 -0.00006 30 2PX -0.00000 -0.00024 0.00049 -0.00005 -0.00006 31 2PY -0.00001 -0.00114 -0.00008 -0.00027 -0.00013 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.00003 0.01920 0.00070 -0.00059 0.00031 34 3PX -0.00002 -0.00049 -0.00074 -0.00032 0.00001 35 3PY 0.00002 0.00290 0.00039 0.00040 0.00009 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00050 -0.00998 0.00412 0.00894 -0.00057 38 4PX -0.00014 -0.00137 -0.00044 -0.00274 0.00026 39 4PY -0.00022 0.00312 -0.00011 -0.00410 0.00070 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.00041 -0.00499 0.00837 -0.00808 0.00085 42 5PX 0.00042 0.00127 0.00221 0.00863 -0.00014 43 5PY 0.00036 -0.00011 -0.00050 0.00738 -0.00036 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00000 0.00024 0.00000 -0.00003 -0.00004 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 0.00004 0.00008 -0.00003 -0.00005 49 6D-2 0.00001 -0.00026 -0.00007 0.00004 0.00004 50 7D 0 0.00003 0.00255 0.00100 0.00052 0.00030 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 0.00021 -0.00134 -0.00003 0.00025 54 7D-2 -0.00001 -0.00137 0.00024 -0.00005 -0.00027 55 3 Cl 1S 0.41161 -0.00000 0.00000 -0.12180 0.00064 56 2S 0.65408 -0.00001 0.00000 -0.32696 0.00173 57 3S 0.01500 0.00004 -0.00001 0.49762 -0.00277 58 4S -0.00398 -0.00005 0.00001 0.61044 -0.00320 59 5S 0.00155 -0.00027 0.00014 0.05957 -0.00016 60 6S -0.00123 0.00329 -0.00104 -0.02697 0.00096 61 7S 0.00128 0.00309 -0.00067 0.02649 -0.00065 62 7PX 0.00023 -0.00023 -0.00024 0.00459 -0.00005 63 7PY 0.00049 0.00039 -0.00014 0.00968 -0.00022 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00003 0.00000 -0.00001 0.00171 0.35652 66 8PY 0.00005 -0.00006 -0.00004 0.00348 0.72125 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 -0.00001 -0.00065 -0.12077 69 9PY 0.00000 -0.00002 -0.00001 -0.00131 -0.24433 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX -0.00001 -0.00011 0.00009 0.00047 0.02351 72 10PY -0.00003 0.00004 0.00018 0.00095 0.04759 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX -0.00000 0.00077 -0.00036 -0.00025 -0.00019 75 11PY -0.00000 0.00105 -0.00053 -0.00057 -0.00048 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX -0.00016 0.00124 0.00012 -0.00280 0.00012 78 12PY -0.00032 0.00161 -0.00033 -0.00586 0.00032 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 -0.00001 -0.00004 0.00005 -0.00050 -0.00032 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 -0.00010 -0.00005 -0.00053 -0.00034 84 13D-2 0.00002 0.00005 0.00001 0.00071 0.00044 85 14D 0 0.00004 -0.00029 -0.00009 0.00074 -0.00009 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 0.00005 -0.00001 0.00023 0.00085 -0.00008 89 14D-2 -0.00006 0.00039 -0.00021 -0.00110 0.00013 90 4 H 1S 0.00000 0.00008 -0.00003 0.00006 -0.00004 91 2S -0.00011 -0.00502 -0.00137 -0.00197 -0.00011 92 3S 0.00003 0.00381 -0.00022 0.00051 -0.00007 93 4PX -0.00000 -0.00084 -0.00014 -0.00004 -0.00003 94 4PY 0.00002 0.00110 0.00018 0.00031 -0.00000 95 4PZ 0.00001 0.00202 0.00024 0.00020 0.00002 96 5 H 1S 0.00000 0.00008 -0.00003 0.00006 -0.00004 97 2S -0.00011 -0.00502 -0.00137 -0.00197 -0.00011 98 3S 0.00003 0.00381 -0.00022 0.00051 -0.00007 99 4PX -0.00000 -0.00084 -0.00014 -0.00004 -0.00003 100 4PY 0.00002 0.00110 0.00018 0.00031 -0.00000 101 4PZ -0.00001 -0.00202 -0.00024 -0.00020 -0.00002 102 6 H 1S -0.00000 -0.00015 0.00023 -0.00007 -0.00002 103 2S -0.00012 -0.00218 -0.00387 -0.00216 -0.00027 104 3S 0.00004 -0.00001 0.00362 0.00070 0.00004 105 4PX 0.00001 0.00012 0.00079 0.00017 0.00003 106 4PY 0.00002 0.00044 0.00200 0.00042 0.00006 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 7 H 1S 0.00001 -0.00002 0.00022 0.00020 0.00001 109 2S -0.00001 -0.00044 -0.00385 -0.00015 0.00013 110 3S 0.00005 0.00030 0.00366 0.00117 -0.00000 111 4PX 0.00001 0.00001 0.00059 0.00013 -0.00001 112 4PY 0.00001 0.00002 -0.00107 0.00020 0.00004 113 4PZ 0.00001 0.00017 0.00180 0.00008 -0.00001 114 8 H 1S 0.00001 -0.00002 0.00022 0.00020 0.00001 115 2S -0.00001 -0.00044 -0.00385 -0.00015 0.00013 116 3S 0.00005 0.00030 0.00366 0.00117 -0.00000 117 4PX 0.00001 0.00001 0.00059 0.00013 -0.00001 118 4PY 0.00001 0.00002 -0.00107 0.00020 0.00004 119 4PZ -0.00001 -0.00017 -0.00180 -0.00008 0.00001 6 7 8 9 10 O O O O O Eigenvalues -- -7.20571 -7.20564 -0.85530 -0.74945 -0.62693 1 1 C 1S -0.00000 0.00000 -0.03483 0.08388 0.05949 2 2S 0.00000 0.00000 -0.05368 0.12991 0.09266 3 2PX -0.00000 0.00000 -0.02106 0.01509 -0.05829 4 2PY -0.00001 0.00000 -0.00086 -0.00781 0.01422 5 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 6 3S -0.00004 0.00000 0.13778 -0.33879 -0.24645 7 3PX 0.00002 0.00000 -0.03864 0.02852 -0.07877 8 3PY 0.00004 0.00000 -0.00494 -0.01377 0.01862 9 3PZ 0.00000 0.00003 0.00000 0.00000 0.00000 10 4S 0.00016 0.00000 0.07463 -0.18619 -0.16919 11 4PX -0.00009 0.00000 -0.01497 0.00124 -0.04326 12 4PY -0.00016 0.00000 -0.00728 -0.01122 0.00643 13 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 14 5S -0.00038 0.00000 0.06700 -0.02356 -0.12196 15 5PX 0.00010 0.00000 -0.01389 -0.00070 0.02871 16 5PY 0.00006 0.00000 0.00298 0.00040 -0.00260 17 5PZ 0.00000 -0.00002 0.00000 0.00000 0.00000 18 6D 0 0.00001 0.00000 -0.00212 0.00137 -0.00317 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 0.00275 -0.00230 0.00472 22 6D-2 -0.00002 0.00000 0.00020 0.00122 -0.00166 23 7D 0 -0.00003 0.00000 0.00193 0.00482 -0.00123 24 7D+1 0.00000 0.00003 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.00006 0.00000 0.00000 0.00000 26 7D+2 0.00001 0.00000 0.00965 -0.00255 0.00573 27 7D-2 0.00010 0.00000 -0.00191 0.00239 -0.00265 28 2 C 1S -0.00000 0.00000 -0.06604 0.04601 -0.07365 29 2S -0.00000 0.00000 -0.10217 0.07150 -0.11522 30 2PX 0.00000 0.00000 -0.00419 -0.05207 -0.05064 31 2PY -0.00000 0.00000 -0.02373 -0.02732 0.04563 32 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 33 3S 0.00002 0.00000 0.27201 -0.18986 0.31587 34 3PX 0.00001 0.00000 -0.00503 -0.08004 -0.07091 35 3PY -0.00000 0.00000 -0.05033 -0.03749 0.05271 36 3PZ 0.00000 0.00004 0.00000 0.00000 0.00000 37 4S -0.00012 0.00000 0.09891 -0.13437 0.21894 38 4PX 0.00005 0.00000 0.00447 -0.03131 -0.04105 39 4PY 0.00013 0.00000 -0.00226 -0.00564 0.02950 40 4PZ 0.00000 0.00017 0.00000 0.00000 0.00000 41 5S 0.00074 0.00000 0.04682 0.05627 0.14132 42 5PX -0.00005 0.00000 -0.03769 -0.00200 0.02632 43 5PY -0.00018 0.00000 -0.02743 -0.01921 -0.00290 44 5PZ 0.00000 -0.00005 0.00000 0.00000 0.00000 45 6D 0 -0.00000 0.00000 -0.00291 -0.00018 0.00562 46 6D+1 0.00000 -0.00001 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00002 0.00000 0.00000 0.00000 48 6D+2 -0.00002 0.00000 -0.00054 -0.00700 -0.00131 49 6D-2 -0.00002 0.00000 0.00258 0.00421 -0.00219 50 7D 0 0.00004 0.00000 -0.01142 0.00151 0.00125 51 7D+1 0.00000 -0.00003 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00003 0.00000 0.00000 0.00000 53 7D+2 0.00002 0.00000 -0.00383 -0.00924 -0.00187 54 7D-2 0.00003 0.00000 0.00914 0.00662 0.00409 55 3 Cl 1S -0.00000 0.00000 0.02853 0.02155 -0.01211 56 2S -0.00000 0.00000 0.08164 0.06176 -0.03475 57 3S 0.00001 0.00000 -0.16524 -0.12573 0.07135 58 4S -0.00000 0.00000 -0.30604 -0.23241 0.13095 59 5S -0.00000 0.00000 0.46215 0.35871 -0.20590 60 6S 0.00010 0.00000 0.41541 0.33535 -0.21038 61 7S -0.00039 0.00000 -0.10254 -0.04669 -0.02623 62 7PX 0.00012 0.00000 -0.01829 -0.01168 -0.00132 63 7PY -0.00018 0.00000 -0.04221 -0.02050 -0.00686 64 7PZ 0.00000 0.00016 0.00000 0.00000 0.00000 65 8PX 0.72155 0.00000 -0.01630 0.00599 -0.00898 66 8PY -0.35666 0.00000 -0.03041 0.00359 -0.04055 67 8PZ 0.00000 0.80488 0.00000 0.00000 0.00000 68 9PX -0.24453 0.00000 0.00607 -0.00220 0.00326 69 9PY 0.12087 0.00000 0.01133 -0.00126 0.01503 70 9PZ 0.00000 -0.27278 0.00000 0.00000 0.00000 71 10PX 0.04675 0.00000 0.01588 -0.00634 0.00998 72 10PY -0.02313 0.00000 0.02966 -0.00406 0.04336 73 10PZ 0.00000 0.05216 0.00000 0.00000 0.00000 74 11PX -0.00057 0.00000 0.03688 -0.01227 0.01896 75 11PY 0.00034 0.00000 0.06881 -0.00616 0.09109 76 11PZ 0.00000 -0.00069 0.00000 0.00000 0.00000 77 12PX -0.00019 0.00000 0.01387 0.00371 0.00198 78 12PY 0.00009 0.00000 0.03146 0.00934 0.02163 79 12PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 80 13D 0 -0.00000 0.00000 -0.00571 0.00010 -0.00375 81 13D+1 0.00000 0.00027 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00055 0.00000 0.00000 0.00000 83 13D+2 0.00049 0.00000 -0.00537 -0.00122 -0.00666 84 13D-2 0.00037 0.00000 0.00794 -0.00072 0.00387 85 14D 0 0.00000 0.00000 -0.01393 -0.00166 -0.00550 86 14D+1 0.00000 -0.00006 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00012 0.00000 0.00000 0.00000 88 14D+2 -0.00011 0.00000 -0.01445 -0.00457 -0.01319 89 14D-2 -0.00007 0.00000 0.02009 0.00143 0.00575 90 4 H 1S 0.00000 -0.00001 0.03908 -0.03298 0.08992 91 2S -0.00000 -0.00008 0.05838 -0.03543 0.11569 92 3S -0.00007 -0.00001 -0.01101 0.00008 -0.00137 93 4PX -0.00001 -0.00001 0.00308 -0.00456 0.00361 94 4PY 0.00001 -0.00000 -0.00666 0.00153 -0.00610 95 4PZ -0.00000 -0.00000 -0.00837 0.00507 -0.01465 96 5 H 1S 0.00000 0.00001 0.03908 -0.03298 0.08992 97 2S -0.00000 0.00008 0.05838 -0.03543 0.11569 98 3S -0.00007 0.00001 -0.01101 0.00008 -0.00137 99 4PX -0.00001 0.00001 0.00308 -0.00456 0.00361 100 4PY 0.00001 0.00000 -0.00666 0.00153 -0.00610 101 4PZ 0.00000 -0.00000 0.00837 -0.00507 0.01465 102 6 H 1S -0.00001 0.00000 0.01856 -0.06335 -0.05959 103 2S -0.00005 0.00000 0.03095 -0.07258 -0.07258 104 3S 0.00009 0.00000 -0.00638 0.00579 -0.00379 105 4PX -0.00001 0.00000 -0.00346 0.00569 0.00133 106 4PY 0.00003 0.00000 -0.00512 0.01078 0.01057 107 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 108 7 H 1S 0.00001 -0.00000 0.01975 -0.05798 -0.06818 109 2S -0.00006 -0.00007 0.02238 -0.07006 -0.08710 110 3S 0.00002 0.00003 -0.00814 0.00241 -0.00333 111 4PX 0.00002 0.00001 -0.00242 0.00415 0.00178 112 4PY 0.00001 -0.00000 0.00106 -0.00671 -0.00580 113 4PZ 0.00000 0.00001 -0.00371 0.00938 0.01056 114 8 H 1S 0.00001 0.00000 0.01975 -0.05798 -0.06818 115 2S -0.00006 0.00007 0.02238 -0.07006 -0.08710 116 3S 0.00002 -0.00003 -0.00814 0.00241 -0.00333 117 4PX 0.00002 -0.00001 -0.00242 0.00415 0.00178 118 4PY 0.00001 0.00000 0.00106 -0.00671 -0.00580 119 4PZ -0.00000 0.00001 0.00371 -0.00938 -0.01056 11 12 13 14 15 O O O O O Eigenvalues -- -0.48291 -0.45660 -0.41707 -0.38385 -0.37573 1 1 C 1S 0.00000 -0.00164 -0.00090 0.00000 0.00055 2 2S 0.00000 -0.00242 -0.00182 0.00000 0.00082 3 2PX 0.00000 0.05872 -0.16436 0.00000 0.01578 4 2PY 0.00000 0.14014 0.06332 0.00000 0.13789 5 2PZ 0.11742 0.00000 0.00000 0.17290 0.00000 6 3S 0.00000 0.00447 0.00960 0.00000 -0.00167 7 3PX 0.00000 0.08543 -0.23841 0.00000 0.01935 8 3PY 0.00000 0.19505 0.09162 0.00000 0.18369 9 3PZ 0.16233 0.00000 0.00000 0.23525 0.00000 10 4S 0.00000 0.01803 -0.01071 0.00000 -0.00371 11 4PX 0.00000 0.04496 -0.16149 0.00000 0.01628 12 4PY 0.00000 0.11697 0.06479 0.00000 0.13755 13 4PZ 0.10061 0.00000 0.00000 0.17646 0.00000 14 5S 0.00000 -0.04790 -0.02345 0.00000 0.03746 15 5PX 0.00000 0.01427 0.00050 0.00000 -0.00932 16 5PY 0.00000 0.01476 0.00324 0.00000 0.01258 17 5PZ 0.00855 0.00000 0.00000 0.02208 0.00000 18 6D 0 0.00000 -0.00434 -0.00870 0.00000 -0.00763 19 6D+1 -0.00109 0.00000 0.00000 0.00958 0.00000 20 6D-1 -0.00549 0.00000 0.00000 -0.01088 0.00000 21 6D+2 0.00000 -0.00696 0.00928 0.00000 -0.00327 22 6D-2 0.00000 0.00249 0.00034 0.00000 0.01006 23 7D 0 0.00000 -0.00013 -0.01126 0.00000 -0.00233 24 7D+1 -0.01440 0.00000 0.00000 0.01655 0.00000 25 7D-1 0.00579 0.00000 0.00000 -0.00903 0.00000 26 7D+2 0.00000 -0.00709 0.00897 0.00000 0.00123 27 7D-2 0.00000 -0.00443 -0.00600 0.00000 0.01373 28 2 C 1S 0.00000 0.00915 -0.01070 0.00000 0.00355 29 2S 0.00000 0.01477 -0.01737 0.00000 0.00547 30 2PX 0.00000 -0.03524 0.17658 0.00000 -0.00982 31 2PY 0.00000 0.12053 -0.00598 0.00000 -0.11306 32 2PZ 0.17198 0.00000 0.00000 -0.10805 0.00000 33 3S 0.00000 -0.04587 0.05393 0.00000 -0.01332 34 3PX 0.00000 -0.04678 0.26156 0.00000 -0.02217 35 3PY 0.00000 0.18561 -0.00105 0.00000 -0.17501 36 3PZ 0.23931 0.00000 0.00000 -0.14802 0.00000 37 4S 0.00000 -0.04447 -0.00221 0.00000 0.00800 38 4PX 0.00000 -0.03415 0.16408 0.00000 -0.01912 39 4PY 0.00000 0.13067 -0.00641 0.00000 -0.13526 40 4PZ 0.13786 0.00000 0.00000 -0.11196 0.00000 41 5S 0.00000 0.03053 -0.05225 0.00000 -0.03469 42 5PX 0.00000 0.01290 0.01288 0.00000 -0.00816 43 5PY 0.00000 0.00059 0.01330 0.00000 0.00295 44 5PZ 0.01313 0.00000 0.00000 -0.01935 0.00000 45 6D 0 0.00000 0.00562 -0.00556 0.00000 -0.00696 46 6D+1 -0.00330 0.00000 0.00000 0.01085 0.00000 47 6D-1 0.00682 0.00000 0.00000 -0.00620 0.00000 48 6D+2 0.00000 0.00099 0.00824 0.00000 -0.00245 49 6D-2 0.00000 0.00102 -0.00134 0.00000 0.01063 50 7D 0 0.00000 0.00879 -0.00360 0.00000 -0.01651 51 7D+1 0.00187 0.00000 0.00000 0.02876 0.00000 52 7D-1 -0.01005 0.00000 0.00000 -0.00095 0.00000 53 7D+2 0.00000 0.00921 0.00145 0.00000 -0.00976 54 7D-2 0.00000 0.01011 -0.00974 0.00000 0.03226 55 3 Cl 1S 0.00000 0.00641 0.00310 0.00000 -0.00281 56 2S 0.00000 0.01847 0.00893 0.00000 -0.00814 57 3S 0.00000 -0.03848 -0.01863 0.00000 0.01739 58 4S 0.00000 -0.06915 -0.03365 0.00000 0.02909 59 5S 0.00000 0.10865 0.05360 0.00000 -0.04066 60 6S 0.00000 0.14693 0.07394 0.00000 -0.09913 61 7S 0.00000 0.04185 0.06305 0.00000 -0.02473 62 7PX 0.00000 0.01398 0.00687 0.00000 -0.00821 63 7PY 0.00000 0.01467 0.02390 0.00000 -0.01746 64 7PZ -0.00980 0.00000 0.00000 0.01003 0.00000 65 8PX 0.00000 0.07561 -0.02010 0.00000 -0.06181 66 8PY 0.00000 0.06611 0.08253 0.00000 -0.12805 67 8PZ -0.04606 0.00000 0.00000 0.05718 0.00000 68 9PX 0.00000 -0.02828 0.00761 0.00000 0.02307 69 9PY 0.00000 -0.02462 -0.03089 0.00000 0.04781 70 9PZ 0.01734 0.00000 0.00000 -0.02153 0.00000 71 10PX 0.00000 -0.08442 0.02227 0.00000 0.07071 72 10PY 0.00000 -0.07411 -0.09298 0.00000 0.14690 73 10PZ 0.05028 0.00000 0.00000 -0.06454 0.00000 74 11PX 0.00000 -0.17796 0.05002 0.00000 0.14666 75 11PY 0.00000 -0.15402 -0.19668 0.00000 0.30158 76 11PZ 0.11083 0.00000 0.00000 -0.13981 0.00000 77 12PX 0.00000 -0.07173 0.02534 0.00000 0.06903 78 12PY 0.00000 -0.05785 -0.08841 0.00000 0.14848 79 12PZ 0.04842 0.00000 0.00000 -0.07234 0.00000 80 13D 0 0.00000 0.00662 0.00345 0.00000 -0.00676 81 13D+1 0.00434 0.00000 0.00000 -0.00176 0.00000 82 13D-1 0.00842 0.00000 0.00000 -0.00693 0.00000 83 13D+2 0.00000 0.00056 0.01075 0.00000 -0.00711 84 13D-2 0.00000 -0.01212 0.00048 0.00000 0.01065 85 14D 0 0.00000 0.01255 0.00618 0.00000 -0.01051 86 14D+1 0.00945 0.00000 0.00000 -0.00260 0.00000 87 14D-1 0.02029 0.00000 0.00000 -0.01581 0.00000 88 14D+2 0.00000 0.00099 0.02113 0.00000 -0.01062 89 14D-2 0.00000 -0.02214 0.00332 0.00000 0.01907 90 4 H 1S 0.10925 0.04631 -0.04152 -0.08427 -0.05450 91 2S 0.16006 0.06065 -0.05806 -0.11979 -0.07326 92 3S 0.03574 0.01638 -0.01287 -0.05748 -0.04416 93 4PX 0.00840 0.00076 0.00753 -0.00559 -0.00347 94 4PY -0.00948 0.00439 0.00282 0.00577 -0.00408 95 4PZ -0.00823 -0.00628 0.00610 0.00475 0.00565 96 5 H 1S -0.10925 0.04631 -0.04152 0.08427 -0.05450 97 2S -0.16006 0.06065 -0.05806 0.11979 -0.07326 98 3S -0.03574 0.01638 -0.01287 0.05748 -0.04416 99 4PX -0.00840 0.00076 0.00753 0.00559 -0.00347 100 4PY 0.00948 0.00439 0.00282 -0.00577 -0.00408 101 4PZ -0.00823 0.00628 -0.00610 0.00475 -0.00565 102 6 H 1S 0.00000 0.12775 -0.00874 0.00000 0.12638 103 2S 0.00000 0.18201 -0.01342 0.00000 0.19238 104 3S 0.00000 0.06084 -0.00242 0.00000 0.09133 105 4PX 0.00000 -0.00729 -0.00776 0.00000 -0.00933 106 4PY 0.00000 -0.01283 0.00440 0.00000 -0.01195 107 4PZ 0.00629 0.00000 0.00000 0.01061 0.00000 108 7 H 1S 0.07428 -0.03851 -0.07183 0.13046 -0.06064 109 2S 0.10895 -0.05624 -0.10063 0.18632 -0.09014 110 3S 0.01913 -0.01154 -0.03230 0.08612 -0.04368 111 4PX -0.00490 0.00561 -0.00587 -0.00743 0.00494 112 4PY 0.00740 0.00460 -0.00209 0.01130 0.00271 113 4PZ -0.00587 0.00621 0.00986 -0.00746 0.00831 114 8 H 1S -0.07428 -0.03851 -0.07183 -0.13046 -0.06064 115 2S -0.10895 -0.05624 -0.10063 -0.18632 -0.09014 116 3S -0.01913 -0.01154 -0.03230 -0.08612 -0.04368 117 4PX 0.00490 0.00561 -0.00587 0.00743 0.00494 118 4PY -0.00740 0.00460 -0.00209 -0.01130 0.00271 119 4PZ -0.00587 -0.00621 -0.00986 -0.00746 -0.00831 16 17 18 19 20 O O V V V Eigenvalues -- -0.29987 -0.29829 -0.00403 0.01084 0.02674 1 1 C 1S 0.01330 0.00000 0.01818 0.02525 -0.02413 2 2S 0.02147 0.00000 0.02997 0.04165 -0.03976 3 2PX 0.06800 0.00000 -0.04512 -0.01771 0.01035 4 2PY 0.01504 0.00000 -0.01033 -0.00065 0.00144 5 2PZ 0.00000 0.01288 0.00000 0.00000 0.00000 6 3S -0.06518 0.00000 -0.08972 -0.13055 0.13169 7 3PX 0.10062 0.00000 -0.06953 -0.04114 0.03108 8 3PY 0.02694 0.00000 -0.01785 -0.01143 -0.00149 9 3PZ 0.00000 0.01664 0.00000 0.00000 0.00000 10 4S -0.04948 0.00000 -0.32608 -0.26020 0.12583 11 4PX 0.06732 0.00000 -0.06373 -0.06496 0.15331 12 4PY 0.02422 0.00000 -0.01016 -0.03392 -0.05227 13 4PZ 0.00000 -0.00516 0.00000 0.00000 0.00000 14 5S 0.00448 0.00000 1.68161 0.94397 3.01755 15 5PX 0.01020 0.00000 -0.26382 0.40358 -1.69076 16 5PY -0.01912 0.00000 -0.02136 0.33486 0.06591 17 5PZ 0.00000 -0.00311 0.00000 0.00000 0.00000 18 6D 0 0.00074 0.00000 0.00312 -0.00199 0.00004 19 6D+1 0.00000 0.00280 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00260 0.00000 0.00000 0.00000 21 6D+2 -0.00483 0.00000 -0.00302 0.00146 -0.00321 22 6D-2 0.00246 0.00000 -0.00442 0.00795 0.00517 23 7D 0 -0.00555 0.00000 0.01148 0.00302 0.02910 24 7D+1 0.00000 0.00512 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.00089 0.00000 0.00000 0.00000 26 7D+2 -0.00720 0.00000 -0.00920 0.02985 -0.03520 27 7D-2 -0.00128 0.00000 -0.01861 0.01236 0.01257 28 2 C 1S 0.00131 0.00000 0.04664 -0.02103 0.01872 29 2S 0.00231 0.00000 0.07656 -0.03406 0.03092 30 2PX -0.05920 0.00000 0.07451 -0.02516 -0.02245 31 2PY 0.02697 0.00000 0.06795 -0.13032 -0.05992 32 2PZ 0.00000 -0.07547 0.00000 0.00000 0.00000 33 3S -0.00747 0.00000 -0.24321 0.11255 -0.10013 34 3PX -0.08474 0.00000 0.11725 -0.03551 -0.01017 35 3PY 0.03694 0.00000 0.09262 -0.19909 -0.09576 36 3PZ 0.00000 -0.09757 0.00000 0.00000 0.00000 37 4S -0.02834 0.00000 -0.61435 0.10787 -0.13575 38 4PX -0.05214 0.00000 0.21688 -0.10106 0.08618 39 4PY 0.01552 0.00000 0.15551 -0.30844 -0.15405 40 4PZ 0.00000 -0.04302 0.00000 0.00000 0.00000 41 5S -0.06552 0.00000 -0.45481 3.32106 -1.26220 42 5PX 0.02384 0.00000 -0.21146 -0.56763 -1.90034 43 5PY 0.04128 0.00000 0.65990 -1.29775 -0.32795 44 5PZ 0.00000 0.01143 0.00000 0.00000 0.00000 45 6D 0 0.00462 0.00000 -0.00065 0.00427 0.00020 46 6D+1 0.00000 0.00243 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.01013 0.00000 0.00000 0.00000 48 6D+2 -0.00851 0.00000 -0.00353 0.00131 0.00192 49 6D-2 -0.00185 0.00000 0.00265 -0.00370 -0.00274 50 7D 0 0.00244 0.00000 -0.02609 0.01977 -0.02196 51 7D+1 0.00000 -0.01161 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.02788 0.00000 0.00000 0.00000 53 7D+2 -0.02972 0.00000 -0.01345 0.00444 0.03873 54 7D-2 -0.01787 0.00000 0.01222 -0.00885 -0.01784 55 3 Cl 1S -0.00001 0.00000 0.00440 -0.00995 -0.00533 56 2S -0.00004 0.00000 0.01269 -0.02873 -0.01534 57 3S 0.00011 0.00000 -0.02660 0.06046 0.03185 58 4S 0.00002 0.00000 -0.05012 0.11294 0.06234 59 5S -0.00003 0.00000 0.09113 -0.19939 -0.11800 60 6S -0.00301 0.00000 0.10865 -0.36329 -0.17325 61 7S 0.07031 0.00000 0.49313 -2.53057 -1.56897 62 7PX -0.01833 0.00000 0.15678 -0.51201 -0.41688 63 7PY 0.02839 0.00000 0.22080 -1.14492 -0.73993 64 7PZ 0.00000 -0.02185 0.00000 0.00000 0.00000 65 8PX -0.19670 0.00000 -0.02762 0.03520 -0.01820 66 8PY 0.09443 0.00000 -0.07450 0.05379 0.01603 67 8PZ 0.00000 -0.21645 0.00000 0.00000 0.00000 68 9PX 0.07412 0.00000 0.01046 -0.01352 0.00626 69 9PY -0.03560 0.00000 0.02837 -0.02104 -0.00620 70 9PZ 0.00000 0.08157 0.00000 0.00000 0.00000 71 10PX 0.22818 0.00000 0.03405 -0.04202 0.02790 72 10PY -0.10956 0.00000 0.09088 -0.06069 -0.01873 73 10PZ 0.00000 0.25128 0.00000 0.00000 0.00000 74 11PX 0.48731 0.00000 0.07158 -0.10118 0.02612 75 11PY -0.23405 0.00000 0.20020 -0.17134 -0.05055 76 11PZ 0.00000 0.53633 0.00000 0.00000 0.00000 77 12PX 0.33481 0.00000 0.08507 -0.14849 0.13897 78 12PY -0.15864 0.00000 0.28152 -0.14968 -0.01137 79 12PZ 0.00000 0.36434 0.00000 0.00000 0.00000 80 13D 0 0.00033 0.00000 0.01867 -0.01382 -0.00207 81 13D+1 0.00000 0.00080 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00006 0.00000 0.00000 0.00000 83 13D+2 0.00052 0.00000 0.02393 -0.01223 -0.00117 84 13D-2 0.00074 0.00000 -0.02394 0.02389 -0.00018 85 14D 0 0.00073 0.00000 0.04779 -0.03118 -0.00655 86 14D+1 0.00000 0.00303 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00096 0.00000 0.00000 0.00000 88 14D+2 0.00182 0.00000 0.05395 -0.03454 -0.00693 89 14D-2 0.00249 0.00000 -0.06036 0.05967 0.00190 90 4 H 1S 0.03217 -0.06532 -0.00510 -0.00707 -0.00296 91 2S 0.05261 -0.11022 0.07485 0.04503 0.06467 92 3S 0.04678 -0.09305 -0.21489 -0.21152 -0.11177 93 4PX -0.00055 -0.00382 0.00464 -0.00361 -0.00984 94 4PY -0.00079 0.00538 0.01269 -0.01179 -0.00203 95 4PZ -0.00369 0.00472 0.00722 0.00538 0.00538 96 5 H 1S 0.03217 0.06532 -0.00510 -0.00707 -0.00296 97 2S 0.05261 0.11022 0.07485 0.04503 0.06467 98 3S 0.04678 0.09305 -0.21489 -0.21152 -0.11177 99 4PX -0.00055 0.00382 0.00464 -0.00361 -0.00984 100 4PY -0.00079 -0.00538 0.01269 -0.01179 -0.00203 101 4PZ 0.00369 0.00472 -0.00722 -0.00538 -0.00538 102 6 H 1S 0.03151 0.00000 -0.02806 0.01858 0.02515 103 2S 0.04193 0.00000 0.02679 0.13299 0.02197 104 3S 0.03750 0.00000 -0.35142 -0.16026 0.17968 105 4PX 0.00406 0.00000 -0.00449 0.00644 -0.00724 106 4PY -0.00176 0.00000 0.01012 0.00137 -0.00708 107 4PZ 0.00000 0.00040 0.00000 0.00000 0.00000 108 7 H 1S 0.00111 0.01706 0.00581 -0.01951 -0.00235 109 2S 0.00350 0.03344 0.06047 0.02182 -0.05136 110 3S 0.00186 0.03134 -0.14882 -0.31185 -0.01282 111 4PX 0.00329 -0.00145 -0.00215 0.00213 -0.00789 112 4PY 0.00050 0.00065 -0.00426 -0.00380 0.00148 113 4PZ 0.00076 -0.00111 0.00656 0.00737 -0.00280 114 8 H 1S 0.00111 -0.01706 0.00581 -0.01951 -0.00235 115 2S 0.00350 -0.03344 0.06047 0.02182 -0.05136 116 3S 0.00186 -0.03134 -0.14882 -0.31185 -0.01282 117 4PX 0.00329 0.00145 -0.00215 0.00213 -0.00789 118 4PY 0.00050 -0.00065 -0.00426 -0.00380 0.00148 119 4PZ -0.00076 -0.00111 -0.00656 -0.00737 0.00280 21 22 23 24 25 V V V V V Eigenvalues -- 0.03873 0.04363 0.07204 0.07858 0.08116 1 1 C 1S 0.00000 0.00260 0.00862 0.00000 -0.00597 2 2S 0.00000 0.00428 0.01328 0.00000 -0.00972 3 2PX 0.00000 -0.00640 0.01830 0.00000 0.00398 4 2PY 0.00000 0.08107 0.00479 0.00000 0.02249 5 2PZ -0.06192 0.00000 0.00000 0.05647 0.00000 6 3S 0.00000 -0.01029 -0.01308 0.00000 0.02798 7 3PX 0.00000 -0.01452 0.01120 0.00000 0.00915 8 3PY 0.00000 0.15147 -0.01080 0.00000 0.02906 9 3PZ -0.12922 0.00000 0.00000 0.09547 0.00000 10 4S 0.00000 -0.07866 -0.44949 0.00000 0.05897 11 4PX 0.00000 0.04581 0.23439 0.00000 0.18703 12 4PY 0.00000 0.32582 0.19913 0.00000 0.18722 13 4PZ -0.17733 0.00000 0.00000 0.18055 0.00000 14 5S 0.00000 -0.36468 -2.05835 0.00000 -6.43918 15 5PX 0.00000 0.04222 -0.34092 0.00000 2.60603 16 5PY 0.00000 -1.07217 1.41837 0.00000 0.42132 17 5PZ 0.82634 0.00000 0.00000 -2.29167 0.00000 18 6D 0 0.00000 0.00072 0.00785 0.00000 -0.00010 19 6D+1 0.00313 0.00000 0.00000 0.00314 0.00000 20 6D-1 0.00119 0.00000 0.00000 -0.00353 0.00000 21 6D+2 0.00000 -0.00123 -0.00200 0.00000 0.00660 22 6D-2 0.00000 -0.00403 0.00012 0.00000 0.00003 23 7D 0 0.00000 -0.03522 0.03992 0.00000 0.00588 24 7D+1 -0.00907 0.00000 0.00000 0.00011 0.00000 25 7D-1 0.05105 0.00000 0.00000 -0.01479 0.00000 26 7D+2 0.00000 -0.02323 -0.02120 0.00000 0.00717 27 7D-2 0.00000 0.00918 0.00233 0.00000 0.01090 28 2 C 1S 0.00000 0.01099 0.01267 0.00000 0.00410 29 2S 0.00000 0.01719 0.02035 0.00000 0.00696 30 2PX 0.00000 0.02294 -0.01957 0.00000 0.03701 31 2PY 0.00000 0.07836 0.00057 0.00000 -0.00597 32 2PZ -0.07730 0.00000 0.00000 -0.06621 0.00000 33 3S 0.00000 -0.04267 -0.05423 0.00000 -0.02996 34 3PX 0.00000 0.03283 -0.00699 0.00000 0.06448 35 3PY 0.00000 0.11881 0.00300 0.00000 -0.01027 36 3PZ -0.14484 0.00000 0.00000 -0.11336 0.00000 37 4S 0.00000 -0.22770 -0.24841 0.00000 0.06437 38 4PX 0.00000 0.08433 0.05879 0.00000 0.14931 39 4PY 0.00000 0.28525 -0.16959 0.00000 -0.14403 40 4PZ -0.36020 0.00000 0.00000 -0.25852 0.00000 41 5S 0.00000 3.28582 6.14378 0.00000 10.20935 42 5PX 0.00000 -0.01992 1.00844 0.00000 0.81226 43 5PY 0.00000 -1.19523 -3.17805 0.00000 -2.55947 44 5PZ 0.57042 0.00000 0.00000 2.36188 0.00000 45 6D 0 0.00000 -0.00129 0.00949 0.00000 0.00403 46 6D+1 -0.00282 0.00000 0.00000 0.00190 0.00000 47 6D-1 0.00347 0.00000 0.00000 0.00026 0.00000 48 6D+2 0.00000 -0.00016 -0.00182 0.00000 0.00230 49 6D-2 0.00000 0.00697 0.00133 0.00000 -0.00266 50 7D 0 0.00000 0.02461 0.01504 0.00000 0.00312 51 7D+1 0.02114 0.00000 0.00000 0.00358 0.00000 52 7D-1 -0.03382 0.00000 0.00000 -0.00579 0.00000 53 7D+2 0.00000 0.01922 0.00401 0.00000 0.01743 54 7D-2 0.00000 -0.00548 0.00899 0.00000 -0.00729 55 3 Cl 1S 0.00000 -0.00085 -0.00027 0.00000 0.00148 56 2S 0.00000 -0.00236 -0.00085 0.00000 0.00426 57 3S 0.00000 0.00408 0.00232 0.00000 -0.00879 58 4S 0.00000 0.01332 0.00100 0.00000 -0.01774 59 5S 0.00000 -0.04463 0.01008 0.00000 0.03704 60 6S 0.00000 0.06505 -0.09996 0.00000 0.01943 61 7S 0.00000 -2.41872 -4.16486 0.00000 -3.84589 62 7PX 0.00000 -0.63322 -0.52961 0.00000 -0.80981 63 7PY 0.00000 -0.85797 -0.78666 0.00000 0.16245 64 7PZ 0.08979 0.00000 0.00000 -0.07710 0.00000 65 8PX 0.00000 -0.01735 0.01039 0.00000 -0.03096 66 8PY 0.00000 -0.05341 -0.00052 0.00000 0.04310 67 8PZ 0.02267 0.00000 0.00000 0.01875 0.00000 68 9PX 0.00000 0.00698 -0.00359 0.00000 0.01092 69 9PY 0.00000 0.02022 0.00026 0.00000 -0.01479 70 9PZ -0.00782 0.00000 0.00000 -0.00634 0.00000 71 10PX 0.00000 0.01790 -0.01566 0.00000 0.04600 72 10PY 0.00000 0.06564 0.00060 0.00000 -0.06698 73 10PZ -0.03432 0.00000 0.00000 -0.02976 0.00000 74 11PX 0.00000 0.06337 -0.01759 0.00000 0.05467 75 11PY 0.00000 0.15010 -0.00037 0.00000 -0.06126 76 11PZ -0.03581 0.00000 0.00000 -0.02476 0.00000 77 12PX 0.00000 0.07286 -0.24867 0.00000 0.17005 78 12PY 0.00000 0.34115 -0.14848 0.00000 -0.55570 79 12PZ -0.15992 0.00000 0.00000 -0.16473 0.00000 80 13D 0 0.00000 0.01487 0.01383 0.00000 0.00956 81 13D+1 -0.00273 0.00000 0.00000 -0.00926 0.00000 82 13D-1 -0.00694 0.00000 0.00000 -0.00156 0.00000 83 13D+2 0.00000 0.01144 0.00121 0.00000 0.00575 84 13D-2 0.00000 -0.02214 0.00421 0.00000 -0.00073 85 14D 0 0.00000 0.02835 0.05132 0.00000 0.03451 86 14D+1 -0.01106 0.00000 0.00000 -0.03147 0.00000 87 14D-1 -0.01342 0.00000 0.00000 0.00060 0.00000 88 14D+2 0.00000 0.01467 -0.00325 0.00000 0.02636 89 14D-2 0.00000 -0.04289 0.00211 0.00000 -0.00957 90 4 H 1S 0.00001 0.00019 0.01933 -0.00937 0.01005 91 2S 0.14853 -0.02792 0.07665 0.08981 0.07102 92 3S -0.02289 -0.09774 -0.06242 -0.23027 -0.20770 93 4PX 0.00216 0.00075 0.00842 -0.00576 -0.00311 94 4PY 0.00111 0.00181 -0.00708 0.00272 -0.00421 95 4PZ -0.00040 0.00114 0.00722 0.00560 0.00528 96 5 H 1S -0.00001 0.00019 0.01933 0.00937 0.01005 97 2S -0.14853 -0.02792 0.07665 -0.08981 0.07102 98 3S 0.02289 -0.09774 -0.06242 0.23027 -0.20770 99 4PX -0.00216 0.00075 0.00842 0.00576 -0.00311 100 4PY -0.00111 0.00181 -0.00708 -0.00272 -0.00421 101 4PZ -0.00040 -0.00114 -0.00722 0.00560 -0.00528 102 6 H 1S 0.00000 0.00705 -0.01059 0.00000 -0.01298 103 2S 0.00000 -0.15031 0.00149 0.00000 -0.08044 104 3S 0.00000 0.10147 -0.60782 0.00000 -0.26257 105 4PX 0.00000 -0.00150 -0.00160 0.00000 0.00961 106 4PY 0.00000 -0.00048 0.00010 0.00000 -0.00663 107 4PZ 0.00072 0.00000 0.00000 -0.00425 0.00000 108 7 H 1S -0.01367 -0.00594 0.01909 0.02554 -0.00702 109 2S 0.10758 0.10186 0.05829 -0.03808 -0.02062 110 3S -0.30469 -0.26151 0.06162 0.34462 0.05385 111 4PX -0.00053 -0.00117 -0.00875 -0.00447 0.00362 112 4PY 0.00098 -0.00042 0.00431 0.00190 0.00521 113 4PZ -0.00056 0.00267 0.00714 -0.00582 0.00151 114 8 H 1S 0.01367 -0.00594 0.01909 -0.02554 -0.00702 115 2S -0.10758 0.10186 0.05829 0.03808 -0.02062 116 3S 0.30469 -0.26151 0.06162 -0.34462 0.05385 117 4PX 0.00053 -0.00117 -0.00875 0.00447 0.00362 118 4PY -0.00098 -0.00042 0.00431 -0.00190 0.00521 119 4PZ -0.00056 -0.00267 -0.00714 -0.00582 -0.00151 26 27 28 29 30 V V V V V Eigenvalues -- 0.09526 0.09716 0.11309 0.12155 0.15118 1 1 C 1S 0.00000 -0.00015 -0.00346 -0.02408 -0.00491 2 2S 0.00000 -0.00055 -0.00619 -0.03944 -0.00743 3 2PX 0.00000 -0.00390 0.05793 -0.00469 -0.00594 4 2PY 0.00000 0.04821 0.03248 -0.02072 0.08346 5 2PZ -0.03308 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.00819 0.02601 0.11220 0.00353 7 3PX 0.00000 -0.00870 0.07917 0.00263 -0.01586 8 3PY 0.00000 0.06480 0.04327 -0.03702 0.10247 9 3PZ -0.02963 0.00000 0.00000 0.00000 0.00000 10 4S 0.00000 -0.09079 -0.04731 0.41942 0.43999 11 4PX 0.00000 0.09023 0.38688 0.09074 0.01127 12 4PY 0.00000 0.32690 0.24949 -0.07097 0.83060 13 4PZ -0.34988 0.00000 0.00000 0.00000 0.00000 14 5S 0.00000 -2.48159 -22.14616 -13.27613 17.96320 15 5PX 0.00000 0.51119 6.05475 4.65888 -4.81168 16 5PY 0.00000 -0.89248 -1.52418 1.52773 1.95304 17 5PZ 0.18064 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.00011 0.00130 -0.00072 0.01096 19 6D+1 -0.00081 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00464 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00046 0.00596 0.00329 0.00693 22 6D-2 0.00000 0.00792 -0.00337 -0.00235 -0.01070 23 7D 0 0.00000 0.00109 0.00761 0.01199 0.00621 24 7D+1 -0.00127 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.01516 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 -0.01934 -0.00165 0.00643 -0.00100 27 7D-2 0.00000 0.00959 -0.01256 -0.00257 -0.00706 28 2 C 1S 0.00000 -0.00504 0.00109 0.01567 -0.01465 29 2S 0.00000 -0.00730 0.00205 0.02548 -0.02319 30 2PX 0.00000 -0.03333 0.02766 0.03482 -0.01732 31 2PY 0.00000 -0.12341 -0.03141 0.03958 0.02841 32 2PZ 0.04496 0.00000 0.00000 0.00000 0.00000 33 3S 0.00000 0.00219 -0.00550 -0.06839 0.04290 34 3PX 0.00000 -0.03404 0.06036 0.04791 -0.01691 35 3PY 0.00000 -0.17265 -0.05168 0.04897 0.06603 36 3PZ 0.06510 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.27600 0.15039 -0.30634 0.73460 38 4PX 0.00000 -0.15638 0.17612 0.24263 -0.32936 39 4PY 0.00000 -0.71189 -0.18918 0.22634 -0.03649 40 4PZ 0.32185 0.00000 0.00000 0.00000 0.00000 41 5S 0.00000 3.92305 26.13987 16.89482 -11.79988 42 5PX 0.00000 0.35955 7.16019 1.15876 -7.02322 43 5PY 0.00000 0.18519 -0.78256 -2.84531 -1.61772 44 5PZ -1.62985 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00575 0.00153 -0.00204 -0.00592 46 6D+1 -0.00216 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00141 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00647 -0.00660 0.00381 0.00554 49 6D-2 0.00000 -0.00197 0.00574 0.00098 0.01041 50 7D 0 0.00000 -0.01140 -0.00292 -0.00741 -0.00017 51 7D+1 -0.00931 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00770 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00469 -0.02687 0.02614 0.00014 54 7D-2 0.00000 -0.00234 0.01411 -0.00711 0.00124 55 3 Cl 1S 0.00000 -0.00141 0.00289 0.00103 0.00566 56 2S 0.00000 -0.00424 0.00846 0.00300 0.01671 57 3S 0.00000 0.01033 -0.01884 -0.00665 -0.03839 58 4S 0.00000 0.01053 -0.02935 -0.01045 -0.05319 59 5S 0.00000 0.01375 0.03922 0.00945 0.04880 60 6S 0.00000 -0.23737 0.22272 0.06291 0.64088 61 7S 0.00000 -1.59495 -3.82802 -3.81038 -5.55047 62 7PX 0.00000 0.97621 -1.82052 1.22716 -0.17268 63 7PY 0.00000 0.27304 -1.43195 -2.13777 -2.17807 64 7PZ 2.06189 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00000 0.06581 -0.01749 0.01005 -0.01601 66 8PY 0.00000 0.06413 -0.01858 -0.04316 -0.00815 67 8PZ 0.06404 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 -0.02379 0.00596 -0.00248 0.00625 69 9PY 0.00000 -0.02426 0.00692 0.01576 0.00297 70 9PZ -0.02219 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00000 -0.09237 0.02796 -0.02419 0.01950 72 10PY 0.00000 -0.08040 0.02491 0.05968 0.01124 73 10PZ -0.09867 0.00000 0.00000 0.00000 0.00000 74 11PX 0.00000 -0.14052 0.02220 0.02625 0.05162 75 11PY 0.00000 -0.18195 0.04686 0.09807 0.02016 76 11PZ -0.09591 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00000 -0.77216 0.12649 -0.23629 -0.03528 78 12PY 0.00000 -0.73398 0.00337 0.50207 -0.06294 79 12PZ -0.69167 0.00000 0.00000 0.00000 0.00000 80 13D 0 0.00000 -0.01432 0.00133 0.02028 -0.01693 81 13D+1 -0.00017 0.00000 0.00000 0.00000 0.00000 82 13D-1 -0.00552 0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00000 -0.02114 -0.00399 -0.00815 -0.02834 84 13D-2 0.00000 0.02097 0.02891 -0.02217 0.00099 85 14D 0 0.00000 -0.00769 0.01255 0.04321 -0.03901 86 14D+1 -0.00450 0.00000 0.00000 0.00000 0.00000 87 14D-1 -0.03429 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00000 -0.04270 -0.01241 -0.04422 -0.06525 89 14D-2 0.00000 0.00925 0.07509 -0.04427 -0.01472 90 4 H 1S 0.01463 -0.00132 -0.00427 0.00016 -0.02722 91 2S -0.06767 0.07263 0.09652 0.05842 -0.10644 92 3S 0.07963 -0.17726 -0.65036 -0.30552 -0.36209 93 4PX -0.00282 -0.00419 0.00971 -0.00395 0.00114 94 4PY -0.00409 -0.00568 0.00549 0.00018 0.00495 95 4PZ -0.00334 0.00790 0.00452 0.00142 -0.00253 96 5 H 1S -0.01463 -0.00132 -0.00427 0.00016 -0.02722 97 2S 0.06767 0.07263 0.09652 0.05842 -0.10644 98 3S -0.07963 -0.17726 -0.65036 -0.30552 -0.36209 99 4PX 0.00282 -0.00419 0.00971 -0.00395 0.00114 100 4PY 0.00409 -0.00568 0.00549 0.00018 0.00495 101 4PZ -0.00334 -0.00790 -0.00452 -0.00142 0.00253 102 6 H 1S 0.00000 0.03195 -0.02196 -0.02069 -0.06906 103 2S 0.00000 -0.02599 -0.16853 -0.05116 -0.17823 104 3S 0.00000 0.08266 -0.06873 -0.00428 -2.31254 105 4PX 0.00000 -0.00023 -0.00245 0.00597 0.00078 106 4PY 0.00000 -0.00577 -0.00860 -0.00543 -0.00285 107 4PZ -0.00688 0.00000 0.00000 0.00000 0.00000 108 7 H 1S 0.01117 -0.01200 0.00660 -0.00275 0.02827 109 2S 0.05006 0.02084 -0.03059 -0.09153 0.11202 110 3S 0.44761 -0.09930 0.36656 0.38381 0.23769 111 4PX -0.00113 -0.00240 0.00778 -0.00137 0.00450 112 4PY -0.00549 -0.00236 0.00513 0.00400 0.01167 113 4PZ 0.00264 0.00499 -0.00017 -0.00606 0.01097 114 8 H 1S -0.01117 -0.01200 0.00660 -0.00275 0.02827 115 2S -0.05006 0.02084 -0.03059 -0.09153 0.11202 116 3S -0.44761 -0.09930 0.36656 0.38381 0.23769 117 4PX 0.00113 -0.00240 0.00778 -0.00137 0.00450 118 4PY 0.00549 -0.00236 0.00513 0.00400 0.01167 119 4PZ 0.00264 -0.00499 0.00017 0.00606 -0.01097 31 32 33 34 35 V V V V V Eigenvalues -- 0.15357 0.17540 0.20021 0.22444 0.22852 1 1 C 1S 0.00000 0.00000 -0.02276 -0.04488 -0.02047 2 2S 0.00000 0.00000 -0.03680 -0.07143 -0.03241 3 2PX 0.00000 0.00000 0.01453 -0.11252 0.11824 4 2PY 0.00000 0.00000 0.09075 -0.03913 -0.07997 5 2PZ -0.13761 -0.05584 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.09154 0.10782 0.08878 7 3PX 0.00000 0.00000 -0.00488 -0.23846 0.15907 8 3PY 0.00000 0.00000 0.08985 -0.03066 -0.09765 9 3PZ -0.15537 -0.04191 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 1.02232 3.02749 0.71888 11 4PX 0.00000 0.00000 0.02513 -1.88186 1.52198 12 4PY 0.00000 0.00000 0.80424 -0.31344 -0.85886 13 4PZ -1.34720 -0.84997 0.00000 0.00000 0.00000 14 5S 0.00000 0.00000 -8.67608 -6.80964 9.26704 15 5PX 0.00000 0.00000 2.80114 2.41792 -2.50912 16 5PY 0.00000 0.00000 0.22176 -0.97706 -0.45327 17 5PZ -1.19798 -1.45616 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.00000 0.00560 0.00928 -0.01570 19 6D+1 0.01224 -0.01235 0.00000 0.00000 0.00000 20 6D-1 -0.01835 -0.00501 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 0.00190 -0.02399 0.01095 22 6D-2 0.00000 0.00000 -0.00373 0.00428 -0.00064 23 7D 0 0.00000 0.00000 0.01098 -0.06491 0.02602 24 7D+1 0.01636 -0.00900 0.00000 0.00000 0.00000 25 7D-1 -0.00283 -0.01404 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.01467 0.08125 -0.04646 27 7D-2 0.00000 0.00000 -0.02403 0.00414 0.00517 28 2 C 1S 0.00000 0.00000 -0.01658 0.03152 -0.03416 29 2S 0.00000 0.00000 -0.02660 0.05109 -0.05506 30 2PX 0.00000 0.00000 -0.06487 -0.14483 0.02045 31 2PY 0.00000 0.00000 0.00954 0.02531 0.05186 32 2PZ -0.04833 0.13562 0.00000 0.00000 0.00000 33 3S 0.00000 0.00000 0.07349 -0.08240 0.12115 34 3PX 0.00000 0.00000 -0.09533 -0.26053 0.08518 35 3PY 0.00000 0.00000 -0.00523 0.04010 0.03993 36 3PZ -0.08428 0.12488 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.40774 -2.13415 2.03691 38 4PX 0.00000 0.00000 -0.50340 -2.21474 0.57867 39 4PY 0.00000 0.00000 0.13686 0.46999 0.36773 40 4PZ -0.15772 1.58175 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 1.98982 14.06382 1.44996 42 5PX 0.00000 0.00000 4.46408 2.78566 -2.22693 43 5PY 0.00000 0.00000 3.18015 -2.11258 -2.00744 44 5PZ 0.30013 3.16702 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.00370 -0.01697 0.00125 46 6D+1 -0.01767 0.00513 0.00000 0.00000 0.00000 47 6D-1 0.00504 -0.01970 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 0.01044 0.01924 -0.00884 49 6D-2 0.00000 0.00000 0.00482 -0.00685 -0.00171 50 7D 0 0.00000 0.00000 -0.00463 0.05116 -0.04430 51 7D+1 -0.00889 0.03219 0.00000 0.00000 0.00000 52 7D-1 -0.01773 -0.04699 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00095 -0.07419 0.02021 54 7D-2 0.00000 0.00000 0.01880 0.02099 0.01608 55 3 Cl 1S 0.00000 0.00000 -0.00769 0.00243 0.00228 56 2S 0.00000 0.00000 -0.02286 0.00724 0.00663 57 3S 0.00000 0.00000 0.05368 -0.01721 -0.01424 58 4S 0.00000 0.00000 0.06826 -0.02089 -0.02578 59 5S 0.00000 0.00000 -0.03115 0.00652 0.04588 60 6S 0.00000 0.00000 -1.14316 0.38403 0.19899 61 7S 0.00000 0.00000 9.20782 -5.85949 -6.38491 62 7PX 0.00000 0.00000 1.32053 -1.83723 -0.92228 63 7PY 0.00000 0.00000 3.07325 -1.29448 -1.21185 64 7PZ -0.52530 -0.93479 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 -0.01334 -0.01412 0.01186 66 8PY 0.00000 0.00000 0.01651 0.01468 0.00109 67 8PZ -0.01041 0.01878 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.00438 0.00565 -0.00411 69 9PY 0.00000 0.00000 -0.00688 -0.00529 -0.00047 70 9PZ 0.00320 -0.00756 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 0.02403 0.01653 -0.01904 72 10PY 0.00000 0.00000 -0.01562 -0.02161 -0.00091 73 10PZ 0.01971 -0.02117 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 0.00439 0.05302 -0.01654 75 11PY 0.00000 0.00000 -0.08170 -0.02995 -0.00306 76 11PZ -0.00125 -0.06852 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 0.12737 0.25756 -0.31503 78 12PY 0.00000 0.00000 -0.12179 -0.26454 -0.09542 79 12PZ 0.20183 -0.16934 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.01244 -0.01611 0.00036 81 13D+1 0.00121 0.03721 0.00000 0.00000 0.00000 82 13D-1 0.00781 0.03752 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 -0.01542 -0.02624 0.01349 84 13D-2 0.00000 0.00000 -0.01791 -0.02351 0.01193 85 14D 0 0.00000 0.00000 0.03879 -0.05893 0.01330 86 14D+1 0.00631 0.10530 0.00000 0.00000 0.00000 87 14D-1 0.02689 0.07431 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 -0.04427 -0.03767 0.03608 89 14D-2 0.00000 0.00000 -0.04391 -0.05201 0.02088 90 4 H 1S 0.04629 -0.06642 -0.03566 -0.01435 -0.01362 91 2S 0.10383 -0.22017 -0.02384 -0.09218 0.06030 92 3S 0.65686 -2.63908 -1.21641 -0.77852 -1.82378 93 4PX -0.01427 -0.00068 -0.00279 -0.01796 0.00995 94 4PY 0.00019 -0.01461 -0.00983 0.00610 -0.00473 95 4PZ -0.00505 -0.00556 -0.00854 -0.00252 -0.01111 96 5 H 1S -0.04629 0.06642 -0.03566 -0.01435 -0.01362 97 2S -0.10383 0.22017 -0.02384 -0.09218 0.06030 98 3S -0.65686 2.63908 -1.21641 -0.77852 -1.82378 99 4PX 0.01427 0.00068 -0.00279 -0.01796 0.00995 100 4PY -0.00019 0.01461 -0.00983 0.00610 -0.00473 101 4PZ -0.00505 -0.00556 0.00854 0.00252 0.01111 102 6 H 1S 0.00000 0.00000 -0.04084 0.02188 -0.00996 103 2S 0.00000 0.00000 -0.05859 0.12224 0.08079 104 3S 0.00000 0.00000 -2.13084 0.18801 -0.81545 105 4PX 0.00000 0.00000 -0.01140 -0.01973 0.00667 106 4PY 0.00000 0.00000 -0.01864 0.00741 -0.00419 107 4PZ -0.01844 -0.00882 0.00000 0.00000 0.00000 108 7 H 1S 0.07211 -0.01104 0.00570 -0.00513 -0.05160 109 2S 0.25202 0.05361 0.02760 0.05704 -0.09321 110 3S 2.18301 0.80987 0.46423 -1.27521 -3.02497 111 4PX 0.00302 -0.01629 -0.00312 -0.01739 0.00795 112 4PY -0.01061 -0.00642 0.00189 0.00243 -0.00220 113 4PZ 0.00136 0.00753 0.00233 -0.00593 -0.01517 114 8 H 1S -0.07211 0.01104 0.00570 -0.00513 -0.05160 115 2S -0.25202 -0.05361 0.02760 0.05704 -0.09321 116 3S -2.18301 -0.80987 0.46423 -1.27521 -3.02497 117 4PX -0.00302 0.01629 -0.00312 -0.01739 0.00795 118 4PY 0.01061 0.00642 0.00189 0.00243 -0.00220 119 4PZ 0.00136 0.00753 -0.00233 0.00593 0.01517 36 37 38 39 40 V V V V V Eigenvalues -- 0.23490 0.36838 0.37217 0.39692 0.40160 1 1 C 1S 0.03522 0.00000 0.00479 0.00000 -0.00264 2 2S 0.05527 0.00000 0.01102 0.00000 -0.00507 3 2PX -0.04654 0.00000 0.03555 0.00000 -0.04321 4 2PY -0.03130 0.00000 0.07794 0.00000 -0.01583 5 2PZ 0.00000 -0.03308 0.00000 0.06996 0.00000 6 3S -0.08279 0.00000 -0.13213 0.00000 0.06655 7 3PX -0.04031 0.00000 0.09770 0.00000 -0.04694 8 3PY -0.03444 0.00000 0.09429 0.00000 -0.09274 9 3PZ 0.00000 0.05506 0.00000 0.11683 0.00000 10 4S -2.10246 0.00000 0.84190 0.00000 -0.81901 11 4PX -0.29490 0.00000 -0.92868 0.00000 0.27672 12 4PY -0.38068 0.00000 -0.79518 0.00000 0.71687 13 4PZ 0.00000 0.65157 0.00000 -1.11765 0.00000 14 5S -28.53845 0.00000 -2.57220 0.00000 -0.08201 15 5PX 7.17405 0.00000 1.14840 0.00000 -0.07242 16 5PY -0.53538 0.00000 1.59270 0.00000 -0.82986 17 5PZ 0.00000 -0.20785 0.00000 1.69736 0.00000 18 6D 0 -0.00084 0.00000 -0.00590 0.00000 0.00199 19 6D+1 0.00000 -0.01295 0.00000 0.00154 0.00000 20 6D-1 0.00000 0.01749 0.00000 -0.01177 0.00000 21 6D+2 -0.00664 0.00000 -0.01646 0.00000 0.00041 22 6D-2 -0.00300 0.00000 0.00890 0.00000 0.01328 23 7D 0 0.00472 0.00000 0.02571 0.00000 0.10410 24 7D+1 0.00000 0.08593 0.00000 -0.04987 0.00000 25 7D-1 0.00000 -0.17514 0.00000 0.04992 0.00000 26 7D+2 -0.02286 0.00000 0.08096 0.00000 -0.02160 27 7D-2 0.01701 0.00000 0.00668 0.00000 -0.03274 28 2 C 1S -0.03267 0.00000 0.00420 0.00000 -0.00108 29 2S -0.05178 0.00000 0.00783 0.00000 0.00028 30 2PX -0.05016 0.00000 -0.02104 0.00000 -0.03801 31 2PY 0.07268 0.00000 0.01445 0.00000 0.00614 32 2PZ 0.00000 -0.09663 0.00000 -0.04765 0.00000 33 3S 0.09703 0.00000 0.01640 0.00000 0.01471 34 3PX -0.04283 0.00000 -0.07707 0.00000 -0.00673 35 3PY 0.05859 0.00000 0.00154 0.00000 0.12794 36 3PZ 0.00000 -0.05219 0.00000 -0.09494 0.00000 37 4S 1.86839 0.00000 -1.07072 0.00000 -0.39575 38 4PX -0.29100 0.00000 -0.29312 0.00000 0.69954 39 4PY 0.82900 0.00000 0.54762 0.00000 -0.82547 40 4PZ 0.00000 0.52285 0.00000 0.86998 0.00000 41 5S 36.55028 0.00000 4.33989 0.00000 -0.56707 42 5PX 5.66557 0.00000 -0.21594 0.00000 0.09640 43 5PY -3.47964 0.00000 -0.98447 0.00000 1.71574 44 5PZ 0.00000 -1.69808 0.00000 -1.59571 0.00000 45 6D 0 -0.00916 0.00000 0.00699 0.00000 0.01711 46 6D+1 0.00000 0.01374 0.00000 -0.00954 0.00000 47 6D-1 0.00000 -0.01851 0.00000 -0.00664 0.00000 48 6D+2 -0.00342 0.00000 -0.00965 0.00000 0.01019 49 6D-2 0.00272 0.00000 -0.01969 0.00000 -0.00388 50 7D 0 -0.02261 0.00000 -0.01268 0.00000 0.07653 51 7D+1 0.00000 -0.11491 0.00000 -0.16412 0.00000 52 7D-1 0.00000 0.12439 0.00000 -0.13540 0.00000 53 7D+2 0.02163 0.00000 -0.09984 0.00000 0.17893 54 7D-2 0.01078 0.00000 -0.01303 0.00000 -0.08109 55 3 Cl 1S 0.00005 0.00000 0.00036 0.00000 0.00439 56 2S 0.00015 0.00000 0.00150 0.00000 0.01299 57 3S -0.00029 0.00000 -0.00700 0.00000 -0.02995 58 4S -0.00060 0.00000 0.01083 0.00000 -0.04298 59 5S -0.00192 0.00000 -0.09006 0.00000 0.05063 60 6S 0.07198 0.00000 0.49833 0.00000 0.21846 61 7S -8.09440 0.00000 -1.55145 0.00000 1.23136 62 7PX -0.90466 0.00000 0.03375 0.00000 -0.36105 63 7PY -1.94916 0.00000 -1.09062 0.00000 -0.85823 64 7PZ 0.00000 0.63618 0.00000 0.65145 0.00000 65 8PX 0.01254 0.00000 0.04840 0.00000 0.01747 66 8PY 0.00667 0.00000 0.00870 0.00000 0.07217 67 8PZ 0.00000 0.02945 0.00000 -0.00092 0.00000 68 9PX -0.00466 0.00000 -0.01852 0.00000 -0.01021 69 9PY -0.00173 0.00000 -0.00394 0.00000 -0.03390 70 9PZ 0.00000 -0.01165 0.00000 0.00094 0.00000 71 10PX -0.01808 0.00000 -0.06625 0.00000 0.00696 72 10PY -0.01615 0.00000 -0.00562 0.00000 -0.04367 73 10PZ 0.00000 -0.03789 0.00000 -0.00423 0.00000 74 11PX -0.02770 0.00000 -0.15819 0.00000 -0.24223 75 11PY 0.02501 0.00000 -0.06824 0.00000 -0.58455 76 11PZ 0.00000 -0.10176 0.00000 0.04848 0.00000 77 12PX -0.03007 0.00000 0.29524 0.00000 0.67748 78 12PY -0.25830 0.00000 0.63391 0.00000 1.76699 79 12PZ 0.00000 -0.20002 0.00000 -0.51777 0.00000 80 13D 0 0.00282 0.00000 -0.02252 0.00000 0.07586 81 13D+1 0.00000 0.05325 0.00000 -0.00272 0.00000 82 13D-1 0.00000 0.06655 0.00000 0.13309 0.00000 83 13D+2 -0.00978 0.00000 0.10134 0.00000 0.01478 84 13D-2 0.00834 0.00000 0.02482 0.00000 -0.04681 85 14D 0 0.01896 0.00000 -0.11129 0.00000 0.23494 86 14D+1 0.00000 0.20590 0.00000 -0.06919 0.00000 87 14D-1 0.00000 0.18316 0.00000 0.42280 0.00000 88 14D+2 -0.01587 0.00000 0.35647 0.00000 -0.06634 89 14D-2 0.03558 0.00000 0.12610 0.00000 -0.10037 90 4 H 1S -0.05743 -0.05503 0.03339 -0.00386 0.02712 91 2S -0.07268 -0.93986 0.29084 -0.41092 0.60026 92 3S -3.26849 1.78132 -0.57328 0.62805 -0.44412 93 4PX -0.00024 -0.01511 -0.00668 -0.03626 0.00799 94 4PY -0.00103 0.02092 -0.00752 0.00105 -0.03031 95 4PZ -0.01542 0.06688 -0.00883 0.00859 -0.00825 96 5 H 1S -0.05743 0.05503 0.03339 0.00386 0.02712 97 2S -0.07268 0.93986 0.29084 0.41092 0.60026 98 3S -3.26849 -1.78132 -0.57328 -0.62805 -0.44412 99 4PX -0.00024 0.01511 -0.00668 0.03626 0.00799 100 4PY -0.00103 -0.02092 -0.00752 -0.00105 -0.03031 101 4PZ 0.01542 0.06688 0.00883 0.00859 0.00825 102 6 H 1S 0.04017 0.00000 0.05978 0.00000 0.02464 103 2S 0.06876 0.00000 1.05573 0.00000 -0.09646 104 3S 2.59530 0.00000 -1.68046 0.00000 0.20429 105 4PX -0.00491 0.00000 -0.02343 0.00000 0.02951 106 4PY 0.01664 0.00000 -0.04961 0.00000 -0.00874 107 4PZ 0.00000 0.03015 0.00000 -0.00771 0.00000 108 7 H 1S 0.03571 -0.05741 -0.01535 0.02711 -0.00351 109 2S 0.04274 -0.87295 -0.47497 0.87182 0.19040 110 3S 1.60169 0.93164 1.05322 -1.29814 0.15260 111 4PX -0.00205 0.00486 0.00917 -0.02419 -0.02134 112 4PY -0.00547 -0.01876 -0.02411 0.02225 -0.00452 113 4PZ 0.00269 0.05773 0.02079 -0.04058 -0.00014 114 8 H 1S 0.03571 0.05741 -0.01535 -0.02711 -0.00351 115 2S 0.04274 0.87295 -0.47497 -0.87182 0.19040 116 3S 1.60169 -0.93164 1.05322 1.29814 0.15260 117 4PX -0.00205 -0.00486 0.00917 0.02419 -0.02134 118 4PY -0.00547 0.01876 -0.02411 -0.02225 -0.00452 119 4PZ -0.00269 0.05773 -0.02079 -0.04058 0.00014 41 42 43 44 45 V V V V V Eigenvalues -- 0.41846 0.46032 0.46356 0.46436 0.47425 1 1 C 1S -0.00456 0.01119 0.00000 -0.00684 0.00000 2 2S -0.01273 0.02087 0.00000 -0.01312 0.00000 3 2PX -0.05691 0.08068 0.00000 -0.05344 0.00000 4 2PY 0.01075 0.02326 0.00000 -0.02366 0.00000 5 2PZ 0.00000 0.00000 0.03528 0.00000 -0.04823 6 3S 0.11068 -0.13227 0.00000 0.02682 0.00000 7 3PX -0.28851 0.10752 0.00000 -0.13657 0.00000 8 3PY -0.01538 0.14823 0.00000 -0.02628 0.00000 9 3PZ 0.00000 0.00000 0.05786 0.00000 -0.10453 10 4S 0.21101 0.68162 0.00000 0.56796 0.00000 11 4PX 1.28389 -0.60438 0.00000 -0.05646 0.00000 12 4PY -0.65353 0.10594 0.00000 0.23628 0.00000 13 4PZ 0.00000 0.00000 -0.66164 0.00000 0.56788 14 5S -2.42391 -3.09242 0.00000 -4.57451 0.00000 15 5PX -0.26792 0.99623 0.00000 0.76633 0.00000 16 5PY 0.32386 0.31570 0.00000 -0.27844 0.00000 17 5PZ 0.00000 0.00000 0.79782 0.00000 -0.37250 18 6D 0 -0.02236 0.00732 0.00000 -0.00052 0.00000 19 6D+1 0.00000 0.00000 -0.00303 0.00000 0.00076 20 6D-1 0.00000 0.00000 -0.00378 0.00000 0.00136 21 6D+2 0.02043 0.00073 0.00000 0.00617 0.00000 22 6D-2 0.00125 -0.01225 0.00000 0.00337 0.00000 23 7D 0 0.01473 -0.16624 0.00000 0.02865 0.00000 24 7D+1 0.00000 0.00000 -0.13375 0.00000 0.01277 25 7D-1 0.00000 0.00000 -0.12033 0.00000 0.06467 26 7D+2 -0.00958 0.13499 0.00000 0.04426 0.00000 27 7D-2 -0.03888 0.13171 0.00000 -0.02642 0.00000 28 2 C 1S -0.01133 -0.02187 0.00000 0.00177 0.00000 29 2S -0.02381 -0.04376 0.00000 0.00505 0.00000 30 2PX 0.05907 0.02112 0.00000 0.01808 0.00000 31 2PY -0.01629 -0.12729 0.00000 0.09011 0.00000 32 2PZ 0.00000 0.00000 -0.01360 0.00000 0.05742 33 3S 0.15802 0.29926 0.00000 -0.04433 0.00000 34 3PX 0.34864 -0.07905 0.00000 0.16642 0.00000 35 3PY -0.03962 -0.35317 0.00000 0.28610 0.00000 36 3PZ 0.00000 0.00000 -0.10551 0.00000 0.21214 37 4S 0.51299 -1.52077 0.00000 0.29523 0.00000 38 4PX -0.69350 -0.15384 0.00000 -0.94434 0.00000 39 4PY 0.42240 2.09615 0.00000 -1.39233 0.00000 40 4PZ 0.00000 0.00000 0.05762 0.00000 -0.39023 41 5S 3.86040 3.66560 0.00000 6.10160 0.00000 42 5PX 1.62654 0.55001 0.00000 1.08086 0.00000 43 5PY -0.82183 -0.97071 0.00000 -0.24295 0.00000 44 5PZ 0.00000 0.00000 -0.31462 0.00000 0.55916 45 6D 0 -0.01113 -0.01641 0.00000 0.00422 0.00000 46 6D+1 0.00000 0.00000 -0.00412 0.00000 0.00653 47 6D-1 0.00000 0.00000 -0.00518 0.00000 -0.00732 48 6D+2 0.02066 -0.01254 0.00000 0.01955 0.00000 49 6D-2 -0.01053 0.01383 0.00000 -0.00939 0.00000 50 7D 0 -0.05554 0.19018 0.00000 -0.18934 0.00000 51 7D+1 0.00000 0.00000 0.18906 0.00000 -0.16345 52 7D-1 0.00000 0.00000 -0.04584 0.00000 0.08807 53 7D+2 0.12061 -0.06554 0.00000 -0.12474 0.00000 54 7D-2 -0.00033 -0.22899 0.00000 -0.05769 0.00000 55 3 Cl 1S -0.00021 0.00080 0.00000 -0.00154 0.00000 56 2S -0.00031 0.00272 0.00000 -0.00462 0.00000 57 3S -0.00177 -0.00939 0.00000 0.01119 0.00000 58 4S 0.01207 0.00580 0.00000 0.01247 0.00000 59 5S -0.05754 -0.14614 0.00000 0.04740 0.00000 60 6S 0.14282 1.03841 0.00000 -0.72933 0.00000 61 7S -1.62534 -0.34156 0.00000 -1.90798 0.00000 62 7PX -1.14613 0.20735 0.00000 0.89415 0.00000 63 7PY -0.51444 -1.13598 0.00000 -0.62550 0.00000 64 7PZ 0.00000 0.00000 -1.20276 0.00000 -0.85860 65 8PX 0.02939 -0.00071 0.00000 -0.11316 0.00000 66 8PY 0.02398 0.11608 0.00000 0.00056 0.00000 67 8PZ 0.00000 0.00000 0.11341 0.00000 0.07273 68 9PX -0.01332 0.00518 0.00000 0.05093 0.00000 69 9PY -0.01051 -0.04716 0.00000 -0.00473 0.00000 70 9PZ 0.00000 0.00000 -0.05349 0.00000 -0.03351 71 10PX -0.02154 -0.04440 0.00000 0.09669 0.00000 72 10PY -0.01994 -0.14681 0.00000 0.04301 0.00000 73 10PZ 0.00000 0.00000 -0.07323 0.00000 -0.05404 74 11PX -0.22389 0.26214 0.00000 0.73307 0.00000 75 11PY -0.16399 -0.47507 0.00000 -0.27116 0.00000 76 11PZ 0.00000 0.00000 -0.87387 0.00000 -0.52684 77 12PX 0.73798 0.23041 0.00000 -2.13462 0.00000 78 12PY 0.20145 2.30769 0.00000 -0.40323 0.00000 79 12PZ 0.00000 0.00000 1.86909 0.00000 1.20341 80 13D 0 -0.00990 -0.02555 0.00000 -0.02865 0.00000 81 13D+1 0.00000 0.00000 0.04347 0.00000 -0.16004 82 13D-1 0.00000 0.00000 -0.06742 0.00000 0.05989 83 13D+2 -0.03995 0.03392 0.00000 0.07269 0.00000 84 13D-2 -0.08172 0.00390 0.00000 -0.00052 0.00000 85 14D 0 -0.06982 -0.23198 0.00000 -0.04419 0.00000 86 14D+1 0.00000 0.00000 0.19939 0.00000 -0.63482 87 14D-1 0.00000 0.00000 -0.24787 0.00000 0.28261 88 14D+2 -0.08893 0.02694 0.00000 0.32010 0.00000 89 14D-2 -0.24766 0.19641 0.00000 -0.13079 0.00000 90 4 H 1S -0.01529 -0.04159 -0.00427 0.00338 -0.03519 91 2S -0.28071 -0.60387 -0.03807 0.21471 -0.15084 92 3S -0.10020 -0.06719 0.33910 -0.43627 -0.12186 93 4PX -0.00903 -0.02523 -0.01408 0.00316 0.00284 94 4PY -0.00475 0.01037 -0.01609 -0.01049 -0.02696 95 4PZ -0.00107 0.01814 -0.00678 -0.01491 0.01696 96 5 H 1S -0.01529 -0.04159 0.00427 0.00338 0.03519 97 2S -0.28071 -0.60387 0.03807 0.21471 0.15084 98 3S -0.10020 -0.06719 -0.33910 -0.43627 0.12186 99 4PX -0.00903 -0.02523 0.01408 0.00316 -0.00284 100 4PY -0.00475 0.01037 0.01609 -0.01049 0.02696 101 4PZ 0.00107 -0.01814 -0.00678 0.01491 0.01696 102 6 H 1S 0.00792 -0.04306 0.00000 0.00886 0.00000 103 2S 0.18278 -0.46096 0.00000 -0.18266 0.00000 104 3S -0.52653 0.26207 0.00000 0.49019 0.00000 105 4PX 0.00103 -0.01174 0.00000 0.03357 0.00000 106 4PY -0.02026 0.03429 0.00000 0.00196 0.00000 107 4PZ 0.00000 0.00000 -0.00820 0.00000 0.00583 108 7 H 1S -0.04332 0.02069 0.00270 0.00253 -0.00555 109 2S -0.68539 0.29310 0.39062 -0.21756 -0.20492 110 3S 0.37973 -0.01183 -0.52916 0.25307 0.20399 111 4PX 0.01750 0.00792 -0.03488 0.00901 0.01881 112 4PY -0.02271 0.03017 0.00198 0.00507 -0.00518 113 4PZ 0.00981 -0.01199 -0.01921 0.01467 0.01222 114 8 H 1S -0.04332 0.02069 -0.00270 0.00253 0.00555 115 2S -0.68539 0.29310 -0.39062 -0.21756 0.20492 116 3S 0.37973 -0.01183 0.52916 0.25307 -0.20399 117 4PX 0.01750 0.00792 0.03488 0.00901 -0.01881 118 4PY -0.02271 0.03017 -0.00198 0.00507 0.00518 119 4PZ -0.00981 0.01199 -0.01921 -0.01467 0.01222 46 47 48 49 50 V V V V V Eigenvalues -- 0.49402 0.53162 0.53225 0.53537 0.59333 1 1 C 1S 0.01825 -0.02843 0.00000 -0.01327 0.00000 2 2S 0.03581 -0.04970 0.00000 -0.02362 0.00000 3 2PX 0.09568 -0.19072 0.00000 -0.02220 0.00000 4 2PY -0.00693 0.08066 0.00000 -0.07510 0.00000 5 2PZ 0.00000 0.00000 -0.13051 0.00000 -0.14965 6 3S -0.31935 0.21240 0.00000 0.02368 0.00000 7 3PX 0.23326 -0.11544 0.00000 -0.09108 0.00000 8 3PY -0.00416 0.19209 0.00000 -0.11766 0.00000 9 3PZ 0.00000 0.00000 -0.34025 0.00000 -0.44177 10 4S 1.53328 -2.77561 0.00000 1.38534 0.00000 11 4PX -1.13248 3.22601 0.00000 0.16189 0.00000 12 4PY 0.61206 -0.79807 0.00000 1.74572 0.00000 13 4PZ 0.00000 0.00000 2.20605 0.00000 1.30623 14 5S -9.63479 2.66156 0.00000 -0.64624 0.00000 15 5PX 2.73322 -1.05755 0.00000 -0.06336 0.00000 16 5PY -0.96013 0.18908 0.00000 -0.53808 0.00000 17 5PZ 0.00000 0.00000 -0.07490 0.00000 0.97491 18 6D 0 0.01011 0.00238 0.00000 0.00319 0.00000 19 6D+1 0.00000 0.00000 0.02053 0.00000 0.00753 20 6D-1 0.00000 0.00000 -0.00139 0.00000 -0.00910 21 6D+2 -0.00275 0.00143 0.00000 0.01089 0.00000 22 6D-2 -0.00071 -0.00916 0.00000 0.00575 0.00000 23 7D 0 -0.02091 0.36414 0.00000 -0.06473 0.00000 24 7D+1 0.00000 0.00000 0.41236 0.00000 -0.12185 25 7D-1 0.00000 0.00000 -0.22337 0.00000 -0.21584 26 7D+2 0.18182 -0.49700 0.00000 -0.01549 0.00000 27 7D-2 0.11342 0.06615 0.00000 0.47697 0.00000 28 2 C 1S -0.00925 0.02480 0.00000 0.00889 0.00000 29 2S -0.01513 0.04326 0.00000 0.01315 0.00000 30 2PX 0.06165 -0.24286 0.00000 -0.04214 0.00000 31 2PY -0.00026 -0.00223 0.00000 -0.00771 0.00000 32 2PZ 0.00000 0.00000 -0.03811 0.00000 0.22766 33 3S 0.11589 -0.22117 0.00000 -0.08505 0.00000 34 3PX 0.03370 -0.35250 0.00000 -0.02032 0.00000 35 3PY 0.04764 -0.12128 0.00000 0.03130 0.00000 36 3PZ 0.00000 0.00000 -0.05972 0.00000 0.67450 37 4S -1.43317 2.63638 0.00000 0.40012 0.00000 38 4PX -0.91644 3.65598 0.00000 -1.09299 0.00000 39 4PY -0.38552 0.11510 0.00000 0.25521 0.00000 40 4PZ 0.00000 0.00000 -0.60378 0.00000 -2.28111 41 5S 10.21829 -3.25016 0.00000 -0.29974 0.00000 42 5PX 2.82110 -1.34770 0.00000 0.68192 0.00000 43 5PY 0.02378 -0.05337 0.00000 0.54265 0.00000 44 5PZ 0.00000 0.00000 0.71853 0.00000 -1.95580 45 6D 0 0.00989 -0.00133 0.00000 -0.01262 0.00000 46 6D+1 0.00000 0.00000 -0.01306 0.00000 0.01407 47 6D-1 0.00000 0.00000 0.00025 0.00000 -0.01248 48 6D+2 -0.00456 -0.00803 0.00000 0.00173 0.00000 49 6D-2 -0.00080 0.00727 0.00000 -0.00788 0.00000 50 7D 0 0.10511 -0.34771 0.00000 0.05823 0.00000 51 7D+1 0.00000 0.00000 -0.31637 0.00000 0.08909 52 7D-1 0.00000 0.00000 -0.06178 0.00000 -0.34964 53 7D+2 -0.04927 0.54291 0.00000 -0.11980 0.00000 54 7D-2 0.10975 0.00444 0.00000 -0.36658 0.00000 55 3 Cl 1S -0.00134 0.00178 0.00000 -0.00238 0.00000 56 2S -0.00380 0.00508 0.00000 -0.00665 0.00000 57 3S 0.00740 -0.01010 0.00000 0.01202 0.00000 58 4S 0.01887 -0.02416 0.00000 0.03779 0.00000 59 5S -0.04384 0.03601 0.00000 -0.13378 0.00000 60 6S -0.15454 0.30842 0.00000 0.06715 0.00000 61 7S -0.56246 0.62133 0.00000 0.89013 0.00000 62 7PX -0.57504 0.48773 0.00000 -0.46948 0.00000 63 7PY 0.11871 -0.02354 0.00000 0.63845 0.00000 64 7PZ 0.00000 0.00000 -0.35880 0.00000 0.71749 65 8PX 0.03338 0.00020 0.00000 0.05191 0.00000 66 8PY -0.01756 0.01204 0.00000 -0.02813 0.00000 67 8PZ 0.00000 0.00000 0.04036 0.00000 -0.01064 68 9PX -0.01506 0.00028 0.00000 -0.02261 0.00000 69 9PY 0.00778 -0.00356 0.00000 0.01426 0.00000 70 9PZ 0.00000 0.00000 -0.01809 0.00000 0.00646 71 10PX -0.02760 -0.00468 0.00000 -0.05194 0.00000 72 10PY 0.01668 -0.02896 0.00000 0.00660 0.00000 73 10PZ 0.00000 0.00000 -0.03499 0.00000 -0.00501 74 11PX -0.23530 0.02546 0.00000 -0.32071 0.00000 75 11PY 0.09899 0.04102 0.00000 0.28621 0.00000 76 11PZ 0.00000 0.00000 -0.27305 0.00000 0.15699 77 12PX 0.50356 -0.10080 0.00000 0.89982 0.00000 78 12PY -0.41326 0.69075 0.00000 -0.60800 0.00000 79 12PZ 0.00000 0.00000 0.65354 0.00000 -0.17144 80 13D 0 -0.14094 -0.05744 0.00000 0.05559 0.00000 81 13D+1 0.00000 0.00000 0.09777 0.00000 0.00622 82 13D-1 0.00000 0.00000 0.04577 0.00000 -0.03000 83 13D+2 0.03358 0.03802 0.00000 0.07877 0.00000 84 13D-2 -0.10939 0.01813 0.00000 0.03018 0.00000 85 14D 0 -0.56113 -0.25884 0.00000 0.17575 0.00000 86 14D+1 0.00000 0.00000 0.37238 0.00000 0.05843 87 14D-1 0.00000 0.00000 0.18736 0.00000 -0.06795 88 14D+2 0.15896 0.06839 0.00000 0.30228 0.00000 89 14D-2 -0.41977 0.07680 0.00000 0.16702 0.00000 90 4 H 1S 0.00608 0.00684 0.03274 0.00167 -0.09053 91 2S 0.30127 0.32081 0.46202 -0.37126 -0.19624 92 3S -0.61525 0.28096 -0.94763 -0.33918 2.78467 93 4PX 0.03810 0.00668 -0.01463 -0.02110 0.05378 94 4PY -0.00372 -0.02118 -0.00657 0.04889 -0.02775 95 4PZ 0.00309 -0.02465 0.00237 0.00495 -0.04234 96 5 H 1S 0.00608 0.00684 -0.03274 0.00167 0.09053 97 2S 0.30127 0.32081 -0.46202 -0.37126 0.19624 98 3S -0.61525 0.28096 0.94763 -0.33918 -2.78467 99 4PX 0.03810 0.00668 0.01463 -0.02110 -0.05378 100 4PY -0.00372 -0.02118 0.00657 0.04889 0.02775 101 4PZ -0.00309 0.02465 0.00237 -0.00495 -0.04234 102 6 H 1S -0.01640 -0.07314 0.00000 -0.01409 0.00000 103 2S -0.63793 -0.67483 0.00000 -1.27377 0.00000 104 3S 1.02707 0.60775 0.00000 -0.33329 0.00000 105 4PX 0.03168 -0.02821 0.00000 0.07496 0.00000 106 4PY 0.02507 0.01962 0.00000 0.07590 0.00000 107 4PZ 0.00000 0.00000 0.01919 0.00000 -0.01996 108 7 H 1S 0.01452 -0.01473 0.05905 -0.03527 0.05447 109 2S 0.09708 -0.45574 -0.40413 0.00393 0.18473 110 3S 0.07738 -0.44117 -1.41225 0.30871 -1.19122 111 4PX 0.00447 0.01040 0.06208 -0.02546 0.04272 112 4PY 0.01069 -0.01347 -0.03177 0.04564 -0.02278 113 4PZ 0.00864 0.03189 0.05561 -0.01562 0.01131 114 8 H 1S 0.01452 -0.01473 -0.05905 -0.03527 -0.05447 115 2S 0.09708 -0.45574 0.40413 0.00393 -0.18473 116 3S 0.07738 -0.44117 1.41225 0.30871 1.19122 117 4PX 0.00447 0.01040 -0.06208 -0.02546 -0.04272 118 4PY 0.01069 -0.01347 0.03177 0.04564 0.02278 119 4PZ -0.00864 -0.03189 0.05561 0.01562 0.01131 51 52 53 54 55 V V V V V Eigenvalues -- 0.59814 0.60054 0.63905 0.68713 0.72530 1 1 C 1S -0.00806 0.00000 0.00732 -0.04190 -0.01204 2 2S -0.01530 0.00000 0.00915 -0.07641 -0.02195 3 2PX 0.06465 0.00000 -0.11254 0.06574 0.01260 4 2PY 0.21655 0.00000 0.06454 -0.00315 -0.04790 5 2PZ 0.00000 -0.18175 0.00000 0.00000 0.00000 6 3S 0.04531 0.00000 0.17395 0.27068 0.08994 7 3PX 0.03841 0.00000 -0.43641 0.22000 -0.01677 8 3PY 0.64670 0.00000 0.20934 -0.02284 -0.13159 9 3PZ 0.00000 -0.53637 0.00000 0.00000 0.00000 10 4S 1.69513 0.00000 -1.19953 1.95915 0.82584 11 4PX -1.29876 0.00000 0.90132 -1.97215 -0.61129 12 4PY -1.83140 0.00000 -0.42855 -0.05683 1.10377 13 4PZ 0.00000 0.81802 0.00000 0.00000 0.00000 14 5S -3.92623 0.00000 -2.74289 -16.57565 -3.79551 15 5PX 0.74046 0.00000 0.69786 4.05166 0.95778 16 5PY -1.34369 0.00000 -0.33416 -0.12683 -0.26186 17 5PZ 0.00000 0.50569 0.00000 0.00000 0.00000 18 6D 0 0.00548 0.00000 -0.00047 0.00089 -0.00263 19 6D+1 0.00000 -0.00410 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00732 0.00000 0.00000 0.00000 21 6D+2 0.00641 0.00000 0.00694 -0.00162 -0.00073 22 6D-2 -0.01137 0.00000 -0.00426 -0.00410 0.00310 23 7D 0 0.21478 0.00000 0.10960 -0.13586 -0.10711 24 7D+1 0.00000 -0.04442 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.37940 0.00000 0.00000 0.00000 26 7D+2 0.33817 0.00000 0.11018 0.04962 0.07592 27 7D-2 -0.26509 0.00000 0.18639 -0.09246 0.09860 28 2 C 1S -0.01092 0.00000 0.01858 0.05790 0.01889 29 2S -0.02004 0.00000 0.03031 0.10679 0.03290 30 2PX 0.03920 0.00000 0.08177 0.05881 0.06201 31 2PY 0.03323 0.00000 -0.09135 -0.10851 0.16817 32 2PZ 0.00000 -0.12562 0.00000 0.00000 0.00000 33 3S 0.14952 0.00000 -0.04947 -0.56589 0.01999 34 3PX 0.14143 0.00000 0.35075 0.16101 0.21004 35 3PY 0.19204 0.00000 -0.42275 -0.41222 0.48831 36 3PZ 0.00000 -0.40010 0.00000 0.00000 0.00000 37 4S -1.31569 0.00000 0.75476 -0.63210 -2.49789 38 4PX -2.08981 0.00000 0.15079 -2.23243 -0.65257 39 4PY -0.39626 0.00000 1.03465 1.43474 -0.79260 40 4PZ 0.00000 2.29910 0.00000 0.00000 0.00000 41 5S 7.18811 0.00000 5.99650 21.07591 -2.27783 42 5PX 1.62508 0.00000 1.40856 3.10945 1.99705 43 5PY -0.86922 0.00000 -0.49452 -1.76827 2.16943 44 5PZ 0.00000 -0.15695 0.00000 0.00000 0.00000 45 6D 0 -0.00178 0.00000 -0.00153 0.00156 -0.00842 46 6D+1 0.00000 0.00696 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00183 0.00000 0.00000 0.00000 48 6D+2 0.01264 0.00000 0.00066 0.00285 -0.00102 49 6D-2 -0.01102 0.00000 -0.00883 -0.00036 0.00618 50 7D 0 0.08693 0.00000 -0.14023 0.34047 -0.14976 51 7D+1 0.00000 -0.11840 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.42520 0.00000 0.00000 0.00000 53 7D+2 -0.11969 0.00000 0.02654 -0.11026 -0.10899 54 7D-2 0.19114 0.00000 -0.06736 0.01066 0.09937 55 3 Cl 1S -0.00118 0.00000 0.00765 0.00047 0.01048 56 2S -0.00345 0.00000 0.02125 0.00147 0.02885 57 3S 0.00780 0.00000 -0.03752 -0.00414 -0.04859 58 4S 0.01232 0.00000 -0.12522 -0.00153 -0.18326 59 5S 0.01108 0.00000 0.38335 -0.04294 0.66916 60 6S -0.31133 0.00000 -0.13025 0.42230 -1.22746 61 7S -3.55063 0.00000 -0.61717 -4.42998 6.07031 62 7PX -1.26844 0.00000 -0.31486 -0.27845 0.48414 63 7PY -0.52254 0.00000 0.23548 -1.14427 1.29927 64 7PZ 0.00000 0.39080 0.00000 0.00000 0.00000 65 8PX 0.02524 0.00000 -0.00735 -0.02045 0.00448 66 8PY -0.00827 0.00000 -0.03273 -0.01011 -0.01106 67 8PZ 0.00000 -0.02461 0.00000 0.00000 0.00000 68 9PX -0.01163 0.00000 0.00269 0.01151 -0.00505 69 9PY 0.00205 0.00000 0.01389 0.00498 -0.00071 70 9PZ 0.00000 0.01047 0.00000 0.00000 0.00000 71 10PX -0.01805 0.00000 0.01069 -0.00427 0.02618 72 10PY 0.02621 0.00000 0.03402 0.00147 0.06726 73 10PZ 0.00000 0.02602 0.00000 0.00000 0.00000 74 11PX -0.20887 0.00000 0.03578 0.29571 -0.23751 75 11PY -0.06028 0.00000 0.22625 0.14086 -0.30186 76 11PZ 0.00000 0.15380 0.00000 0.00000 0.00000 77 12PX 0.25171 0.00000 0.25453 -0.28332 0.74405 78 12PY -0.80496 0.00000 0.04016 -0.04613 0.87557 79 12PZ 0.00000 -0.70829 0.00000 0.00000 0.00000 80 13D 0 0.03541 0.00000 -0.03060 0.01201 -0.11724 81 13D+1 0.00000 -0.06797 0.00000 0.00000 0.00000 82 13D-1 0.00000 -0.03166 0.00000 0.00000 0.00000 83 13D+2 0.03814 0.00000 -0.00564 -0.03442 -0.09275 84 13D-2 0.04953 0.00000 0.00966 0.01054 0.16876 85 14D 0 0.19594 0.00000 -0.13811 0.02774 -0.41085 86 14D+1 0.00000 -0.25949 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.19542 0.00000 0.00000 0.00000 88 14D+2 0.22315 0.00000 -0.03422 -0.09254 -0.33122 89 14D-2 0.15319 0.00000 0.09244 0.11333 0.59656 90 4 H 1S -0.01711 0.02940 0.08870 0.07907 -0.01812 91 2S -0.12249 -0.64155 0.76865 0.61773 0.35802 92 3S -0.13405 -1.15382 -1.81977 -3.25382 0.49251 93 4PX -0.01870 0.01269 -0.02519 -0.00486 0.00536 94 4PY -0.00389 0.04529 0.01313 0.01496 -0.01270 95 4PZ -0.01641 0.08137 0.00364 0.05937 -0.02101 96 5 H 1S -0.01711 -0.02940 0.08870 0.07907 -0.01812 97 2S -0.12249 0.64155 0.76865 0.61773 0.35802 98 3S -0.13405 1.15382 -1.81977 -3.25382 0.49251 99 4PX -0.01870 -0.01269 -0.02519 -0.00486 0.00536 100 4PY -0.00389 -0.04529 0.01313 0.01496 -0.01270 101 4PZ 0.01641 0.08137 -0.00364 -0.05937 0.02101 102 6 H 1S -0.11123 0.00000 0.02725 -0.06643 -0.00055 103 2S -0.30005 0.00000 0.50119 -0.85934 -0.40647 104 3S 3.08927 0.00000 -0.14733 1.79903 -0.12716 105 4PX -0.03894 0.00000 -0.01012 -0.02093 0.04370 106 4PY -0.09267 0.00000 -0.00503 -0.00957 0.00189 107 4PZ 0.00000 -0.03406 0.00000 0.00000 0.00000 108 7 H 1S 0.03428 0.05462 0.07012 -0.06139 -0.02990 109 2S -0.06714 0.21959 0.86322 -0.89477 -0.06428 110 3S -1.31369 -1.50167 -1.22445 1.71669 0.89901 111 4PX 0.02211 -0.01550 0.00713 0.02216 -0.02422 112 4PY -0.00093 -0.04096 0.01040 0.00405 0.00783 113 4PZ 0.03073 0.05110 0.00513 -0.02659 -0.01710 114 8 H 1S 0.03428 -0.05462 0.07012 -0.06139 -0.02990 115 2S -0.06714 -0.21959 0.86322 -0.89477 -0.06428 116 3S -1.31369 1.50167 -1.22445 1.71669 0.89901 117 4PX 0.02211 0.01550 0.00713 0.02216 -0.02422 118 4PY -0.00093 0.04096 0.01040 0.00405 0.00783 119 4PZ -0.03073 0.05110 -0.00513 0.02659 0.01710 56 57 58 59 60 V V V V V Eigenvalues -- 0.77687 0.78457 0.84487 0.89393 0.91485 1 1 C 1S 0.08174 0.01985 0.00000 0.00000 -0.05071 2 2S 0.15815 0.03999 0.00000 0.00000 -0.10615 3 2PX -0.06737 -0.03814 0.00000 0.00000 -0.03157 4 2PY 0.01757 -0.07071 0.00000 0.00000 -0.03923 5 2PZ 0.00000 0.00000 0.02562 -0.04042 0.00000 6 3S -1.34908 -0.44478 0.00000 0.00000 1.37351 7 3PX -0.24789 -0.20427 0.00000 0.00000 -0.09426 8 3PY 0.07517 -0.23485 0.00000 0.00000 -0.17708 9 3PZ 0.00000 0.00000 0.24690 -0.18204 0.00000 10 4S 4.93854 3.30106 0.00000 0.00000 -7.65253 11 4PX 1.48180 -0.72588 0.00000 0.00000 2.07314 12 4PY -0.52872 2.18371 0.00000 0.00000 -0.26137 13 4PZ 0.00000 0.00000 -0.45173 -2.68677 0.00000 14 5S 5.59268 -1.24438 0.00000 0.00000 4.82889 15 5PX -1.24273 0.46779 0.00000 0.00000 -1.50001 16 5PY -0.10320 -0.25160 0.00000 0.00000 0.32155 17 5PZ 0.00000 0.00000 -0.02314 0.42365 0.00000 18 6D 0 0.00120 0.00492 0.00000 0.00000 0.00226 19 6D+1 0.00000 0.00000 0.00276 0.00317 0.00000 20 6D-1 0.00000 0.00000 -0.00011 0.00209 0.00000 21 6D+2 0.00268 0.00085 0.00000 0.00000 0.00447 22 6D-2 -0.00233 -0.01444 0.00000 0.00000 -0.00605 23 7D 0 0.30607 -0.59894 0.00000 0.00000 0.08660 24 7D+1 0.00000 0.00000 0.54137 0.39466 0.00000 25 7D-1 0.00000 0.00000 -0.05182 0.94048 0.00000 26 7D+2 -0.40954 -0.30409 0.00000 0.00000 0.14530 27 7D-2 0.00123 -0.41793 0.00000 0.00000 -0.37720 28 2 C 1S 0.05351 -0.01770 0.00000 0.00000 0.05659 29 2S 0.10395 -0.03684 0.00000 0.00000 0.12258 30 2PX 0.05345 0.01107 0.00000 0.00000 -0.01716 31 2PY 0.00806 -0.04196 0.00000 0.00000 0.01546 32 2PZ 0.00000 0.00000 0.01747 0.05193 0.00000 33 3S -0.91075 0.46531 0.00000 0.00000 -1.56858 34 3PX 0.23690 0.13946 0.00000 0.00000 -0.06631 35 3PY 0.17003 -0.15359 0.00000 0.00000 0.23991 36 3PZ 0.00000 0.00000 -0.02673 0.22723 0.00000 37 4S 3.45029 -2.90585 0.00000 0.00000 7.97276 38 4PX -1.22376 -1.92025 0.00000 0.00000 1.78128 39 4PY 0.59671 -0.98850 0.00000 0.00000 0.22263 40 4PZ 0.00000 0.00000 2.00719 2.98272 0.00000 41 5S -0.46409 0.27779 0.00000 0.00000 -4.78268 42 5PX -0.93305 1.05555 0.00000 0.00000 -1.52661 43 5PY -0.55548 0.66691 0.00000 0.00000 -0.01878 44 5PZ 0.00000 0.00000 -0.22936 -0.35518 0.00000 45 6D 0 0.00043 -0.00364 0.00000 0.00000 0.01282 46 6D+1 0.00000 0.00000 -0.01114 -0.00550 0.00000 47 6D-1 0.00000 0.00000 -0.00855 0.00129 0.00000 48 6D+2 0.00441 0.01263 0.00000 0.00000 0.00113 49 6D-2 -0.00139 0.01128 0.00000 0.00000 0.00466 50 7D 0 0.52866 -0.08938 0.00000 0.00000 0.46762 51 7D+1 0.00000 0.00000 -0.45525 0.14789 0.00000 52 7D-1 0.00000 0.00000 -0.35740 0.86643 0.00000 53 7D+2 -0.19399 -0.06547 0.00000 0.00000 0.31865 54 7D-2 -0.10030 0.16183 0.00000 0.00000 -0.31672 55 3 Cl 1S -0.00392 -0.00136 0.00000 0.00000 -0.00009 56 2S -0.01089 -0.00386 0.00000 0.00000 -0.00066 57 3S 0.01916 0.00747 0.00000 0.00000 0.00490 58 4S 0.06581 0.01985 0.00000 0.00000 -0.01311 59 5S -0.20749 -0.02772 0.00000 0.00000 0.09571 60 6S 0.00172 -0.45625 0.00000 0.00000 -0.43525 61 7S -2.55070 1.41367 0.00000 0.00000 -0.17411 62 7PX -0.41782 -0.29316 0.00000 0.00000 -0.10871 63 7PY -0.48731 0.52985 0.00000 0.00000 0.09299 64 7PZ 0.00000 0.00000 0.42193 0.02401 0.00000 65 8PX -0.00314 0.01973 0.00000 0.00000 -0.00307 66 8PY 0.00247 0.00517 0.00000 0.00000 -0.00109 67 8PZ 0.00000 0.00000 0.00937 0.00664 0.00000 68 9PX 0.00178 -0.01050 0.00000 0.00000 -0.00325 69 9PY -0.00262 -0.00253 0.00000 0.00000 -0.00085 70 9PZ 0.00000 0.00000 -0.00269 -0.00295 0.00000 71 10PX 0.00135 -0.00118 0.00000 0.00000 0.04397 72 10PY 0.01194 0.00159 0.00000 0.00000 0.01015 73 10PZ 0.00000 0.00000 -0.02360 -0.00755 0.00000 74 11PX 0.02330 -0.27554 0.00000 0.00000 -0.21627 75 11PY -0.11287 -0.09626 0.00000 0.00000 -0.02909 76 11PZ 0.00000 0.00000 0.04783 -0.05991 0.00000 77 12PX -0.14382 0.85135 0.00000 0.00000 0.24429 78 12PY -0.26829 -0.37016 0.00000 0.00000 -0.43843 79 12PZ 0.00000 0.00000 -0.95810 -0.17381 0.00000 80 13D 0 -0.01319 -0.00616 0.00000 0.00000 -0.07443 81 13D+1 0.00000 0.00000 -0.06332 0.03852 0.00000 82 13D-1 0.00000 0.00000 -0.17308 -0.02133 0.00000 83 13D+2 -0.03291 0.12515 0.00000 0.00000 0.08738 84 13D-2 0.03335 0.05729 0.00000 0.00000 0.03057 85 14D 0 -0.05123 0.00025 0.00000 0.00000 -0.18991 86 14D+1 0.00000 0.00000 -0.30024 0.10149 0.00000 87 14D-1 0.00000 0.00000 -0.71719 -0.06979 0.00000 88 14D+2 -0.04132 0.47377 0.00000 0.00000 0.22646 89 14D-2 0.10276 0.18552 0.00000 0.00000 0.05837 90 4 H 1S 0.00972 -0.00047 -0.00680 -0.02788 0.00698 91 2S -0.76017 0.52719 -0.70937 -1.60447 -1.44393 92 3S -1.41194 0.06451 -0.25271 -0.17396 -0.17153 93 4PX -0.02781 0.00254 -0.07168 0.04213 -0.07306 94 4PY 0.04417 -0.05963 -0.08556 0.00847 0.04270 95 4PZ 0.08330 -0.01403 0.05913 0.09651 0.12321 96 5 H 1S 0.00972 -0.00047 0.00680 0.02788 0.00698 97 2S -0.76017 0.52719 0.70937 1.60447 -1.44393 98 3S -1.41194 0.06451 0.25271 0.17396 -0.17153 99 4PX -0.02781 0.00254 0.07168 -0.04213 -0.07306 100 4PY 0.04417 -0.05963 0.08556 -0.00847 0.04270 101 4PZ -0.08330 0.01403 0.05913 0.09651 -0.12321 102 6 H 1S 0.03907 0.00292 0.00000 0.00000 -0.01134 103 2S -0.27596 -0.87972 0.00000 0.00000 1.50122 104 3S -1.82075 -1.06107 0.00000 0.00000 -0.15361 105 4PX 0.04426 -0.02807 0.00000 0.00000 -0.09189 106 4PY 0.09747 0.12209 0.00000 0.00000 -0.08943 107 4PZ 0.00000 0.00000 0.03161 -0.02098 0.00000 108 7 H 1S 0.04549 0.03878 -0.00834 0.03173 -0.01362 109 2S -0.44666 0.30040 -0.32094 1.44850 0.74784 110 3S -2.45077 -0.01660 0.23665 0.02392 0.35773 111 4PX 0.02150 0.06231 0.01446 0.06382 -0.05717 112 4PY -0.05674 0.00596 0.01622 0.03052 0.04616 113 4PZ 0.09657 -0.01113 0.03571 -0.08491 -0.07279 114 8 H 1S 0.04549 0.03878 0.00834 -0.03173 -0.01362 115 2S -0.44666 0.30040 0.32094 -1.44850 0.74784 116 3S -2.45077 -0.01660 -0.23665 -0.02392 0.35773 117 4PX 0.02150 0.06231 -0.01446 -0.06382 -0.05717 118 4PY -0.05674 0.00596 -0.01622 -0.03052 0.04616 119 4PZ -0.09657 0.01113 0.03571 -0.08491 0.07279 61 62 63 64 65 V V V V V Eigenvalues -- 0.96292 1.04038 1.13658 1.16617 1.17618 1 1 C 1S -0.01393 0.00000 -0.00333 0.00000 -0.00728 2 2S -0.02987 0.00000 -0.00379 0.00000 -0.01560 3 2PX 0.00819 0.00000 -0.06583 0.00000 0.00084 4 2PY 0.07635 0.00000 -0.08758 0.00000 -0.02179 5 2PZ 0.00000 -0.00013 0.00000 -0.08726 0.00000 6 3S 0.46263 0.00000 -0.06032 0.00000 0.14862 7 3PX 0.10984 0.00000 -0.09172 0.00000 0.02080 8 3PY 0.52954 0.00000 -0.09006 0.00000 -0.37459 9 3PZ 0.00000 0.25399 0.00000 -0.68481 0.00000 10 4S -3.45477 0.00000 1.18984 0.00000 -0.73599 11 4PX 1.31530 0.00000 -1.04663 0.00000 0.23082 12 4PY 1.65474 0.00000 -1.09824 0.00000 -0.86580 13 4PZ 0.00000 0.38563 0.00000 -1.40346 0.00000 14 5S 4.14940 0.00000 -1.51587 0.00000 1.73208 15 5PX -1.29962 0.00000 0.50028 0.00000 -0.48540 16 5PY -0.57079 0.00000 0.23007 0.00000 0.38163 17 5PZ 0.00000 -0.38764 0.00000 0.32736 0.00000 18 6D 0 -0.00486 0.00000 0.01312 0.00000 0.01516 19 6D+1 0.00000 -0.01535 0.00000 -0.01923 0.00000 20 6D-1 0.00000 -0.00772 0.00000 0.02109 0.00000 21 6D+2 -0.00344 0.00000 -0.00006 0.00000 0.00830 22 6D-2 0.00030 0.00000 -0.03133 0.00000 -0.00201 23 7D 0 -0.98918 0.00000 -0.10186 0.00000 1.01322 24 7D+1 0.00000 1.36361 0.00000 -0.65038 0.00000 25 7D-1 0.00000 -0.82082 0.00000 1.54122 0.00000 26 7D+2 -0.61078 0.00000 0.47669 0.00000 0.20815 27 7D-2 0.73014 0.00000 0.95266 0.00000 -1.11441 28 2 C 1S 0.03925 0.00000 0.00233 0.00000 -0.00001 29 2S 0.08557 0.00000 0.00244 0.00000 -0.00542 30 2PX 0.01296 0.00000 -0.00192 0.00000 0.02493 31 2PY 0.00420 0.00000 0.02068 0.00000 0.00041 32 2PZ 0.00000 -0.00575 0.00000 -0.07985 0.00000 33 3S -0.90828 0.00000 0.18996 0.00000 0.32345 34 3PX 0.14741 0.00000 -0.00320 0.00000 0.15387 35 3PY 0.32170 0.00000 -0.08009 0.00000 -0.00329 36 3PZ 0.00000 -0.24693 0.00000 -0.66886 0.00000 37 4S 3.37808 0.00000 -2.24705 0.00000 -1.93927 38 4PX 1.32016 0.00000 -0.77276 0.00000 1.13022 39 4PY -1.61976 0.00000 2.26962 0.00000 -0.20660 40 4PZ 0.00000 -0.44669 0.00000 -1.56716 0.00000 41 5S -2.05766 0.00000 5.52698 0.00000 0.03667 42 5PX -1.53457 0.00000 -0.10814 0.00000 -1.01740 43 5PY -0.05237 0.00000 -1.52952 0.00000 -0.47968 44 5PZ 0.00000 0.49402 0.00000 0.54159 0.00000 45 6D 0 0.00061 0.00000 -0.00309 0.00000 -0.01897 46 6D+1 0.00000 -0.00639 0.00000 0.01983 0.00000 47 6D-1 0.00000 -0.00527 0.00000 -0.01706 0.00000 48 6D+2 -0.00915 0.00000 0.00522 0.00000 -0.01562 49 6D-2 -0.01038 0.00000 0.01661 0.00000 0.01540 50 7D 0 -0.46047 0.00000 0.23087 0.00000 -0.47623 51 7D+1 0.00000 1.44216 0.00000 0.87042 0.00000 52 7D-1 0.00000 -0.66361 0.00000 -1.56957 0.00000 53 7D+2 -0.12583 0.00000 0.52057 0.00000 -0.13821 54 7D-2 0.05634 0.00000 1.19171 0.00000 -0.50079 55 3 Cl 1S -0.01621 0.00000 -0.01697 0.00000 -0.02342 56 2S -0.04465 0.00000 -0.04599 0.00000 -0.06410 57 3S 0.07520 0.00000 0.07029 0.00000 0.10357 58 4S 0.29196 0.00000 0.34234 0.00000 0.45380 59 5S -1.00104 0.00000 -1.44633 0.00000 -1.88917 60 6S 0.40540 0.00000 2.65332 0.00000 2.73063 61 7S -2.25993 0.00000 -3.87923 0.00000 -2.13126 62 7PX -0.29758 0.00000 -0.77630 0.00000 -0.39681 63 7PY -0.69693 0.00000 -1.26692 0.00000 -1.21915 64 7PZ 0.00000 -0.14497 0.00000 -0.30965 0.00000 65 8PX 0.02793 0.00000 -0.04801 0.00000 0.00977 66 8PY 0.01849 0.00000 0.00521 0.00000 -0.01900 67 8PZ 0.00000 -0.00116 0.00000 0.01683 0.00000 68 9PX -0.01165 0.00000 0.01856 0.00000 -0.00588 69 9PY -0.01104 0.00000 -0.00163 0.00000 0.00512 70 9PZ 0.00000 0.00105 0.00000 -0.00659 0.00000 71 10PX -0.02933 0.00000 0.08057 0.00000 0.00075 72 10PY 0.01878 0.00000 -0.01185 0.00000 0.05036 73 10PZ 0.00000 -0.00246 0.00000 -0.02576 0.00000 74 11PX -0.26077 0.00000 0.20973 0.00000 -0.14780 75 11PY -0.43641 0.00000 0.00916 0.00000 -0.05540 76 11PZ 0.00000 0.02121 0.00000 -0.09163 0.00000 77 12PX -0.19243 0.00000 0.63286 0.00000 0.42584 78 12PY -0.00115 0.00000 0.69103 0.00000 1.34443 79 12PZ 0.00000 0.14048 0.00000 0.36215 0.00000 80 13D 0 -0.01871 0.00000 0.00975 0.00000 -0.06341 81 13D+1 0.00000 -0.05828 0.00000 0.00338 0.00000 82 13D-1 0.00000 0.04929 0.00000 0.01800 0.00000 83 13D+2 -0.05670 0.00000 0.02621 0.00000 -0.07124 84 13D-2 -0.01869 0.00000 0.09485 0.00000 0.05693 85 14D 0 0.03618 0.00000 -0.02181 0.00000 -0.14858 86 14D+1 0.00000 -0.14327 0.00000 -0.08562 0.00000 87 14D-1 0.00000 0.18103 0.00000 -0.01951 0.00000 88 14D+2 -0.08887 0.00000 0.29117 0.00000 -0.35198 89 14D-2 -0.21807 0.00000 0.40185 0.00000 0.09343 90 4 H 1S 0.01747 0.00252 -0.01416 -0.06713 -0.01666 91 2S 0.23338 1.34149 0.24371 2.34194 0.75777 92 3S -0.10142 -0.53479 -0.71869 -0.68115 0.18379 93 4PX -0.04653 0.09685 0.04719 0.04633 0.01958 94 4PY 0.01235 -0.01652 -0.02274 -0.10469 0.05378 95 4PZ 0.03527 -0.05261 0.01075 -0.08314 -0.05254 96 5 H 1S 0.01747 -0.00252 -0.01416 0.06713 -0.01666 97 2S 0.23338 -1.34149 0.24371 -2.34194 0.75777 98 3S -0.10142 0.53479 -0.71869 0.68115 0.18379 99 4PX -0.04653 -0.09685 0.04719 -0.04633 0.01958 100 4PY 0.01235 0.01652 -0.02274 0.10469 0.05378 101 4PZ -0.03527 -0.05261 -0.01075 -0.08314 0.05254 102 6 H 1S -0.01451 0.00000 -0.01338 0.00000 -0.03720 103 2S -1.92340 0.00000 0.16648 0.00000 1.85554 104 3S 0.65893 0.00000 0.12563 0.00000 -0.47033 105 4PX -0.00357 0.00000 0.12117 0.00000 -0.07527 106 4PY 0.11371 0.00000 0.01528 0.00000 -0.06000 107 4PZ 0.00000 -0.01379 0.00000 0.03981 0.00000 108 7 H 1S 0.00043 -0.00164 0.02910 -0.08134 0.03327 109 2S 1.46574 -1.34453 0.12082 2.19133 -0.98888 110 3S -0.40588 0.47292 -0.13020 -0.59733 0.35683 111 4PX -0.02662 0.06921 -0.00403 -0.04449 0.06408 112 4PY 0.07481 -0.04167 0.02082 0.08594 0.02052 113 4PZ -0.06888 0.05602 -0.00012 -0.08621 0.04923 114 8 H 1S 0.00043 0.00164 0.02910 0.08134 0.03327 115 2S 1.46574 1.34453 0.12082 -2.19133 -0.98888 116 3S -0.40588 -0.47292 -0.13020 0.59733 0.35683 117 4PX -0.02662 -0.06921 -0.00403 0.04449 0.06408 118 4PY 0.07481 0.04167 0.02082 -0.08594 0.02052 119 4PZ 0.06888 0.05602 0.00012 -0.08621 -0.04923 66 67 68 69 70 V V V V V Eigenvalues -- 1.23792 1.24430 1.30789 1.44343 1.61229 1 1 C 1S -0.04714 0.01743 -0.01061 0.00000 0.00000 2 2S -0.11545 0.03049 -0.02025 0.00000 0.00000 3 2PX 0.03926 0.16391 -0.07801 0.00000 0.00000 4 2PY -0.01411 -0.04545 -0.02294 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.00055 -0.09016 6 3S 1.32412 0.11552 0.02626 0.00000 0.00000 7 3PX -0.56815 0.98978 -0.70423 0.00000 0.00000 8 3PY 0.07306 -0.31008 -0.24113 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00407 0.01520 10 4S -0.74489 -6.80311 3.99669 0.00000 0.00000 11 4PX 1.83502 4.07953 -2.35500 0.00000 0.00000 12 4PY -0.16700 -0.99201 -0.59282 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.03213 -1.02762 14 5S -1.48064 3.33079 -2.91156 0.00000 0.00000 15 5PX -0.09722 -1.22390 0.82958 0.00000 0.00000 16 5PY -0.09104 0.24298 -0.17244 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 -0.02512 0.12134 18 6D 0 -0.00552 0.00351 0.01142 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00052 0.00093 20 6D-1 0.00000 0.00000 0.00000 0.00028 0.03684 21 6D+2 0.01191 0.00368 -0.00142 0.00000 0.00000 22 6D-2 -0.00847 -0.01012 -0.01451 0.00000 0.00000 23 7D 0 0.61765 1.22921 0.17723 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00112 0.33410 25 7D-1 0.00000 0.00000 0.00000 -0.00044 0.06110 26 7D+2 -1.23809 -1.10632 1.11499 0.00000 0.00000 27 7D-2 0.37370 0.11785 -0.46652 0.00000 0.00000 28 2 C 1S -0.04071 0.00233 0.02582 0.00000 0.00000 29 2S -0.09856 0.02097 0.06444 0.00000 0.00000 30 2PX -0.01631 0.14279 -0.14465 0.00000 0.00000 31 2PY 0.00410 -0.07733 -0.11544 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.00518 0.07671 33 3S 1.01572 -0.80553 -0.70619 0.00000 0.00000 34 3PX 0.83063 0.89116 -0.40685 0.00000 0.00000 35 3PY -0.04934 -0.23053 -0.01179 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.00170 -0.21442 37 4S 1.55824 8.30248 -1.26493 0.00000 0.00000 38 4PX -1.13756 3.87320 -3.57134 0.00000 0.00000 39 4PY 0.35792 -1.52209 -2.04738 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.04358 1.67115 41 5S 2.13043 -4.03153 2.72971 0.00000 0.00000 42 5PX 0.77032 -1.18075 1.36975 0.00000 0.00000 43 5PY -0.40222 0.54136 0.46959 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.05052 0.09651 45 6D 0 0.00157 0.00119 -0.00168 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00078 0.00372 47 6D-1 0.00000 0.00000 0.00000 -0.00268 -0.00351 48 6D+2 0.01447 -0.00780 0.01360 0.00000 0.00000 49 6D-2 0.00353 -0.00277 -0.01086 0.00000 0.00000 50 7D 0 0.60457 -1.56412 -0.48952 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00124 0.32609 52 7D-1 0.00000 0.00000 0.00000 -0.00299 -0.31017 53 7D+2 -0.76157 1.13116 -1.75474 0.00000 0.00000 54 7D-2 0.29025 0.51373 1.31754 0.00000 0.00000 55 3 Cl 1S -0.00191 0.00491 0.00457 0.00000 0.00000 56 2S -0.00526 0.01275 0.01122 0.00000 0.00000 57 3S 0.00897 -0.01391 -0.00552 0.00000 0.00000 58 4S 0.03495 -0.12326 -0.14257 0.00000 0.00000 59 5S -0.09535 0.70404 1.01067 0.00000 0.00000 60 6S -0.22377 -2.03616 -3.59065 0.00000 0.00000 61 7S -0.84590 0.97843 0.47804 0.00000 0.00000 62 7PX -0.38194 0.47336 0.06476 0.00000 0.00000 63 7PY -0.09586 0.46584 0.52307 0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00587 0.09376 65 8PX -0.00387 0.00409 0.04362 0.00000 0.00000 66 8PY 0.00965 0.04932 0.06763 0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 -0.00848 0.04529 68 9PX -0.00025 -0.00413 -0.02067 0.00000 0.00000 69 9PY -0.00430 -0.02117 -0.03360 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00238 -0.01247 71 10PX 0.02617 0.02362 -0.02582 0.00000 0.00000 72 10PY -0.00428 -0.05133 -0.01701 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.02373 -0.13780 74 11PX -0.10976 -0.24742 -0.54248 0.00000 0.00000 75 11PY -0.16310 -0.47446 -1.03937 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 -0.00020 0.06141 77 12PX 0.20292 -0.58168 -0.70381 0.00000 0.00000 78 12PY -0.21706 -0.69270 -1.46431 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 -0.04849 -0.38279 80 13D 0 -0.04380 0.02658 0.01800 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 -0.01300 -0.09697 82 13D-1 0.00000 0.00000 0.00000 -0.00912 -0.08148 83 13D+2 0.04375 0.03214 0.01469 0.00000 0.00000 84 13D-2 -0.00380 -0.01361 -0.02902 0.00000 0.00000 85 14D 0 -0.05292 0.24926 0.43787 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 -0.00592 -0.10340 87 14D-1 0.00000 0.00000 0.00000 -0.00626 -0.14555 88 14D+2 0.12670 0.31179 0.36832 0.00000 0.00000 89 14D-2 -0.07984 -0.21692 -0.65499 0.00000 0.00000 90 4 H 1S 0.03276 -0.07811 -0.03406 -0.00118 -0.06179 91 2S -0.64664 0.77894 0.55309 0.00271 -0.04761 92 3S -0.16277 -0.32710 -0.44763 -0.04904 -0.65183 93 4PX -0.00793 0.00502 -0.04504 -0.00125 -0.24928 94 4PY -0.05591 -0.01795 0.00725 -0.01733 0.50517 95 4PZ -0.02911 -0.03624 0.00756 0.01632 -0.51838 96 5 H 1S 0.03276 -0.07811 -0.03406 0.00118 0.06179 97 2S -0.64664 0.77894 0.55309 -0.00271 0.04761 98 3S -0.16277 -0.32710 -0.44763 0.04904 0.65183 99 4PX -0.00793 0.00502 -0.04504 0.00125 0.24928 100 4PY -0.05591 -0.01795 0.00725 0.01733 -0.50517 101 4PZ 0.02911 0.03624 -0.00756 0.01632 -0.51838 102 6 H 1S 0.04291 -0.00888 -0.12759 0.00000 0.00000 103 2S -0.72237 0.61306 1.39178 0.00000 0.00000 104 3S 0.28197 -0.12281 -0.14366 0.00000 0.00000 105 4PX 0.04632 0.00476 -0.02151 0.00000 0.00000 106 4PY -0.04549 -0.02320 -0.11354 0.00000 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.60883 0.21372 108 7 H 1S 0.05559 0.05015 -0.00835 -0.00006 -0.04834 109 2S -0.44162 -0.63451 -0.50655 0.00481 0.28980 110 3S 0.06979 0.08279 0.05817 0.01650 -0.01224 111 4PX 0.02365 -0.01993 -0.04126 -0.03458 -0.00074 112 4PY 0.03133 -0.02566 0.02553 -0.51663 0.05297 113 4PZ -0.04829 0.06185 0.02223 -0.29674 0.07634 114 8 H 1S 0.05559 0.05015 -0.00835 0.00006 0.04834 115 2S -0.44162 -0.63451 -0.50655 -0.00481 -0.28980 116 3S 0.06979 0.08279 0.05817 -0.01650 0.01224 117 4PX 0.02365 -0.01993 -0.04126 0.03458 0.00074 118 4PY 0.03133 -0.02566 0.02553 0.51663 -0.05297 119 4PZ 0.04829 -0.06185 -0.02223 -0.29674 0.07634 71 72 73 74 75 V V V V V Eigenvalues -- 1.70240 1.70722 1.78440 1.89570 1.98494 1 1 C 1S 0.00000 -0.00357 0.00924 -0.00439 0.00000 2 2S 0.00000 -0.00821 0.02047 -0.01756 0.00000 3 2PX 0.00000 -0.02254 0.11881 -0.06365 0.00000 4 2PY 0.00000 0.12032 -0.03316 -0.00244 0.00000 5 2PZ 0.07684 0.00000 0.00000 0.00000 -0.26024 6 3S 0.00000 0.05489 -0.12985 0.19431 0.00000 7 3PX 0.00000 0.01216 -0.31943 0.13198 0.00000 8 3PY 0.00000 -0.22413 -0.01764 0.00152 0.00000 9 3PZ -0.19626 0.00000 0.00000 0.00000 0.18605 10 4S 0.00000 0.14740 0.44264 -0.94735 0.00000 11 4PX 0.00000 -0.10351 0.06553 -0.09475 0.00000 12 4PY 0.00000 1.66937 -0.05482 -0.17943 0.00000 13 4PZ 1.13004 0.00000 0.00000 0.00000 -0.62825 14 5S 0.00000 -0.52329 3.40449 -0.80758 0.00000 15 5PX 0.00000 0.15492 -0.84842 0.40555 0.00000 16 5PY 0.00000 -0.28533 0.31428 0.20999 0.00000 17 5PZ -0.08196 0.00000 0.00000 0.00000 -0.02006 18 6D 0 0.00000 -0.03486 0.01978 -0.03093 0.00000 19 6D+1 -0.03597 0.00000 0.00000 0.00000 -0.02598 20 6D-1 -0.00992 0.00000 0.00000 0.00000 0.01220 21 6D+2 0.00000 -0.01841 0.00658 0.09476 0.00000 22 6D-2 0.00000 -0.01554 -0.01993 -0.01919 0.00000 23 7D 0 0.00000 0.12755 -0.23420 0.43534 0.00000 24 7D+1 -0.54422 0.00000 0.00000 0.00000 0.58706 25 7D-1 0.16016 0.00000 0.00000 0.00000 -0.57670 26 7D+2 0.00000 -0.10923 0.49127 -0.68708 0.00000 27 7D-2 0.00000 -0.70195 -0.16380 0.02296 0.00000 28 2 C 1S 0.00000 -0.00052 -0.01023 0.00827 0.00000 29 2S 0.00000 -0.00299 -0.02067 0.01076 0.00000 30 2PX 0.00000 -0.02944 0.11842 -0.06259 0.00000 31 2PY 0.00000 -0.12530 0.00186 0.05409 0.00000 32 2PZ -0.10991 0.00000 0.00000 0.00000 0.08810 33 3S 0.00000 0.05939 0.20535 -0.01467 0.00000 34 3PX 0.00000 0.01286 -0.29266 0.25982 0.00000 35 3PY 0.00000 0.02049 0.04134 -0.13374 0.00000 36 3PZ 0.00079 0.00000 0.00000 0.00000 -0.12769 37 4S 0.00000 -0.53998 -1.04706 0.57120 0.00000 38 4PX 0.00000 -0.23440 0.47920 0.98386 0.00000 39 4PY 0.00000 -0.99115 0.69970 0.32388 0.00000 40 4PZ -0.46971 0.00000 0.00000 0.00000 0.66664 41 5S 0.00000 -1.20627 -3.16675 1.09162 0.00000 42 5PX 0.00000 0.40635 -1.06869 -0.22135 0.00000 43 5PY 0.00000 0.94287 -0.14537 -0.19450 0.00000 44 5PZ 0.22378 0.00000 0.00000 0.00000 0.05921 45 6D 0 0.00000 -0.04820 0.01189 -0.04782 0.00000 46 6D+1 0.03678 0.00000 0.00000 0.00000 0.03356 47 6D-1 -0.03952 0.00000 0.00000 0.00000 0.05813 48 6D+2 0.00000 -0.01651 0.02642 0.07235 0.00000 49 6D-2 0.00000 0.03831 -0.00723 -0.01713 0.00000 50 7D 0 0.00000 0.07148 0.30100 -0.12823 0.00000 51 7D+1 -0.17275 0.00000 0.00000 0.00000 1.14043 52 7D-1 0.05209 0.00000 0.00000 0.00000 0.57949 53 7D+2 0.00000 0.01374 -0.52431 -0.11344 0.00000 54 7D-2 0.00000 -0.49195 0.11162 -0.03129 0.00000 55 3 Cl 1S 0.00000 -0.00240 -0.00343 0.00057 0.00000 56 2S 0.00000 -0.00707 -0.00917 0.00199 0.00000 57 3S 0.00000 0.01602 0.01262 -0.00725 0.00000 58 4S 0.00000 0.03304 0.08033 0.00313 0.00000 59 5S 0.00000 -0.16709 -0.40885 -0.02574 0.00000 60 6S 0.00000 0.00881 0.97460 0.22993 0.00000 61 7S 0.00000 1.62382 -0.21441 -0.20554 0.00000 62 7PX 0.00000 0.02218 -0.01554 0.24609 0.00000 63 7PY 0.00000 0.35146 -0.28687 -0.18325 0.00000 64 7PZ -0.01026 0.00000 0.00000 0.00000 -0.28412 65 8PX 0.00000 -0.00855 -0.03698 0.04652 0.00000 66 8PY 0.00000 0.01363 -0.08776 -0.04684 0.00000 67 8PZ 0.01019 0.00000 0.00000 0.00000 -0.20715 68 9PX 0.00000 -0.00047 0.00852 -0.01086 0.00000 69 9PY 0.00000 -0.00387 0.02394 0.01380 0.00000 70 9PZ -0.00170 0.00000 0.00000 0.00000 0.05365 71 10PX 0.00000 0.04678 0.13146 -0.16648 0.00000 72 10PY 0.00000 -0.05104 0.28616 0.15372 0.00000 73 10PZ -0.03970 0.00000 0.00000 0.00000 0.72989 74 11PX 0.00000 -0.13884 -0.11439 0.16413 0.00000 75 11PY 0.00000 0.05585 -0.16161 -0.08400 0.00000 76 11PZ 0.05577 0.00000 0.00000 0.00000 -0.60228 77 12PX 0.00000 0.34750 0.16572 -0.24663 0.00000 78 12PY 0.00000 0.10038 0.55781 0.27609 0.00000 79 12PZ 0.02703 0.00000 0.00000 0.00000 0.45565 80 13D 0 0.00000 -0.07754 -0.07597 -0.00973 0.00000 81 13D+1 -0.00598 0.00000 0.00000 0.00000 -0.00902 82 13D-1 -0.00874 0.00000 0.00000 0.00000 0.15164 83 13D+2 0.00000 0.09518 -0.00298 -0.09042 0.00000 84 13D-2 0.00000 0.03753 -0.03206 -0.08091 0.00000 85 14D 0 0.00000 -0.05719 -0.03449 -0.00450 0.00000 86 14D+1 0.01164 0.00000 0.00000 0.00000 0.06611 87 14D-1 0.02407 0.00000 0.00000 0.00000 0.16946 88 14D+2 0.00000 -0.05289 -0.09366 -0.07089 0.00000 89 14D-2 0.00000 0.02985 -0.03106 -0.02892 0.00000 90 4 H 1S -0.08177 -0.06817 0.05887 -0.11298 0.05438 91 2S 0.17556 0.15666 -0.21694 0.27800 -0.09014 92 3S -0.22151 0.12288 0.31732 -0.22781 -0.13248 93 4PX -0.24973 0.10885 -0.64267 -0.32552 -0.64569 94 4PY -0.03158 0.27747 -0.27381 -0.29774 -0.44440 95 4PZ -0.04611 -0.07561 -0.01799 -0.03823 -0.10266 96 5 H 1S 0.08177 -0.06817 0.05887 -0.11298 -0.05438 97 2S -0.17556 0.15666 -0.21694 0.27800 0.09014 98 3S 0.22151 0.12288 0.31732 -0.22781 0.13248 99 4PX 0.24973 0.10885 -0.64267 -0.32552 0.64569 100 4PY 0.03158 0.27747 -0.27381 -0.29774 0.44440 101 4PZ -0.04611 0.07561 0.01799 0.03823 -0.10266 102 6 H 1S 0.00000 -0.00566 -0.12166 -0.11926 0.00000 103 2S 0.00000 -0.13031 0.44193 0.16832 0.00000 104 3S 0.00000 -0.41674 -0.59336 -0.07694 0.00000 105 4PX 0.00000 0.58915 -0.12070 0.73282 0.00000 106 4PY 0.00000 -0.43132 -0.06906 -0.19721 0.00000 107 4PZ -0.51959 0.00000 0.00000 0.00000 0.34154 108 7 H 1S -0.06963 0.02104 -0.01851 -0.04424 0.08421 109 2S 0.07575 0.00455 0.12251 -0.13537 -0.54976 110 3S -0.43047 0.42486 -0.12211 0.20438 0.39660 111 4PX 0.53679 -0.22750 -0.49488 0.57543 -0.01704 112 4PY -0.10475 -0.51540 -0.06880 0.03586 0.13242 113 4PZ -0.41027 -0.09358 0.04067 -0.09469 0.14364 114 8 H 1S 0.06963 0.02104 -0.01851 -0.04424 -0.08421 115 2S -0.07575 0.00455 0.12251 -0.13537 0.54976 116 3S 0.43047 0.42486 -0.12211 0.20438 -0.39660 117 4PX -0.53679 -0.22750 -0.49488 0.57543 0.01704 118 4PY 0.10475 -0.51540 -0.06880 0.03586 -0.13242 119 4PZ -0.41027 0.09358 -0.04067 0.09469 0.14364 76 77 78 79 80 V V V V V Eigenvalues -- 2.10970 2.12503 2.21810 2.23054 2.24787 1 1 C 1S 0.00004 0.00000 0.00000 0.00665 -0.00996 2 2S -0.00241 0.00000 0.00000 0.01441 -0.02238 3 2PX 0.01053 0.00000 0.00000 -0.08080 0.12272 4 2PY -0.32932 0.00000 0.00000 -0.30458 0.14048 5 2PZ 0.00000 0.24531 0.37630 0.00000 0.00000 6 3S 0.06674 0.00000 0.00000 -0.12822 0.14674 7 3PX -0.28621 0.00000 0.00000 0.10851 -0.17798 8 3PY -0.16635 0.00000 0.00000 -0.46906 -0.10841 9 3PZ 0.00000 0.25508 0.49412 0.00000 0.00000 10 4S 0.59870 0.00000 0.00000 0.11005 1.02531 11 4PX -0.30439 0.00000 0.00000 -0.22758 -0.02352 12 4PY -0.83868 0.00000 0.00000 -0.85995 -0.05238 13 4PZ 0.00000 0.40529 0.78343 0.00000 0.00000 14 5S -0.69013 0.00000 0.00000 -3.08582 -3.00037 15 5PX 0.21304 0.00000 0.00000 0.64547 0.82041 16 5PY -0.51726 0.00000 0.00000 -0.28112 0.03972 17 5PZ 0.00000 0.59990 0.12654 0.00000 0.00000 18 6D 0 -0.12229 0.00000 0.00000 -0.05700 -0.00619 19 6D+1 0.00000 -0.05536 -0.07910 0.00000 0.00000 20 6D-1 0.00000 0.12369 0.12155 0.00000 0.00000 21 6D+2 -0.00998 0.00000 0.00000 -0.07633 0.03684 22 6D-2 0.06248 0.00000 0.00000 0.11094 0.01458 23 7D 0 0.30187 0.00000 0.00000 0.62913 0.52998 24 7D+1 0.00000 0.01094 0.85596 0.00000 0.00000 25 7D-1 0.00000 -0.65617 -0.68842 0.00000 0.00000 26 7D+2 0.18862 0.00000 0.00000 0.34418 0.25338 27 7D-2 0.15360 0.00000 0.00000 -0.98152 0.28928 28 2 C 1S -0.01250 0.00000 0.00000 -0.00029 -0.03935 29 2S -0.03264 0.00000 0.00000 0.00802 -0.08295 30 2PX 0.04012 0.00000 0.00000 -0.07636 -0.17845 31 2PY 0.04865 0.00000 0.00000 0.01444 0.37552 32 2PZ 0.00000 -0.33633 0.37672 0.00000 0.00000 33 3S 0.26316 0.00000 0.00000 -0.13985 0.57942 34 3PX -0.08985 0.00000 0.00000 0.07567 0.03618 35 3PY 0.09195 0.00000 0.00000 -0.13971 -0.04437 36 3PZ 0.00000 -0.29357 0.27295 0.00000 0.00000 37 4S -0.03636 0.00000 0.00000 -0.31052 0.06250 38 4PX -0.44581 0.00000 0.00000 -0.15862 -0.75309 39 4PY 0.18905 0.00000 0.00000 -0.33847 0.94479 40 4PZ 0.00000 -0.50329 1.22340 0.00000 0.00000 41 5S 2.43850 0.00000 0.00000 4.35065 5.44057 42 5PX 0.25830 0.00000 0.00000 0.64260 0.72877 43 5PY -0.34631 0.00000 0.00000 -0.31838 -0.48435 44 5PZ 0.00000 -0.90676 0.26611 0.00000 0.00000 45 6D 0 -0.06952 0.00000 0.00000 -0.00921 -0.10647 46 6D+1 0.00000 -0.06319 0.06001 0.00000 0.00000 47 6D-1 0.00000 0.13631 -0.06573 0.00000 0.00000 48 6D+2 0.02810 0.00000 0.00000 -0.05176 0.01224 49 6D-2 0.01339 0.00000 0.00000 0.00649 0.03060 50 7D 0 0.79193 0.00000 0.00000 -0.68703 0.04110 51 7D+1 0.00000 0.19976 -0.15058 0.00000 0.00000 52 7D-1 0.00000 -0.36990 0.66739 0.00000 0.00000 53 7D+2 -0.10276 0.00000 0.00000 -0.16524 -0.35529 54 7D-2 0.56393 0.00000 0.00000 -0.29073 -0.20750 55 3 Cl 1S -0.00055 0.00000 0.00000 -0.00189 -0.00139 56 2S -0.00184 0.00000 0.00000 -0.00565 -0.00420 57 3S 0.00594 0.00000 0.00000 0.01363 0.01047 58 4S 0.00101 0.00000 0.00000 0.02433 0.01753 59 5S -0.00306 0.00000 0.00000 -0.09131 -0.12482 60 6S -0.00053 0.00000 0.00000 -0.08364 0.39652 61 7S -1.32694 0.00000 0.00000 -1.26163 -1.27087 62 7PX -0.40863 0.00000 0.00000 0.05019 -0.24531 63 7PY -0.12063 0.00000 0.00000 -0.51556 -0.31146 64 7PZ 0.00000 0.23597 -0.21733 0.00000 0.00000 65 8PX -0.09578 0.00000 0.00000 0.24031 -0.05034 66 8PY 0.09174 0.00000 0.00000 -0.16984 -0.00261 67 8PZ 0.00000 -0.05070 -0.17567 0.00000 0.00000 68 9PX 0.02397 0.00000 0.00000 -0.06209 0.01153 69 9PY -0.02424 0.00000 0.00000 0.04114 0.00050 70 9PZ 0.00000 0.01252 0.04390 0.00000 0.00000 71 10PX 0.35373 0.00000 0.00000 -0.90630 0.19789 72 10PY -0.33568 0.00000 0.00000 0.66825 0.00256 73 10PZ 0.00000 0.19132 0.67190 0.00000 0.00000 74 11PX -0.32670 0.00000 0.00000 0.84680 -0.19862 75 11PY 0.30617 0.00000 0.00000 -0.78971 0.05743 76 11PZ 0.00000 -0.18781 -0.69051 0.00000 0.00000 77 12PX 0.17419 0.00000 0.00000 -0.63280 0.23010 78 12PY -0.33567 0.00000 0.00000 0.36938 0.15782 79 12PZ 0.00000 0.01095 0.32450 0.00000 0.00000 80 13D 0 -0.13114 0.00000 0.00000 0.08610 0.03743 81 13D+1 0.00000 -0.05435 0.00789 0.00000 0.00000 82 13D-1 0.00000 0.01700 -0.05283 0.00000 0.00000 83 13D+2 0.10286 0.00000 0.00000 0.01443 0.09511 84 13D-2 -0.05233 0.00000 0.00000 0.11104 -0.01321 85 14D 0 0.04424 0.00000 0.00000 0.01530 -0.01629 86 14D+1 0.00000 0.00635 0.02079 0.00000 0.00000 87 14D-1 0.00000 -0.02692 0.05229 0.00000 0.00000 88 14D+2 0.04441 0.00000 0.00000 -0.05008 -0.08705 89 14D-2 0.02624 0.00000 0.00000 -0.14371 -0.01768 90 4 H 1S -0.14241 0.45084 -0.27144 -0.12805 -0.56811 91 2S -0.10027 -0.15256 -0.52792 0.59278 0.50485 92 3S -0.39652 1.13059 -0.85425 -0.49541 -1.53461 93 4PX -0.42034 0.24623 -0.22818 0.21713 -0.05256 94 4PY 0.47602 -0.24880 0.20047 -0.29601 -0.04464 95 4PZ -0.18050 -0.39807 0.34393 0.20132 0.58287 96 5 H 1S -0.14241 -0.45084 0.27144 -0.12805 -0.56811 97 2S -0.10027 0.15256 0.52792 0.59278 0.50485 98 3S -0.39652 -1.13059 0.85425 -0.49541 -1.53461 99 4PX -0.42034 -0.24623 0.22818 0.21713 -0.05256 100 4PY 0.47602 0.24880 -0.20047 -0.29601 -0.04464 101 4PZ 0.18050 -0.39807 0.34393 -0.20132 -0.58287 102 6 H 1S 0.40331 0.00000 0.00000 0.54295 -0.24468 103 2S -0.08082 0.00000 0.00000 0.65541 0.46699 104 3S 1.10123 0.00000 0.00000 1.09348 -0.47872 105 4PX -0.38999 0.00000 0.00000 -0.20266 -0.32359 106 4PY -0.36904 0.00000 0.00000 -0.73613 0.21507 107 4PZ 0.00000 0.25090 -0.20055 0.00000 0.00000 108 7 H 1S -0.33675 -0.39350 -0.38815 -0.06362 -0.08592 109 2S 0.28685 -0.01924 -0.63581 -0.68632 -0.13919 110 3S -0.89001 -0.73690 -0.74699 -0.08563 -0.09561 111 4PX 0.26270 0.35021 0.03998 -0.03831 0.09061 112 4PY -0.06820 -0.08132 -0.41201 -0.12272 -0.37526 113 4PZ 0.11011 0.35604 0.52045 0.33024 -0.15438 114 8 H 1S -0.33675 0.39350 0.38815 -0.06362 -0.08592 115 2S 0.28685 0.01924 0.63581 -0.68632 -0.13919 116 3S -0.89001 0.73690 0.74699 -0.08563 -0.09561 117 4PX 0.26270 -0.35021 -0.03998 -0.03831 0.09061 118 4PY -0.06820 0.08132 0.41201 -0.12272 -0.37526 119 4PZ -0.11011 0.35604 0.52045 -0.33024 0.15438 81 82 83 84 85 V V V V V Eigenvalues -- 2.31035 2.34780 2.35077 2.36940 2.37625 1 1 C 1S -0.05206 -0.02527 0.00000 0.00000 -0.01000 2 2S -0.10618 -0.05008 0.00000 0.00000 -0.02260 3 2PX 0.31608 0.05758 0.00000 0.00000 0.05456 4 2PY -0.04039 -0.07489 0.00000 0.00000 0.04811 5 2PZ 0.00000 0.00000 0.08718 0.02688 0.00000 6 3S 0.65439 0.29012 0.00000 0.00000 0.14638 7 3PX 0.01810 0.07959 0.00000 0.00000 -0.03087 8 3PY 0.02876 -0.56243 0.00000 0.00000 0.42391 9 3PZ 0.00000 0.00000 0.69477 -0.27344 0.00000 10 4S -0.25082 -0.38087 0.00000 0.00000 0.29318 11 4PX 1.55780 0.50812 0.00000 0.00000 0.13391 12 4PY 0.00352 -0.96187 0.00000 0.00000 -0.15940 13 4PZ 0.00000 0.00000 0.81494 -0.72961 0.00000 14 5S 6.19415 2.81721 0.00000 0.00000 0.38335 15 5PX -1.48330 -0.64080 0.00000 0.00000 -0.07368 16 5PY -0.06706 0.21509 0.00000 0.00000 0.28847 17 5PZ 0.00000 0.00000 -0.15019 0.16566 0.00000 18 6D 0 -0.06397 -0.01093 0.00000 0.00000 0.04381 19 6D+1 0.00000 0.00000 -0.06248 0.03902 0.00000 20 6D-1 0.00000 0.00000 0.01988 0.04027 0.00000 21 6D+2 0.07596 0.01871 0.00000 0.00000 0.02978 22 6D-2 0.00860 0.05191 0.00000 0.00000 -0.06949 23 7D 0 0.05079 1.12183 0.00000 0.00000 -0.25298 24 7D+1 0.00000 0.00000 0.16719 0.67018 0.00000 25 7D-1 0.00000 0.00000 -1.26702 0.93053 0.00000 26 7D+2 -0.70457 0.42691 0.00000 0.00000 -0.05394 27 7D-2 -0.22441 -0.14355 0.00000 0.00000 1.06124 28 2 C 1S 0.00593 0.03231 0.00000 0.00000 -0.00471 29 2S 0.01173 0.06669 0.00000 0.00000 -0.02226 30 2PX -0.10496 0.16845 0.00000 0.00000 0.08046 31 2PY -0.15718 0.10444 0.00000 0.00000 0.20037 32 2PZ 0.00000 0.00000 0.09428 0.07885 0.00000 33 3S -0.08105 -0.44048 0.00000 0.00000 0.29666 34 3PX 0.34156 0.07946 0.00000 0.00000 -0.09713 35 3PY 0.02259 -0.34799 0.00000 0.00000 -0.04707 36 3PZ 0.00000 0.00000 0.54480 -0.58383 0.00000 37 4S 1.55478 0.40766 0.00000 0.00000 0.32899 38 4PX 0.61613 0.65618 0.00000 0.00000 0.11557 39 4PY -0.53240 -0.31108 0.00000 0.00000 1.17024 40 4PZ 0.00000 0.00000 0.88032 -0.01417 0.00000 41 5S -5.72501 -2.66959 0.00000 0.00000 0.90595 42 5PX -1.03921 -0.64442 0.00000 0.00000 -0.47280 43 5PY 0.45583 -0.18718 0.00000 0.00000 -0.71671 44 5PZ 0.00000 0.00000 -0.22103 -0.04680 0.00000 45 6D 0 0.00236 0.05814 0.00000 0.00000 0.01804 46 6D+1 0.00000 0.00000 0.07736 -0.10285 0.00000 47 6D-1 0.00000 0.00000 -0.00841 0.05123 0.00000 48 6D+2 0.03570 -0.03514 0.00000 0.00000 0.03867 49 6D-2 -0.01341 -0.07439 0.00000 0.00000 0.07831 50 7D 0 -0.12833 -0.82369 0.00000 0.00000 0.76896 51 7D+1 0.00000 0.00000 -0.28660 0.78974 0.00000 52 7D-1 0.00000 0.00000 1.10240 -0.65653 0.00000 53 7D+2 0.06157 -0.17107 0.00000 0.00000 0.34577 54 7D-2 -0.16569 0.32337 0.00000 0.00000 0.47709 55 3 Cl 1S -0.00010 -0.00202 0.00000 0.00000 0.00007 56 2S -0.00019 -0.00598 0.00000 0.00000 0.00019 57 3S -0.00055 0.01421 0.00000 0.00000 -0.00018 58 4S 0.00532 0.02645 0.00000 0.00000 -0.00104 59 5S -0.01311 -0.03809 0.00000 0.00000 -0.06220 60 6S -0.18623 -0.34573 0.00000 0.00000 0.62188 61 7S 0.64969 -0.18022 0.00000 0.00000 -1.20757 62 7PX -0.02318 -0.02839 0.00000 0.00000 0.44684 63 7PY 0.12185 0.25342 0.00000 0.00000 -0.34206 64 7PZ 0.00000 0.00000 0.56299 0.03851 0.00000 65 8PX -0.00165 -0.00425 0.00000 0.00000 0.40079 66 8PY -0.12083 0.21905 0.00000 0.00000 0.01418 67 8PZ 0.00000 0.00000 0.36235 0.04288 0.00000 68 9PX 0.00049 -0.00165 0.00000 0.00000 -0.09874 69 9PY 0.03111 -0.05838 0.00000 0.00000 -0.00418 70 9PZ 0.00000 0.00000 -0.08956 -0.01094 0.00000 71 10PX 0.01182 0.04496 0.00000 0.00000 -1.62907 72 10PY 0.47524 -0.82788 0.00000 0.00000 -0.06902 73 10PZ 0.00000 0.00000 -1.45185 -0.16730 0.00000 74 11PX -0.06188 -0.20418 0.00000 0.00000 1.98873 75 11PY -0.54699 0.68059 0.00000 0.00000 0.19896 76 11PZ 0.00000 0.00000 1.66388 0.16739 0.00000 77 12PX 0.02233 -0.12424 0.00000 0.00000 -1.03288 78 12PY 0.24268 -0.74950 0.00000 0.00000 0.09450 79 12PZ 0.00000 0.00000 -1.06130 -0.10062 0.00000 80 13D 0 -0.13910 0.12008 0.00000 0.00000 -0.09248 81 13D+1 0.00000 0.00000 -0.17485 -0.63936 0.00000 82 13D-1 0.00000 0.00000 0.26027 0.52573 0.00000 83 13D+2 0.23378 -0.26411 0.00000 0.00000 0.07408 84 13D-2 -0.03686 0.41780 0.00000 0.00000 0.09009 85 14D 0 0.06576 0.05051 0.00000 0.00000 0.00888 86 14D+1 0.00000 0.00000 0.17564 0.37309 0.00000 87 14D-1 0.00000 0.00000 -0.07418 -0.33867 0.00000 88 14D+2 -0.15067 0.23789 0.00000 0.00000 0.04319 89 14D-2 0.02148 -0.42447 0.00000 0.00000 0.05898 90 4 H 1S 0.02144 0.27194 0.00132 0.00887 0.11340 91 2S -0.02908 0.31083 -1.26357 0.92417 -0.57628 92 3S 0.32366 0.57218 0.08500 -0.07443 -0.19198 93 4PX 0.17184 0.11303 -0.32850 0.00682 -0.26140 94 4PY -0.00960 -0.43824 -0.00959 -0.20960 0.34927 95 4PZ -0.07065 -0.19118 0.39394 -0.35375 -0.12265 96 5 H 1S 0.02144 0.27194 -0.00132 -0.00887 0.11340 97 2S -0.02908 0.31083 1.26357 -0.92417 -0.57628 98 3S 0.32366 0.57218 -0.08500 0.07443 -0.19198 99 4PX 0.17184 0.11303 0.32850 -0.00682 -0.26140 100 4PY -0.00960 -0.43824 0.00959 0.20960 0.34927 101 4PZ 0.07065 0.19118 0.39394 -0.35375 0.12265 102 6 H 1S -0.50732 -0.25339 0.00000 0.00000 -0.15171 103 2S 0.30919 1.62384 0.00000 0.00000 -0.79435 104 3S -1.12180 -0.47744 0.00000 0.00000 -0.15728 105 4PX 0.30963 -0.36383 0.00000 0.00000 -0.07452 106 4PY 0.36403 -0.17106 0.00000 0.00000 0.57931 107 4PZ 0.00000 0.00000 0.39543 -0.58897 0.00000 108 7 H 1S -0.61374 -0.17151 0.08554 -0.10333 -0.01100 109 2S 0.58116 -0.59129 -1.49787 0.78565 0.37362 110 3S -1.38728 -0.43008 0.12850 -0.16854 -0.16995 111 4PX 0.02119 0.23004 0.36835 -0.46298 0.04888 112 4PY -0.03058 -0.56055 -0.07644 -0.24121 -0.09582 113 4PZ 0.53903 0.14106 0.47800 -0.12581 -0.22945 114 8 H 1S -0.61374 -0.17151 -0.08554 0.10333 -0.01100 115 2S 0.58116 -0.59129 1.49787 -0.78565 0.37362 116 3S -1.38728 -0.43008 -0.12850 0.16854 -0.16995 117 4PX 0.02119 0.23004 -0.36835 0.46298 0.04888 118 4PY -0.03058 -0.56055 0.07644 0.24121 -0.09582 119 4PZ -0.53903 -0.14106 0.47800 -0.12581 0.22945 86 87 88 89 90 V V V V V Eigenvalues -- 2.40193 2.41437 2.44607 2.51529 2.53492 1 1 C 1S 0.00000 0.00365 -0.01502 -0.02678 0.00000 2 2S 0.00000 0.00886 -0.03674 -0.06145 0.00000 3 2PX 0.00000 -0.04944 0.08788 0.04771 0.00000 4 2PY 0.00000 0.01947 0.01906 -0.17619 0.00000 5 2PZ 0.01826 0.00000 0.00000 0.00000 -0.19380 6 3S 0.00000 -0.19182 0.35192 0.48116 0.00000 7 3PX 0.00000 0.12652 -0.10240 0.11193 0.00000 8 3PY 0.00000 0.03492 0.35778 -0.16738 0.00000 9 3PZ -0.19880 0.00000 0.00000 0.00000 0.65340 10 4S 0.00000 0.80350 -0.04521 0.70355 0.00000 11 4PX 0.00000 -0.41450 0.49129 0.42977 0.00000 12 4PY 0.00000 0.18857 0.99791 -0.05133 0.00000 13 4PZ -0.63737 0.00000 0.00000 0.00000 -0.02391 14 5S 0.00000 0.33953 -1.22086 -0.48158 0.00000 15 5PX 0.00000 -0.05289 0.32734 0.08165 0.00000 16 5PY 0.00000 0.00012 -0.15181 0.14009 0.00000 17 5PZ 0.12957 0.00000 0.00000 0.00000 0.02482 18 6D 0 0.00000 -0.01110 -0.03755 0.02092 0.00000 19 6D+1 -0.01919 0.00000 0.00000 0.00000 -0.09866 20 6D-1 0.04570 0.00000 0.00000 0.00000 0.02888 21 6D+2 0.00000 0.01529 -0.00878 -0.01496 0.00000 22 6D-2 0.00000 0.02931 -0.05714 -0.09361 0.00000 23 7D 0 0.00000 -0.36806 -0.91502 0.05123 0.00000 24 7D+1 0.93712 0.00000 0.00000 0.00000 1.11395 25 7D-1 0.32255 0.00000 0.00000 0.00000 -0.01331 26 7D+2 0.00000 -0.18957 -0.71791 -0.10744 0.00000 27 7D-2 0.00000 -0.58628 -0.45387 0.16871 0.00000 28 2 C 1S 0.00000 -0.00667 -0.02538 -0.00406 0.00000 29 2S 0.00000 -0.02309 -0.06851 -0.00680 0.00000 30 2PX 0.00000 0.05300 -0.04402 -0.14241 0.00000 31 2PY 0.00000 0.25361 0.16891 0.01665 0.00000 32 2PZ 0.04799 0.00000 0.00000 0.00000 -0.21693 33 3S 0.00000 0.31778 0.62694 0.06005 0.00000 34 3PX 0.00000 -0.19323 -0.18738 0.28389 0.00000 35 3PY 0.00000 -0.20928 0.12031 -0.03347 0.00000 36 3PZ -0.59128 0.00000 0.00000 0.00000 0.62634 37 4S 0.00000 -0.72985 0.63634 0.33225 0.00000 38 4PX 0.00000 -0.25170 0.10109 -0.60413 0.00000 39 4PY 0.00000 0.58621 0.57555 0.42250 0.00000 40 4PZ 0.40246 0.00000 0.00000 0.00000 -0.06798 41 5S 0.00000 0.41677 1.94654 1.09738 0.00000 42 5PX 0.00000 -0.29371 0.34077 0.25662 0.00000 43 5PY 0.00000 -0.36391 -0.27483 -0.16559 0.00000 44 5PZ 0.09134 0.00000 0.00000 0.00000 -0.38911 45 6D 0 0.00000 -0.02323 -0.05478 0.04909 0.00000 46 6D+1 -0.01495 0.00000 0.00000 0.00000 0.03958 47 6D-1 0.07669 0.00000 0.00000 0.00000 0.05287 48 6D+2 0.00000 -0.00346 0.02842 -0.02299 0.00000 49 6D-2 0.00000 0.05147 0.09538 0.04350 0.00000 50 7D 0 0.00000 0.03072 0.95754 0.33184 0.00000 51 7D+1 1.10068 0.00000 0.00000 0.00000 0.82911 52 7D-1 -0.47206 0.00000 0.00000 0.00000 0.24308 53 7D+2 0.00000 0.11349 0.04598 0.31346 0.00000 54 7D-2 0.00000 -0.76686 -0.94325 0.23547 0.00000 55 3 Cl 1S 0.00000 -0.00035 0.00076 0.00024 0.00000 56 2S 0.00000 -0.00102 0.00226 0.00068 0.00000 57 3S 0.00000 0.00223 -0.00549 -0.00147 0.00000 58 4S 0.00000 0.00707 -0.00792 -0.00357 0.00000 59 5S 0.00000 -0.13377 -0.10724 -0.00450 0.00000 60 6S 0.00000 0.76147 0.82817 0.08566 0.00000 61 7S 0.00000 -0.83874 -0.48086 -0.22340 0.00000 62 7PX 0.00000 -0.05770 -0.08927 -0.06991 0.00000 63 7PY 0.00000 0.03508 0.02624 -0.06068 0.00000 64 7PZ 0.17706 0.00000 0.00000 0.00000 0.15935 65 8PX 0.00000 0.06414 0.02399 0.03746 0.00000 66 8PY 0.00000 0.25110 0.15265 -0.02957 0.00000 67 8PZ 0.17373 0.00000 0.00000 0.00000 0.08447 68 9PX 0.00000 -0.01662 -0.00522 -0.00897 0.00000 69 9PY 0.00000 -0.06238 -0.03571 0.00816 0.00000 70 9PZ -0.04316 0.00000 0.00000 0.00000 -0.02195 71 10PX 0.00000 -0.26781 -0.11780 -0.16570 0.00000 72 10PY 0.00000 -1.04443 -0.67619 0.11566 0.00000 73 10PZ -0.70025 0.00000 0.00000 0.00000 -0.35377 74 11PX 0.00000 0.39091 0.27814 0.22999 0.00000 75 11PY 0.00000 1.41670 1.13108 -0.09122 0.00000 76 11PZ 0.79908 0.00000 0.00000 0.00000 0.41943 77 12PX 0.00000 -0.06248 0.12393 0.20963 0.00000 78 12PY 0.00000 -0.52009 -0.11888 0.00997 0.00000 79 12PZ -0.51295 0.00000 0.00000 0.00000 -0.05837 80 13D 0 0.00000 -0.74139 0.58285 0.13626 0.00000 81 13D+1 0.78749 0.00000 0.00000 0.00000 -0.21334 82 13D-1 0.09882 0.00000 0.00000 0.00000 -0.76276 83 13D+2 0.00000 -0.11180 -0.16793 -0.79190 0.00000 84 13D-2 0.00000 -0.17980 0.37668 -0.57863 0.00000 85 14D 0 0.00000 0.44809 -0.57270 -0.13852 0.00000 86 14D+1 -0.55139 0.00000 0.00000 0.00000 0.19328 87 14D-1 -0.02133 0.00000 0.00000 0.00000 0.69743 88 14D+2 0.00000 -0.03674 -0.06292 0.68226 0.00000 89 14D-2 0.00000 0.18904 -0.12238 0.55007 0.00000 90 4 H 1S -0.07131 -0.00480 -0.08646 -0.10799 0.39234 91 2S 1.01473 -0.16034 -0.83709 -0.02472 -0.62401 92 3S -0.44852 -0.16033 -0.29344 -0.37354 0.61482 93 4PX -0.13760 0.11313 -0.19934 0.01021 -0.34660 94 4PY -0.29083 -0.12506 0.28918 0.18471 -0.07970 95 4PZ -0.39284 0.29180 0.30909 -0.09272 0.08650 96 5 H 1S 0.07131 -0.00480 -0.08646 -0.10799 -0.39234 97 2S -1.01473 -0.16034 -0.83709 -0.02472 0.62401 98 3S 0.44852 -0.16033 -0.29344 -0.37354 -0.61482 99 4PX 0.13760 0.11313 -0.19934 0.01021 0.34660 100 4PY 0.29083 -0.12506 0.28918 0.18471 0.07970 101 4PZ -0.39284 -0.29180 -0.30909 0.09272 0.08650 102 6 H 1S 0.00000 0.11378 0.14330 -0.25269 0.00000 103 2S 0.00000 -0.27190 -1.29831 0.11104 0.00000 104 3S 0.00000 0.10213 -0.03173 -0.45052 0.00000 105 4PX 0.00000 0.29505 0.59762 -0.10378 0.00000 106 4PY 0.00000 -0.12192 0.13830 0.07178 0.00000 107 4PZ -0.32616 0.00000 0.00000 0.00000 -0.44529 108 7 H 1S -0.30102 -0.03724 -0.10225 0.15532 0.14612 109 2S 0.50833 0.01145 0.56289 -0.52035 -0.91994 110 3S -0.17456 -0.05117 -0.19033 -0.06617 0.31210 111 4PX -0.38558 -0.18215 -0.25054 0.01893 -0.24733 112 4PY -0.17105 0.21764 0.38229 -0.20531 -0.38514 113 4PZ -0.01941 0.21275 0.29202 0.30784 0.25993 114 8 H 1S 0.30102 -0.03724 -0.10225 0.15532 -0.14612 115 2S -0.50833 0.01145 0.56289 -0.52035 0.91994 116 3S 0.17456 -0.05117 -0.19033 -0.06617 -0.31210 117 4PX 0.38558 -0.18215 -0.25054 0.01893 0.24733 118 4PY 0.17105 0.21764 0.38229 -0.20531 0.38514 119 4PZ -0.01941 -0.21275 -0.29202 -0.30784 0.25993 91 92 93 94 95 V V V V V Eigenvalues -- 2.62011 2.65313 2.66905 2.73016 2.75401 1 1 C 1S 0.00898 0.00000 0.01125 0.00000 0.01659 2 2S 0.01161 0.00000 0.03240 0.00000 0.01869 3 2PX 0.10718 0.00000 -0.04914 0.00000 0.44458 4 2PY 0.16470 0.00000 0.05760 0.00000 -0.19393 5 2PZ 0.00000 0.04885 0.00000 0.14365 0.00000 6 3S -0.02827 0.00000 -0.24651 0.00000 0.05878 7 3PX -0.18115 0.00000 -0.17174 0.00000 -0.55795 8 3PY -0.70456 0.00000 -1.23790 0.00000 0.07347 9 3PZ 0.00000 -1.24950 0.00000 0.28981 0.00000 10 4S 0.62182 0.00000 -1.04339 0.00000 -0.43425 11 4PX -0.32157 0.00000 -0.05709 0.00000 0.82262 12 4PY -0.48144 0.00000 -1.05744 0.00000 -0.45895 13 4PZ 0.00000 -0.73249 0.00000 1.18038 0.00000 14 5S -2.06452 0.00000 1.74320 0.00000 2.84787 15 5PX 0.44828 0.00000 -0.30432 0.00000 -0.91517 16 5PY 0.16805 0.00000 0.84243 0.00000 0.07819 17 5PZ 0.00000 0.59834 0.00000 -0.57855 0.00000 18 6D 0 -0.01055 0.00000 0.08165 0.00000 -0.05031 19 6D+1 0.00000 0.01831 0.00000 -0.04879 0.00000 20 6D-1 0.00000 0.04146 0.00000 -0.12913 0.00000 21 6D+2 0.03931 0.00000 0.01686 0.00000 0.12238 22 6D-2 0.04500 0.00000 0.06509 0.00000 -0.06587 23 7D 0 -0.06757 0.00000 0.22676 0.00000 0.33773 24 7D+1 0.00000 -0.51476 0.00000 0.01975 0.00000 25 7D-1 0.00000 0.20379 0.00000 -0.34665 0.00000 26 7D+2 -0.00851 0.00000 0.12234 0.00000 -0.09564 27 7D-2 -0.07539 0.00000 -0.66990 0.00000 0.14097 28 2 C 1S -0.00592 0.00000 -0.00124 0.00000 -0.02788 29 2S 0.00804 0.00000 -0.01245 0.00000 -0.08899 30 2PX -0.22682 0.00000 0.14992 0.00000 -0.42847 31 2PY -0.08730 0.00000 0.27973 0.00000 -0.21252 32 2PZ 0.00000 0.25554 0.00000 -0.12388 0.00000 33 3S -0.26086 0.00000 0.17194 0.00000 0.62874 34 3PX 0.28320 0.00000 -0.26180 0.00000 -0.00421 35 3PY -0.31129 0.00000 -0.09811 0.00000 0.92247 36 3PZ 0.00000 -0.37208 0.00000 -1.11196 0.00000 37 4S 0.23553 0.00000 0.00202 0.00000 3.26548 38 4PX -0.70758 0.00000 0.73780 0.00000 -0.62824 39 4PY -0.59172 0.00000 0.73944 0.00000 -0.02259 40 4PZ 0.00000 -0.21452 0.00000 -2.22759 0.00000 41 5S 3.41537 0.00000 -2.46353 0.00000 -3.03674 42 5PX 0.33184 0.00000 -0.66291 0.00000 -0.38990 43 5PY -0.30071 0.00000 -0.15286 0.00000 -0.10884 44 5PZ 0.00000 -0.19075 0.00000 1.01087 0.00000 45 6D 0 0.06247 0.00000 0.00599 0.00000 -0.06057 46 6D+1 0.00000 -0.02312 0.00000 0.06876 0.00000 47 6D-1 0.00000 0.07741 0.00000 -0.03657 0.00000 48 6D+2 0.12181 0.00000 -0.04313 0.00000 0.21397 49 6D-2 -0.15469 0.00000 -0.03275 0.00000 -0.02281 50 7D 0 0.12444 0.00000 0.21165 0.00000 0.23571 51 7D+1 0.00000 0.21852 0.00000 0.50611 0.00000 52 7D-1 0.00000 0.27496 0.00000 -0.48008 0.00000 53 7D+2 -0.17723 0.00000 0.18026 0.00000 -0.30275 54 7D-2 0.52345 0.00000 -0.24045 0.00000 -0.06143 55 3 Cl 1S 0.00433 0.00000 -0.00191 0.00000 0.00264 56 2S 0.01335 0.00000 -0.00592 0.00000 0.00803 57 3S -0.03539 0.00000 0.01599 0.00000 -0.02053 58 4S -0.05103 0.00000 0.02143 0.00000 -0.03477 59 5S 0.40287 0.00000 -0.19135 0.00000 0.28301 60 6S -0.94250 0.00000 0.69229 0.00000 -0.90112 61 7S -1.30036 0.00000 0.60137 0.00000 -0.18364 62 7PX -0.01428 0.00000 0.26097 0.00000 -0.14357 63 7PY -0.27812 0.00000 -0.04725 0.00000 0.07398 64 7PZ 0.00000 0.05714 0.00000 -0.32234 0.00000 65 8PX -0.00887 0.00000 0.03612 0.00000 -0.03550 66 8PY -0.08372 0.00000 0.04987 0.00000 -0.05344 67 8PZ 0.00000 0.08637 0.00000 0.02725 0.00000 68 9PX 0.00378 0.00000 -0.00956 0.00000 0.01045 69 9PY 0.02327 0.00000 -0.01440 0.00000 0.01470 70 9PZ 0.00000 -0.02210 0.00000 -0.00527 0.00000 71 10PX 0.03862 0.00000 -0.15903 0.00000 0.15684 72 10PY 0.36815 0.00000 -0.21822 0.00000 0.24076 73 10PZ 0.00000 -0.37157 0.00000 -0.12841 0.00000 74 11PX -0.04159 0.00000 0.24763 0.00000 -0.23903 75 11PY -0.52324 0.00000 0.33729 0.00000 -0.40022 76 11PZ 0.00000 0.45513 0.00000 0.19462 0.00000 77 12PX -0.50719 0.00000 -0.00873 0.00000 -0.09618 78 12PY -0.52351 0.00000 0.45049 0.00000 -0.45137 79 12PZ 0.00000 -0.01062 0.00000 0.40607 0.00000 80 13D 0 -0.37552 0.00000 0.20177 0.00000 -0.14139 81 13D+1 0.00000 -0.29592 0.00000 -0.15211 0.00000 82 13D-1 0.00000 -0.38246 0.00000 -0.31764 0.00000 83 13D+2 -0.26195 0.00000 0.38828 0.00000 -0.10801 84 13D-2 0.62280 0.00000 -0.21980 0.00000 0.13418 85 14D 0 0.39256 0.00000 -0.22384 0.00000 0.14500 86 14D+1 0.00000 0.31625 0.00000 0.17467 0.00000 87 14D-1 0.00000 0.43718 0.00000 0.43850 0.00000 88 14D+2 0.31967 0.00000 -0.40282 0.00000 0.13817 89 14D-2 -0.63004 0.00000 0.25174 0.00000 -0.15778 90 4 H 1S -0.44097 -0.15062 0.17465 -0.90243 0.73281 91 2S 0.93228 0.37625 -0.54468 3.13785 -2.44117 92 3S -0.69420 -0.08280 0.38102 -0.93802 0.64205 93 4PX -0.03849 -0.03963 -0.04344 0.28535 -0.17898 94 4PY 0.11796 -0.18311 0.12819 -0.54039 0.26317 95 4PZ -0.29622 0.05501 0.10681 -0.58327 0.68976 96 5 H 1S -0.44097 0.15062 0.17465 0.90243 0.73281 97 2S 0.93228 -0.37625 -0.54468 -3.13785 -2.44117 98 3S -0.69420 0.08280 0.38102 0.93802 0.64205 99 4PX -0.03849 0.03963 -0.04344 -0.28535 -0.17898 100 4PY 0.11796 0.18311 0.12819 0.54039 0.26317 101 4PZ 0.29622 0.05501 -0.10681 -0.58327 -0.68976 102 6 H 1S -0.40539 0.00000 -1.02117 0.00000 0.00205 103 2S 1.12478 0.00000 3.40850 0.00000 0.33597 104 3S -0.24617 0.00000 -1.27690 0.00000 -0.21307 105 4PX -0.21399 0.00000 -0.29973 0.00000 -0.09278 106 4PY -0.32129 0.00000 -1.00028 0.00000 -0.16224 107 4PZ 0.00000 0.34792 0.00000 0.04641 0.00000 108 7 H 1S 0.35718 -0.80450 0.32086 0.29867 0.19689 109 2S -0.84771 2.39346 -1.02041 -1.16492 -0.32764 110 3S 0.42989 -1.01451 0.58085 0.30180 -0.26295 111 4PX 0.06205 -0.18448 0.10761 0.12258 0.14338 112 4PY 0.13186 0.52302 0.11765 -0.13049 -0.08767 113 4PZ 0.23749 -0.52236 0.36491 0.26893 -0.06509 114 8 H 1S 0.35718 0.80450 0.32086 -0.29867 0.19689 115 2S -0.84771 -2.39346 -1.02041 1.16492 -0.32764 116 3S 0.42989 1.01451 0.58085 -0.30180 -0.26295 117 4PX 0.06205 0.18448 0.10761 -0.12258 0.14338 118 4PY 0.13186 -0.52302 0.11765 0.13049 -0.08767 119 4PZ -0.23749 -0.52236 -0.36491 0.26893 0.06509 96 97 98 99 100 V V V V V Eigenvalues -- 2.78403 3.12068 3.18919 3.20817 3.22838 1 1 C 1S 0.03871 0.05752 0.00038 0.00000 0.00000 2 2S 0.11996 0.13124 -0.00348 0.00000 0.00000 3 2PX -0.14879 0.58949 -0.33862 0.00000 0.00000 4 2PY -0.02882 -0.31662 -0.90337 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.41570 -0.99862 6 3S -0.87114 -0.98967 0.08130 0.00000 0.00000 7 3PX -0.53918 -1.00004 0.39765 0.00000 0.00000 8 3PY 0.21514 0.65006 1.72106 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.80645 1.94270 10 4S -3.74599 -1.57622 -0.05299 0.00000 0.00000 11 4PX 0.22571 0.05841 0.10662 0.00000 0.00000 12 4PY 0.24061 0.23324 0.09635 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.45324 0.28654 14 5S 4.06219 -0.97008 0.12730 0.00000 0.00000 15 5PX -0.81908 0.19659 -0.00330 0.00000 0.00000 16 5PY -0.00072 -0.17548 -0.03433 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.20981 -0.08985 18 6D 0 0.07983 0.12270 0.07151 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.02788 -0.55786 20 6D-1 0.00000 0.00000 0.00000 -0.29547 0.20228 21 6D+2 -0.20620 0.01996 0.28702 0.00000 0.00000 22 6D-2 -0.03734 -0.09259 -0.45186 0.00000 0.00000 23 7D 0 -0.25446 -0.27198 -0.55960 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.32568 0.62082 25 7D-1 0.00000 0.00000 0.00000 0.16543 -0.92320 26 7D+2 0.19017 0.12667 -0.53452 0.00000 0.00000 27 7D-2 0.09321 -0.01033 0.73746 0.00000 0.00000 28 2 C 1S -0.03287 0.04766 -0.01107 0.00000 0.00000 29 2S -0.06038 0.10385 -0.02483 0.00000 0.00000 30 2PX 0.31247 -0.66970 0.09110 0.00000 0.00000 31 2PY -0.15084 0.50875 -0.47258 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.98347 -0.32973 33 3S 0.16878 -0.76253 0.38890 0.00000 0.00000 34 3PX -0.63667 1.10854 0.00679 0.00000 0.00000 35 3PY 0.40710 -1.11524 0.83211 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 2.01827 0.86908 37 4S 2.57949 -1.13044 -0.56410 0.00000 0.00000 38 4PX 0.63717 0.08737 0.40661 0.00000 0.00000 39 4PY -0.28777 -0.07561 0.40188 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.85412 0.76611 41 5S -4.03036 1.79444 0.64548 0.00000 0.00000 42 5PX -0.89412 0.50577 -0.27071 0.00000 0.00000 43 5PY 0.18237 -0.11567 -0.25972 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -0.29699 0.02129 45 6D 0 0.08548 0.22899 -0.07214 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.43414 0.33025 47 6D-1 0.00000 0.00000 0.00000 -0.31309 0.06320 48 6D+2 -0.03508 0.06655 0.29272 0.00000 0.00000 49 6D-2 0.04199 -0.07895 -0.03991 0.00000 0.00000 50 7D 0 0.05520 -0.52592 0.49712 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 -0.39914 -1.04460 52 7D-1 0.00000 0.00000 0.00000 0.94262 0.62460 53 7D+2 0.16270 0.13815 -0.07613 0.00000 0.00000 54 7D-2 -0.11494 0.16012 -0.64516 0.00000 0.00000 55 3 Cl 1S 0.00108 -0.00313 0.00150 0.00000 0.00000 56 2S 0.00304 -0.00955 0.00563 0.00000 0.00000 57 3S -0.00553 0.02481 -0.02405 0.00000 0.00000 58 4S -0.02430 0.04087 0.02288 0.00000 0.00000 59 5S 0.16879 -0.25800 -0.23273 0.00000 0.00000 60 6S -0.45442 0.35807 1.08725 0.00000 0.00000 61 7S 0.27161 -0.28184 -0.76912 0.00000 0.00000 62 7PX 0.02026 -0.21473 0.01156 0.00000 0.00000 63 7PY 0.12350 0.00757 -0.22785 0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.07493 0.05855 65 8PX 0.00333 0.00760 0.03004 0.00000 0.00000 66 8PY -0.07326 0.05499 0.09242 0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 -0.01595 -0.01300 68 9PX -0.00140 -0.00316 -0.00526 0.00000 0.00000 69 9PY 0.01899 -0.01659 -0.01942 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00486 0.00349 71 10PX -0.00916 -0.02598 -0.16804 0.00000 0.00000 72 10PY 0.32350 -0.23858 -0.49374 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.06964 0.06276 74 11PX -0.02911 -0.01733 0.38624 0.00000 0.00000 75 11PY -0.40371 0.22787 0.96876 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 -0.06110 -0.07661 77 12PX -0.04363 0.22368 -0.15716 0.00000 0.00000 78 12PY -0.21888 0.08403 0.17144 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 -0.07262 -0.20011 80 13D 0 -0.06979 0.09222 0.02919 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 -0.03721 -0.02274 82 13D-1 0.00000 0.00000 0.00000 0.13519 0.16239 83 13D+2 -0.36357 0.08727 0.17814 0.00000 0.00000 84 13D-2 0.12550 -0.09953 0.03281 0.00000 0.00000 85 14D 0 0.08941 -0.08373 -0.20759 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.07368 0.03064 87 14D-1 0.00000 0.00000 0.00000 -0.16308 -0.26638 88 14D+2 0.42150 -0.08692 -0.46259 0.00000 0.00000 89 14D-2 -0.14027 0.09411 0.14079 0.00000 0.00000 90 4 H 1S 0.07318 -0.10099 -0.29345 -0.09461 -0.25587 91 2S -0.90267 1.42873 0.01313 -1.54854 -0.93781 92 3S 0.44508 -0.36275 -0.10574 0.35577 -0.06093 93 4PX 0.02133 0.19528 0.01553 -0.26927 0.13576 94 4PY 0.18954 -0.19720 -0.05129 0.18176 0.17813 95 4PZ 0.33878 -0.50204 0.11189 0.22865 0.22047 96 5 H 1S 0.07318 -0.10099 -0.29345 0.09461 0.25587 97 2S -0.90267 1.42873 0.01313 1.54854 0.93781 98 3S 0.44508 -0.36275 -0.10574 -0.35577 0.06093 99 4PX 0.02133 0.19528 0.01553 0.26927 -0.13576 100 4PY 0.18954 -0.19720 -0.05129 -0.18176 -0.17813 101 4PZ -0.33878 0.50204 -0.11189 0.22865 0.22047 102 6 H 1S -0.59291 -0.03863 -0.37809 0.00000 0.00000 103 2S 1.75553 0.48732 -1.08181 0.00000 0.00000 104 3S -0.48573 0.15027 0.27301 0.00000 0.00000 105 4PX -0.14421 -0.00393 0.04470 0.00000 0.00000 106 4PY -0.56082 -0.40112 0.25815 0.00000 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.09838 -0.06838 108 7 H 1S -0.65043 -0.21552 0.12488 -0.21892 -0.33807 109 2S 2.33570 1.47191 0.49585 0.73924 -1.01824 110 3S -0.57869 -0.24937 -0.16332 -0.26519 0.16773 111 4PX -0.13092 -0.20194 -0.10116 -0.26573 0.10072 112 4PY 0.33892 0.24410 0.01958 0.09989 -0.15646 113 4PZ -0.62055 -0.51667 -0.14841 -0.03561 0.19004 114 8 H 1S -0.65043 -0.21552 0.12488 0.21892 0.33807 115 2S 2.33570 1.47191 0.49585 -0.73924 1.01824 116 3S -0.57869 -0.24937 -0.16332 0.26519 -0.16773 117 4PX -0.13092 -0.20194 -0.10116 0.26573 -0.10072 118 4PY 0.33892 0.24410 0.01958 -0.09989 0.15646 119 4PZ 0.62055 0.51667 0.14841 -0.03561 0.19004 101 102 103 104 105 V V V V V Eigenvalues -- 3.27726 3.34244 3.39215 3.40563 3.43841 1 1 C 1S 0.02874 -0.00170 0.00000 -0.01336 0.00000 2 2S 0.05290 -0.00652 0.00000 -0.03413 0.00000 3 2PX 0.13970 -0.17948 0.00000 -0.30544 0.00000 4 2PY 0.47947 -0.14237 0.00000 -0.10077 0.00000 5 2PZ 0.00000 0.00000 0.33981 0.00000 -0.02810 6 3S -0.23355 0.17147 0.00000 0.35185 0.00000 7 3PX -0.84456 0.11528 0.00000 0.51264 0.00000 8 3PY -0.90348 0.37781 0.00000 0.06105 0.00000 9 3PZ 0.00000 0.00000 -0.77131 0.00000 0.13627 10 4S 0.27450 -0.13576 0.00000 -0.14109 0.00000 11 4PX -0.04817 0.33209 0.00000 0.44570 0.00000 12 4PY -0.14322 0.59330 0.00000 -0.64244 0.00000 13 4PZ 0.00000 0.00000 -0.62464 0.00000 1.22129 14 5S -0.19548 0.08375 0.00000 -0.23392 0.00000 15 5PX 0.11960 -0.02466 0.00000 -0.01123 0.00000 16 5PY 0.03768 -0.12299 0.00000 -0.04831 0.00000 17 5PZ 0.00000 0.00000 0.06369 0.00000 -0.03022 18 6D 0 -0.55884 0.43137 0.00000 -0.37960 0.00000 19 6D+1 0.00000 0.00000 -0.47476 0.00000 0.66960 20 6D-1 0.00000 0.00000 -0.59253 0.00000 0.47624 21 6D+2 0.38137 0.58651 0.00000 -0.01426 0.00000 22 6D-2 -0.00212 0.44076 0.00000 -0.50829 0.00000 23 7D 0 0.65283 -0.51800 0.00000 0.67891 0.00000 24 7D+1 0.00000 0.00000 -0.00788 0.00000 -0.89903 25 7D-1 0.00000 0.00000 1.19553 0.00000 -0.31849 26 7D+2 0.02405 -0.67228 0.00000 -0.08572 0.00000 27 7D-2 -0.19686 -0.16596 0.00000 0.14927 0.00000 28 2 C 1S 0.02609 -0.00779 0.00000 0.00071 0.00000 29 2S 0.04200 -0.01826 0.00000 -0.00061 0.00000 30 2PX 0.12029 0.12918 0.00000 0.30576 0.00000 31 2PY -0.14220 0.30162 0.00000 0.87839 0.00000 32 2PZ 0.00000 0.00000 0.39118 0.00000 -0.01344 33 3S -0.06228 0.03265 0.00000 -0.33950 0.00000 34 3PX 0.12693 -0.08989 0.00000 -0.29881 0.00000 35 3PY 0.01093 -0.49633 0.00000 -1.44775 0.00000 36 3PZ 0.00000 0.00000 -0.79849 0.00000 -0.05085 37 4S -1.17349 1.57335 0.00000 2.72281 0.00000 38 4PX -0.76215 -0.65443 0.00000 -0.27416 0.00000 39 4PY 0.07743 -0.50680 0.00000 -0.85314 0.00000 40 4PZ 0.00000 0.00000 0.29937 0.00000 -1.17010 41 5S 0.21645 0.06425 0.00000 0.07734 0.00000 42 5PX 0.18791 0.06817 0.00000 0.12648 0.00000 43 5PY 0.08620 0.02547 0.00000 0.10554 0.00000 44 5PZ 0.00000 0.00000 0.05725 0.00000 -0.06758 45 6D 0 -0.42444 -0.32891 0.00000 0.14193 0.00000 46 6D+1 0.00000 0.00000 0.46342 0.00000 0.69151 47 6D-1 0.00000 0.00000 0.62115 0.00000 0.47810 48 6D+2 0.62755 -0.00837 0.00000 0.21721 0.00000 49 6D-2 -0.02949 -0.59333 0.00000 -0.22442 0.00000 50 7D 0 0.24870 0.37563 0.00000 -0.77070 0.00000 51 7D+1 0.00000 0.00000 -0.09854 0.00000 -0.98322 52 7D-1 0.00000 0.00000 -1.11862 0.00000 -0.37213 53 7D+2 -0.71226 -0.06853 0.00000 -0.51539 0.00000 54 7D-2 0.29564 0.50940 0.00000 0.85283 0.00000 55 3 Cl 1S -0.00283 0.00056 0.00000 0.00017 0.00000 56 2S -0.00857 0.00132 0.00000 -0.00091 0.00000 57 3S 0.02169 0.00030 0.00000 0.01562 0.00000 58 4S 0.04075 -0.02635 0.00000 -0.06586 0.00000 59 5S -0.24849 0.27011 0.00000 0.67166 0.00000 60 6S 0.20772 -1.01952 0.00000 -2.43826 0.00000 61 7S 0.23149 -0.11260 0.00000 0.17236 0.00000 62 7PX -0.00450 -0.07433 0.00000 0.08113 0.00000 63 7PY 0.04782 0.09993 0.00000 0.16855 0.00000 64 7PZ 0.00000 0.00000 0.02019 0.00000 0.05948 65 8PX 0.04874 -0.01094 0.00000 -0.07917 0.00000 66 8PY 0.03766 -0.05702 0.00000 -0.15121 0.00000 67 8PZ 0.00000 0.00000 -0.02116 0.00000 -0.00424 68 9PX -0.01687 0.00163 0.00000 0.01907 0.00000 69 9PY -0.01129 0.01347 0.00000 0.03571 0.00000 70 9PZ 0.00000 0.00000 0.00420 0.00000 0.00005 71 10PX -0.21427 0.06944 0.00000 0.44163 0.00000 72 10PY -0.16805 0.31811 0.00000 0.85097 0.00000 73 10PZ 0.00000 0.00000 0.12297 0.00000 0.03040 74 11PX 0.17474 -0.19000 0.00000 -0.88414 0.00000 75 11PY 0.11544 -0.63747 0.00000 -1.74712 0.00000 76 11PZ 0.00000 0.00000 -0.25548 0.00000 -0.07031 77 12PX 0.11220 0.01943 0.00000 -0.34653 0.00000 78 12PY 0.06767 -0.43427 0.00000 -0.53943 0.00000 79 12PZ 0.00000 0.00000 -0.10548 0.00000 0.00747 80 13D 0 0.14486 0.01891 0.00000 -0.11269 0.00000 81 13D+1 0.00000 0.00000 0.00859 0.00000 -0.01512 82 13D-1 0.00000 0.00000 0.05437 0.00000 0.00367 83 13D+2 -0.07163 -0.15217 0.00000 -0.05662 0.00000 84 13D-2 -0.16767 0.00928 0.00000 0.13852 0.00000 85 14D 0 -0.18300 0.06874 0.00000 0.49657 0.00000 86 14D+1 0.00000 0.00000 -0.10892 0.00000 -0.00394 87 14D-1 0.00000 0.00000 -0.23800 0.00000 -0.09906 88 14D+2 0.08035 0.38862 0.00000 0.42254 0.00000 89 14D-2 0.16581 -0.12752 0.00000 -0.65957 0.00000 90 4 H 1S -0.09448 0.10188 0.21191 0.24691 -0.09495 91 2S 0.46468 -0.42593 0.46278 -0.01117 0.28017 92 3S -0.11180 -0.05840 -0.23979 -0.14966 0.28490 93 4PX 0.12788 0.01997 0.13288 0.11192 0.18007 94 4PY -0.18606 0.22692 0.07441 0.08221 0.04703 95 4PZ -0.25077 -0.02519 -0.14319 -0.04599 0.04472 96 5 H 1S -0.09448 0.10188 -0.21191 0.24691 0.09495 97 2S 0.46468 -0.42593 -0.46278 -0.01117 -0.28017 98 3S -0.11180 -0.05840 0.23979 -0.14966 -0.28490 99 4PX 0.12788 0.01997 -0.13288 0.11192 -0.18007 100 4PY -0.18606 0.22692 -0.07441 0.08221 -0.04703 101 4PZ 0.25077 0.02519 -0.14319 0.04599 0.04472 102 6 H 1S 0.00445 0.08625 0.00000 0.08168 0.00000 103 2S 1.29849 -0.90461 0.00000 -0.00959 0.00000 104 3S -0.36783 0.08525 0.00000 0.23820 0.00000 105 4PX -0.32401 0.18482 0.00000 0.03126 0.00000 106 4PY -0.46287 0.06441 0.00000 0.07963 0.00000 107 4PZ 0.00000 0.00000 -0.13323 0.00000 -0.01478 108 7 H 1S -0.17500 -0.12050 0.11930 0.03010 0.10774 109 2S 0.20744 0.52644 0.96473 -0.62589 -0.38223 110 3S -0.06775 -0.18205 -0.12668 -0.06848 -0.18019 111 4PX -0.09379 -0.14348 -0.11824 0.03571 0.15225 112 4PY 0.14131 0.08529 0.02417 -0.13034 0.00763 113 4PZ -0.22609 -0.03616 -0.17536 0.10387 -0.04899 114 8 H 1S -0.17500 -0.12050 -0.11930 0.03010 -0.10774 115 2S 0.20744 0.52644 -0.96473 -0.62589 0.38223 116 3S -0.06775 -0.18205 0.12668 -0.06848 0.18019 117 4PX -0.09379 -0.14348 0.11824 0.03571 -0.15225 118 4PY 0.14131 0.08529 -0.02417 -0.13034 -0.00763 119 4PZ 0.22609 0.03616 -0.17536 -0.10387 -0.04899 106 107 108 109 110 V V V V V Eigenvalues -- 3.49855 3.53426 3.75983 4.18129 4.20151 1 1 C 1S -0.00565 -0.01803 -0.01173 0.00000 0.00052 2 2S -0.01347 -0.04399 -0.02660 0.00000 -0.00029 3 2PX 0.62357 0.50073 -0.08393 0.00000 -0.09709 4 2PY -0.09834 -0.17705 0.28248 0.00000 -0.73428 5 2PZ 0.00000 0.00000 0.00000 -0.06821 0.00000 6 3S -0.11335 0.12618 0.21621 0.00000 0.00071 7 3PX -1.36653 -1.22490 0.14712 0.00000 0.29829 8 3PY 0.22840 0.35746 -0.69562 0.00000 2.62365 9 3PZ 0.00000 0.00000 0.00000 0.38533 0.00000 10 4S 4.27505 4.88120 0.89903 0.00000 -0.03077 11 4PX -2.22255 -2.25032 -0.33909 0.00000 0.04724 12 4PY -0.45924 0.95369 -0.34375 0.00000 0.47428 13 4PZ 0.00000 0.00000 0.00000 -0.08212 0.00000 14 5S -3.33552 -2.73667 -0.03168 0.00000 -0.30478 15 5PX 0.99839 0.81941 0.02293 0.00000 0.06181 16 5PY -0.05044 -0.24815 0.02701 0.00000 -0.22964 17 5PZ 0.00000 0.00000 0.00000 0.05374 0.00000 18 6D 0 0.04609 0.42247 -0.02301 0.00000 -0.71574 19 6D+1 0.00000 0.00000 0.00000 0.15880 0.00000 20 6D-1 0.00000 0.00000 0.00000 -0.17731 0.00000 21 6D+2 -0.54238 -0.13725 -0.24414 0.00000 -0.37187 22 6D-2 -0.29305 0.25921 0.08452 0.00000 0.81849 23 7D 0 -0.57831 -0.67494 0.50983 0.00000 -0.46561 24 7D+1 0.00000 0.00000 0.00000 0.31859 0.00000 25 7D-1 0.00000 0.00000 0.00000 -0.25151 0.00000 26 7D+2 1.00709 0.69535 0.40383 0.00000 -0.26165 27 7D-2 0.50398 -0.72095 -0.12927 0.00000 0.17510 28 2 C 1S 0.01117 0.01237 -0.02947 0.00000 -0.00027 29 2S 0.02592 0.02856 -0.05580 0.00000 0.00159 30 2PX 0.35485 0.69948 -0.01192 0.00000 -0.03260 31 2PY -0.08821 0.15468 -0.31509 0.00000 0.11614 32 2PZ 0.00000 0.00000 0.00000 -0.69665 0.00000 33 3S 0.04139 -0.13157 0.47270 0.00000 -0.02328 34 3PX -1.03189 -1.62828 -0.14270 0.00000 0.07347 35 3PY 0.13849 -0.25867 0.97263 0.00000 -0.26250 36 3PZ 0.00000 0.00000 0.00000 2.61625 0.00000 37 4S -4.34341 -4.23873 -0.20789 0.00000 0.04398 38 4PX -2.21319 -2.36850 -0.52583 0.00000 -0.00074 39 4PY 1.36852 -1.07254 -0.23618 0.00000 -0.07532 40 4PZ 0.00000 0.00000 0.00000 0.69304 0.00000 41 5S 4.54441 1.84484 -0.06240 0.00000 0.46157 42 5PX 0.93301 1.00052 0.05424 0.00000 0.11761 43 5PY -0.56420 0.39325 0.02975 0.00000 0.01480 44 5PZ 0.00000 0.00000 0.00000 -0.26099 0.00000 45 6D 0 -0.60080 0.16090 0.71803 0.00000 -0.04876 46 6D+1 0.00000 0.00000 0.00000 -0.70050 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.90959 0.00000 48 6D+2 -0.20019 0.64410 0.37409 0.00000 0.03686 49 6D-2 -0.51815 0.36606 -0.79202 0.00000 -0.04575 50 7D 0 0.99586 0.01077 -0.39863 0.00000 0.06803 51 7D+1 0.00000 0.00000 0.00000 -0.23020 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.58519 0.00000 53 7D+2 -0.29743 -1.40581 -0.37886 0.00000 0.02322 54 7D-2 0.65586 -0.30745 0.58435 0.00000 -0.25107 55 3 Cl 1S -0.00022 0.00007 -0.00230 0.00000 -0.00028 56 2S -0.00051 -0.00035 -0.00628 0.00000 -0.00110 57 3S -0.00022 0.00617 0.01024 0.00000 0.00513 58 4S 0.01064 -0.02627 0.05793 0.00000 -0.00533 59 5S -0.12371 0.26374 -0.25486 0.00000 0.00096 60 6S 0.76533 -1.04240 -0.13439 0.00000 0.05590 61 7S -1.09587 0.74331 0.05144 0.00000 -0.12223 62 7PX -0.24937 0.03609 0.01309 0.00000 -0.07203 63 7PY -0.27974 0.19877 0.05790 0.00000 0.00050 64 7PZ 0.00000 0.00000 0.00000 0.07108 0.00000 65 8PX 0.03629 -0.04445 0.04324 0.00000 -0.00608 66 8PY 0.01953 -0.04407 0.06698 0.00000 0.00123 67 8PZ 0.00000 0.00000 0.00000 -0.01481 0.00000 68 9PX -0.00936 0.01029 -0.01317 0.00000 0.00123 69 9PY -0.00618 0.01016 -0.02009 0.00000 -0.00096 70 9PZ 0.00000 0.00000 0.00000 0.00476 0.00000 71 10PX -0.20142 0.26112 -0.20445 0.00000 0.03495 72 10PY -0.10753 0.25654 -0.30525 0.00000 -0.01028 73 10PZ 0.00000 0.00000 0.00000 0.08358 0.00000 74 11PX 0.42672 -0.54585 0.14661 0.00000 -0.04814 75 11PY 0.25716 -0.54890 0.14157 0.00000 0.05720 76 11PZ 0.00000 0.00000 0.00000 -0.12070 0.00000 77 12PX 0.12386 -0.04858 -0.03233 0.00000 0.05125 78 12PY 0.09103 -0.17292 -0.11587 0.00000 -0.00884 79 12PZ 0.00000 0.00000 0.00000 -0.07265 0.00000 80 13D 0 -0.01664 -0.01784 0.10381 0.00000 0.00723 81 13D+1 0.00000 0.00000 0.00000 0.01999 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.05140 0.00000 83 13D+2 -0.00656 0.00195 0.09075 0.00000 -0.00186 84 13D-2 -0.05443 0.02067 -0.18994 0.00000 0.01236 85 14D 0 -0.02217 0.15441 -0.12777 0.00000 -0.01693 86 14D+1 0.00000 0.00000 0.00000 -0.04173 0.00000 87 14D-1 0.00000 0.00000 0.00000 -0.13117 0.00000 88 14D+2 0.08364 -0.01661 -0.08867 0.00000 -0.02928 89 14D-2 0.18321 -0.30708 0.26933 0.00000 -0.02826 90 4 H 1S -0.11685 -0.13753 -0.01995 -0.26407 0.00872 91 2S 0.00987 0.38706 -0.38721 -1.89276 0.00459 92 3S -0.37626 0.09683 0.05672 0.39268 -0.05070 93 4PX -0.00317 0.16624 -0.19652 -0.47392 0.04149 94 4PY 0.00312 -0.01446 0.14328 0.59043 0.00792 95 4PZ -0.07340 0.02513 0.46123 0.88290 -0.02565 96 5 H 1S -0.11685 -0.13753 -0.01995 0.26407 0.00872 97 2S 0.00987 0.38706 -0.38721 1.89276 0.00459 98 3S -0.37626 0.09683 0.05672 -0.39268 -0.05070 99 4PX -0.00317 0.16624 -0.19652 0.47392 0.04149 100 4PY 0.00312 -0.01446 0.14328 -0.59043 0.00792 101 4PZ 0.07340 -0.02513 -0.46123 0.88290 0.02565 102 6 H 1S 0.04739 0.22597 0.20184 0.00000 -0.31385 103 2S -0.18930 -0.62542 0.34408 0.00000 -2.02299 104 3S 0.25990 0.05039 -0.02286 0.00000 0.46786 105 4PX 0.00830 0.23290 -0.06491 0.00000 0.65441 106 4PY 0.08757 -0.00117 0.01990 0.00000 1.17044 107 4PZ 0.00000 0.00000 0.00000 0.00106 0.00000 108 7 H 1S 0.15934 0.17924 -0.06742 -0.06858 0.14887 109 2S -0.02950 -0.35651 -0.53607 -0.41111 0.98500 110 3S -0.07531 0.21423 0.01128 0.08758 -0.23470 111 4PX 0.09817 0.04837 0.07888 0.02648 -0.27537 112 4PY 0.04653 -0.06903 -0.16182 -0.11789 0.20023 113 4PZ -0.04443 0.09695 0.11932 0.20497 -0.55884 114 8 H 1S 0.15934 0.17924 -0.06742 0.06858 0.14887 115 2S -0.02950 -0.35651 -0.53607 0.41111 0.98500 116 3S -0.07531 0.21423 0.01128 -0.08758 -0.23470 117 4PX 0.09817 0.04837 0.07888 -0.02648 -0.27537 118 4PY 0.04653 -0.06903 -0.16182 0.11789 0.20023 119 4PZ 0.04443 -0.09695 -0.11932 0.20497 0.55884 111 112 113 114 115 V V V V V Eigenvalues -- 4.21418 4.43046 9.76124 23.81600 23.96551 1 1 C 1S 0.00000 0.00223 0.00022 0.41470 -1.99607 2 2S 0.00000 -0.01949 0.00073 -0.45299 2.19684 3 2PX 0.00000 -0.74745 0.01403 0.03897 0.02978 4 2PY 0.00000 0.13102 0.01663 -0.00037 -0.00158 5 2PZ -0.74779 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.33145 -0.00324 0.10419 -0.78814 7 3PX 0.00000 2.05542 -0.06200 -0.06175 -0.14047 8 3PY 0.00000 -0.44722 -0.07468 -0.02218 0.00608 9 3PZ 2.65094 0.00000 0.00000 0.00000 0.00000 10 4S 0.00000 -1.20561 -0.03507 -0.17540 0.04076 11 4PX 0.00000 0.58004 -0.02725 -0.01621 -0.10412 12 4PY 0.00000 -0.24405 -0.11035 -0.03367 -0.00238 13 4PZ 0.53003 0.00000 0.00000 0.00000 0.00000 14 5S 0.00000 -0.14622 1.00891 -0.15725 0.54259 15 5PX 0.00000 -0.03761 -0.25847 0.02959 -0.06786 16 5PY 0.00000 0.03691 0.05919 -0.02123 0.00251 17 5PZ -0.21946 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.40786 -0.01601 -0.00282 -0.01002 19 6D+1 0.68235 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.89952 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 -0.60902 -0.00589 -0.00211 0.01300 22 6D-2 0.00000 0.02473 0.00792 0.00102 -0.00127 23 7D 0 0.00000 0.39496 0.09883 0.01737 -0.04377 24 7D+1 -0.01082 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.47935 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 -0.31547 0.08095 0.10120 0.10834 27 7D-2 0.00000 0.01997 -0.06254 -0.05246 -0.02294 28 2 C 1S 0.00000 -0.00648 0.00433 -1.99231 -0.41485 29 2S 0.00000 0.01334 0.00120 2.18388 0.45816 30 2PX 0.00000 -0.70793 0.00102 0.00277 -0.04272 31 2PY 0.00000 0.17768 0.02325 0.03658 0.01520 32 2PZ 0.22966 0.00000 0.00000 0.00000 0.00000 33 3S 0.00000 -0.28683 0.04524 -0.74793 -0.21796 34 3PX 0.00000 1.96168 0.03783 0.04521 0.07974 35 3PY 0.00000 -0.65639 -0.02915 -0.20139 -0.07973 36 3PZ -0.69140 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 1.15943 -0.75658 0.32057 -0.09585 38 4PX 0.00000 0.67060 0.19157 0.04470 0.09280 39 4PY 0.00000 -0.11283 0.31477 -0.22147 -0.04507 40 4PZ -0.26496 0.00000 0.00000 0.00000 0.00000 41 5S 0.00000 0.26632 0.58127 0.34307 -0.39694 42 5PX 0.00000 -0.08902 -0.55503 -0.01170 -0.12187 43 5PY 0.00000 -0.02375 -0.49076 0.03068 0.03811 44 5PZ 0.14176 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00000 -0.48564 0.00965 -0.01990 -0.00727 46 6D+1 0.09792 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.16458 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.55322 0.00959 0.00210 -0.00557 49 6D-2 0.00000 0.06304 -0.01351 0.02015 0.01121 50 7D 0 0.00000 -0.41290 -0.04851 -0.16540 -0.10505 51 7D+1 -0.29878 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.01922 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.33830 -0.00246 -0.03755 0.08691 54 7D-2 0.00000 0.06290 0.00745 0.10447 0.00820 55 3 Cl 1S 0.00000 0.00015 0.11837 0.00029 0.00005 56 2S 0.00000 0.00068 0.48097 0.00100 0.00019 57 3S 0.00000 -0.00392 -2.67460 -0.00764 -0.00156 58 4S 0.00000 0.00716 3.18960 0.01305 0.00340 59 5S 0.00000 -0.02875 -2.05777 0.01300 -0.01195 60 6S 0.00000 -0.00078 1.71813 -0.20494 0.02866 61 7S 0.00000 -0.14813 -1.71810 -0.10840 0.02750 62 7PX 0.00000 0.00108 -0.30738 0.01223 0.01106 63 7PY 0.00000 -0.03397 -0.64721 -0.01740 0.00094 64 7PZ -0.02685 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00000 -0.00905 -0.00077 -0.00360 -0.01713 66 8PY 0.00000 0.01068 -0.00063 -0.08326 -0.06154 67 8PZ 0.00124 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00414 -0.00508 -0.00234 -0.01422 69 9PY 0.00000 -0.00274 -0.00849 -0.06786 -0.05079 70 9PZ -0.00014 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00000 0.05269 -0.01730 0.01396 0.01503 72 10PY 0.00000 -0.06321 -0.03393 0.09590 0.05812 73 10PZ -0.00670 0.00000 0.00000 0.00000 0.00000 74 11PX 0.00000 -0.08652 0.02773 -0.05944 -0.00020 75 11PY 0.00000 0.07832 0.05981 -0.12542 -0.01800 76 11PZ 0.00838 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00000 -0.02237 0.21311 -0.06104 -0.00668 78 12PY 0.00000 -0.01468 0.43740 -0.06340 0.02131 79 12PZ 0.01595 0.00000 0.00000 0.00000 0.00000 80 13D 0 0.00000 -0.00316 0.02174 0.00386 -0.00252 81 13D+1 -0.00791 0.00000 0.00000 0.00000 0.00000 82 13D-1 -0.00640 0.00000 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.03741 0.02200 0.00704 0.00436 84 13D-2 0.00000 0.01387 -0.03282 -0.00447 -0.00170 85 14D 0 0.00000 0.00317 -0.06499 0.01996 0.00782 86 14D+1 0.01705 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.01218 0.00000 0.00000 0.00000 0.00000 88 14D+2 0.00000 -0.10289 -0.07082 0.00465 -0.00962 89 14D-2 0.00000 -0.02505 0.09674 -0.02974 0.00792 90 4 H 1S 0.04483 0.15078 -0.00777 -0.00308 0.00209 91 2S 0.29350 0.66191 0.17715 0.36368 0.17287 92 3S -0.07389 -0.20693 -0.03720 -0.18030 -0.01791 93 4PX 0.17687 0.04816 0.00339 0.06438 0.02645 94 4PY -0.10221 -0.21064 -0.03402 -0.08393 -0.03213 95 4PZ -0.13483 -0.41120 -0.01961 -0.15698 -0.05501 96 5 H 1S -0.04483 0.15078 -0.00777 -0.00308 0.00209 97 2S -0.29350 0.66191 0.17715 0.36368 0.17287 98 3S 0.07389 -0.20693 -0.03720 -0.18030 -0.01791 99 4PX -0.17687 0.04816 0.00339 0.06438 0.02645 100 4PY 0.10221 -0.21064 -0.03402 -0.08393 -0.03213 101 4PZ -0.13483 0.41120 0.01961 0.15698 0.05501 102 6 H 1S 0.00000 -0.07669 0.00895 0.01560 -0.01258 103 2S 0.00000 -0.10418 0.19830 0.08311 0.33085 104 3S 0.00000 0.13225 -0.05389 0.04497 -0.15789 105 4PX 0.00000 -0.05770 -0.01962 0.00090 -0.06398 106 4PY 0.00000 0.24418 -0.04288 -0.00104 -0.16436 107 4PZ -0.15223 0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.26576 -0.12212 -0.02262 0.00485 -0.01455 109 2S -1.67001 -0.62734 0.01325 -0.03314 0.30797 110 3S 0.36375 0.18067 -0.07588 0.02763 -0.15894 111 4PX 0.47041 0.02635 -0.01253 0.00801 -0.04675 112 4PY -0.60059 -0.21868 -0.01863 -0.01792 0.08439 113 4PZ 0.83287 0.36844 -0.01027 0.01426 -0.14512 114 8 H 1S 0.26576 -0.12212 -0.02262 0.00485 -0.01455 115 2S 1.67001 -0.62734 0.01325 -0.03314 0.30797 116 3S -0.36375 0.18067 -0.07588 0.02763 -0.15894 117 4PX -0.47041 0.02635 -0.01253 0.00801 -0.04675 118 4PY 0.60059 -0.21868 -0.01863 -0.01792 0.08439 119 4PZ 0.83287 -0.36844 0.01027 -0.01426 0.14512 116 117 118 119 V V V V Eigenvalues -- 25.89793 25.94812 26.88339 215.75295 1 1 C 1S 0.00000 -0.00781 0.04673 -0.00012 2 2S 0.00000 0.00911 -0.05714 0.00022 3 2PX 0.00000 -0.00683 -0.01671 0.00232 4 2PY 0.00000 -0.01247 -0.00320 0.00268 5 2PZ 0.00315 0.00000 0.00000 0.00000 6 3S 0.00000 0.00193 0.09201 -0.00021 7 3PX 0.00000 0.03218 0.04018 -0.01115 8 3PY 0.00000 0.03680 -0.01404 -0.01329 9 3PZ -0.01613 0.00000 0.00000 0.00000 10 4S 0.00000 -0.00655 -0.23193 -0.00598 11 4PX 0.00000 -0.00067 0.20034 -0.00606 12 4PY 0.00000 0.17743 0.07869 -0.02372 13 4PZ -0.05424 0.00000 0.00000 0.00000 14 5S 0.00000 0.36887 0.37099 0.22889 15 5PX 0.00000 -0.07647 -0.14397 -0.05872 16 5PY 0.00000 -0.08856 -0.10646 0.01422 17 5PZ 0.02460 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.00737 -0.00128 -0.00242 19 6D+1 -0.00234 0.00000 0.00000 0.00000 20 6D-1 -0.00985 0.00000 0.00000 0.00000 21 6D+2 0.00000 -0.00731 0.01062 -0.00105 22 6D-2 0.00000 0.00758 0.00080 0.00112 23 7D 0 0.00000 -0.01427 0.08406 0.01753 24 7D+1 -0.03640 0.00000 0.00000 0.00000 25 7D-1 0.08760 0.00000 0.00000 0.00000 26 7D+2 0.00000 -0.00701 -0.03060 0.01507 27 7D-2 0.00000 -0.09960 -0.06379 -0.01006 28 2 C 1S 0.00000 -0.04219 0.08416 -0.00097 29 2S 0.00000 0.05001 -0.10083 0.00191 30 2PX 0.00000 -0.01488 0.03295 -0.00040 31 2PY 0.00000 0.00218 0.07096 0.00265 32 2PZ -0.01496 0.00000 0.00000 0.00000 33 3S 0.00000 -0.02867 -0.14152 0.01234 34 3PX 0.00000 0.03795 -0.10560 0.00860 35 3PY 0.00000 -0.00113 -0.24560 -0.00206 36 3PZ 0.05141 0.00000 0.00000 0.00000 37 4S 0.00000 -0.14293 1.04955 -0.16553 38 4PX 0.00000 0.02949 -0.15228 0.04410 39 4PY 0.00000 -0.17189 -0.71029 0.07478 40 4PZ 0.01199 0.00000 0.00000 0.00000 41 5S 0.00000 -0.82427 -0.96605 0.13481 42 5PX 0.00000 0.04962 0.09939 -0.12797 43 5PY 0.00000 0.19341 0.40648 -0.11420 44 5PZ 0.08691 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00709 0.00036 0.00153 46 6D+1 0.00123 0.00000 0.00000 0.00000 47 6D-1 0.01284 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00967 -0.00111 0.00161 49 6D-2 0.00000 0.01806 0.02311 -0.00250 50 7D 0 0.00000 -0.06360 -0.24363 -0.00614 51 7D+1 -0.08374 0.00000 0.00000 0.00000 52 7D-1 -0.07557 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.06117 -0.18647 0.00240 54 7D-2 0.00000 -0.13485 0.21592 -0.00105 55 3 Cl 1S 0.00000 0.00001 -0.00146 -1.54240 56 2S 0.00000 0.00006 -0.00504 1.91835 57 3S 0.00000 -0.00053 0.04201 -1.45546 58 4S 0.00000 0.00125 -0.08571 0.99446 59 5S 0.00000 -0.00488 0.33561 -0.46568 60 6S 0.00000 -0.02675 -1.09188 0.38523 61 7S 0.00000 0.42888 0.64289 -0.39426 62 7PX 0.00000 -0.24265 -0.05946 -0.06919 63 7PY 0.00000 0.26812 0.03198 -0.14774 64 7PZ -0.31349 0.00000 0.00000 0.00000 65 8PX 0.00000 -1.92404 -1.17045 0.00392 66 8PY 0.00000 1.13078 -1.98836 0.00691 67 8PZ -2.22810 0.00000 0.00000 0.00000 68 9PX 0.00000 -1.52606 -0.91243 0.00227 69 9PY 0.00000 0.89677 -1.54974 0.00398 70 9PZ -1.76880 0.00000 0.00000 0.00000 71 10PX 0.00000 2.11165 1.37470 -0.00828 72 10PY 0.00000 -1.24168 2.33860 -0.01506 73 10PZ 2.43688 0.00000 0.00000 0.00000 74 11PX 0.00000 -1.13734 -0.94595 0.01018 75 11PY 0.00000 0.66296 -1.61655 0.01961 76 11PZ -1.28973 0.00000 0.00000 0.00000 77 12PX 0.00000 0.55135 0.16122 0.04593 78 12PY 0.00000 -0.29085 0.16535 0.09667 79 12PZ 0.59484 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00322 -0.02855 0.00378 81 13D+1 0.00358 0.00000 0.00000 0.00000 82 13D-1 0.01013 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00998 -0.03162 0.00404 84 13D-2 0.00000 0.00318 0.04291 -0.00572 85 14D 0 0.00000 -0.01068 0.16126 -0.01428 86 14D+1 -0.01603 0.00000 0.00000 0.00000 87 14D-1 -0.04148 0.00000 0.00000 0.00000 88 14D+2 0.00000 -0.04793 0.16548 -0.01589 89 14D-2 0.00000 -0.01543 -0.23591 0.02125 90 4 H 1S -0.00125 -0.00141 0.03817 -0.00192 91 2S -0.03057 0.06022 -0.03229 0.03493 92 3S -0.04914 0.12270 0.06512 -0.00823 93 4PX 0.02288 0.00670 0.03339 -0.00004 94 4PY 0.04674 -0.03444 0.03552 -0.00677 95 4PZ 0.00766 -0.00103 -0.00408 -0.00359 96 5 H 1S 0.00125 -0.00141 0.03817 -0.00192 97 2S 0.03057 0.06022 -0.03229 0.03493 98 3S 0.04914 0.12270 0.06512 -0.00823 99 4PX -0.02288 0.00670 0.03339 -0.00004 100 4PY -0.04674 -0.03444 0.03552 -0.00677 101 4PZ 0.00766 0.00103 0.00408 0.00359 102 6 H 1S 0.00000 0.00712 0.01525 0.00114 103 2S 0.00000 -0.04005 0.01057 0.03699 104 3S 0.00000 -0.03747 -0.01761 -0.01127 105 4PX 0.00000 0.02353 0.00634 -0.00368 106 4PY 0.00000 -0.00109 0.00192 -0.00758 107 4PZ -0.01492 0.00000 0.00000 0.00000 108 7 H 1S 0.00696 0.00214 0.00488 -0.00383 109 2S 0.08038 0.01301 -0.07746 0.00288 110 3S -0.03163 -0.00169 0.00211 -0.01651 111 4PX 0.00040 -0.00463 0.01736 -0.00228 112 4PY 0.00191 -0.00157 -0.01819 -0.00338 113 4PZ -0.01314 0.00760 0.01596 -0.00172 114 8 H 1S -0.00696 0.00214 0.00488 -0.00383 115 2S -0.08038 0.01301 -0.07746 0.00288 116 3S 0.03163 -0.00169 0.00211 -0.01651 117 4PX -0.00040 -0.00463 0.01736 -0.00228 118 4PY -0.00191 -0.00157 -0.01819 -0.00338 119 4PZ -0.01314 -0.00760 -0.01596 0.00172 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65776 2 2S 0.55859 0.48663 3 2PX -0.00141 -0.00169 0.07881 4 2PY 0.00053 0.00075 0.00018 0.08630 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.08769 6 3S -0.07515 -0.13294 0.00114 -0.00190 0.00000 7 3PX 0.00259 0.00311 0.11437 -0.00050 0.00000 8 3PY 0.00019 0.00044 -0.00013 0.11849 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.11990 10 4S -0.06678 -0.09721 0.00976 -0.00085 0.00000 11 4PX 0.00033 -0.00093 0.07375 -0.00256 0.00000 12 4PY -0.00036 -0.00051 -0.00071 0.08002 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.08451 14 5S -0.03507 -0.04546 0.01457 -0.00914 0.00000 15 5PX 0.00599 0.00822 -0.00018 0.00265 0.00000 16 5PY -0.00113 -0.00169 -0.00134 0.00736 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00956 18 6D 0 0.00013 0.00014 0.00271 -0.00451 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00313 20 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00512 21 6D+2 -0.00027 -0.00034 -0.00536 -0.00166 0.00000 22 6D-2 0.00007 0.00010 0.00105 0.00352 0.00000 23 7D 0 0.00121 0.00129 0.00307 -0.00239 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00247 25 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00179 26 7D+2 -0.00211 -0.00218 -0.00587 -0.00054 0.00000 27 7D-2 0.00044 0.00052 0.00217 0.00164 0.00000 28 2 C 1S 0.00357 0.00539 0.01707 -0.00046 0.00000 29 2S 0.00538 0.00819 0.02736 -0.00069 0.00000 30 2PX -0.01571 -0.02504 -0.06604 0.00738 0.00000 31 2PY 0.00262 0.00424 0.01108 0.00443 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00108 33 3S -0.01255 -0.01962 -0.07859 0.00155 0.00000 34 3PX -0.02495 -0.03849 -0.09764 0.01059 0.00000 35 3PY 0.00412 0.00621 0.01648 0.00691 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00250 37 4S 0.00063 -0.00214 -0.04184 -0.00324 0.00000 38 4PX -0.01254 -0.01933 -0.06199 0.00368 0.00000 39 4PY 0.00245 0.00399 0.01178 -0.00009 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00745 41 5S 0.03061 0.04069 -0.00599 -0.00653 0.00000 42 5PX 0.00847 0.01136 -0.00128 0.00456 0.00000 43 5PY -0.00115 -0.00132 0.00232 0.00417 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00331 45 6D 0 0.00095 0.00149 0.00236 -0.00074 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00304 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00080 48 6D+2 -0.00145 -0.00234 -0.00386 0.00046 0.00000 49 6D-2 0.00014 0.00028 0.00092 0.00286 0.00000 50 7D 0 0.00236 0.00283 0.00240 -0.00244 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.01008 52 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00341 53 7D+2 -0.00385 -0.00492 -0.00365 -0.00072 0.00000 54 7D-2 0.00077 0.00099 0.00232 0.00995 0.00000 55 3 Cl 1S 0.00016 0.00024 0.00052 0.00071 0.00000 56 2S 0.00045 0.00070 0.00151 0.00203 0.00000 57 3S -0.00092 -0.00142 -0.00309 -0.00418 0.00000 58 4S -0.00175 -0.00274 -0.00566 -0.00788 0.00000 59 5S 0.00315 0.00477 0.00921 0.01376 0.00000 60 6S 0.00032 0.00131 0.00657 0.01119 0.00000 61 7S -0.00296 -0.00405 -0.00107 0.01516 0.00000 62 7PX -0.00166 -0.00243 -0.00280 0.00215 0.00000 63 7PY -0.00082 -0.00116 -0.00087 0.00337 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00060 65 8PX -0.00446 -0.00720 -0.01130 -0.00465 0.00000 66 8PY -0.00015 -0.00012 -0.00445 -0.00467 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00338 68 9PX 0.00167 0.00270 0.00428 0.00175 0.00000 69 9PY 0.00001 0.00001 0.00166 0.00174 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00000 -0.00127 71 10PX 0.00550 0.00882 0.01401 0.00587 0.00000 72 10PY 0.00028 0.00020 0.00517 0.00591 0.00000 73 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00404 74 11PX 0.01085 0.01788 0.02943 0.01222 0.00000 75 11PY -0.00062 -0.00068 0.01055 0.01062 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00850 77 12PX 0.00920 0.01470 0.03026 0.01219 0.00000 78 12PY -0.00213 -0.00321 0.00181 0.00918 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00426 80 13D 0 -0.00000 -0.00005 0.00016 0.00034 0.00000 81 13D+1 0.00000 0.00000 0.00000 0.00000 0.00043 82 13D-1 0.00000 0.00000 0.00000 0.00000 -0.00042 83 13D+2 -0.00070 -0.00106 -0.00265 -0.00059 0.00000 84 13D-2 -0.00013 -0.00020 -0.00195 -0.00027 0.00000 85 14D 0 -0.00011 -0.00011 0.00039 0.00132 0.00000 86 14D+1 0.00000 0.00000 0.00000 0.00000 0.00140 87 14D-1 0.00000 0.00000 0.00000 0.00000 -0.00073 88 14D+2 -0.00108 -0.00189 -0.00491 -0.00020 0.00000 89 14D-2 -0.00056 -0.00068 -0.00422 -0.00034 0.00000 90 4 H 1S 0.00313 0.00509 0.00862 -0.00334 -0.00517 91 2S 0.00342 0.00674 0.01404 -0.00523 -0.00668 92 3S 0.00154 0.00265 0.01174 -0.00783 -0.01388 93 4PX -0.00074 -0.00103 -0.00326 0.00036 -0.00006 94 4PY 0.00016 0.00008 0.00039 0.00025 -0.00009 95 4PZ -0.00012 -0.00042 -0.00086 -0.00002 -0.00017 96 5 H 1S 0.00313 0.00509 0.00862 -0.00334 0.00517 97 2S 0.00342 0.00674 0.01404 -0.00523 0.00668 98 3S 0.00154 0.00265 0.01174 -0.00783 0.01388 99 4PX -0.00074 -0.00103 -0.00326 0.00036 0.00006 100 4PY 0.00016 0.00008 0.00039 0.00025 0.00009 101 4PZ 0.00012 0.00042 0.00086 0.00002 -0.00017 102 6 H 1S -0.01818 -0.02831 0.03040 0.06976 0.00000 103 2S -0.02658 -0.03794 0.04253 0.10264 0.00000 104 3S 0.00594 0.00632 0.01680 0.04287 0.00000 105 4PX 0.00238 0.00305 0.00211 -0.00552 0.00000 106 4PY 0.00565 0.00712 -0.00426 -0.00625 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00516 108 7 H 1S -0.01875 -0.02922 0.02269 -0.03765 0.06300 109 2S -0.02765 -0.03967 0.03121 -0.05468 0.09088 110 3S 0.00479 0.00445 0.00894 -0.01944 0.03508 111 4PX 0.00183 0.00236 0.00321 0.00228 -0.00376 112 4PY -0.00309 -0.00391 0.00181 0.00173 0.00566 113 4PZ 0.00511 0.00644 -0.00294 0.00546 -0.00399 114 8 H 1S -0.01875 -0.02922 0.02269 -0.03765 -0.06300 115 2S -0.02765 -0.03967 0.03121 -0.05468 -0.09088 116 3S 0.00479 0.00445 0.00894 -0.01944 -0.03508 117 4PX 0.00183 0.00236 0.00321 0.00228 0.00376 118 4PY -0.00309 -0.00391 0.00181 0.00173 -0.00566 119 4PZ -0.00511 -0.00644 0.00294 -0.00546 -0.00399 6 7 8 9 10 6 3S 0.39851 7 3PX -0.00808 0.16630 8 3PY -0.00184 -0.00117 0.16294 9 3PZ 0.00000 0.00000 0.00000 0.16395 10 4S 0.23623 0.00834 -0.00086 0.00000 0.14368 11 4PX 0.00491 0.10691 -0.00394 0.00000 0.01021 12 4PY 0.00110 -0.00180 0.10996 0.00000 0.00034 13 4PZ 0.00000 0.00000 0.00000 0.11552 0.00000 14 5S 0.09252 0.01799 -0.01355 0.00000 0.05824 15 5PX -0.01862 0.00041 0.00402 0.00000 -0.01198 16 5PY 0.00448 -0.00218 0.00980 0.00000 0.00344 17 5PZ 0.00000 0.00000 0.00000 0.01306 0.00000 18 6D 0 -0.00022 0.00400 -0.00619 0.00000 0.00026 19 6D+1 0.00000 0.00000 0.00000 0.00424 0.00000 20 6D-1 0.00000 0.00000 0.00000 -0.00699 0.00000 21 6D+2 0.00074 -0.00780 -0.00227 0.00000 -0.00028 22 6D-2 -0.00028 0.00146 0.00476 0.00000 -0.00010 23 7D 0 -0.00159 0.00446 -0.00347 0.00000 -0.00030 24 7D+1 0.00000 0.00000 0.00000 0.00328 0.00000 25 7D-1 0.00000 0.00000 0.00000 -0.00240 0.00000 26 7D+2 0.00255 -0.00869 -0.00087 0.00000 0.00071 27 7D-2 -0.00086 0.00308 0.00200 0.00000 -0.00028 28 2 C 1S -0.01261 0.02760 -0.00005 0.00000 0.00248 29 2S -0.01970 0.04259 -0.00027 0.00000 0.00116 30 2PX 0.06993 -0.09718 0.01140 0.00000 0.03677 31 2PY -0.01270 0.01758 0.00853 0.00000 -0.00617 32 2PZ 0.00000 0.00000 0.00000 0.00248 0.00000 33 3S 0.04961 -0.11715 0.00100 0.00000 0.00258 34 3PX 0.10349 -0.14363 0.01658 0.00000 0.05431 35 3PY -0.01702 0.02633 0.01341 0.00000 -0.00701 36 3PZ 0.00000 0.00000 0.00000 0.00481 0.00000 37 4S 0.01376 -0.06174 -0.00546 0.00000 -0.00822 38 4PX 0.05236 -0.09098 0.00619 0.00000 0.02676 39 4PY -0.01187 0.01848 0.00222 0.00000 -0.00388 40 4PZ 0.00000 0.00000 0.00000 -0.00935 0.00000 41 5S -0.08662 -0.00707 -0.01071 0.00000 -0.05300 42 5PX -0.02464 -0.00079 0.00710 0.00000 -0.01591 43 5PY 0.00174 0.00367 0.00668 0.00000 -0.00031 44 5PZ 0.00000 0.00000 0.00000 -0.00446 0.00000 45 6D 0 -0.00409 0.00360 -0.00089 0.00000 -0.00235 46 6D+1 0.00000 0.00000 0.00000 0.00411 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.00104 0.00000 48 6D+2 0.00653 -0.00572 0.00068 0.00000 0.00369 49 6D-2 -0.00087 0.00124 0.00374 0.00000 -0.00027 50 7D 0 -0.00500 0.00385 -0.00304 0.00000 -0.00241 51 7D+1 0.00000 0.00000 0.00000 0.01375 0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.00464 0.00000 53 7D+2 0.01009 -0.00542 -0.00110 0.00000 0.00684 54 7D-2 -0.00185 0.00305 0.01292 0.00000 -0.00040 55 3 Cl 1S -0.00062 0.00032 0.00058 0.00000 0.00036 56 2S -0.00177 0.00091 0.00165 0.00000 0.00103 57 3S 0.00359 -0.00204 -0.00359 0.00000 -0.00237 58 4S 0.00708 -0.00414 -0.00731 0.00000 -0.00452 59 5S -0.01208 0.00869 0.01524 0.00000 0.00823 60 6S -0.00563 0.00555 0.01308 0.00000 0.01306 61 7S 0.00878 -0.00029 0.02394 0.00000 0.00442 62 7PX 0.00619 -0.00394 0.00317 0.00000 0.00431 63 7PY 0.00258 -0.00067 0.00596 0.00000 0.00101 64 7PZ 0.00000 0.00000 0.00000 0.00081 0.00000 65 8PX 0.02191 -0.01638 -0.00768 0.00000 0.02170 66 8PY -0.00061 -0.00500 -0.00218 0.00000 -0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00480 0.00000 68 9PX -0.00825 0.00621 0.00291 0.00000 -0.00815 69 9PY 0.00026 0.00187 0.00080 0.00000 0.00004 70 9PZ 0.00000 0.00000 0.00000 -0.00180 0.00000 71 10PX -0.02656 0.02046 0.00982 0.00000 -0.02526 72 10PY 0.00090 0.00596 0.00356 0.00000 0.00033 73 10PZ 0.00000 0.00000 0.00000 -0.00568 0.00000 74 11PX -0.05553 0.04295 0.02056 0.00000 -0.05313 75 11PY 0.00257 0.01202 0.00494 0.00000 0.00134 76 11PZ 0.00000 0.00000 0.00000 -0.01195 0.00000 77 12PX -0.04369 0.04454 0.01990 0.00000 -0.03675 78 12PY 0.00964 0.00078 0.00746 0.00000 0.00831 79 12PZ 0.00000 0.00000 0.00000 -0.00620 0.00000 80 13D 0 0.00031 0.00033 0.00066 0.00000 0.00056 81 13D+1 0.00000 0.00000 0.00000 0.00061 0.00000 82 13D-1 0.00000 0.00000 0.00000 -0.00053 0.00000 83 13D+2 0.00280 -0.00380 -0.00056 0.00000 0.00170 84 13D-2 0.00054 -0.00300 -0.00060 0.00000 -0.00046 85 14D 0 0.00016 0.00079 0.00218 0.00000 0.00073 86 14D+1 0.00000 0.00000 0.00000 0.00195 0.00000 87 14D-1 0.00000 0.00000 0.00000 -0.00088 0.00000 88 14D+2 0.00584 -0.00702 0.00024 0.00000 0.00349 89 14D-2 0.00120 -0.00650 -0.00091 0.00000 -0.00073 90 4 H 1S -0.01560 0.01301 -0.00396 -0.00635 -0.01253 91 2S -0.02417 0.02102 -0.00636 -0.00806 -0.01849 92 3S -0.00847 0.01772 -0.00961 -0.01854 -0.00461 93 4PX 0.00238 -0.00478 0.00060 -0.00003 0.00088 94 4PY 0.00035 0.00066 0.00048 -0.00019 0.00071 95 4PZ 0.00201 -0.00126 -0.00006 -0.00028 0.00180 96 5 H 1S -0.01560 0.01301 -0.00396 0.00635 -0.01253 97 2S -0.02417 0.02102 -0.00636 0.00806 -0.01849 98 3S -0.00847 0.01772 -0.00961 0.01854 -0.00461 99 4PX 0.00238 -0.00478 0.00060 0.00003 0.00088 100 4PY 0.00035 0.00066 0.00048 0.00019 0.00071 101 4PZ -0.00201 0.00126 0.00006 -0.00028 -0.00180 102 6 H 1S 0.07386 0.04157 0.09570 0.00000 0.04726 103 2S 0.08858 0.05826 0.14047 0.00000 0.05752 104 3S -0.00836 0.02406 0.05862 0.00000 -0.00402 105 4PX -0.00614 0.00330 -0.00755 0.00000 -0.00353 106 4PY -0.01361 -0.00576 -0.00854 0.00000 -0.00868 107 4PZ 0.00000 0.00000 0.00000 0.00705 0.00000 108 7 H 1S 0.07667 0.03145 -0.05154 0.08607 0.04809 109 2S 0.09383 0.04358 -0.07484 0.12415 0.05941 110 3S -0.00291 0.01342 -0.02648 0.04777 -0.00062 111 4PX -0.00484 0.00476 0.00308 -0.00513 -0.00255 112 4PY 0.00758 0.00243 0.00239 0.00774 0.00478 113 4PZ -0.01239 -0.00400 0.00749 -0.00546 -0.00777 114 8 H 1S 0.07667 0.03145 -0.05154 -0.08607 0.04809 115 2S 0.09383 0.04358 -0.07484 -0.12415 0.05941 116 3S -0.00291 0.01342 -0.02648 -0.04777 -0.00062 117 4PX -0.00484 0.00476 0.00308 0.00513 -0.00255 118 4PY 0.00758 0.00243 0.00239 -0.00774 0.00478 119 4PZ 0.01239 0.00400 -0.00749 -0.00546 0.00777 11 12 13 14 15 11 4PX 0.07000 12 4PY -0.00304 0.07522 13 4PZ 0.00000 0.00000 0.08258 14 5S 0.01353 -0.00578 0.00000 0.04913 15 5PX 0.00013 0.00193 0.00000 -0.01100 0.00287 16 5PY -0.00175 0.00632 0.00000 0.00025 -0.00044 17 5PZ 0.00000 0.00000 0.00955 0.00000 0.00000 18 6D 0 0.00261 -0.00425 0.00000 0.00068 -0.00010 19 6D+1 0.00000 0.00000 0.00313 0.00000 0.00000 20 6D-1 0.00000 0.00000 -0.00492 0.00000 0.00000 21 6D+2 -0.00488 -0.00149 0.00000 -0.00073 -0.00003 22 6D-2 0.00091 0.00346 0.00000 0.00090 -0.00017 23 7D 0 0.00287 -0.00255 0.00000 0.00067 -0.00022 24 7D+1 0.00000 0.00000 0.00289 0.00000 0.00000 25 7D-1 0.00000 0.00000 -0.00201 0.00000 0.00000 26 7D+2 -0.00526 -0.00052 0.00000 0.00036 -0.00031 27 7D-2 0.00211 0.00184 0.00000 0.00198 -0.00051 28 2 C 1S 0.01289 0.00144 0.00000 0.00657 -0.00231 29 2S 0.02052 0.00177 0.00000 0.01065 -0.00358 30 2PX -0.06411 0.00965 0.00000 0.00806 -0.00457 31 2PY 0.00941 -0.00083 0.00000 -0.03251 0.00941 32 2PZ 0.00000 0.00000 -0.00275 0.00000 0.00000 33 3S -0.05893 -0.00338 0.00000 -0.03086 0.00968 34 3PX -0.09473 0.01370 0.00000 0.01021 -0.00622 35 3PY 0.01315 -0.00081 0.00000 -0.04837 0.01380 36 3PZ 0.00000 0.00000 -0.00308 0.00000 0.00000 37 4S -0.02906 -0.00546 0.00000 -0.02948 0.00810 38 4PX -0.06037 0.00559 0.00000 0.00586 -0.00398 39 4PY 0.00900 -0.00619 0.00000 -0.02931 0.00829 40 4PZ 0.00000 0.00000 -0.01133 0.00000 0.00000 41 5S -0.00379 -0.01250 0.00000 -0.03443 0.00682 42 5PX -0.00120 0.00455 0.00000 -0.01394 0.00366 43 5PY 0.00243 0.00549 0.00000 -0.00238 0.00150 44 5PZ 0.00000 0.00000 -0.00430 0.00000 0.00000 45 6D 0 0.00230 -0.00098 0.00000 -0.00251 0.00078 46 6D+1 0.00000 0.00000 0.00314 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.00071 0.00000 0.00000 48 6D+2 -0.00369 0.00036 0.00000 -0.00016 -0.00014 49 6D-2 0.00074 0.00274 0.00000 0.00143 -0.00041 50 7D 0 0.00198 -0.00268 0.00000 -0.00384 0.00100 51 7D+1 0.00000 0.00000 0.01065 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.00207 0.00000 0.00000 53 7D+2 -0.00371 -0.00154 0.00000 -0.00154 -0.00015 54 7D-2 0.00209 0.00888 0.00000 0.00166 -0.00072 55 3 Cl 1S -0.00028 -0.00020 0.00000 0.00807 -0.00214 56 2S -0.00082 -0.00060 0.00000 0.02320 -0.00614 57 3S 0.00169 0.00091 0.00000 -0.04377 0.01161 58 4S 0.00297 0.00052 0.00000 -0.07122 0.01892 59 5S -0.00399 0.00391 0.00000 0.07736 -0.02076 60 6S -0.00772 0.00018 0.00000 0.06707 -0.01827 61 7S -0.00271 0.01684 0.00000 -0.01417 0.00478 62 7PX -0.00307 0.00154 0.00000 -0.00416 0.00067 63 7PY -0.00134 0.00412 0.00000 -0.00691 0.00224 64 7PZ 0.00000 0.00000 0.00179 0.00000 0.00000 65 8PX -0.01410 -0.01165 0.00000 -0.01374 -0.00057 66 8PY -0.00775 -0.00446 0.00000 -0.01348 0.00489 67 8PZ 0.00000 0.00000 0.01316 0.00000 0.00000 68 9PX 0.00532 0.00438 0.00000 0.00513 0.00023 69 9PY 0.00289 0.00165 0.00000 0.00505 -0.00184 70 9PZ 0.00000 0.00000 -0.00495 0.00000 0.00000 71 10PX 0.01687 0.01367 0.00000 0.01431 0.00111 72 10PY 0.00875 0.00595 0.00000 0.01504 -0.00550 73 10PZ 0.00000 0.00000 -0.01525 0.00000 0.00000 74 11PX 0.03545 0.02878 0.00000 0.03097 0.00226 75 11PY 0.01803 0.01042 0.00000 0.03180 -0.01167 76 11PZ 0.00000 0.00000 -0.03257 0.00000 0.00000 77 12PX 0.03211 0.02145 0.00000 0.01514 0.00322 78 12PY 0.00404 0.00777 0.00000 0.01809 -0.00744 79 12PZ 0.00000 0.00000 -0.01955 0.00000 0.00000 80 13D 0 -0.00020 0.00018 0.00000 -0.00114 0.00026 81 13D+1 0.00000 0.00000 0.00024 0.00000 0.00000 82 13D-1 0.00000 0.00000 -0.00075 0.00000 0.00000 83 13D+2 -0.00285 -0.00039 0.00000 -0.00010 -0.00007 84 13D-2 -0.00137 0.00014 0.00000 0.00207 -0.00052 85 14D 0 -0.00022 0.00105 0.00000 -0.00274 0.00065 86 14D+1 0.00000 0.00000 0.00095 0.00000 0.00000 87 14D-1 0.00000 0.00000 -0.00149 0.00000 0.00000 88 14D+2 -0.00527 0.00028 0.00000 -0.00040 -0.00006 89 14D-2 -0.00320 0.00036 0.00000 0.00468 -0.00117 90 4 H 1S 0.01110 -0.00665 -0.00708 -0.02143 0.00708 91 2S 0.01705 -0.00952 -0.00893 -0.02673 0.00916 92 3S 0.01094 -0.00757 -0.01213 -0.00501 0.00246 93 4PX -0.00297 0.00028 -0.00024 -0.00094 0.00021 94 4PY -0.00002 0.00022 0.00007 -0.00036 0.00002 95 4PZ -0.00132 0.00052 -0.00003 0.00290 -0.00097 96 5 H 1S 0.01110 -0.00665 0.00708 -0.02143 0.00708 97 2S 0.01705 -0.00952 0.00893 -0.02673 0.00916 98 3S 0.01094 -0.00757 0.01213 -0.00501 0.00246 99 4PX -0.00297 0.00028 0.00024 -0.00094 0.00021 100 4PY -0.00002 0.00022 -0.00007 -0.00036 0.00002 101 4PZ 0.00132 -0.00052 -0.00003 -0.00290 0.00097 102 6 H 1S 0.02711 0.06543 0.00000 0.01793 -0.00192 103 2S 0.03777 0.09603 0.00000 0.02341 -0.00250 104 3S 0.01482 0.04077 0.00000 0.00116 0.00076 105 4PX 0.00210 -0.00514 0.00000 -0.00068 0.00021 106 4PY -0.00393 -0.00583 0.00000 -0.00372 0.00057 107 4PZ 0.00000 0.00000 0.00501 0.00000 0.00000 108 7 H 1S 0.02307 -0.03481 0.06081 0.02452 -0.00440 109 2S 0.03166 -0.05070 0.08734 0.03102 -0.00549 110 3S 0.00878 -0.01879 0.03392 -0.00115 0.00054 111 4PX 0.00294 0.00203 -0.00359 -0.00083 0.00030 112 4PY 0.00169 0.00164 0.00547 0.00175 -0.00027 113 4PZ -0.00303 0.00503 -0.00380 -0.00398 0.00075 114 8 H 1S 0.02307 -0.03481 -0.06081 0.02452 -0.00440 115 2S 0.03166 -0.05070 -0.08734 0.03102 -0.00549 116 3S 0.00878 -0.01879 -0.03392 -0.00115 0.00054 117 4PX 0.00294 0.00203 0.00359 -0.00083 0.00030 118 4PY 0.00169 0.00164 -0.00547 0.00175 -0.00027 119 4PZ 0.00303 -0.00503 -0.00380 0.00398 -0.00075 16 17 18 19 20 16 5PY 0.00154 17 5PZ 0.00000 0.00114 18 6D 0 -0.00040 0.00000 0.00034 19 6D+1 0.00000 0.00039 0.00000 0.00020 20 6D-1 0.00000 -0.00056 0.00000 -0.00021 0.00031 21 6D+2 -0.00005 0.00000 -0.00011 0.00000 0.00000 22 6D-2 0.00025 0.00000 -0.00016 0.00000 0.00000 23 7D 0 0.00010 0.00000 0.00024 0.00000 0.00000 24 7D+1 0.00000 0.00045 0.00000 0.00038 -0.00023 25 7D-1 0.00000 -0.00029 0.00000 -0.00019 0.00014 26 7D+2 0.00018 0.00000 -0.00021 0.00000 0.00000 27 7D-2 0.00023 0.00000 -0.00004 0.00000 0.00000 28 2 C 1S 0.00052 0.00000 0.00098 0.00000 0.00000 29 2S 0.00063 0.00000 0.00150 0.00000 0.00000 30 2PX 0.00232 0.00000 -0.00251 0.00000 0.00000 31 2PY -0.00076 0.00000 0.00056 0.00000 0.00000 32 2PZ 0.00000 -0.00136 0.00000 -0.00287 0.00086 33 3S -0.00122 0.00000 -0.00403 0.00000 0.00000 34 3PX 0.00327 0.00000 -0.00368 0.00000 0.00000 35 3PY -0.00095 0.00000 0.00091 0.00000 0.00000 36 3PZ 0.00000 -0.00184 0.00000 -0.00390 0.00110 37 4S -0.00072 0.00000 -0.00191 0.00000 0.00000 38 4PX 0.00179 0.00000 -0.00219 0.00000 0.00000 39 4PY -0.00034 0.00000 0.00087 0.00000 0.00000 40 4PZ 0.00000 -0.00232 0.00000 -0.00269 0.00115 41 5S 0.00179 0.00000 0.00013 0.00000 0.00000 42 5PX -0.00103 0.00000 -0.00019 0.00000 0.00000 43 5PY -0.00158 0.00000 -0.00014 0.00000 0.00000 44 5PZ 0.00000 -0.00070 0.00000 -0.00034 0.00022 45 6D 0 -0.00027 0.00000 0.00014 0.00000 0.00000 46 6D+1 0.00000 0.00041 0.00000 0.00023 -0.00021 47 6D-1 0.00000 -0.00009 0.00000 -0.00019 0.00011 48 6D+2 0.00034 0.00000 -0.00014 0.00000 0.00000 49 6D-2 0.00039 0.00000 -0.00014 0.00000 0.00000 50 7D 0 -0.00035 0.00000 0.00029 0.00000 0.00000 51 7D+1 0.00000 0.00137 0.00000 0.00048 -0.00059 52 7D-1 0.00000 -0.00004 0.00000 -0.00015 0.00028 53 7D+2 0.00115 0.00000 0.00000 0.00000 0.00000 54 7D-2 0.00177 0.00000 -0.00048 0.00000 0.00000 55 3 Cl 1S 0.00055 0.00000 -0.00008 0.00000 0.00000 56 2S 0.00158 0.00000 -0.00022 0.00000 0.00000 57 3S -0.00307 0.00000 0.00043 0.00000 0.00000 58 4S -0.00518 0.00000 0.00073 0.00000 0.00000 59 5S 0.00655 0.00000 -0.00091 0.00000 0.00000 60 6S 0.00632 0.00000 -0.00057 0.00000 0.00000 61 7S -0.00222 0.00000 -0.00050 0.00000 0.00000 62 7PX 0.00083 0.00000 -0.00009 0.00000 0.00000 63 7PY -0.00118 0.00000 -0.00007 0.00000 0.00000 64 7PZ 0.00000 0.00041 0.00000 0.00009 0.00000 65 8PX 0.00816 0.00000 0.00051 0.00000 0.00000 66 8PY -0.00426 0.00000 0.00050 0.00000 0.00000 67 8PZ 0.00000 0.00305 0.00000 -0.00002 0.00039 68 9PX -0.00307 0.00000 -0.00019 0.00000 0.00000 69 9PY 0.00161 0.00000 -0.00019 0.00000 0.00000 70 9PZ 0.00000 -0.00115 0.00000 0.00001 -0.00015 71 10PX -0.00925 0.00000 -0.00054 0.00000 0.00000 72 10PY 0.00505 0.00000 -0.00055 0.00000 0.00000 73 10PZ 0.00000 -0.00356 0.00000 0.00006 -0.00045 74 11PX -0.01977 0.00000 -0.00115 0.00000 0.00000 75 11PY 0.01065 0.00000 -0.00108 0.00000 0.00000 76 11PZ 0.00000 -0.00762 0.00000 0.00008 -0.00096 77 12PX -0.01294 0.00000 -0.00044 0.00000 0.00000 78 12PY 0.00762 0.00000 -0.00071 0.00000 0.00000 79 12PZ 0.00000 -0.00464 0.00000 0.00055 -0.00085 80 13D 0 0.00002 0.00000 0.00003 0.00000 0.00000 81 13D+1 0.00000 -0.00001 0.00000 -0.00004 -0.00001 82 13D-1 0.00000 -0.00016 0.00000 -0.00015 0.00006 83 13D+2 -0.00011 0.00000 -0.00002 0.00000 0.00000 84 13D-2 -0.00009 0.00000 -0.00012 0.00000 0.00000 85 14D 0 0.00006 0.00000 0.00003 0.00000 0.00000 86 14D+1 0.00000 0.00003 0.00000 -0.00005 -0.00006 87 14D-1 0.00000 -0.00035 0.00000 -0.00035 0.00013 88 14D+2 -0.00019 0.00000 -0.00008 0.00000 0.00000 89 14D-2 -0.00015 0.00000 -0.00027 0.00000 0.00000 90 4 H 1S -0.00177 -0.00145 0.00037 -0.00222 0.00097 91 2S -0.00272 -0.00187 0.00060 -0.00326 0.00142 92 3S -0.00256 -0.00135 0.00088 -0.00170 0.00134 93 4PX 0.00000 -0.00008 -0.00013 -0.00015 0.00005 94 4PY 0.00007 0.00006 0.00005 0.00016 -0.00005 95 4PZ 0.00017 0.00004 -0.00000 0.00014 -0.00004 96 5 H 1S -0.00177 0.00145 0.00037 0.00222 -0.00097 97 2S -0.00272 0.00187 0.00060 0.00326 -0.00142 98 3S -0.00256 0.00135 0.00088 0.00170 -0.00134 99 4PX 0.00000 0.00008 -0.00013 0.00015 -0.00005 100 4PY 0.00007 -0.00006 0.00005 -0.00016 0.00005 101 4PZ -0.00017 0.00004 0.00000 0.00014 -0.00004 102 6 H 1S 0.00606 0.00000 -0.00271 0.00000 0.00000 103 2S 0.00903 0.00000 -0.00409 0.00000 0.00000 104 3S 0.00263 0.00000 -0.00176 0.00000 0.00000 105 4PX -0.00068 0.00000 0.00037 0.00000 0.00000 106 4PY -0.00066 0.00000 0.00020 0.00000 0.00000 107 4PZ 0.00000 0.00057 0.00000 0.00019 -0.00030 108 7 H 1S -0.00274 0.00693 0.00270 0.00243 -0.00374 109 2S -0.00418 0.00988 0.00388 0.00352 -0.00543 110 3S -0.00175 0.00394 0.00140 0.00178 -0.00225 111 4PX 0.00011 -0.00040 -0.00001 -0.00014 0.00022 112 4PY 0.00020 0.00062 -0.00003 0.00020 -0.00033 113 4PZ 0.00036 -0.00042 -0.00038 -0.00014 0.00023 114 8 H 1S -0.00274 -0.00693 0.00270 -0.00243 0.00374 115 2S -0.00418 -0.00988 0.00388 -0.00352 0.00543 116 3S -0.00175 -0.00394 0.00140 -0.00178 0.00225 117 4PX 0.00011 0.00040 -0.00001 0.00014 -0.00022 118 4PY 0.00020 -0.00062 -0.00003 -0.00020 0.00033 119 4PZ -0.00036 -0.00042 0.00038 -0.00014 0.00023 21 22 23 24 25 21 6D+2 0.00041 22 6D-2 -0.00014 0.00024 23 7D 0 -0.00016 -0.00007 0.00039 24 7D+1 0.00000 0.00000 0.00000 0.00101 25 7D-1 0.00000 0.00000 0.00000 -0.00047 0.00023 26 7D+2 0.00045 -0.00006 -0.00013 0.00000 0.00000 27 7D-2 -0.00017 0.00026 0.00011 0.00000 0.00000 28 2 C 1S -0.00162 0.00041 0.00051 0.00000 0.00000 29 2S -0.00255 0.00067 0.00086 0.00000 0.00000 30 2PX 0.00414 -0.00051 -0.00366 0.00000 0.00000 31 2PY -0.00088 -0.00177 -0.00013 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.00930 0.00408 33 3S 0.00715 -0.00190 -0.00262 0.00000 0.00000 34 3PX 0.00614 -0.00088 -0.00545 0.00000 0.00000 35 3PY -0.00142 -0.00270 -0.00030 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.01279 0.00562 37 4S 0.00403 -0.00122 -0.00113 0.00000 0.00000 38 4PX 0.00393 -0.00064 -0.00320 0.00000 0.00000 39 4PY -0.00091 -0.00211 0.00044 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 -0.00811 0.00370 41 5S 0.00080 -0.00121 0.00246 0.00000 0.00000 42 5PX -0.00007 -0.00008 -0.00076 0.00000 0.00000 43 5PY -0.00027 0.00022 -0.00107 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -0.00090 0.00048 45 6D 0 -0.00014 -0.00011 0.00008 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00048 -0.00024 47 6D-1 0.00000 0.00000 0.00000 -0.00051 0.00021 48 6D+2 0.00025 -0.00009 -0.00015 0.00000 0.00000 49 6D-2 -0.00012 0.00023 0.00006 0.00000 0.00000 50 7D 0 -0.00016 -0.00028 0.00010 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00078 -0.00048 52 7D-1 0.00000 0.00000 0.00000 -0.00003 -0.00005 53 7D+2 0.00025 -0.00031 0.00024 0.00000 0.00000 54 7D-2 -0.00030 0.00061 0.00035 0.00000 0.00000 55 3 Cl 1S -0.00008 0.00010 0.00050 0.00000 0.00000 56 2S -0.00022 0.00027 0.00144 0.00000 0.00000 57 3S 0.00046 -0.00053 -0.00273 0.00000 0.00000 58 4S 0.00082 -0.00099 -0.00439 0.00000 0.00000 59 5S -0.00130 0.00150 0.00458 0.00000 0.00000 60 6S -0.00124 0.00046 0.00420 0.00000 0.00000 61 7S -0.00052 0.00003 -0.00293 0.00000 0.00000 62 7PX 0.00010 -0.00021 -0.00011 0.00000 0.00000 63 7PY -0.00012 -0.00017 -0.00114 0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00039 -0.00026 65 8PX 0.00066 -0.00184 0.00273 0.00000 0.00000 66 8PY -0.00004 -0.00160 -0.00258 0.00000 0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00105 -0.00127 68 9PX -0.00025 0.00069 -0.00103 0.00000 0.00000 69 9PY 0.00001 0.00060 0.00096 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 -0.00039 0.00047 71 10PX -0.00087 0.00210 -0.00338 0.00000 0.00000 72 10PY -0.00001 0.00184 0.00259 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 -0.00101 0.00129 74 11PX -0.00182 0.00442 -0.00719 0.00000 0.00000 75 11PY 0.00005 0.00372 0.00564 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 -0.00233 0.00285 77 12PX -0.00214 0.00270 -0.00450 0.00000 0.00000 78 12PY 0.00006 0.00182 0.00324 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 -0.00006 0.00122 80 13D 0 -0.00005 -0.00009 -0.00006 0.00000 0.00000 81 13D+1 0.00000 0.00000 0.00000 -0.00017 0.00008 82 13D-1 0.00000 0.00000 0.00000 -0.00047 0.00022 83 13D+2 0.00015 -0.00011 -0.00023 0.00000 0.00000 84 13D-2 0.00018 0.00015 -0.00005 0.00000 0.00000 85 14D 0 -0.00012 -0.00013 -0.00016 0.00000 0.00000 86 14D+1 0.00000 0.00000 0.00000 -0.00033 0.00015 87 14D-1 0.00000 0.00000 0.00000 -0.00112 0.00052 88 14D+2 0.00025 -0.00016 -0.00052 0.00000 0.00000 89 14D-2 0.00038 0.00028 -0.00011 0.00000 0.00000 90 4 H 1S -0.00015 -0.00110 0.00043 -0.00660 0.00290 91 2S -0.00037 -0.00140 0.00065 -0.00970 0.00422 92 3S -0.00070 -0.00058 -0.00007 -0.00388 0.00162 93 4PX 0.00023 -0.00009 -0.00019 -0.00047 0.00021 94 4PY -0.00008 -0.00004 -0.00003 0.00052 -0.00022 95 4PZ -0.00001 0.00013 -0.00007 0.00044 -0.00019 96 5 H 1S -0.00015 -0.00110 0.00043 0.00660 -0.00290 97 2S -0.00037 -0.00140 0.00065 0.00970 -0.00422 98 3S -0.00070 -0.00058 -0.00007 0.00388 -0.00162 99 4PX 0.00023 -0.00009 -0.00019 0.00047 -0.00021 100 4PY -0.00008 -0.00004 -0.00003 -0.00052 0.00022 101 4PZ 0.00001 -0.00013 0.00007 0.00044 -0.00019 102 6 H 1S -0.00324 0.00338 -0.00117 0.00000 0.00000 103 2S -0.00463 0.00505 -0.00151 0.00000 0.00000 104 3S -0.00195 0.00235 -0.00076 0.00000 0.00000 105 4PX -0.00005 -0.00020 0.00021 0.00000 0.00000 106 4PY 0.00038 -0.00032 0.00004 0.00000 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.00017 -0.00012 108 7 H 1S -0.00068 -0.00136 0.00158 0.00235 -0.00153 109 2S -0.00091 -0.00202 0.00228 0.00337 -0.00216 110 3S -0.00026 -0.00094 0.00092 0.00262 -0.00139 111 4PX -0.00027 0.00014 0.00010 -0.00012 0.00008 112 4PY -0.00014 0.00008 -0.00002 0.00017 -0.00012 113 4PZ 0.00007 0.00019 -0.00022 -0.00009 0.00007 114 8 H 1S -0.00068 -0.00136 0.00158 -0.00235 0.00153 115 2S -0.00091 -0.00202 0.00228 -0.00337 0.00216 116 3S -0.00026 -0.00094 0.00092 -0.00262 0.00139 117 4PX -0.00027 0.00014 0.00010 0.00012 -0.00008 118 4PY -0.00014 0.00008 -0.00002 -0.00017 0.00012 119 4PZ -0.00007 -0.00019 0.00022 -0.00009 0.00007 26 27 28 29 30 26 7D+2 0.00064 27 7D-2 -0.00008 0.00053 28 2 C 1S -0.00465 0.00197 0.65829 29 2S -0.00581 0.00236 0.55943 0.48802 30 2PX 0.00410 -0.00189 -0.00170 -0.00270 0.08263 31 2PY -0.00227 -0.00446 -0.00578 -0.00797 -0.01316 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.01146 -0.00418 -0.08042 -0.14114 0.00892 34 3PX 0.00603 -0.00311 -0.00364 -0.00563 0.12170 35 3PY -0.00380 -0.00680 0.00097 -0.00076 -0.01540 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00613 -0.00147 -0.06972 -0.10042 -0.00345 38 4PX 0.00392 -0.00201 -0.00338 -0.00436 0.07428 39 4PY -0.00220 -0.00501 0.00055 -0.00158 -0.01303 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S 0.00173 -0.00110 -0.02621 -0.03670 -0.03272 42 5PX -0.00076 -0.00054 0.00231 0.00248 -0.00116 43 5PY -0.00083 -0.00015 0.00202 0.00321 0.00224 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00025 -0.00021 -0.00001 -0.00020 -0.00330 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 0.00026 -0.00018 -0.00053 -0.00087 0.00476 49 6D-2 0.00002 0.00033 0.00019 0.00052 -0.00077 50 7D 0 -0.00049 -0.00044 0.00446 0.00484 -0.00204 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 0.00025 -0.00031 0.00016 0.00006 0.00476 54 7D-2 0.00021 0.00093 -0.00217 -0.00222 -0.00385 55 3 Cl 1S 0.00042 -0.00025 0.00003 0.00010 -0.00055 56 2S 0.00122 -0.00074 0.00011 0.00032 -0.00155 57 3S -0.00231 0.00139 -0.00041 -0.00098 0.00298 58 4S -0.00379 0.00203 -0.00068 -0.00155 0.00586 59 5S 0.00396 -0.00160 0.00254 0.00495 -0.00830 60 6S 0.00298 -0.00380 0.01108 0.01527 0.00097 61 7S -0.00263 -0.00164 0.01602 0.02229 0.01985 62 7PX -0.00015 -0.00036 0.00128 0.00216 0.00528 63 7PY -0.00104 -0.00086 0.00484 0.00717 0.00757 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00075 -0.00124 0.00487 0.00756 0.01246 66 8PY -0.00232 -0.00484 0.00900 0.01405 0.01972 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX -0.00029 0.00047 -0.00180 -0.00279 -0.00468 69 9PY 0.00086 0.00181 -0.00338 -0.00525 -0.00735 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX -0.00106 0.00171 -0.00519 -0.00799 -0.01508 72 10PY 0.00240 0.00574 -0.00925 -0.01446 -0.02175 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX -0.00224 0.00346 -0.00993 -0.01608 -0.03132 75 11PY 0.00516 0.01183 -0.01897 -0.03045 -0.04598 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX -0.00291 0.00132 -0.00087 -0.00230 -0.02769 78 12PY 0.00269 0.00586 -0.00320 -0.00633 -0.01471 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 -0.00021 -0.00025 0.00127 0.00201 0.00126 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 -0.00028 0.00120 0.00194 0.00468 84 13D-2 0.00040 0.00034 -0.00178 -0.00282 0.00034 85 14D 0 -0.00043 -0.00040 0.00220 0.00366 0.00226 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 -0.00010 -0.00045 0.00291 0.00451 0.00932 89 14D-2 0.00083 0.00057 -0.00326 -0.00541 0.00116 90 4 H 1S -0.00005 -0.00228 -0.01991 -0.03098 -0.02667 91 2S -0.00018 -0.00301 -0.03169 -0.04505 -0.03808 92 3S -0.00149 -0.00127 0.00634 0.00677 -0.01015 93 4PX 0.00025 -0.00025 -0.00248 -0.00318 0.00282 94 4PY -0.00022 -0.00012 0.00315 0.00399 0.00137 95 4PZ -0.00010 0.00028 0.00578 0.00733 0.00395 96 5 H 1S -0.00005 -0.00228 -0.01991 -0.03098 -0.02667 97 2S -0.00018 -0.00301 -0.03169 -0.04505 -0.03808 98 3S -0.00149 -0.00127 0.00634 0.00677 -0.01015 99 4PX 0.00025 -0.00025 -0.00248 -0.00318 0.00282 100 4PY -0.00022 -0.00012 0.00315 0.00399 0.00137 101 4PZ 0.00010 -0.00028 -0.00578 -0.00733 -0.00395 102 6 H 1S -0.00211 0.00230 0.00383 0.00635 -0.00582 103 2S -0.00279 0.00364 0.00258 0.00616 -0.01166 104 3S -0.00143 0.00198 0.00383 0.00604 -0.01154 105 4PX -0.00020 -0.00007 0.00090 0.00130 -0.00322 106 4PY 0.00022 -0.00025 0.00019 -0.00011 0.00075 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.00101 -0.00046 0.00248 0.00406 -0.00882 109 2S -0.00148 -0.00074 0.00343 0.00594 -0.01429 110 3S -0.00077 -0.00065 0.00229 0.00335 -0.00980 111 4PX -0.00027 0.00017 0.00072 0.00112 -0.00355 112 4PY -0.00011 0.00005 0.00027 0.00042 0.00010 113 4PZ 0.00009 0.00006 -0.00006 -0.00025 0.00078 114 8 H 1S -0.00101 -0.00046 0.00248 0.00406 -0.00882 115 2S -0.00148 -0.00074 0.00343 0.00594 -0.01429 116 3S -0.00077 -0.00065 0.00229 0.00335 -0.00980 117 4PX -0.00027 0.00017 0.00072 0.00112 -0.00355 118 4PY -0.00011 0.00005 0.00027 0.00042 0.00010 119 4PZ -0.00009 -0.00006 0.00006 0.00025 -0.00078 31 32 33 34 35 31 2PY 0.06293 32 2PZ 0.00000 0.09389 33 3S 0.01715 0.00000 0.43085 34 3PX -0.01582 0.00000 0.01720 0.17947 35 3PY 0.09556 0.00000 0.00723 -0.01738 0.14634 36 3PZ 0.00000 0.12903 0.00000 0.00000 0.00000 37 4S 0.00862 0.00000 0.24681 -0.00309 0.00175 38 4PX -0.01093 0.00000 0.01046 0.10951 -0.01262 39 4PY 0.06610 0.00000 0.01037 -0.01547 0.10078 40 4PZ 0.00000 0.07811 0.00000 0.00000 0.00000 41 5S 0.01991 0.00000 0.08668 -0.04707 0.02468 42 5PX 0.01038 0.00000 -0.00301 -0.00119 0.01611 43 5PY 0.00363 0.00000 -0.00879 0.00354 0.00611 44 5PZ 0.00000 0.00697 0.00000 0.00000 0.00000 45 6D 0 0.00390 0.00000 0.00104 -0.00465 0.00578 46 6D+1 0.00000 -0.00385 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00521 0.00000 0.00000 0.00000 48 6D+2 0.00052 0.00000 0.00252 0.00708 0.00102 49 6D-2 -0.00279 0.00000 -0.00208 -0.00134 -0.00428 50 7D 0 0.00659 0.00000 -0.00669 -0.00269 0.01041 51 7D+1 0.00000 -0.00382 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00096 0.00000 0.00000 0.00000 53 7D+2 0.00332 0.00000 0.00027 0.00715 0.00552 54 7D-2 -0.00612 0.00000 0.00242 -0.00618 -0.00983 55 3 Cl 1S -0.00144 0.00000 -0.00037 -0.00081 -0.00249 56 2S -0.00408 0.00000 -0.00116 -0.00229 -0.00707 57 3S 0.00798 0.00000 0.00339 0.00442 0.01365 58 4S 0.01601 0.00000 0.00570 0.00889 0.02675 59 5S -0.02562 0.00000 -0.01805 -0.01323 -0.04063 60 6S -0.00045 0.00000 -0.03691 0.00183 -0.00028 61 7S 0.02372 0.00000 -0.05197 0.03045 0.04035 62 7PX 0.00554 0.00000 -0.00641 0.00800 0.00927 63 7PY 0.01122 0.00000 -0.01824 0.01177 0.01868 64 7PZ 0.00000 -0.00224 0.00000 0.00000 0.00000 65 8PX 0.02136 0.00000 -0.02108 0.01898 0.03552 66 8PY 0.04635 0.00000 -0.03826 0.03215 0.07481 67 8PZ 0.00000 0.00447 0.00000 0.00000 0.00000 68 9PX -0.00796 0.00000 0.00781 -0.00713 -0.01324 69 9PY -0.01733 0.00000 0.01418 -0.01199 -0.02794 70 9PZ 0.00000 -0.00170 0.00000 0.00000 0.00000 71 10PX -0.02380 0.00000 0.02222 -0.02282 -0.03935 72 10PY -0.05312 0.00000 0.03959 -0.03545 -0.08493 73 10PZ 0.00000 -0.00669 0.00000 0.00000 0.00000 74 11PX -0.04973 0.00000 0.04726 -0.04737 -0.08229 75 11PY -0.11021 0.00000 0.08573 -0.07481 -0.17647 76 11PZ 0.00000 -0.01262 0.00000 0.00000 0.00000 77 12PX -0.01583 0.00000 0.00991 -0.04085 -0.02757 78 12PY -0.05505 0.00000 0.02149 -0.02541 -0.08656 79 12PZ 0.00000 -0.02271 0.00000 0.00000 0.00000 80 13D 0 0.00302 0.00000 -0.00557 0.00200 0.00501 81 13D+1 0.00000 0.00175 0.00000 0.00000 0.00000 82 13D-1 0.00000 0.00439 0.00000 0.00000 0.00000 83 13D+2 0.00136 0.00000 -0.00538 0.00699 0.00264 84 13D-2 -0.00528 0.00000 0.00791 0.00028 -0.00851 85 14D 0 0.00562 0.00000 -0.01065 0.00359 0.00933 86 14D+1 0.00000 0.00336 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.01054 0.00000 0.00000 0.00000 88 14D+2 0.00222 0.00000 -0.01201 0.01387 0.00458 89 14D-2 -0.01006 0.00000 0.01588 0.00129 -0.01624 90 4 H 1S 0.03387 0.06565 0.08284 -0.03696 0.04675 91 2S 0.04445 0.09758 0.10744 -0.05303 0.06111 92 3S 0.01699 0.03876 -0.00915 -0.01395 0.02600 93 4PX 0.00128 0.00468 0.00650 0.00430 0.00185 94 4PY 0.00158 -0.00532 -0.00799 0.00206 0.00291 95 4PZ -0.00429 -0.00457 -0.01452 0.00550 -0.00567 96 5 H 1S 0.03387 -0.06565 0.08284 -0.03696 0.04675 97 2S 0.04445 -0.09758 0.10744 -0.05303 0.06111 98 3S 0.01699 -0.03876 -0.00915 -0.01395 0.02600 99 4PX 0.00128 -0.00468 0.00650 0.00430 0.00185 100 4PY 0.00158 0.00532 -0.00799 0.00206 0.00291 101 4PZ 0.00429 -0.00457 0.01452 -0.00550 0.00567 102 6 H 1S 0.00117 0.00000 -0.02000 -0.00907 0.00213 103 2S -0.00132 0.00000 -0.02544 -0.01808 -0.00199 104 3S -0.00429 0.00000 -0.01689 -0.01770 -0.00680 105 4PX 0.00064 0.00000 -0.00318 -0.00472 0.00094 106 4PY 0.00008 0.00000 0.00182 0.00116 0.00011 107 4PZ 0.00000 -0.00019 0.00000 0.00000 0.00000 108 7 H 1S 0.00136 -0.00522 -0.01293 -0.01272 0.00233 109 2S 0.00304 -0.00784 -0.01962 -0.02063 0.00495 110 3S 0.00753 -0.01676 -0.00872 -0.01403 0.01150 111 4PX 0.00053 0.00014 -0.00310 -0.00527 0.00073 112 4PY 0.00034 0.00000 -0.00127 0.00016 0.00059 113 4PZ 0.00017 -0.00024 0.00136 0.00112 0.00022 114 8 H 1S 0.00136 0.00522 -0.01293 -0.01272 0.00233 115 2S 0.00304 0.00784 -0.01962 -0.02063 0.00495 116 3S 0.00753 0.01676 -0.00872 -0.01403 0.01150 117 4PX 0.00053 -0.00014 -0.00310 -0.00527 0.00073 118 4PY 0.00034 -0.00000 -0.00127 0.00016 0.00059 119 4PZ -0.00017 -0.00024 -0.00136 -0.00112 -0.00022 36 37 38 39 40 36 3PZ 0.17740 37 4S 0.00000 0.15764 38 4PX 0.00000 -0.00374 0.06773 39 4PY 0.00000 -0.00079 -0.00955 0.07317 40 4PZ 0.10753 0.00000 0.00000 0.00000 0.06679 41 5S 0.00000 0.05672 -0.02573 0.02353 0.00000 42 5PX 0.00000 0.00207 -0.00125 0.00784 0.00000 43 5PY 0.00000 -0.00381 0.00106 0.00057 0.00000 44 5PZ 0.00978 0.00000 0.00000 0.00000 0.00697 45 6D 0 0.00000 0.00108 -0.00290 0.00391 0.00000 46 6D+1 -0.00526 0.00000 0.00000 0.00000 -0.00355 47 6D-1 0.00707 0.00000 0.00000 0.00000 0.00414 48 6D+2 0.00000 0.00152 0.00416 0.00056 0.00000 49 6D-2 0.00000 -0.00138 -0.00078 -0.00284 0.00000 50 7D 0 0.00000 -0.00332 -0.00171 0.00700 0.00000 51 7D+1 -0.00535 0.00000 0.00000 0.00000 -0.00492 52 7D-1 0.00091 0.00000 0.00000 0.00000 -0.00016 53 7D+2 0.00000 0.00159 0.00402 0.00412 0.00000 54 7D-2 0.00000 0.00252 -0.00392 -0.00640 0.00000 55 3 Cl 1S 0.00000 -0.00784 0.00114 0.00213 0.00000 56 2S 0.00000 -0.02266 0.00331 0.00619 0.00000 57 3S 0.00000 0.04503 -0.00635 -0.01223 0.00000 58 4S 0.00000 0.07693 -0.00971 -0.01878 0.00000 59 5S 0.00000 -0.10461 0.00998 0.01994 0.00000 60 6S 0.00000 -0.11543 0.01846 0.04635 0.00000 61 7S 0.00000 -0.02720 0.01545 0.01825 0.00000 62 7PX 0.00000 -0.00134 0.00418 0.00531 0.00000 63 7PY 0.00000 -0.00898 0.00596 0.00907 0.00000 64 7PZ -0.00340 0.00000 0.00000 0.00000 -0.00307 65 8PX 0.00000 -0.00579 0.01157 0.03078 0.00000 66 8PY 0.00000 -0.03905 0.02077 0.05237 0.00000 67 8PZ 0.00332 0.00000 0.00000 0.00000 -0.00661 68 9PX 0.00000 0.00206 -0.00434 -0.01147 0.00000 69 9PY 0.00000 0.01450 -0.00773 -0.01952 0.00000 70 9PZ -0.00127 0.00000 0.00000 0.00000 0.00249 71 10PX 0.00000 0.00480 -0.01369 -0.03376 0.00000 72 10PY 0.00000 0.04148 -0.02267 -0.05879 0.00000 73 10PZ -0.00586 0.00000 0.00000 0.00000 0.00672 74 11PX 0.00000 0.00921 -0.02831 -0.07060 0.00000 75 11PY 0.00000 0.08778 -0.04763 -0.12144 0.00000 76 11PZ -0.01022 0.00000 0.00000 0.00000 0.01572 77 12PX 0.00000 -0.00907 -0.02460 -0.02731 0.00000 78 12PY 0.00000 0.02995 -0.01625 -0.05799 0.00000 79 12PZ -0.02650 0.00000 0.00000 0.00000 -0.00180 80 13D 0 0.00000 -0.00354 0.00116 0.00333 0.00000 81 13D+1 0.00244 0.00000 0.00000 0.00000 0.00152 82 13D-1 0.00607 0.00000 0.00000 0.00000 0.00387 83 13D+2 0.00000 -0.00390 0.00428 0.00160 0.00000 84 13D-2 0.00000 0.00467 0.00030 -0.00584 0.00000 85 14D 0 0.00000 -0.00606 0.00192 0.00582 0.00000 86 14D+1 0.00471 0.00000 0.00000 0.00000 0.00293 87 14D-1 0.01458 0.00000 0.00000 0.00000 0.00922 88 14D+2 0.00000 -0.00784 0.00832 0.00225 0.00000 89 14D-2 0.00000 0.00820 0.00124 -0.01067 0.00000 90 4 H 1S 0.08998 0.04934 -0.02303 0.03388 0.05461 91 2S 0.13358 0.06249 -0.03261 0.04499 0.08044 92 3S 0.05228 -0.00763 -0.00853 0.01783 0.03073 93 4PX 0.00642 0.00331 0.00263 0.00127 0.00390 94 4PY -0.00729 -0.00484 0.00120 0.00185 -0.00437 95 4PZ -0.00626 -0.00864 0.00340 -0.00424 -0.00374 96 5 H 1S -0.08998 0.04934 -0.02303 0.03388 -0.05461 97 2S -0.13358 0.06249 -0.03261 0.04499 -0.08044 98 3S -0.05228 -0.00763 -0.00853 0.01783 -0.03073 99 4PX -0.00642 0.00331 0.00263 0.00127 -0.00390 100 4PY 0.00729 -0.00484 0.00120 0.00185 0.00437 101 4PZ -0.00626 0.00864 -0.00340 0.00424 -0.00374 102 6 H 1S 0.00000 -0.01648 -0.01069 -0.00260 0.00000 103 2S 0.00000 -0.02161 -0.01776 -0.00661 0.00000 104 3S 0.00000 -0.01050 -0.01247 -0.00788 0.00000 105 4PX 0.00000 -0.00132 -0.00261 0.00087 0.00000 106 4PY 0.00000 0.00177 0.00137 0.00030 0.00000 107 4PZ -0.00021 0.00000 0.00000 0.00000 -0.00068 108 7 H 1S -0.00640 -0.00765 -0.00933 0.00384 -0.01020 109 2S -0.00954 -0.01110 -0.01436 0.00663 -0.01456 110 3S -0.02246 -0.00330 -0.00830 0.00908 -0.01671 111 4PX 0.00014 -0.00139 -0.00327 0.00038 0.00044 112 4PY 0.00007 -0.00092 -0.00025 0.00024 -0.00055 113 4PZ -0.00038 0.00088 0.00092 -0.00019 0.00015 114 8 H 1S 0.00640 -0.00765 -0.00933 0.00384 0.01020 115 2S 0.00954 -0.01110 -0.01436 0.00663 0.01456 116 3S 0.02246 -0.00330 -0.00830 0.00908 0.01671 117 4PX -0.00014 -0.00139 -0.00327 0.00038 -0.00044 118 4PY -0.00007 -0.00092 -0.00025 0.00024 0.00055 119 4PZ -0.00038 -0.00088 -0.00092 0.00019 0.00015 41 42 43 44 45 41 5S 0.06930 42 5PX 0.00045 0.00633 43 5PY -0.01265 0.00440 0.00615 44 5PZ 0.00000 0.00000 0.00000 0.00136 45 6D 0 0.00210 0.00085 0.00033 0.00000 0.00035 46 6D+1 0.00000 0.00000 0.00000 -0.00045 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00019 0.00000 48 6D+2 -0.00072 -0.00013 -0.00019 0.00000 -0.00013 49 6D-2 -0.00020 -0.00060 -0.00041 0.00000 -0.00018 50 7D 0 0.00118 0.00146 0.00059 0.00000 0.00047 51 7D+1 0.00000 0.00000 0.00000 -0.00133 0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.00086 0.00000 53 7D+2 0.00303 -0.00076 -0.00189 0.00000 -0.00005 54 7D-2 0.00452 -0.00187 -0.00231 0.00000 -0.00040 55 3 Cl 1S 0.00357 -0.00434 -0.00375 0.00000 -0.00023 56 2S 0.01029 -0.01249 -0.01079 0.00000 -0.00065 57 3S -0.01914 0.02356 0.02041 0.00000 0.00131 58 4S -0.03040 0.03830 0.03316 0.00000 0.00249 59 5S 0.02835 -0.04123 -0.03575 0.00000 -0.00395 60 6S 0.02608 -0.03702 -0.03355 0.00000 -0.00272 61 7S -0.03427 0.01346 0.01535 0.00000 0.00108 62 7PX -0.00037 0.00123 0.00017 0.00000 0.00012 63 7PY -0.01247 0.00570 0.00618 0.00000 0.00058 64 7PZ 0.00000 0.00000 0.00000 -0.00115 0.00000 65 8PX 0.03504 -0.00634 -0.01682 0.00000 0.00007 66 8PY -0.02133 0.01046 0.01075 0.00000 0.00214 67 8PZ 0.00000 0.00000 0.00000 -0.00846 0.00000 68 9PX -0.01315 0.00239 0.00632 0.00000 -0.00003 69 9PY 0.00802 -0.00393 -0.00406 0.00000 -0.00080 70 9PZ 0.00000 0.00000 0.00000 0.00318 0.00000 71 10PX -0.03859 0.00747 0.01904 0.00000 -0.00005 72 10PY 0.02397 -0.01186 -0.01248 0.00000 -0.00254 73 10PZ 0.00000 0.00000 0.00000 0.00956 0.00000 74 11PX -0.08271 0.01580 0.04055 0.00000 -0.00009 75 11PY 0.05238 -0.02550 -0.02704 0.00000 -0.00528 76 11PZ 0.00000 0.00000 0.00000 0.02059 0.00000 77 12PX -0.05338 0.01264 0.02768 0.00000 0.00099 78 12PY 0.02638 -0.01513 -0.01694 0.00000 -0.00314 79 12PZ 0.00000 0.00000 0.00000 0.01240 0.00000 80 13D 0 -0.00110 0.00061 0.00041 0.00000 0.00012 81 13D+1 0.00000 0.00000 0.00000 0.00020 0.00000 82 13D-1 0.00000 0.00000 0.00000 0.00049 0.00000 83 13D+2 -0.00318 0.00048 0.00066 0.00000 -0.00005 84 13D-2 0.00012 -0.00082 -0.00030 0.00000 -0.00029 85 14D 0 -0.00230 0.00147 0.00105 0.00000 0.00025 86 14D+1 0.00000 0.00000 0.00000 0.00042 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00112 0.00000 88 14D+2 -0.00725 0.00126 0.00171 0.00000 -0.00012 89 14D-2 0.00033 -0.00191 -0.00083 0.00000 -0.00058 90 4 H 1S 0.03210 0.00447 -0.00011 0.00464 0.00283 91 2S 0.04219 0.00555 -0.00010 0.00632 0.00380 92 3S -0.00218 0.00382 0.00389 0.00103 0.00142 93 4PX 0.00038 0.00022 0.00012 0.00035 -0.00001 94 4PY -0.00183 0.00040 0.00034 -0.00035 0.00004 95 4PZ -0.00530 -0.00042 0.00024 -0.00029 -0.00037 96 5 H 1S 0.03210 0.00447 -0.00011 -0.00464 0.00283 97 2S 0.04219 0.00555 -0.00010 -0.00632 0.00380 98 3S -0.00218 0.00382 0.00389 -0.00103 0.00142 99 4PX 0.00038 0.00022 0.00012 -0.00035 -0.00001 100 4PY -0.00183 0.00040 0.00034 0.00035 0.00004 101 4PZ 0.00530 0.00042 -0.00024 -0.00029 0.00037 102 6 H 1S -0.02641 -0.00177 0.00503 0.00000 -0.00069 103 2S -0.03212 -0.00271 0.00594 0.00000 -0.00107 104 3S -0.00825 0.00209 0.00380 0.00000 -0.00022 105 4PX 0.00118 0.00027 0.00003 0.00000 0.00020 106 4PY 0.00356 0.00081 -0.00030 0.00000 0.00010 107 4PZ 0.00000 0.00000 0.00000 -0.00024 0.00000 108 7 H 1S -0.01473 -0.00664 -0.00068 -0.00271 0.00036 109 2S -0.01759 -0.00842 -0.00101 -0.00358 0.00069 110 3S 0.00406 0.00014 -0.00059 -0.00211 0.00086 111 4PX 0.00093 0.00033 0.00012 0.00013 0.00012 112 4PY -0.00207 -0.00031 0.00024 -0.00023 -0.00003 113 4PZ 0.00239 0.00112 0.00016 0.00011 -0.00001 114 8 H 1S -0.01473 -0.00664 -0.00068 0.00271 0.00036 115 2S -0.01759 -0.00842 -0.00101 0.00358 0.00069 116 3S 0.00406 0.00014 -0.00059 0.00211 0.00086 117 4PX 0.00093 0.00033 0.00012 -0.00013 0.00012 118 4PY -0.00207 -0.00031 0.00024 0.00023 -0.00003 119 4PZ -0.00239 -0.00112 -0.00016 0.00011 0.00001 46 47 48 49 50 46 6D+1 0.00027 47 6D-1 -0.00023 0.00037 48 6D+2 0.00000 0.00000 0.00040 49 6D-2 0.00000 0.00000 -0.00010 0.00030 50 7D 0 0.00000 0.00000 -0.00001 -0.00039 0.00102 51 7D+1 0.00055 -0.00010 0.00000 0.00000 0.00000 52 7D-1 -0.00009 0.00044 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 0.00073 -0.00017 0.00038 54 7D-2 0.00000 0.00000 -0.00011 0.00088 -0.00109 55 3 Cl 1S 0.00000 0.00000 -0.00022 0.00032 -0.00054 56 2S 0.00000 0.00000 -0.00062 0.00092 -0.00154 57 3S 0.00000 0.00000 0.00125 -0.00184 0.00297 58 4S 0.00000 0.00000 0.00237 -0.00349 0.00531 59 5S 0.00000 0.00000 -0.00369 0.00552 -0.00706 60 6S 0.00000 0.00000 -0.00255 0.00389 -0.00371 61 7S 0.00000 0.00000 0.00088 -0.00168 0.00362 62 7PX 0.00000 0.00000 0.00068 -0.00028 0.00076 63 7PY 0.00000 0.00000 0.00038 -0.00087 0.00170 64 7PZ 0.00018 0.00018 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 0.00336 -0.00036 0.00319 66 8PY 0.00000 0.00000 0.00055 -0.00303 0.00627 67 8PZ 0.00048 0.00301 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 -0.00127 0.00013 -0.00118 69 9PY 0.00000 0.00000 -0.00020 0.00114 -0.00233 70 9PZ -0.00018 -0.00114 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 -0.00399 0.00041 -0.00320 72 10PY 0.00000 0.00000 -0.00063 0.00356 -0.00657 73 10PZ -0.00051 -0.00361 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 -0.00846 0.00082 -0.00678 75 11PY 0.00000 0.00000 -0.00127 0.00740 -0.01375 76 11PZ -0.00116 -0.00762 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 -0.00583 0.00011 -0.00239 78 12PY 0.00000 0.00000 0.00018 0.00401 -0.00669 79 12PZ -0.00012 -0.00582 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.00011 -0.00015 0.00044 81 13D+1 -0.00006 0.00006 0.00000 0.00000 0.00000 82 13D-1 -0.00021 0.00020 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.00024 -0.00019 0.00027 84 13D-2 0.00000 0.00000 -0.00009 0.00022 -0.00074 85 14D 0 0.00000 0.00000 0.00022 -0.00028 0.00083 86 14D+1 -0.00010 0.00010 0.00000 0.00000 0.00000 87 14D-1 -0.00048 0.00049 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00049 -0.00034 0.00051 89 14D-2 0.00000 0.00000 -0.00018 0.00043 -0.00147 90 4 H 1S -0.00287 0.00386 -0.00069 -0.00154 0.00230 91 2S -0.00419 0.00590 -0.00125 -0.00197 0.00298 92 3S -0.00194 0.00308 -0.00074 -0.00110 0.00233 93 4PX -0.00020 0.00026 0.00020 -0.00013 -0.00001 94 4PY 0.00021 -0.00031 0.00009 -0.00008 0.00034 95 4PZ 0.00018 -0.00027 0.00010 0.00017 -0.00018 96 5 H 1S 0.00287 -0.00386 -0.00069 -0.00154 0.00230 97 2S 0.00419 -0.00590 -0.00125 -0.00197 0.00298 98 3S 0.00194 -0.00308 -0.00074 -0.00110 0.00233 99 4PX 0.00020 -0.00026 0.00020 -0.00013 -0.00001 100 4PY -0.00021 0.00031 0.00009 -0.00008 0.00034 101 4PZ 0.00018 -0.00027 -0.00010 -0.00017 0.00018 102 6 H 1S 0.00000 0.00000 -0.00003 0.00268 -0.00247 103 2S 0.00000 0.00000 -0.00035 0.00421 -0.00398 104 3S 0.00000 0.00000 -0.00107 0.00197 -0.00158 105 4PX 0.00000 0.00000 -0.00024 -0.00018 0.00036 106 4PY 0.00000 0.00000 -0.00004 -0.00027 0.00031 107 4PZ 0.00019 -0.00005 0.00000 0.00000 0.00000 108 7 H 1S 0.00242 -0.00095 -0.00001 -0.00127 0.00105 109 2S 0.00349 -0.00150 -0.00020 -0.00187 0.00178 110 3S 0.00189 -0.00144 -0.00039 -0.00088 0.00168 111 4PX -0.00014 0.00005 -0.00023 0.00013 0.00007 112 4PY 0.00020 -0.00005 0.00006 0.00005 -0.00005 113 4PZ -0.00013 0.00003 -0.00003 0.00017 -0.00009 114 8 H 1S -0.00242 0.00095 -0.00001 -0.00127 0.00105 115 2S -0.00349 0.00150 -0.00020 -0.00187 0.00178 116 3S -0.00189 0.00144 -0.00039 -0.00088 0.00168 117 4PX 0.00014 -0.00005 -0.00023 0.00013 0.00007 118 4PY -0.00020 0.00005 0.00006 0.00005 -0.00005 119 4PZ -0.00013 0.00003 0.00003 -0.00017 0.00009 51 52 53 54 55 51 7D+1 0.00193 52 7D-1 0.00056 0.00176 53 7D+2 0.00000 0.00000 0.00234 54 7D-2 0.00000 0.00000 0.00038 0.00341 55 3 Cl 1S 0.00000 0.00000 -0.00038 0.00060 0.37148 56 2S 0.00000 0.00000 -0.00109 0.00173 0.62660 57 3S 0.00000 0.00000 0.00218 -0.00345 -0.12615 58 4S 0.00000 0.00000 0.00417 -0.00653 -0.18389 59 5S 0.00000 0.00000 -0.00645 0.01004 0.03554 60 6S 0.00000 0.00000 -0.00355 0.00555 0.05171 61 7S 0.00000 0.00000 -0.00100 -0.00721 -0.01156 62 7PX 0.00000 0.00000 0.00189 -0.00023 -0.00218 63 7PY 0.00000 0.00000 -0.00028 -0.00341 -0.00465 64 7PZ 0.00105 0.00140 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 0.01448 0.00453 0.00080 66 8PY 0.00000 0.00000 -0.00098 -0.01317 0.00159 67 8PZ 0.00810 0.01293 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 -0.00544 -0.00172 -0.00027 69 9PY 0.00000 0.00000 0.00040 0.00492 -0.00053 70 9PZ -0.00305 -0.00487 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 -0.01646 -0.00546 -0.00105 72 10PY 0.00000 0.00000 0.00172 0.01452 -0.00208 73 10PZ -0.00936 -0.01490 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 -0.03508 -0.01187 -0.00163 75 11PY 0.00000 0.00000 0.00387 0.03046 -0.00329 76 11PZ -0.02008 -0.03187 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 -0.02268 -0.00914 0.00030 78 12PY 0.00000 0.00000 0.00472 0.01668 0.00072 79 12PZ -0.01244 -0.02115 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.00030 -0.00051 0.00003 81 13D+1 -0.00010 -0.00013 0.00000 0.00000 0.00000 82 13D-1 -0.00037 -0.00016 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 0.00024 -0.00084 0.00003 84 13D-2 0.00000 0.00000 -0.00054 0.00057 -0.00004 85 14D 0 0.00000 0.00000 0.00057 -0.00089 -0.00062 86 14D+1 -0.00018 -0.00035 0.00000 0.00000 0.00000 87 14D-1 -0.00081 -0.00032 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00042 -0.00157 -0.00067 89 14D-2 0.00000 0.00000 -0.00112 0.00106 0.00092 90 4 H 1S -0.00292 0.00161 -0.00014 -0.00191 -0.00074 91 2S -0.00373 0.00316 -0.00097 -0.00269 0.00022 92 3S -0.00101 0.00458 -0.00156 -0.00416 -0.00032 93 4PX -0.00020 0.00005 0.00018 -0.00031 -0.00002 94 4PY 0.00017 -0.00012 0.00026 -0.00036 -0.00013 95 4PZ 0.00013 -0.00011 0.00004 0.00004 -0.00002 96 5 H 1S 0.00292 -0.00161 -0.00014 -0.00191 -0.00074 97 2S 0.00373 -0.00316 -0.00097 -0.00269 0.00022 98 3S 0.00101 -0.00458 -0.00156 -0.00416 -0.00032 99 4PX 0.00020 -0.00005 0.00018 -0.00031 -0.00002 100 4PY -0.00017 0.00012 0.00026 -0.00036 -0.00013 101 4PZ 0.00013 -0.00011 -0.00004 -0.00004 0.00002 102 6 H 1S 0.00000 0.00000 -0.00076 0.00879 0.00066 103 2S 0.00000 0.00000 -0.00155 0.01387 0.00199 104 3S 0.00000 0.00000 -0.00295 0.00576 0.00009 105 4PX 0.00000 0.00000 -0.00030 -0.00072 -0.00011 106 4PY 0.00000 0.00000 -0.00009 -0.00092 -0.00024 107 4PZ 0.00062 -0.00017 0.00000 0.00000 0.00000 108 7 H 1S 0.00739 -0.00269 0.00137 -0.00430 -0.00036 109 2S 0.01035 -0.00441 0.00168 -0.00635 -0.00044 110 3S 0.00430 -0.00230 0.00046 -0.00263 -0.00062 111 4PX -0.00041 0.00019 -0.00027 0.00045 -0.00002 112 4PY 0.00066 -0.00021 0.00014 0.00017 -0.00010 113 4PZ -0.00043 0.00019 -0.00025 0.00059 0.00002 114 8 H 1S -0.00739 0.00269 0.00137 -0.00430 -0.00036 115 2S -0.01035 0.00441 0.00168 -0.00635 -0.00044 116 3S -0.00430 0.00230 0.00046 -0.00263 -0.00062 117 4PX 0.00041 -0.00019 -0.00027 0.00045 -0.00002 118 4PY -0.00066 0.00021 0.00014 0.00017 -0.00010 119 4PZ -0.00043 0.00019 0.00025 -0.00059 -0.00002 56 57 58 59 60 56 2S 1.09379 57 3S -0.35529 0.59637 58 4S -0.49579 0.79328 1.08849 59 5S 0.10278 -0.22475 -0.45181 0.80908 60 6S 0.14826 -0.29602 -0.52922 0.75589 0.73384 61 7S -0.03327 0.06188 0.09847 -0.09646 -0.08078 62 7PX -0.00626 0.01175 0.01901 -0.01975 -0.01586 63 7PY -0.01339 0.02515 0.04073 -0.04258 -0.03532 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 65 8PX 0.00230 -0.00493 -0.00807 0.01232 0.02767 66 8PY 0.00459 -0.00978 -0.01618 0.02497 0.05177 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX -0.00079 0.00174 0.00288 -0.00455 -0.01025 69 9PY -0.00157 0.00347 0.00582 -0.00925 -0.01920 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX -0.00302 0.00629 0.01057 -0.01565 -0.03213 72 10PY -0.00595 0.01235 0.02100 -0.03127 -0.06028 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX -0.00475 0.01039 0.01759 -0.02783 -0.06247 75 11PY -0.00958 0.02086 0.03598 -0.05745 -0.11797 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00087 -0.00098 -0.00088 -0.00417 -0.01969 78 12PY 0.00208 -0.00263 -0.00251 -0.00794 -0.03492 79 12PZ 0.00000 0.00000 0.00000 0.00000 0.00000 80 13D 0 0.00007 -0.00004 0.00031 -0.00136 0.00072 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 0.00009 -0.00008 0.00025 -0.00131 0.00071 84 13D-2 -0.00011 0.00010 -0.00038 0.00186 -0.00116 85 14D 0 -0.00179 0.00342 0.00600 -0.00747 -0.00373 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 -0.00191 0.00365 0.00637 -0.00775 -0.00405 89 14D-2 0.00263 -0.00503 -0.00885 0.01109 0.00548 90 4 H 1S -0.00212 0.00436 0.00825 -0.01452 -0.00940 91 2S 0.00065 -0.00088 -0.00011 -0.00642 -0.00042 92 3S -0.00090 0.00163 0.00300 -0.00374 0.00286 93 4PX -0.00007 0.00014 0.00031 -0.00066 0.00001 94 4PY -0.00037 0.00067 0.00111 -0.00093 0.00057 95 4PZ -0.00005 0.00005 -0.00004 0.00078 0.00056 96 5 H 1S -0.00212 0.00436 0.00825 -0.01452 -0.00940 97 2S 0.00065 -0.00088 -0.00011 -0.00642 -0.00042 98 3S -0.00090 0.00163 0.00300 -0.00374 0.00286 99 4PX -0.00007 0.00014 0.00031 -0.00066 0.00001 100 4PY -0.00037 0.00067 0.00111 -0.00093 0.00057 101 4PZ 0.00005 -0.00005 0.00004 -0.00078 -0.00056 102 6 H 1S 0.00189 -0.00388 -0.00733 0.01278 0.00901 103 2S 0.00573 -0.01129 -0.01993 0.02864 0.02080 104 3S 0.00024 -0.00059 -0.00185 0.00543 -0.00069 105 4PX -0.00031 0.00060 0.00102 -0.00130 -0.00109 106 4PY -0.00068 0.00132 0.00219 -0.00265 -0.00224 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.00103 0.00205 0.00388 -0.00638 -0.00373 109 2S -0.00126 0.00259 0.00518 -0.00941 -0.00530 110 3S -0.00179 0.00335 0.00565 -0.00671 -0.00334 111 4PX -0.00006 0.00010 0.00008 0.00021 -0.00020 112 4PY -0.00028 0.00053 0.00086 -0.00086 -0.00068 113 4PZ 0.00004 -0.00010 -0.00027 0.00069 0.00039 114 8 H 1S -0.00103 0.00205 0.00388 -0.00638 -0.00373 115 2S -0.00126 0.00259 0.00518 -0.00941 -0.00530 116 3S -0.00179 0.00335 0.00565 -0.00671 -0.00334 117 4PX -0.00006 0.00010 0.00008 0.00021 -0.00020 118 4PY -0.00028 0.00053 0.00086 -0.00086 -0.00068 119 4PZ -0.00004 0.00010 0.00027 -0.00069 -0.00039 61 62 63 64 65 61 7S 0.05076 62 7PX 0.00502 0.00228 63 7PY 0.02055 0.00211 0.00848 64 7PZ 0.00000 0.00000 0.00000 0.00135 65 8PX -0.01850 0.01070 -0.00688 0.00000 1.39351 66 8PY 0.04310 0.00263 0.01858 0.00000 -0.01328 67 8PZ 0.00000 0.00000 0.00000 0.01176 0.00000 68 9PX 0.00698 -0.00401 0.00260 0.00000 -0.47587 69 9PY -0.01617 -0.00097 -0.00696 0.00000 0.00517 70 9PZ 0.00000 0.00000 0.00000 -0.00442 0.00000 71 10PX 0.02110 -0.01203 0.00784 0.00000 -0.02871 72 10PY -0.04857 -0.00285 -0.02089 0.00000 0.01624 73 10PZ 0.00000 0.00000 0.00000 -0.01324 0.00000 74 11PX 0.04526 -0.02568 0.01684 0.00000 -0.24141 75 11PY -0.10386 -0.00600 -0.04455 0.00000 0.03560 76 11PZ 0.00000 0.00000 0.00000 -0.02841 0.00000 77 12PX 0.03742 -0.01569 0.01430 0.00000 -0.15275 78 12PY -0.05440 -0.00094 -0.02356 0.00000 0.03789 79 12PZ 0.00000 0.00000 0.00000 -0.01832 0.00000 80 13D 0 0.00270 0.00054 0.00113 0.00000 0.00158 81 13D+1 0.00000 0.00000 0.00000 -0.00016 0.00000 82 13D-1 0.00000 0.00000 0.00000 -0.00031 0.00000 83 13D+2 0.00336 0.00050 0.00139 0.00000 0.00107 84 13D-2 -0.00310 -0.00081 -0.00134 0.00000 -0.00294 85 14D 0 0.00579 0.00115 0.00241 0.00000 0.00314 86 14D+1 0.00000 0.00000 0.00000 -0.00037 0.00000 87 14D-1 0.00000 0.00000 0.00000 -0.00067 0.00000 88 14D+2 0.00765 0.00110 0.00312 0.00000 0.00034 89 14D-2 -0.00664 -0.00177 -0.00287 0.00000 -0.00757 90 4 H 1S -0.00379 -0.00046 -0.00008 -0.00098 -0.00056 91 2S -0.00609 -0.00146 -0.00055 -0.00072 -0.00463 92 3S 0.01088 -0.00030 0.00502 0.00221 -0.00971 93 4PX 0.00071 0.00019 0.00035 -0.00011 0.00019 94 4PY 0.00238 0.00048 0.00095 0.00007 0.00173 95 4PZ 0.00148 0.00018 0.00041 0.00005 0.00016 96 5 H 1S -0.00379 -0.00046 -0.00008 0.00098 -0.00056 97 2S -0.00609 -0.00146 -0.00055 0.00072 -0.00463 98 3S 0.01088 -0.00030 0.00502 -0.00221 -0.00971 99 4PX 0.00071 0.00019 0.00035 0.00011 0.00019 100 4PY 0.00238 0.00048 0.00095 -0.00007 0.00173 101 4PZ -0.00148 -0.00018 -0.00041 0.00005 -0.00016 102 6 H 1S 0.01300 0.00118 0.00255 0.00000 -0.00867 103 2S 0.01404 0.00094 0.00168 0.00000 -0.01307 104 3S 0.00654 -0.00109 0.00097 0.00000 -0.01624 105 4PX -0.00044 -0.00031 0.00002 0.00000 -0.00107 106 4PY -0.00066 -0.00013 0.00001 0.00000 0.00024 107 4PZ 0.00000 0.00000 0.00000 0.00007 0.00000 108 7 H 1S -0.00417 -0.00030 -0.00073 0.00041 0.00404 109 2S -0.00593 -0.00056 -0.00094 0.00014 0.00532 110 3S -0.00094 0.00014 0.00040 -0.00002 0.00460 111 4PX -0.00003 -0.00014 -0.00009 0.00001 -0.00071 112 4PY 0.00078 0.00017 0.00024 0.00005 0.00028 113 4PZ 0.00079 0.00003 0.00019 0.00001 -0.00074 114 8 H 1S -0.00417 -0.00030 -0.00073 -0.00041 0.00404 115 2S -0.00593 -0.00056 -0.00094 -0.00014 0.00532 116 3S -0.00094 0.00014 0.00040 0.00002 0.00460 117 4PX -0.00003 -0.00014 -0.00009 -0.00001 -0.00071 118 4PY 0.00078 0.00017 0.00024 -0.00005 0.00028 119 4PZ -0.00079 -0.00003 -0.00019 0.00001 0.00074 66 67 68 69 70 66 8PY 1.37300 67 8PZ 0.00000 1.40016 68 9PX 0.00517 0.00000 0.16263 69 9PY -0.46792 0.00000 -0.00200 0.15956 70 9PZ 0.00000 -0.47848 0.00000 0.00000 0.16365 71 10PX 0.01625 0.00000 0.01394 -0.00622 0.00000 72 10PY -0.00365 0.00000 -0.00621 0.00438 0.00000 73 10PZ 0.00000 -0.03682 0.00000 0.00000 0.01706 74 11PX 0.03546 0.00000 0.09078 -0.01361 0.00000 75 11PY -0.18682 0.00000 -0.01366 0.06987 0.00000 76 11PZ 0.00000 -0.25949 0.00000 0.00000 0.09774 77 12PX 0.03957 0.00000 0.05749 -0.01501 0.00000 78 12PY -0.09347 0.00000 -0.01437 0.03502 0.00000 79 12PZ 0.00000 -0.17075 0.00000 0.00000 0.06433 80 13D 0 0.00343 0.00000 -0.00060 -0.00129 0.00000 81 13D+1 0.00000 -0.00052 0.00000 0.00000 0.00021 82 13D-1 0.00000 -0.00070 0.00000 0.00000 0.00030 83 13D+2 0.00378 0.00000 -0.00038 -0.00144 0.00000 84 13D-2 -0.00454 0.00000 0.00113 0.00170 0.00000 85 14D 0 0.00667 0.00000 -0.00117 -0.00249 0.00000 86 14D+1 0.00000 -0.00257 0.00000 0.00000 0.00097 87 14D-1 0.00000 -0.00346 0.00000 0.00000 0.00130 88 14D+2 0.00856 0.00000 -0.00012 -0.00320 0.00000 89 14D-2 -0.00824 0.00000 0.00283 0.00308 0.00000 90 4 H 1S 0.00933 0.00856 0.00022 -0.00352 -0.00324 91 2S 0.01377 0.01915 0.00175 -0.00520 -0.00723 92 3S 0.02091 0.03040 0.00368 -0.00784 -0.01146 93 4PX 0.00158 0.00022 -0.00007 -0.00059 -0.00009 94 4PY 0.00285 -0.00080 -0.00064 -0.00106 0.00030 95 4PZ -0.00021 -0.00074 -0.00006 0.00008 0.00028 96 5 H 1S 0.00933 -0.00856 0.00022 -0.00352 0.00324 97 2S 0.01377 -0.01915 0.00175 -0.00520 0.00723 98 3S 0.02091 -0.03040 0.00368 -0.00784 0.01146 99 4PX 0.00158 -0.00022 -0.00007 -0.00059 0.00009 100 4PY 0.00285 0.00080 -0.00064 -0.00106 -0.00030 101 4PZ 0.00021 -0.00074 0.00006 -0.00008 0.00028 102 6 H 1S -0.00774 0.00000 0.00327 0.00289 0.00000 103 2S -0.01638 0.00000 0.00491 0.00610 0.00000 104 3S -0.00792 0.00000 0.00611 0.00294 0.00000 105 4PX 0.00110 0.00000 0.00040 -0.00041 0.00000 106 4PY 0.00136 0.00000 -0.00009 -0.00051 0.00000 107 4PZ 0.00000 0.00048 0.00000 0.00000 -0.00018 108 7 H 1S 0.00271 0.00069 -0.00151 -0.00100 -0.00026 109 2S 0.00513 -0.00331 -0.00198 -0.00189 0.00125 110 3S 0.00546 -0.00543 -0.00172 -0.00203 0.00205 111 4PX -0.00086 0.00024 0.00027 0.00032 -0.00009 112 4PY 0.00007 0.00033 -0.00010 -0.00002 -0.00012 113 4PZ -0.00012 0.00019 0.00028 0.00004 -0.00007 114 8 H 1S 0.00271 -0.00069 -0.00151 -0.00100 0.00026 115 2S 0.00513 0.00331 -0.00198 -0.00189 -0.00125 116 3S 0.00546 0.00543 -0.00172 -0.00203 -0.00205 117 4PX -0.00086 -0.00024 0.00027 0.00032 0.00009 118 4PY 0.00007 -0.00033 -0.00010 -0.00002 0.00012 119 4PZ 0.00012 0.00019 -0.00028 -0.00004 -0.00007 71 72 73 74 75 71 10PX 0.13564 72 10PY -0.01892 0.10659 73 10PZ 0.00000 0.00000 0.14511 74 11PX 0.27705 -0.04268 0.00000 0.59006 75 11PY -0.04283 0.21126 0.00000 -0.09582 0.44241 76 11PZ 0.00000 0.00000 0.29865 0.00000 0.00000 77 12PX 0.17621 -0.04618 0.00000 0.37564 -0.10073 78 12PY -0.04424 0.10708 0.00000 -0.09640 0.22458 79 12PZ 0.00000 0.00000 0.19729 0.00000 0.00000 80 13D 0 -0.00204 -0.00438 0.00000 -0.00424 -0.00909 81 13D+1 0.00000 0.00000 0.00110 0.00000 0.00000 82 13D-1 0.00000 0.00000 0.00183 0.00000 0.00000 83 13D+2 -0.00064 -0.00523 0.00000 -0.00132 -0.01087 84 13D-2 0.00431 0.00551 0.00000 0.00896 0.01143 85 14D 0 -0.00353 -0.00755 0.00000 -0.00742 -0.01588 86 14D+1 0.00000 0.00000 0.00280 0.00000 0.00000 87 14D-1 0.00000 0.00000 0.00359 0.00000 0.00000 88 14D+2 -0.00058 -0.00956 0.00000 -0.00104 -0.02021 89 14D-2 0.00845 0.00941 0.00000 0.01790 0.01965 90 4 H 1S 0.00076 -0.01182 -0.01096 0.00183 -0.02370 91 2S 0.00543 -0.01748 -0.02384 0.01195 -0.03512 92 3S 0.01138 -0.02403 -0.03575 0.02466 -0.05027 93 4PX -0.00031 -0.00188 -0.00035 -0.00059 -0.00390 94 4PY -0.00191 -0.00314 0.00100 -0.00401 -0.00660 95 4PZ -0.00017 0.00046 0.00093 -0.00039 0.00079 96 5 H 1S 0.00076 -0.01182 0.01096 0.00183 -0.02370 97 2S 0.00543 -0.01748 0.02384 0.01195 -0.03512 98 3S 0.01138 -0.02403 0.03575 0.02466 -0.05027 99 4PX -0.00031 -0.00188 0.00035 -0.00059 -0.00390 100 4PY -0.00191 -0.00314 -0.00100 -0.00401 -0.00660 101 4PZ 0.00017 -0.00046 0.00093 0.00039 -0.00079 102 6 H 1S 0.01050 0.00936 0.00000 0.02211 0.01804 103 2S 0.01545 0.01895 0.00000 0.03249 0.03755 104 3S 0.01931 0.00930 0.00000 0.04068 0.01811 105 4PX 0.00127 -0.00124 0.00000 0.00270 -0.00254 106 4PY -0.00021 -0.00151 0.00000 -0.00045 -0.00308 107 4PZ 0.00000 0.00000 -0.00054 0.00000 0.00000 108 7 H 1S -0.00476 -0.00326 -0.00080 -0.00989 -0.00597 109 2S -0.00628 -0.00584 0.00370 -0.01301 -0.01102 110 3S -0.00517 -0.00631 0.00656 -0.01091 -0.01272 111 4PX 0.00090 0.00097 -0.00026 0.00186 0.00196 112 4PY -0.00025 0.00001 -0.00039 -0.00054 -0.00003 113 4PZ 0.00089 0.00014 -0.00018 0.00185 0.00016 114 8 H 1S -0.00476 -0.00326 0.00080 -0.00989 -0.00597 115 2S -0.00628 -0.00584 -0.00370 -0.01301 -0.01102 116 3S -0.00517 -0.00631 -0.00656 -0.01091 -0.01272 117 4PX 0.00090 0.00097 0.00026 0.00186 0.00196 118 4PY -0.00025 0.00001 0.00039 -0.00054 -0.00003 119 4PZ -0.00089 -0.00014 -0.00018 -0.00185 -0.00016 76 77 78 79 80 76 11PZ 0.63896 77 12PX 0.00000 0.24574 78 12PY 0.00000 -0.08085 0.11991 79 12PZ 0.42177 0.00000 0.00000 0.28064 80 13D 0 0.00000 -0.00166 -0.00400 0.00000 0.00030 81 13D+1 0.00231 0.00000 0.00000 0.00126 0.00000 82 13D-1 0.00387 0.00000 0.00000 0.00186 0.00000 83 13D+2 0.00000 -0.00035 -0.00488 0.00000 0.00029 84 13D-2 0.00000 0.00396 0.00489 0.00000 -0.00042 85 14D 0 0.00000 -0.00288 -0.00705 0.00000 0.00055 86 14D+1 0.00607 0.00000 0.00000 0.00350 0.00000 87 14D-1 0.00789 0.00000 0.00000 0.00355 0.00000 88 14D+2 0.00000 0.00019 -0.00916 0.00000 0.00057 89 14D-2 0.00000 0.00825 0.00840 0.00000 -0.00080 90 4 H 1S -0.02228 0.00646 -0.01867 -0.02482 -0.00004 91 2S -0.04925 0.01528 -0.02717 -0.04748 -0.00011 92 3S -0.07582 0.02192 -0.02832 -0.05603 0.00089 93 4PX -0.00067 -0.00051 -0.00201 -0.00116 0.00005 94 4PY 0.00205 -0.00178 -0.00262 0.00216 0.00025 95 4PZ 0.00191 -0.00073 0.00144 0.00195 0.00009 96 5 H 1S 0.02228 0.00646 -0.01867 0.02482 -0.00004 97 2S 0.04925 0.01528 -0.02717 0.04748 -0.00011 98 3S 0.07582 0.02192 -0.02832 0.05603 0.00089 99 4PX 0.00067 -0.00051 -0.00201 0.00116 0.00005 100 4PY -0.00205 -0.00178 -0.00262 -0.00216 0.00025 101 4PZ 0.00191 0.00073 -0.00144 0.00195 -0.00009 102 6 H 1S 0.00000 0.01959 0.01170 0.00000 0.00017 103 2S 0.00000 0.02789 0.02261 0.00000 -0.00008 104 3S 0.00000 0.02872 0.00815 0.00000 -0.00032 105 4PX 0.00000 0.00204 -0.00190 0.00000 0.00001 106 4PY 0.00000 -0.00078 -0.00196 0.00000 0.00000 107 4PZ -0.00115 0.00000 0.00000 -0.00064 0.00000 108 7 H 1S -0.00171 -0.00590 -0.00400 0.00075 0.00009 109 2S 0.00792 -0.00738 -0.00724 0.00796 0.00016 110 3S 0.01377 -0.00499 -0.00714 0.01223 0.00033 111 4PX -0.00057 0.00175 0.00081 -0.00046 -0.00002 112 4PY -0.00083 -0.00010 0.00017 -0.00045 0.00004 113 4PZ -0.00041 0.00127 0.00016 -0.00030 0.00000 114 8 H 1S 0.00171 -0.00590 -0.00400 -0.00075 0.00009 115 2S -0.00792 -0.00738 -0.00724 -0.00796 0.00016 116 3S -0.01377 -0.00499 -0.00714 -0.01223 0.00033 117 4PX 0.00057 0.00175 0.00081 0.00046 -0.00002 118 4PY 0.00083 -0.00010 0.00017 0.00045 0.00004 119 4PZ -0.00041 -0.00127 -0.00016 -0.00030 -0.00000 81 82 83 84 85 81 13D+1 0.00005 82 13D-1 0.00010 0.00024 83 13D+2 0.00000 0.00000 0.00048 84 13D-2 0.00000 0.00000 -0.00029 0.00068 85 14D 0 0.00000 0.00000 0.00052 -0.00078 0.00107 86 14D+1 0.00010 0.00020 0.00000 0.00000 0.00000 87 14D-1 0.00023 0.00056 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00095 -0.00055 0.00108 89 14D-2 0.00000 0.00000 -0.00052 0.00131 -0.00154 90 4 H 1S 0.00114 0.00300 -0.00157 -0.00091 -0.00013 91 2S 0.00163 0.00434 -0.00216 -0.00114 -0.00036 92 3S 0.00036 0.00139 0.00055 -0.00147 0.00157 93 4PX 0.00009 0.00022 0.00014 -0.00000 0.00007 94 4PY -0.00009 -0.00024 0.00027 -0.00035 0.00048 95 4PZ -0.00008 -0.00020 0.00031 0.00002 0.00017 96 5 H 1S -0.00114 -0.00300 -0.00157 -0.00091 -0.00013 97 2S -0.00163 -0.00434 -0.00216 -0.00114 -0.00036 98 3S -0.00036 -0.00139 0.00055 -0.00147 0.00157 99 4PX -0.00009 -0.00022 0.00014 -0.00000 0.00007 100 4PY 0.00009 0.00024 0.00027 -0.00035 0.00048 101 4PZ -0.00008 -0.00020 -0.00031 -0.00002 -0.00017 102 6 H 1S 0.00000 0.00000 -0.00106 -0.00044 0.00084 103 2S 0.00000 0.00000 -0.00196 -0.00024 0.00060 104 3S 0.00000 0.00000 -0.00114 0.00039 -0.00017 105 4PX 0.00000 0.00000 -0.00003 -0.00008 -0.00001 106 4PY 0.00000 0.00000 0.00014 0.00004 -0.00003 107 4PZ 0.00002 -0.00004 0.00000 0.00000 0.00000 108 7 H 1S 0.00021 -0.00056 0.00011 -0.00056 -0.00018 109 2S 0.00034 -0.00074 0.00015 -0.00087 -0.00019 110 3S -0.00009 -0.00087 0.00004 -0.00084 0.00049 111 4PX -0.00002 0.00002 -0.00019 -0.00006 0.00000 112 4PY 0.00003 -0.00003 0.00000 -0.00007 0.00009 113 4PZ -0.00003 0.00000 -0.00002 0.00005 0.00006 114 8 H 1S -0.00021 0.00056 0.00011 -0.00056 -0.00018 115 2S -0.00034 0.00074 0.00015 -0.00087 -0.00019 116 3S 0.00009 0.00087 0.00004 -0.00084 0.00049 117 4PX 0.00002 -0.00002 -0.00019 -0.00006 0.00000 118 4PY -0.00003 0.00003 0.00000 -0.00007 0.00009 119 4PZ -0.00003 0.00000 0.00002 -0.00005 -0.00006 86 87 88 89 90 86 14D+1 0.00021 87 14D-1 0.00046 0.00133 88 14D+2 0.00000 0.00000 0.00194 89 14D-2 0.00000 0.00000 -0.00105 0.00262 90 4 H 1S 0.00211 0.00722 -0.00359 -0.00174 0.08376 91 2S 0.00298 0.01050 -0.00500 -0.00203 0.11907 92 3S 0.00041 0.00345 0.00095 -0.00272 0.03895 93 4PX 0.00016 0.00053 0.00025 0.00003 0.00426 94 4PY -0.00018 -0.00058 0.00055 -0.00067 -0.00490 95 4PZ -0.00015 -0.00049 0.00069 0.00003 -0.00878 96 5 H 1S -0.00211 -0.00722 -0.00359 -0.00174 -0.00946 97 2S -0.00298 -0.01050 -0.00500 -0.00203 -0.02005 98 3S -0.00041 -0.00345 0.00095 -0.00272 -0.02036 99 4PX -0.00016 -0.00053 0.00025 0.00003 -0.00230 100 4PY 0.00018 0.00058 0.00055 -0.00067 0.00260 101 4PZ -0.00015 -0.00049 -0.00069 -0.00003 0.00235 102 6 H 1S 0.00000 0.00000 -0.00107 -0.00086 -0.00428 103 2S 0.00000 0.00000 -0.00246 -0.00040 -0.00615 104 3S 0.00000 0.00000 -0.00155 0.00067 -0.00327 105 4PX 0.00000 0.00000 -0.00012 -0.00017 0.00084 106 4PY 0.00000 0.00000 0.00018 0.00008 0.00043 107 4PZ 0.00007 -0.00008 0.00000 0.00000 -0.00047 108 7 H 1S 0.00083 -0.00114 -0.00006 -0.00124 -0.00580 109 2S 0.00129 -0.00153 -0.00015 -0.00190 -0.00806 110 3S 0.00010 -0.00201 -0.00015 -0.00172 -0.00933 111 4PX -0.00006 0.00004 -0.00034 -0.00015 0.00091 112 4PY 0.00008 -0.00006 0.00005 -0.00016 -0.00055 113 4PZ -0.00008 -0.00000 -0.00000 0.00011 0.00001 114 8 H 1S -0.00083 0.00114 -0.00006 -0.00124 0.01017 115 2S -0.00129 0.00153 -0.00015 -0.00190 0.01587 116 3S -0.00010 0.00201 -0.00015 -0.00172 0.01953 117 4PX 0.00006 -0.00004 -0.00034 -0.00015 0.00017 118 4PY -0.00008 0.00006 0.00005 -0.00016 0.00019 119 4PZ -0.00008 -0.00000 0.00000 -0.00011 0.00023 91 92 93 94 95 91 2S 0.17075 92 3S 0.05895 0.03590 93 4PX 0.00607 0.00196 0.00046 94 4PY -0.00719 -0.00181 -0.00029 0.00056 95 4PZ -0.01225 -0.00298 -0.00039 0.00051 0.00110 96 5 H 1S -0.02005 -0.02036 -0.00230 0.00260 -0.00235 97 2S -0.03771 -0.03250 -0.00368 0.00401 -0.00262 98 3S -0.03250 -0.01706 -0.00195 0.00287 0.00105 99 4PX -0.00368 -0.00195 -0.00001 0.00024 0.00007 100 4PY 0.00401 0.00287 0.00024 -0.00004 -0.00001 101 4PZ 0.00262 -0.00105 -0.00007 0.00001 -0.00065 102 6 H 1S -0.00582 -0.00406 -0.00059 0.00028 0.00028 103 2S -0.00814 -0.00727 -0.00097 0.00013 0.00028 104 3S -0.00382 -0.00235 -0.00074 -0.00013 0.00024 105 4PX 0.00131 0.00124 -0.00013 0.00001 -0.00006 106 4PY 0.00057 0.00045 0.00008 -0.00001 -0.00002 107 4PZ -0.00062 -0.00084 -0.00002 0.00001 0.00000 108 7 H 1S -0.00793 -0.00708 -0.00091 0.00042 0.00017 109 2S -0.01125 -0.01109 -0.00134 0.00066 0.00019 110 3S -0.01438 -0.00969 -0.00118 0.00120 0.00030 111 4PX 0.00135 0.00103 -0.00015 -0.00001 -0.00008 112 4PY -0.00077 -0.00089 -0.00002 0.00004 0.00002 113 4PZ -0.00004 -0.00001 0.00006 0.00000 -0.00000 114 8 H 1S 0.01455 0.01865 -0.00022 -0.00014 -0.00019 115 2S 0.02301 0.02862 -0.00032 -0.00023 -0.00040 116 3S 0.02846 0.01904 0.00058 -0.00074 -0.00129 117 4PX 0.00029 -0.00052 -0.00017 0.00000 -0.00008 118 4PY 0.00020 0.00090 -0.00001 0.00004 0.00004 119 4PZ 0.00034 0.00130 -0.00007 0.00002 0.00004 96 97 98 99 100 96 5 H 1S 0.08376 97 2S 0.11907 0.17075 98 3S 0.03895 0.05895 0.03590 99 4PX 0.00426 0.00607 0.00196 0.00046 100 4PY -0.00490 -0.00719 -0.00181 -0.00029 0.00056 101 4PZ 0.00878 0.01225 0.00298 0.00039 -0.00051 102 6 H 1S -0.00428 -0.00582 -0.00406 -0.00059 0.00028 103 2S -0.00615 -0.00814 -0.00727 -0.00097 0.00013 104 3S -0.00327 -0.00382 -0.00235 -0.00074 -0.00013 105 4PX 0.00084 0.00131 0.00124 -0.00013 0.00001 106 4PY 0.00043 0.00057 0.00045 0.00008 -0.00001 107 4PZ 0.00047 0.00062 0.00084 0.00002 -0.00001 108 7 H 1S 0.01017 0.01455 0.01865 -0.00022 -0.00014 109 2S 0.01587 0.02301 0.02862 -0.00032 -0.00023 110 3S 0.01953 0.02846 0.01904 0.00058 -0.00074 111 4PX 0.00017 0.00029 -0.00052 -0.00017 0.00000 112 4PY 0.00019 0.00020 0.00090 -0.00001 0.00004 113 4PZ -0.00023 -0.00034 -0.00130 0.00007 -0.00002 114 8 H 1S -0.00580 -0.00793 -0.00708 -0.00091 0.00042 115 2S -0.00806 -0.01125 -0.01109 -0.00134 0.00066 116 3S -0.00933 -0.01438 -0.00969 -0.00118 0.00120 117 4PX 0.00091 0.00135 0.00103 -0.00015 -0.00001 118 4PY -0.00055 -0.00077 -0.00089 -0.00002 0.00004 119 4PZ -0.00001 0.00004 0.00001 -0.00006 -0.00000 101 102 103 104 105 101 4PZ 0.00110 102 6 H 1S -0.00028 0.08254 103 2S -0.00028 0.11700 0.16719 104 3S -0.00024 0.04052 0.05978 0.02711 105 4PX 0.00006 -0.00484 -0.00694 -0.00214 0.00053 106 4PY 0.00002 -0.00930 -0.01297 -0.00377 0.00052 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 7 H 1S 0.00019 -0.00764 -0.01580 -0.01574 0.00184 109 2S 0.00040 -0.01509 -0.02793 -0.02302 0.00290 110 3S 0.00129 -0.01352 -0.02039 -0.00890 0.00158 111 4PX 0.00008 0.00216 0.00336 0.00193 0.00001 112 4PY -0.00004 0.00351 0.00470 0.00105 -0.00018 113 4PZ 0.00004 0.00098 0.00212 0.00237 -0.00023 114 8 H 1S -0.00017 -0.00764 -0.01580 -0.01574 0.00184 115 2S -0.00019 -0.01509 -0.02793 -0.02302 0.00290 116 3S -0.00030 -0.01352 -0.02039 -0.00890 0.00158 117 4PX 0.00008 0.00216 0.00336 0.00193 0.00001 118 4PY -0.00002 0.00351 0.00470 0.00105 -0.00018 119 4PZ -0.00000 -0.00098 -0.00212 -0.00237 0.00023 106 107 108 109 110 106 4PY 0.00118 107 4PZ 0.00000 0.00030 108 7 H 1S -0.00109 0.00372 0.08310 109 2S -0.00090 0.00535 0.11655 0.16428 110 3S 0.00113 0.00209 0.03707 0.05389 0.02390 111 4PX -0.00017 -0.00022 -0.00371 -0.00525 -0.00168 112 4PY -0.00049 0.00033 0.00530 0.00729 0.00205 113 4PZ 0.00020 -0.00023 -0.00843 -0.01164 -0.00303 114 8 H 1S -0.00109 -0.00372 -0.00822 -0.01533 -0.01569 115 2S -0.00090 -0.00535 -0.01533 -0.02653 -0.02282 116 3S 0.00113 -0.00209 -0.01569 -0.02282 -0.01115 117 4PX -0.00017 0.00022 0.00172 0.00261 0.00144 118 4PY -0.00049 -0.00033 -0.00284 -0.00444 -0.00249 119 4PZ -0.00020 -0.00023 0.00272 0.00337 -0.00013 111 112 113 114 115 111 4PX 0.00042 112 4PY -0.00022 0.00059 113 4PZ 0.00035 -0.00046 0.00103 114 8 H 1S 0.00172 -0.00284 -0.00272 0.08310 115 2S 0.00261 -0.00444 -0.00337 0.11655 0.16428 116 3S 0.00144 -0.00249 0.00013 0.03707 0.05389 117 4PX 0.00009 0.00027 0.00000 -0.00371 -0.00525 118 4PY 0.00027 -0.00014 0.00006 0.00530 0.00729 119 4PZ -0.00000 -0.00006 -0.00066 0.00843 0.01164 116 117 118 119 116 3S 0.02390 117 4PX -0.00168 0.00042 118 4PY 0.00205 -0.00022 0.00059 119 4PZ 0.00303 -0.00035 0.00046 0.00103 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65776 2 2S 0.49069 0.48663 3 2PX 0.00000 0.00000 0.07881 4 2PY 0.00000 0.00000 0.00000 0.08630 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.08769 6 3S -0.02474 -0.05567 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.07195 -0.00000 0.00000 8 3PY 0.00000 0.00000 -0.00000 0.07455 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.07543 10 4S -0.01027 -0.01819 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01624 -0.00000 0.00000 12 4PY 0.00000 0.00000 -0.00000 0.01762 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01861 14 5S -0.00230 -0.00356 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 -0.00001 0.00000 0.00000 16 5PY 0.00000 0.00000 -0.00000 0.00042 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 -0.00002 -0.00000 0.00000 29 2S 0.00000 -0.00000 -0.00001 -0.00000 0.00000 30 2PX -0.00001 -0.00001 0.00125 0.00001 0.00000 31 2PY -0.00000 -0.00000 0.00002 0.00001 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.00013 -0.00022 0.00479 0.00001 0.00000 34 3PX -0.00090 -0.00158 0.01491 0.00018 0.00000 35 3PY -0.00001 -0.00002 0.00028 0.00020 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00008 37 4S 0.00003 -0.00013 0.00337 -0.00002 0.00000 38 4PX -0.00128 -0.00240 0.00532 0.00005 0.00000 39 4PY -0.00002 -0.00005 0.00017 -0.00001 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00055 41 5S 0.00141 0.00223 0.00014 -0.00001 0.00000 42 5PX 0.00046 0.00074 -0.00002 0.00001 0.00000 43 5PY 0.00001 0.00001 0.00001 0.00017 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.00013 45 6D 0 -0.00000 -0.00000 0.00007 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 0.00020 0.00000 0.00000 49 6D-2 -0.00000 -0.00000 0.00001 0.00003 0.00000 50 7D 0 -0.00014 -0.00021 0.00022 0.00002 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00144 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.00004 53 7D+2 -0.00039 -0.00062 0.00057 -0.00003 0.00000 54 7D-2 -0.00001 -0.00002 0.00010 0.00137 0.00000 55 3 Cl 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 0.00000 0.00000 -0.00004 -0.00004 0.00000 61 7S -0.00006 -0.00009 0.00002 -0.00017 0.00000 62 7PX -0.00006 -0.00011 0.00004 -0.00004 0.00000 63 7PY -0.00002 -0.00003 0.00002 0.00002 0.00000 64 7PZ 0.00000 0.00000 0.00000 0.00000 0.00001 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 -0.00004 -0.00001 0.00000 75 11PY -0.00000 -0.00000 -0.00001 -0.00001 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 77 12PX 0.00018 0.00034 -0.00090 -0.00031 0.00000 78 12PY -0.00003 -0.00005 -0.00005 -0.00006 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00000 -0.00004 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 0.00001 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 0.00001 0.00001 -0.00014 -0.00002 -0.00003 92 3S 0.00003 0.00007 -0.00040 -0.00009 -0.00022 93 4PX -0.00000 -0.00000 0.00001 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 -0.00014 -0.00002 -0.00003 98 3S 0.00003 0.00007 -0.00040 -0.00009 -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 -0.00021 -0.00029 0.00132 0.00663 0.00000 103 2S -0.00195 -0.00333 0.00308 0.01632 0.00000 104 3S 0.00047 0.00060 0.00047 0.00260 0.00000 105 4PX -0.00009 -0.00013 0.00005 0.00082 0.00000 106 4PY -0.00044 -0.00067 0.00064 0.00147 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00047 108 7 H 1S -0.00022 -0.00031 0.00077 0.00196 0.00543 109 2S -0.00205 -0.00352 0.00174 0.00470 0.01294 110 3S 0.00038 0.00042 0.00019 0.00064 0.00190 111 4PX -0.00005 -0.00008 0.00017 0.00014 0.00039 112 4PY -0.00013 -0.00020 0.00011 -0.00001 0.00090 113 4PZ -0.00036 -0.00055 0.00030 0.00087 0.00068 114 8 H 1S -0.00022 -0.00031 0.00077 0.00196 0.00543 115 2S -0.00205 -0.00352 0.00174 0.00470 0.01294 116 3S 0.00038 0.00042 0.00019 0.00064 0.00190 117 4PX -0.00005 -0.00008 0.00017 0.00014 0.00039 118 4PY -0.00013 -0.00020 0.00011 -0.00001 0.00090 119 4PZ -0.00036 -0.00055 0.00030 0.00087 0.00068 6 7 8 9 10 6 3S 0.39851 7 3PX 0.00000 0.16630 8 3PY 0.00000 -0.00000 0.16294 9 3PZ 0.00000 0.00000 0.00000 0.16395 10 4S 0.18300 0.00000 0.00000 0.00000 0.14368 11 4PX 0.00000 0.06986 -0.00000 0.00000 0.00000 12 4PY 0.00000 -0.00000 0.07186 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.07549 0.00000 14 5S 0.03794 0.00000 0.00000 0.00000 0.04510 15 5PX 0.00000 0.00009 0.00000 0.00000 0.00000 16 5PY 0.00000 -0.00000 0.00222 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00296 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 -0.00014 -0.00100 -0.00000 0.00000 0.00012 29 2S -0.00022 -0.00175 -0.00000 0.00000 0.00007 30 2PX 0.00426 0.01484 0.00019 0.00000 0.00296 31 2PY 0.00007 0.00030 0.00025 0.00000 0.00005 32 2PZ 0.00000 0.00000 0.00000 0.00008 0.00000 33 3S 0.00687 0.03212 0.00003 0.00000 0.00080 34 3PX 0.02838 0.05810 0.00083 0.00000 0.01544 35 3PY 0.00043 0.00132 0.00180 0.00000 0.00018 36 3PZ 0.00000 0.00000 0.00000 0.00067 0.00000 37 4S 0.00427 0.01756 -0.00014 0.00000 -0.00453 38 4PX 0.02713 0.01940 0.00027 0.00000 0.01603 39 4PY 0.00057 0.00081 0.00057 0.00000 0.00021 40 4PZ 0.00000 0.00000 0.00000 -0.00245 0.00000 41 5S -0.02558 0.00069 -0.00010 0.00000 -0.03116 42 5PX -0.00795 -0.00004 0.00007 0.00000 -0.00857 43 5PY -0.00005 0.00004 0.00108 0.00000 0.00002 44 5PZ 0.00000 0.00000 0.00000 -0.00073 0.00000 45 6D 0 0.00018 0.00030 0.00001 0.00000 0.00005 46 6D+1 0.00000 0.00000 0.00000 0.00032 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00001 0.00000 48 6D+2 0.00050 0.00080 0.00002 0.00000 0.00013 49 6D-2 0.00001 0.00004 0.00028 0.00000 0.00000 50 7D 0 0.00111 0.00047 0.00003 0.00000 0.00029 51 7D+1 0.00000 0.00000 0.00000 0.00530 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.00016 0.00000 53 7D+2 0.00382 0.00110 -0.00010 0.00000 0.00138 54 7D-2 0.00013 0.00023 0.00485 0.00000 0.00001 55 3 Cl 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 -0.00001 58 4S 0.00000 0.00000 0.00000 0.00000 -0.00003 59 5S -0.00001 -0.00002 -0.00003 0.00000 0.00026 60 6S -0.00013 -0.00021 -0.00032 0.00000 0.00141 61 7S 0.00115 0.00002 -0.00112 0.00000 0.00132 62 7PX 0.00143 0.00021 -0.00026 0.00000 0.00187 63 7PY 0.00038 0.00005 0.00014 0.00000 0.00028 64 7PZ 0.00000 0.00000 0.00000 0.00006 0.00000 65 8PX 0.00000 0.00000 0.00000 0.00000 0.00008 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 0.00000 70 9PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 71 10PX -0.00001 -0.00003 -0.00001 0.00000 -0.00046 72 10PY 0.00000 -0.00001 -0.00000 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 74 11PX -0.00050 -0.00091 -0.00032 0.00000 -0.00380 75 11PY 0.00001 -0.00019 -0.00003 0.00000 0.00006 76 11PZ 0.00000 0.00000 0.00000 -0.00003 0.00000 77 12PX -0.00621 -0.00508 -0.00204 0.00000 -0.01093 78 12PY 0.00088 -0.00008 -0.00014 0.00000 0.00158 79 12PZ 0.00000 0.00000 0.00000 -0.00029 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 0.00000 0.00000 0.00000 -0.00000 85 14D 0 -0.00000 0.00002 0.00004 0.00000 -0.00003 86 14D+1 0.00000 0.00000 0.00000 0.00002 0.00000 87 14D-1 0.00000 0.00000 0.00000 -0.00001 0.00000 88 14D+2 0.00005 0.00009 -0.00000 0.00000 0.00011 89 14D-2 0.00002 0.00028 0.00002 0.00000 -0.00005 90 4 H 1S -0.00004 -0.00011 -0.00001 -0.00003 -0.00065 91 2S -0.00088 -0.00152 -0.00016 -0.00028 -0.00301 92 3S -0.00135 -0.00243 -0.00046 -0.00120 -0.00163 93 4PX 0.00004 0.00020 0.00001 -0.00000 0.00007 94 4PY -0.00000 0.00001 0.00000 0.00000 -0.00002 95 4PZ -0.00002 -0.00003 0.00000 0.00000 -0.00007 96 5 H 1S -0.00004 -0.00011 -0.00001 -0.00003 -0.00065 97 2S -0.00088 -0.00152 -0.00016 -0.00028 -0.00301 98 3S -0.00135 -0.00243 -0.00046 -0.00120 -0.00163 99 4PX 0.00004 0.00020 0.00001 -0.00000 0.00007 100 4PY -0.00000 0.00001 0.00000 0.00000 -0.00002 101 4PZ -0.00002 -0.00003 0.00000 0.00000 -0.00007 102 6 H 1S 0.01366 0.00660 0.03333 0.00000 0.01253 103 2S 0.03743 0.01183 0.06252 0.00000 0.03322 104 3S -0.00386 0.00232 0.01241 0.00000 -0.00304 105 4PX 0.00098 0.00050 0.00192 0.00000 0.00032 106 4PY 0.00477 0.00146 0.00247 0.00000 0.00173 107 4PZ 0.00000 0.00000 0.00000 0.00189 0.00000 108 7 H 1S 0.01432 0.00386 0.00974 0.02691 0.01280 109 2S 0.03987 0.00681 0.01799 0.04939 0.03441 110 3S -0.00135 0.00099 0.00302 0.00901 -0.00047 111 4PX 0.00060 0.00096 0.00032 0.00090 0.00018 112 4PY 0.00144 0.00026 0.00026 0.00208 0.00051 113 4PZ 0.00389 0.00070 0.00201 0.00095 0.00138 114 8 H 1S 0.01432 0.00386 0.00974 0.02691 0.01280 115 2S 0.03987 0.00681 0.01799 0.04939 0.03441 116 3S -0.00135 0.00099 0.00302 0.00901 -0.00047 117 4PX 0.00060 0.00096 0.00032 0.00090 0.00018 118 4PY 0.00144 0.00026 0.00026 0.00208 0.00051 119 4PZ 0.00389 0.00070 0.00201 0.00095 0.00138 11 12 13 14 15 11 4PX 0.07000 12 4PY -0.00000 0.07522 13 4PZ 0.00000 0.00000 0.08258 14 5S 0.00000 0.00000 0.00000 0.04913 15 5PX 0.00008 0.00000 0.00000 0.00000 0.00287 16 5PY -0.00000 0.00413 0.00000 0.00000 -0.00000 17 5PZ 0.00000 0.00000 0.00623 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 -0.00132 0.00001 0.00000 0.00030 0.00012 29 2S -0.00255 0.00002 0.00000 0.00058 0.00023 30 2PX 0.00550 0.00014 0.00000 0.00019 -0.00006 31 2PY 0.00014 -0.00006 0.00000 0.00007 0.00002 32 2PZ 0.00000 0.00000 -0.00020 0.00000 0.00000 33 3S 0.03054 -0.00016 0.00000 -0.00911 -0.00312 34 3PX 0.02020 0.00060 0.00000 0.00099 -0.00035 35 3PY 0.00058 -0.00021 0.00000 0.00043 0.00013 36 3PZ 0.00000 0.00000 -0.00081 0.00000 0.00000 37 4S 0.01741 -0.00030 0.00000 -0.01733 -0.00436 38 4PX 0.00601 0.00033 0.00000 0.00173 -0.00090 39 4PY 0.00054 -0.00338 0.00000 0.00080 0.00021 40 4PZ 0.00000 0.00000 -0.00625 0.00000 0.00000 41 5S 0.00112 -0.00034 0.00000 -0.02878 -0.00340 42 5PX -0.00027 0.00011 0.00000 -0.00695 0.00197 43 5PY 0.00006 0.00271 0.00000 0.00011 0.00004 44 5PZ 0.00000 0.00000 -0.00213 0.00000 0.00000 45 6D 0 0.00001 0.00000 0.00000 0.00001 -0.00000 46 6D+1 0.00000 0.00000 0.00021 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00001 0.00000 0.00000 -0.00000 -0.00000 49 6D-2 0.00001 0.00018 0.00000 -0.00000 0.00000 50 7D 0 -0.00008 -0.00001 0.00000 0.00007 -0.00004 51 7D+1 0.00000 0.00000 0.00400 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.00007 0.00000 0.00000 53 7D+2 -0.00028 -0.00010 0.00000 -0.00005 -0.00001 54 7D-2 0.00004 0.00329 0.00000 -0.00001 0.00000 55 3 Cl 1S 0.00000 0.00000 0.00000 0.00001 0.00001 56 2S 0.00000 0.00000 0.00000 0.00013 0.00006 57 3S -0.00002 -0.00001 0.00000 -0.00087 -0.00042 58 4S -0.00007 -0.00001 0.00000 -0.00286 -0.00138 59 5S 0.00033 -0.00021 0.00000 0.00954 0.00437 60 6S 0.00156 -0.00002 0.00000 0.01791 0.00726 61 7S 0.00068 -0.00269 0.00000 -0.00756 -0.00246 62 7PX 0.00032 -0.00036 0.00000 -0.00204 0.00004 63 7PY 0.00031 0.00045 0.00000 -0.00217 -0.00068 64 7PZ 0.00000 0.00000 0.00046 0.00000 0.00000 65 8PX 0.00014 0.00009 0.00000 -0.00009 0.00000 66 8PY 0.00006 0.00001 0.00000 -0.00006 -0.00004 67 8PZ 0.00000 0.00000 0.00003 0.00000 0.00000 68 9PX -0.00003 -0.00002 0.00000 0.00002 -0.00000 69 9PY -0.00001 -0.00000 0.00000 0.00001 0.00001 70 9PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 71 10PX -0.00073 -0.00047 0.00000 0.00042 -0.00002 72 10PY -0.00030 -0.00007 0.00000 0.00028 0.00018 73 10PZ 0.00000 0.00000 -0.00017 0.00000 0.00000 74 11PX -0.00466 -0.00320 0.00000 0.00281 -0.00012 75 11PY -0.00201 -0.00030 0.00000 0.00185 0.00112 76 11PZ 0.00000 0.00000 -0.00139 0.00000 0.00000 77 12PX -0.00808 -0.00588 0.00000 0.00461 -0.00023 78 12PY -0.00111 0.00001 0.00000 0.00352 0.00191 79 12PZ 0.00000 0.00000 -0.00346 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 0.00001 0.00000 0.00000 -0.00000 -0.00000 84 13D-2 0.00002 -0.00000 0.00000 0.00001 0.00000 85 14D 0 -0.00002 0.00005 0.00000 0.00006 0.00000 86 14D+1 0.00000 0.00000 0.00006 0.00000 0.00000 87 14D-1 0.00000 0.00000 -0.00006 0.00000 0.00000 88 14D+2 0.00007 -0.00003 0.00000 -0.00001 -0.00000 89 14D-2 0.00041 -0.00002 0.00000 0.00016 0.00002 90 4 H 1S -0.00138 -0.00029 -0.00042 -0.00222 -0.00105 91 2S -0.00518 -0.00100 -0.00128 -0.00724 -0.00325 92 3S -0.00433 -0.00104 -0.00227 -0.00262 -0.00134 93 4PX 0.00037 0.00002 -0.00002 -0.00005 -0.00000 94 4PY -0.00000 0.00001 -0.00000 0.00001 0.00000 95 4PZ -0.00011 -0.00002 -0.00000 -0.00007 -0.00003 96 5 H 1S -0.00138 -0.00029 -0.00042 -0.00222 -0.00105 97 2S -0.00518 -0.00100 -0.00128 -0.00724 -0.00325 98 3S -0.00433 -0.00104 -0.00227 -0.00262 -0.00134 99 4PX 0.00037 0.00002 -0.00002 -0.00005 -0.00000 100 4PY -0.00000 0.00001 -0.00000 0.00001 0.00000 101 4PZ -0.00011 -0.00002 -0.00000 -0.00007 -0.00003 102 6 H 1S 0.00421 0.02229 0.00000 0.00316 -0.00012 103 2S 0.00987 0.05505 0.00000 0.01031 -0.00035 104 3S 0.00303 0.01830 0.00000 0.00089 0.00015 105 4PX 0.00048 0.00056 0.00000 0.00001 0.00002 106 4PY 0.00043 -0.00022 0.00000 0.00017 -0.00001 107 4PZ 0.00000 0.00000 0.00139 0.00000 0.00000 108 7 H 1S 0.00275 0.00639 0.01848 0.00432 -0.00021 109 2S 0.00635 0.01565 0.04462 0.01368 -0.00059 110 3S 0.00138 0.00454 0.01355 -0.00088 0.00008 111 4PX 0.00073 0.00009 0.00027 0.00001 0.00003 112 4PY 0.00008 0.00034 0.00063 0.00004 -0.00000 113 4PZ 0.00023 0.00058 -0.00034 0.00016 -0.00001 114 8 H 1S 0.00275 0.00639 0.01848 0.00432 -0.00021 115 2S 0.00635 0.01565 0.04462 0.01368 -0.00059 116 3S 0.00138 0.00454 0.01355 -0.00088 0.00008 117 4PX 0.00073 0.00009 0.00027 0.00001 0.00003 118 4PY 0.00008 0.00034 0.00063 0.00004 -0.00000 119 4PZ 0.00023 0.00058 -0.00034 0.00016 -0.00001 16 17 18 19 20 16 5PY 0.00154 17 5PZ 0.00000 0.00114 18 6D 0 0.00000 0.00000 0.00034 19 6D+1 0.00000 0.00000 0.00000 0.00020 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 0.00011 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00017 -0.00000 25 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00006 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 0.00001 0.00000 0.00008 0.00000 0.00000 31 2PY -0.00003 0.00000 0.00000 0.00000 0.00000 32 2PZ 0.00000 -0.00006 0.00000 0.00003 0.00000 33 3S -0.00004 0.00000 0.00018 0.00000 0.00000 34 3PX 0.00003 0.00000 0.00031 0.00000 0.00000 35 3PY -0.00015 0.00000 0.00001 0.00000 0.00000 36 3PZ 0.00000 -0.00030 0.00000 0.00030 0.00001 37 4S -0.00004 0.00000 0.00004 0.00000 0.00000 38 4PX 0.00004 0.00000 0.00001 0.00000 0.00000 39 4PY -0.00017 0.00000 0.00000 0.00000 0.00000 40 4PZ 0.00000 -0.00115 0.00000 0.00018 0.00001 41 5S 0.00008 0.00000 -0.00000 0.00000 0.00000 42 5PX -0.00003 0.00000 -0.00000 0.00000 0.00000 43 5PY -0.00131 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 0.00001 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 0.00000 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 0.00002 53 7D+2 0.00001 0.00000 -0.00000 0.00000 0.00000 54 7D-2 0.00018 0.00000 -0.00000 0.00000 0.00000 55 3 Cl 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 0.00007 0.00000 -0.00000 0.00000 0.00000 58 4S 0.00024 0.00000 -0.00000 0.00000 0.00000 59 5S -0.00088 0.00000 0.00000 0.00000 0.00000 60 6S -0.00160 0.00000 0.00000 0.00000 0.00000 61 7S 0.00073 0.00000 0.00000 0.00000 0.00000 62 7PX -0.00025 0.00000 0.00000 0.00000 0.00000 63 7PY -0.00040 0.00000 0.00000 0.00000 0.00000 64 7PZ 0.00000 0.00022 0.00000 -0.00000 -0.00000 65 8PX -0.00006 0.00000 -0.00000 0.00000 0.00000 66 8PY -0.00001 0.00000 -0.00000 0.00000 0.00000 67 8PZ 0.00000 0.00002 0.00000 0.00000 -0.00000 68 9PX 0.00001 0.00000 0.00000 0.00000 0.00000 69 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 70 9PZ 0.00000 -0.00001 0.00000 -0.00000 0.00000 71 10PX 0.00030 0.00000 0.00000 0.00000 0.00000 72 10PY 0.00005 0.00000 0.00000 0.00000 0.00000 73 10PZ 0.00000 -0.00011 0.00000 -0.00000 0.00000 74 11PX 0.00190 0.00000 0.00000 0.00000 0.00000 75 11PY 0.00040 0.00000 0.00000 0.00000 0.00000 76 11PZ 0.00000 -0.00075 0.00000 -0.00000 0.00000 77 12PX 0.00332 0.00000 0.00000 0.00000 0.00000 78 12PY 0.00127 0.00000 0.00001 0.00000 0.00000 79 12PZ 0.00000 -0.00153 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 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 -0.00001 0.00000 0.00000 -0.00000 88 14D+2 0.00001 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 -0.00009 -0.00010 -0.00000 0.00000 0.00000 91 2S -0.00033 -0.00031 -0.00000 0.00004 0.00001 92 3S -0.00048 -0.00035 -0.00000 0.00002 0.00001 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 -0.00009 -0.00010 -0.00000 0.00000 0.00000 97 2S -0.00033 -0.00031 -0.00000 0.00004 0.00001 98 3S -0.00048 -0.00035 -0.00000 0.00002 0.00001 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 0.00081 0.00000 0.00027 0.00000 0.00000 103 2S 0.00276 0.00000 0.00026 0.00000 0.00000 104 3S 0.00111 0.00000 0.00002 0.00000 0.00000 105 4PX 0.00001 0.00000 0.00002 0.00000 0.00000 106 4PY -0.00006 0.00000 0.00002 0.00000 0.00000 107 4PZ 0.00000 0.00007 0.00000 0.00002 -0.00006 108 7 H 1S 0.00020 0.00083 0.00027 0.00022 0.00052 109 2S 0.00069 0.00269 0.00024 0.00020 0.00048 110 3S 0.00040 0.00149 0.00001 0.00001 0.00003 111 4PX 0.00000 0.00000 0.00000 -0.00001 0.00002 112 4PY 0.00002 0.00001 -0.00001 0.00002 -0.00000 113 4PZ 0.00001 -0.00004 -0.00000 0.00002 0.00004 114 8 H 1S 0.00020 0.00083 0.00027 0.00022 0.00052 115 2S 0.00069 0.00269 0.00024 0.00020 0.00048 116 3S 0.00040 0.00149 0.00001 0.00001 0.00003 117 4PX 0.00000 0.00000 0.00000 -0.00001 0.00002 118 4PY 0.00002 0.00001 -0.00001 0.00002 -0.00000 119 4PZ 0.00001 -0.00004 -0.00000 0.00002 0.00004 21 22 23 24 25 21 6D+2 0.00041 22 6D-2 -0.00000 0.00024 23 7D 0 0.00000 0.00000 0.00039 24 7D+1 0.00000 0.00000 0.00000 0.00101 25 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00023 26 7D+2 0.00020 -0.00000 0.00000 0.00000 0.00000 27 7D-2 -0.00000 0.00012 -0.00000 0.00000 0.00000 28 2 C 1S -0.00001 -0.00000 -0.00003 0.00000 0.00000 29 2S -0.00001 -0.00000 -0.00006 0.00000 0.00000 30 2PX 0.00021 0.00001 0.00034 0.00000 0.00000 31 2PY 0.00001 0.00002 -0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00133 0.00005 33 3S 0.00055 0.00003 0.00058 0.00000 0.00000 34 3PX 0.00086 0.00003 0.00067 0.00000 0.00000 35 3PY 0.00004 0.00020 -0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00493 0.00020 37 4S 0.00014 0.00001 0.00013 0.00000 0.00000 38 4PX 0.00001 0.00000 -0.00013 0.00000 0.00000 39 4PY 0.00001 0.00014 -0.00000 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00305 0.00013 41 5S 0.00000 0.00000 -0.00004 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 0.00009 0.00000 45 6D 0 0.00001 -0.00000 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00009 -0.00001 47 6D-1 0.00000 0.00000 0.00000 -0.00001 0.00001 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 -0.00033 -0.00003 52 7D-1 0.00000 0.00000 0.00000 -0.00000 -0.00001 53 7D+2 0.00001 0.00001 0.00003 0.00000 0.00000 54 7D-2 0.00001 -0.00011 -0.00001 0.00000 0.00000 55 3 Cl 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 -0.00007 0.00000 0.00000 60 6S -0.00000 0.00000 -0.00023 0.00000 0.00000 61 7S -0.00000 0.00000 0.00009 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 -0.00003 0.00001 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 0.00004 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 -0.00000 74 11PX -0.00000 0.00002 0.00038 0.00000 0.00000 75 11PY 0.00000 0.00001 -0.00019 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 0.00006 -0.00004 77 12PX -0.00000 0.00006 0.00032 0.00000 0.00000 78 12PY 0.00000 0.00001 -0.00015 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 0.00001 -0.00008 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 0.00004 -0.00001 88 14D+2 -0.00000 -0.00000 0.00001 0.00000 0.00000 89 14D-2 0.00000 0.00000 0.00001 0.00000 0.00000 90 4 H 1S -0.00000 0.00000 -0.00001 0.00032 0.00005 91 2S -0.00000 0.00001 -0.00004 0.00127 0.00019 92 3S -0.00001 0.00001 0.00000 0.00038 0.00006 93 4PX 0.00000 0.00000 0.00001 0.00005 0.00001 94 4PY 0.00000 -0.00000 -0.00000 0.00003 -0.00000 95 4PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 96 5 H 1S -0.00000 0.00000 -0.00001 0.00032 0.00005 97 2S -0.00000 0.00001 -0.00004 0.00127 0.00019 98 3S -0.00001 0.00001 0.00000 0.00038 0.00006 99 4PX 0.00000 0.00000 0.00001 0.00005 0.00001 100 4PY 0.00000 -0.00000 -0.00000 0.00003 -0.00000 101 4PZ 0.00000 0.00000 -0.00000 0.00001 0.00000 102 6 H 1S 0.00037 0.00044 0.00027 0.00000 0.00000 103 2S 0.00033 0.00042 0.00031 0.00000 0.00000 104 3S 0.00002 0.00003 0.00004 0.00000 0.00000 105 4PX -0.00001 -0.00001 -0.00000 0.00000 0.00000 106 4PY 0.00002 0.00007 -0.00000 0.00000 0.00000 107 4PZ 0.00000 0.00000 0.00000 0.00004 -0.00005 108 7 H 1S 0.00002 0.00007 0.00036 0.00050 0.00050 109 2S 0.00001 0.00007 0.00045 0.00061 0.00060 110 3S 0.00000 0.00000 0.00005 0.00013 0.00010 111 4PX -0.00002 -0.00001 -0.00002 -0.00004 0.00001 112 4PY -0.00001 0.00000 -0.00001 0.00002 -0.00003 113 4PZ 0.00000 0.00002 -0.00006 0.00000 0.00000 114 8 H 1S 0.00002 0.00007 0.00036 0.00050 0.00050 115 2S 0.00001 0.00007 0.00045 0.00061 0.00060 116 3S 0.00000 0.00000 0.00005 0.00013 0.00010 117 4PX -0.00002 -0.00001 -0.00002 -0.00004 0.00001 118 4PY -0.00001 0.00000 -0.00001 0.00002 -0.00003 119 4PZ 0.00000 0.00002 -0.00006 0.00000 0.00000 26 27 28 29 30 26 7D+2 0.00064 27 7D-2 0.00000 0.00053 28 2 C 1S -0.00048 -0.00004 0.65829 29 2S -0.00074 -0.00006 0.49143 0.48802 30 2PX 0.00064 0.00008 0.00000 0.00000 0.08263 31 2PY 0.00009 0.00061 0.00000 0.00000 -0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00434 0.00029 -0.02647 -0.05911 0.00000 34 3PX 0.00123 0.00023 0.00000 0.00000 0.07656 35 3PY 0.00034 0.00255 0.00000 0.00000 -0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00124 0.00006 -0.01072 -0.01879 0.00000 38 4PX -0.00030 0.00004 0.00000 0.00000 0.01636 39 4PY 0.00014 0.00186 0.00000 0.00000 -0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S 0.00005 0.00001 -0.00172 -0.00287 0.00000 42 5PX 0.00005 -0.00000 0.00000 0.00000 -0.00007 43 5PY 0.00001 0.00002 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 -0.00006 0.00000 0.00000 0.00000 50 7D 0 -0.00007 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 -0.00002 -0.00039 -0.00000 -0.00000 0.00000 55 3 Cl 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 -0.00001 0.00001 -0.00000 0.00000 -0.00000 59 5S 0.00005 -0.00004 0.00000 0.00001 0.00005 60 6S 0.00012 -0.00033 0.00025 0.00041 -0.00003 61 7S -0.00006 -0.00008 0.00064 0.00106 -0.00025 62 7PX 0.00001 -0.00001 0.00003 0.00007 0.00015 63 7PY -0.00008 0.00002 0.00026 0.00046 -0.00013 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 -0.00001 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 -0.00001 0.00003 -0.00000 -0.00000 0.00002 72 10PY 0.00002 0.00006 -0.00000 -0.00000 0.00008 73 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 74 11PX -0.00005 0.00031 -0.00009 -0.00015 0.00021 75 11PY 0.00024 0.00050 -0.00032 -0.00057 0.00188 76 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 77 12PX 0.00002 0.00018 -0.00003 -0.00010 -0.00068 78 12PY 0.00033 0.00017 -0.00023 -0.00054 0.00069 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 0.00000 -0.00000 -0.00000 -0.00000 85 14D 0 0.00001 0.00002 -0.00005 -0.00009 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 0.00000 -0.00004 -0.00006 -0.00012 0.00065 89 14D-2 0.00006 0.00005 -0.00010 -0.00019 -0.00002 90 4 H 1S -0.00000 0.00008 -0.00024 -0.00034 0.00097 91 2S -0.00002 0.00029 -0.00236 -0.00402 0.00227 92 3S -0.00014 0.00009 0.00050 0.00065 0.00023 93 4PX 0.00002 0.00002 -0.00007 -0.00011 0.00014 94 4PY 0.00001 0.00000 -0.00013 -0.00020 0.00009 95 4PZ 0.00001 0.00001 -0.00042 -0.00064 0.00044 96 5 H 1S -0.00000 0.00008 -0.00024 -0.00034 0.00097 97 2S -0.00002 0.00029 -0.00236 -0.00402 0.00227 98 3S -0.00014 0.00009 0.00050 0.00065 0.00023 99 4PX 0.00002 0.00002 -0.00007 -0.00011 0.00014 100 4PY 0.00001 0.00000 -0.00013 -0.00020 0.00009 101 4PZ 0.00001 0.00001 -0.00042 -0.00064 0.00044 102 6 H 1S 0.00056 0.00071 0.00000 0.00000 -0.00000 103 2S 0.00064 0.00097 0.00001 0.00001 -0.00014 104 3S 0.00009 0.00014 0.00009 0.00017 -0.00043 105 4PX -0.00007 -0.00002 -0.00000 -0.00000 0.00001 106 4PY -0.00004 0.00003 -0.00000 0.00000 -0.00000 107 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 108 7 H 1S 0.00006 0.00006 0.00000 0.00000 -0.00000 109 2S 0.00007 0.00008 0.00001 0.00001 -0.00015 110 3S 0.00001 0.00002 0.00005 0.00009 -0.00033 111 4PX -0.00005 -0.00003 -0.00000 -0.00000 0.00001 112 4PY -0.00002 0.00000 0.00000 0.00000 0.00000 113 4PZ 0.00001 0.00001 0.00000 0.00000 -0.00000 114 8 H 1S 0.00006 0.00006 0.00000 0.00000 -0.00000 115 2S 0.00007 0.00008 0.00001 0.00001 -0.00015 116 3S 0.00001 0.00002 0.00005 0.00009 -0.00033 117 4PX -0.00005 -0.00003 -0.00000 -0.00000 0.00001 118 4PY -0.00002 0.00000 0.00000 0.00000 0.00000 119 4PZ 0.00001 0.00001 0.00000 0.00000 -0.00000 31 32 33 34 35 31 2PY 0.06293 32 2PZ 0.00000 0.09389 33 3S 0.00000 0.00000 0.43085 34 3PX -0.00000 0.00000 0.00000 0.17947 35 3PY 0.06012 0.00000 0.00000 -0.00000 0.14634 36 3PZ 0.00000 0.08117 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.19120 0.00000 0.00000 38 4PX -0.00000 0.00000 0.00000 0.07156 -0.00000 39 4PY 0.01456 0.00000 0.00000 -0.00000 0.06586 40 4PZ 0.00000 0.01720 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 0.03555 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 -0.00027 0.00000 43 5PY 0.00021 0.00000 0.00000 0.00000 0.00138 44 5PZ 0.00000 0.00040 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 Cl 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 0.00001 -0.00002 -0.00009 58 4S -0.00000 0.00000 0.00003 -0.00008 -0.00048 59 5S 0.00031 0.00000 -0.00082 0.00070 0.00426 60 6S 0.00002 0.00000 -0.00642 -0.00019 0.00006 61 7S -0.00059 0.00000 -0.01344 -0.00155 -0.00406 62 7PX -0.00009 0.00000 -0.00103 0.00094 -0.00058 63 7PY 0.00005 0.00000 -0.00580 -0.00073 0.00047 64 7PZ 0.00000 -0.00008 0.00000 0.00000 0.00000 65 8PX -0.00000 0.00000 -0.00006 -0.00005 -0.00035 66 8PY -0.00000 0.00000 -0.00020 -0.00032 -0.00127 67 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.00002 0.00001 0.00009 69 9PY 0.00000 0.00000 0.00006 0.00008 0.00033 70 9PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 71 10PX 0.00009 0.00000 0.00041 0.00023 0.00210 72 10PY 0.00034 0.00000 0.00144 0.00189 0.00754 73 10PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 74 11PX 0.00203 0.00000 0.00398 0.00011 0.01309 75 11PY 0.00737 0.00000 0.01431 0.01190 0.04181 76 11PZ 0.00000 -0.00018 0.00000 0.00000 0.00000 77 12PX 0.00075 0.00000 0.00197 -0.00427 0.00432 78 12PY 0.00249 0.00000 0.00844 0.00398 0.01097 79 12PZ 0.00000 -0.00110 0.00000 0.00000 0.00000 80 13D 0 0.00001 0.00000 0.00007 0.00003 0.00016 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 0.00007 0.00021 0.00007 84 13D-2 0.00002 0.00000 0.00014 -0.00000 0.00041 85 14D 0 0.00037 0.00000 0.00140 0.00027 0.00137 86 14D+1 0.00000 0.00007 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00046 0.00000 0.00000 0.00000 88 14D+2 0.00011 0.00000 0.00162 0.00295 0.00038 89 14D-2 0.00105 0.00000 0.00290 -0.00000 0.00416 90 4 H 1S 0.00171 0.00576 0.01560 0.00484 0.00852 91 2S 0.00368 0.01401 0.04587 0.00880 0.01412 92 3S 0.00053 0.00211 -0.00424 0.00109 0.00284 93 4PX 0.00008 0.00052 0.00085 0.00084 0.00020 94 4PY 0.00001 0.00082 0.00146 0.00022 0.00036 95 4PZ 0.00066 0.00079 0.00460 0.00102 0.00147 96 5 H 1S 0.00171 0.00576 0.01560 0.00484 0.00852 97 2S 0.00368 0.01401 0.04587 0.00880 0.01412 98 3S 0.00053 0.00211 -0.00424 0.00109 0.00284 99 4PX 0.00008 0.00052 0.00085 0.00084 0.00020 100 4PY 0.00001 0.00082 0.00146 0.00022 0.00036 101 4PZ 0.00066 0.00079 0.00460 0.00102 0.00147 102 6 H 1S 0.00000 0.00000 -0.00006 -0.00009 0.00001 103 2S -0.00001 0.00000 -0.00102 -0.00151 -0.00007 104 3S -0.00007 0.00000 -0.00280 -0.00265 -0.00044 105 4PX -0.00000 0.00000 0.00006 0.00026 -0.00003 106 4PY -0.00000 0.00000 -0.00002 -0.00003 -0.00000 107 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 108 7 H 1S -0.00000 -0.00000 -0.00003 -0.00011 -0.00001 109 2S -0.00001 -0.00004 -0.00074 -0.00152 -0.00013 110 3S -0.00009 -0.00027 -0.00141 -0.00193 -0.00057 111 4PX 0.00000 -0.00000 0.00005 0.00023 0.00001 112 4PY -0.00000 0.00000 -0.00001 0.00000 0.00000 113 4PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 114 8 H 1S -0.00000 -0.00000 -0.00003 -0.00011 -0.00001 115 2S -0.00001 -0.00004 -0.00074 -0.00152 -0.00013 116 3S -0.00009 -0.00027 -0.00141 -0.00193 -0.00057 117 4PX 0.00000 -0.00000 0.00005 0.00023 0.00001 118 4PY -0.00000 0.00000 -0.00001 0.00000 0.00000 119 4PZ 0.00000 0.00000 -0.00001 -0.00003 0.00000 36 37 38 39 40 36 3PZ 0.17740 37 4S 0.00000 0.15764 38 4PX 0.00000 0.00000 0.06773 39 4PY 0.00000 0.00000 -0.00000 0.07317 40 4PZ 0.07026 0.00000 0.00000 0.00000 0.06679 41 5S 0.00000 0.04392 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 -0.00082 0.00000 0.00000 43 5PY 0.00000 0.00000 0.00000 0.00038 0.00000 44 5PZ 0.00221 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 Cl 1S 0.00000 -0.00002 -0.00000 -0.00001 0.00000 56 2S 0.00000 -0.00018 -0.00003 -0.00011 0.00000 57 3S 0.00000 0.00130 0.00021 0.00081 0.00000 58 4S 0.00000 0.00453 0.00064 0.00246 0.00000 59 5S 0.00000 -0.01930 -0.00173 -0.00686 0.00000 60 6S 0.00000 -0.04358 -0.00461 -0.02290 0.00000 61 7S 0.00000 -0.01422 -0.00239 -0.00558 0.00000 62 7PX 0.00000 -0.00036 0.00156 -0.00083 0.00000 63 7PY 0.00000 -0.00477 -0.00094 0.00128 0.00000 64 7PZ -0.00050 0.00000 0.00000 0.00000 -0.00139 65 8PX 0.00000 -0.00007 0.00007 -0.00078 0.00000 66 8PY 0.00000 -0.00087 -0.00053 -0.00162 0.00000 67 8PZ 0.00001 0.00000 0.00000 0.00000 -0.00013 68 9PX 0.00000 0.00001 -0.00002 0.00016 0.00000 69 9PY 0.00000 0.00019 0.00011 0.00033 0.00000 70 9PZ -0.00000 0.00000 0.00000 0.00000 0.00003 71 10PX 0.00000 0.00022 -0.00041 0.00321 0.00000 72 10PY 0.00000 0.00379 0.00215 0.00648 0.00000 73 10PZ -0.00010 0.00000 0.00000 0.00000 0.00052 74 11PX 0.00000 0.00118 -0.00301 0.01538 0.00000 75 11PY 0.00000 0.02229 0.01038 0.02614 0.00000 76 11PZ -0.00080 0.00000 0.00000 0.00000 0.00340 77 12PX 0.00000 -0.00249 -0.00797 0.00757 0.00000 78 12PY 0.00000 0.01632 0.00450 0.00493 0.00000 79 12PZ -0.00487 0.00000 0.00000 0.00000 -0.00083 80 13D 0 0.00000 0.00005 0.00001 0.00004 0.00000 81 13D+1 0.00002 0.00000 0.00000 0.00000 0.00003 82 13D-1 0.00010 0.00000 0.00000 0.00000 0.00013 83 13D+2 0.00000 0.00006 0.00014 -0.00000 0.00000 84 13D-2 0.00000 0.00009 0.00000 0.00015 0.00000 85 14D 0 0.00000 0.00060 0.00003 0.00019 0.00000 86 14D+1 0.00040 0.00000 0.00000 0.00000 0.00034 87 14D-1 0.00247 0.00000 0.00000 0.00000 0.00213 88 14D+2 0.00000 0.00079 0.00169 -0.00014 0.00000 89 14D-2 0.00000 0.00112 0.00014 0.00123 0.00000 90 4 H 1S 0.02843 0.01317 0.00292 0.00597 0.01668 91 2S 0.05349 0.03629 0.00693 0.01332 0.04128 92 3S 0.00990 -0.00578 0.00142 0.00413 0.01232 93 4PX 0.00120 0.00024 0.00065 0.00006 0.00031 94 4PY 0.00189 0.00050 0.00006 0.00040 0.00048 95 4PZ 0.00111 0.00154 0.00027 0.00047 -0.00033 96 5 H 1S 0.02843 0.01317 0.00292 0.00597 0.01668 97 2S 0.05349 0.03629 0.00693 0.01332 0.04128 98 3S 0.00990 -0.00578 0.00142 0.00413 0.01232 99 4PX 0.00120 0.00024 0.00065 0.00006 0.00031 100 4PY 0.00189 0.00050 0.00006 0.00040 0.00048 101 4PZ 0.00111 0.00154 0.00027 0.00047 -0.00033 102 6 H 1S 0.00000 -0.00091 -0.00149 -0.00016 0.00000 103 2S 0.00000 -0.00370 -0.00595 -0.00097 0.00000 104 3S 0.00000 -0.00383 -0.00532 -0.00147 0.00000 105 4PX 0.00000 0.00012 0.00039 -0.00008 0.00000 106 4PY 0.00000 -0.00007 -0.00013 0.00001 0.00000 107 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00004 108 7 H 1S -0.00003 -0.00040 -0.00117 -0.00018 -0.00061 109 2S -0.00034 -0.00184 -0.00439 -0.00074 -0.00213 110 3S -0.00147 -0.00118 -0.00328 -0.00130 -0.00315 111 4PX -0.00000 0.00011 0.00040 0.00002 -0.00004 112 4PY 0.00000 -0.00003 -0.00002 0.00001 -0.00002 113 4PZ 0.00000 -0.00003 -0.00008 -0.00001 0.00000 114 8 H 1S -0.00003 -0.00040 -0.00117 -0.00018 -0.00061 115 2S -0.00034 -0.00184 -0.00439 -0.00074 -0.00213 116 3S -0.00147 -0.00118 -0.00328 -0.00130 -0.00315 117 4PX -0.00000 0.00011 0.00040 0.00002 -0.00004 118 4PY 0.00000 -0.00003 -0.00002 0.00001 -0.00002 119 4PZ 0.00000 -0.00003 -0.00008 -0.00001 0.00000 41 42 43 44 45 41 5S 0.06930 42 5PX 0.00000 0.00633 43 5PY 0.00000 0.00000 0.00615 44 5PZ 0.00000 0.00000 0.00000 0.00136 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00035 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 Cl 1S 0.00001 0.00001 0.00002 0.00000 0.00000 56 2S 0.00011 0.00009 0.00015 0.00000 0.00000 57 3S -0.00074 -0.00059 -0.00102 0.00000 -0.00000 58 4S -0.00237 -0.00191 -0.00328 0.00000 -0.00000 59 5S 0.00654 0.00574 0.00985 0.00000 0.00006 60 6S 0.01201 0.00895 0.01606 0.00000 0.00006 61 7S -0.02604 -0.00349 -0.00788 0.00000 -0.00000 62 7PX -0.00009 0.00083 -0.00003 0.00000 0.00000 63 7PY -0.00610 -0.00095 0.00265 0.00000 0.00000 64 7PZ 0.00000 0.00000 0.00000 -0.00087 0.00000 65 8PX 0.00016 -0.00007 0.00010 0.00000 -0.00000 66 8PY -0.00020 -0.00006 0.00003 0.00000 -0.00000 67 8PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 68 9PX -0.00004 0.00002 -0.00002 0.00000 0.00000 69 9PY 0.00004 0.00001 -0.00001 0.00000 0.00000 70 9PZ 0.00000 0.00000 0.00000 0.00003 0.00000 71 10PX -0.00076 0.00036 -0.00046 0.00000 0.00000 72 10PY 0.00093 0.00029 -0.00015 0.00000 0.00003 73 10PZ 0.00000 0.00000 0.00000 0.00058 0.00000 74 11PX -0.00486 0.00231 -0.00275 0.00000 0.00000 75 11PY 0.00610 0.00173 -0.00125 0.00000 0.00025 76 11PZ 0.00000 0.00000 0.00000 0.00372 0.00000 77 12PX -0.00929 0.00574 -0.00443 0.00000 -0.00000 78 12PY 0.00909 0.00242 -0.00370 0.00000 0.00001 79 12PZ 0.00000 0.00000 0.00000 0.00664 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 0.00001 0.00000 -0.00000 0.00000 -0.00000 84 13D-2 0.00000 -0.00001 -0.00000 0.00000 0.00000 85 14D 0 0.00004 -0.00002 -0.00002 0.00000 0.00001 86 14D+1 0.00000 0.00000 0.00000 0.00002 0.00000 87 14D-1 0.00000 0.00000 0.00000 0.00008 0.00000 88 14D+2 0.00013 0.00006 -0.00009 0.00000 -0.00000 89 14D-2 0.00001 -0.00011 -0.00001 0.00000 0.00002 90 4 H 1S 0.00566 -0.00022 -0.00001 0.00055 0.00029 91 2S 0.01863 -0.00063 -0.00002 0.00172 0.00024 92 3S -0.00168 -0.00060 0.00085 0.00039 0.00001 93 4PX 0.00001 0.00002 0.00000 0.00000 -0.00000 94 4PY 0.00004 0.00000 0.00004 0.00001 -0.00001 95 4PZ 0.00022 -0.00000 -0.00000 -0.00003 -0.00000 96 5 H 1S 0.00566 -0.00022 -0.00001 0.00055 0.00029 97 2S 0.01863 -0.00063 -0.00002 0.00172 0.00024 98 3S -0.00168 -0.00060 0.00085 0.00039 0.00001 99 4PX 0.00001 0.00002 0.00000 0.00000 -0.00000 100 4PY 0.00004 0.00000 0.00004 0.00001 -0.00001 101 4PZ 0.00022 -0.00000 -0.00000 -0.00003 -0.00000 102 6 H 1S -0.00279 -0.00028 0.00035 0.00000 0.00000 103 2S -0.00888 -0.00103 0.00098 0.00000 0.00001 104 3S -0.00437 0.00121 0.00096 0.00000 0.00000 105 4PX -0.00007 -0.00000 -0.00000 0.00000 0.00000 106 4PY -0.00009 -0.00003 -0.00002 0.00000 0.00000 107 4PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 108 7 H 1S -0.00153 -0.00098 0.00004 -0.00019 -0.00000 109 2S -0.00480 -0.00297 0.00013 -0.00060 -0.00000 110 3S 0.00213 0.00007 0.00012 -0.00054 -0.00000 111 4PX -0.00005 -0.00000 0.00000 -0.00000 0.00000 112 4PY -0.00004 -0.00001 0.00001 -0.00000 0.00000 113 4PZ -0.00006 -0.00004 0.00000 0.00001 -0.00000 114 8 H 1S -0.00153 -0.00098 0.00004 -0.00019 -0.00000 115 2S -0.00480 -0.00297 0.00013 -0.00060 -0.00000 116 3S 0.00213 0.00007 0.00012 -0.00054 -0.00000 117 4PX -0.00005 -0.00000 0.00000 -0.00000 0.00000 118 4PY -0.00004 -0.00001 0.00001 -0.00000 0.00000 119 4PZ -0.00006 -0.00004 0.00000 0.00001 -0.00000 46 47 48 49 50 46 6D+1 0.00027 47 6D-1 -0.00000 0.00037 48 6D+2 0.00000 0.00000 0.00040 49 6D-2 0.00000 0.00000 -0.00000 0.00030 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00102 51 7D+1 0.00025 -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 0.00034 -0.00000 -0.00000 54 7D-2 0.00000 0.00000 -0.00000 0.00041 0.00000 55 3 Cl 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 -0.00000 -0.00009 58 4S 0.00000 0.00000 -0.00000 -0.00000 -0.00032 59 5S 0.00000 0.00000 0.00006 0.00011 0.00108 60 6S 0.00000 0.00000 0.00006 0.00012 0.00052 61 7S 0.00000 0.00000 -0.00000 -0.00001 -0.00009 62 7PX 0.00000 0.00000 -0.00001 0.00000 0.00001 63 7PY 0.00000 0.00000 0.00000 0.00000 0.00005 64 7PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 -0.00000 -0.00000 -0.00005 66 8PY 0.00000 0.00000 -0.00000 -0.00000 -0.00021 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 0.00004 70 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 0.00004 0.00000 0.00017 72 10PY 0.00000 0.00000 0.00001 0.00007 0.00071 73 10PZ 0.00000 0.00001 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 0.00043 0.00001 0.00050 75 11PY 0.00000 0.00000 0.00004 0.00056 0.00201 76 11PZ 0.00002 0.00025 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 0.00018 -0.00000 -0.00001 78 12PY 0.00000 0.00000 0.00000 0.00007 -0.00003 79 12PZ 0.00000 0.00021 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.00000 0.00000 0.00002 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 0.00001 0.00001 0.00011 86 14D+1 0.00000 -0.00000 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 -0.00001 0.00003 0.00000 89 14D-2 0.00000 0.00000 0.00002 0.00001 0.00000 90 4 H 1S 0.00028 0.00052 0.00001 0.00009 0.00054 91 2S 0.00025 0.00050 0.00001 0.00007 0.00060 92 3S 0.00002 0.00004 0.00000 0.00001 0.00012 93 4PX -0.00002 0.00003 -0.00002 -0.00001 -0.00000 94 4PY 0.00002 -0.00001 -0.00001 0.00000 -0.00009 95 4PZ 0.00002 0.00004 0.00000 0.00002 -0.00005 96 5 H 1S 0.00028 0.00052 0.00001 0.00009 0.00054 97 2S 0.00025 0.00050 0.00001 0.00007 0.00060 98 3S 0.00002 0.00004 0.00000 0.00001 0.00012 99 4PX -0.00002 0.00003 -0.00002 -0.00001 -0.00000 100 4PY 0.00002 -0.00001 -0.00001 0.00000 -0.00009 101 4PZ 0.00002 0.00004 0.00000 0.00002 -0.00005 102 6 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00011 103 2S 0.00000 0.00000 -0.00000 0.00006 0.00045 104 3S 0.00000 0.00000 -0.00001 0.00003 0.00013 105 4PX 0.00000 0.00000 0.00000 0.00000 0.00003 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 -0.00002 109 2S 0.00004 0.00001 -0.00000 0.00002 -0.00010 110 3S 0.00003 0.00001 -0.00000 0.00001 -0.00007 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 -0.00001 114 8 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00002 115 2S 0.00004 0.00001 -0.00000 0.00002 -0.00010 116 3S 0.00003 0.00001 -0.00000 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 51 52 53 54 55 51 7D+1 0.00193 52 7D-1 0.00000 0.00176 53 7D+2 0.00000 0.00000 0.00234 54 7D-2 0.00000 0.00000 -0.00000 0.00341 55 3 Cl 1S 0.00000 0.00000 0.00000 0.00000 0.37148 56 2S 0.00000 0.00000 0.00001 0.00002 0.45399 57 3S 0.00000 0.00000 -0.00007 -0.00015 -0.02884 58 4S 0.00000 0.00000 -0.00026 -0.00055 -0.02155 59 5S 0.00000 0.00000 0.00101 0.00214 0.00136 60 6S 0.00000 0.00000 0.00051 0.00109 0.00086 61 7S 0.00000 0.00000 0.00003 -0.00026 -0.00007 62 7PX 0.00000 0.00000 -0.00013 0.00002 0.00000 63 7PY 0.00000 0.00000 -0.00002 0.00004 0.00000 64 7PZ -0.00006 -0.00015 0.00000 0.00000 0.00000 65 8PX 0.00000 0.00000 -0.00053 0.00004 0.00000 66 8PY 0.00000 0.00000 0.00002 -0.00071 0.00000 67 8PZ -0.00010 -0.00032 0.00000 0.00000 0.00000 68 9PX 0.00000 0.00000 0.00011 -0.00001 0.00000 69 9PY 0.00000 0.00000 -0.00000 0.00014 0.00000 70 9PZ 0.00002 0.00007 0.00000 0.00000 0.00000 71 10PX 0.00000 0.00000 0.00226 -0.00009 0.00000 72 10PY 0.00000 0.00000 -0.00012 0.00262 0.00000 73 10PZ 0.00048 0.00150 0.00000 0.00000 0.00000 74 11PX 0.00000 0.00000 0.00950 0.00049 0.00000 75 11PY 0.00000 0.00000 -0.00020 0.00840 0.00000 76 11PZ 0.00246 0.00772 0.00000 0.00000 0.00000 77 12PX 0.00000 0.00000 0.00440 0.00136 0.00000 78 12PY 0.00000 0.00000 0.00049 0.00110 0.00000 79 12PZ 0.00154 0.00517 0.00000 0.00000 0.00000 80 13D 0 0.00000 0.00000 0.00001 0.00001 0.00000 81 13D+1 0.00000 0.00001 0.00000 0.00000 0.00000 82 13D-1 0.00002 0.00001 0.00000 0.00000 0.00000 83 13D+2 0.00000 0.00000 -0.00001 0.00007 -0.00000 84 13D-2 0.00000 0.00000 0.00004 0.00001 -0.00000 85 14D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 86 14D+1 -0.00000 0.00007 0.00000 0.00000 0.00000 87 14D-1 0.00017 0.00009 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 -0.00009 0.00040 0.00000 89 14D-2 0.00000 0.00000 0.00029 -0.00005 0.00000 90 4 H 1S 0.00066 0.00050 0.00001 0.00025 -0.00000 91 2S 0.00072 0.00085 0.00004 0.00030 0.00000 92 3S 0.00005 0.00033 0.00002 0.00012 -0.00000 93 4PX -0.00007 0.00001 -0.00003 -0.00006 0.00000 94 4PY 0.00002 -0.00003 -0.00006 0.00004 0.00000 95 4PZ 0.00001 0.00001 0.00000 0.00000 0.00000 96 5 H 1S 0.00066 0.00050 0.00001 0.00025 -0.00000 97 2S 0.00072 0.00085 0.00004 0.00030 0.00000 98 3S 0.00005 0.00033 0.00002 0.00012 -0.00000 99 4PX -0.00007 0.00001 -0.00003 -0.00006 0.00000 100 4PY 0.00002 -0.00003 -0.00006 0.00004 0.00000 101 4PZ 0.00001 0.00001 0.00000 0.00000 0.00000 102 6 H 1S 0.00000 0.00000 -0.00004 0.00049 0.00000 103 2S 0.00000 0.00000 -0.00021 0.00199 0.00000 104 3S 0.00000 0.00000 -0.00028 0.00060 0.00000 105 4PX 0.00000 0.00000 0.00003 0.00010 0.00000 106 4PY 0.00000 0.00000 0.00001 0.00001 0.00000 107 4PZ 0.00004 -0.00000 0.00000 0.00000 0.00000 108 7 H 1S 0.00037 0.00005 0.00006 0.00016 -0.00000 109 2S 0.00137 0.00021 0.00020 0.00064 -0.00000 110 3S 0.00042 0.00008 0.00004 0.00020 -0.00000 111 4PX 0.00005 0.00001 0.00002 0.00004 0.00000 112 4PY 0.00003 -0.00000 0.00001 0.00000 0.00000 113 4PZ 0.00001 0.00000 0.00002 0.00003 -0.00000 114 8 H 1S 0.00037 0.00005 0.00006 0.00016 -0.00000 115 2S 0.00137 0.00021 0.00020 0.00064 -0.00000 116 3S 0.00042 0.00008 0.00004 0.00020 -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 0.00002 0.00003 -0.00000 56 57 58 59 60 56 2S 1.09379 57 3S -0.21019 0.59637 58 4S -0.16953 0.67544 1.08849 59 5S 0.01227 -0.08856 -0.30348 0.80908 60 6S 0.00780 -0.05476 -0.18654 0.60508 0.73384 61 7S -0.00065 0.00434 0.01377 -0.03836 -0.05917 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 0.00000 0.00000 -0.00001 -0.00021 91 2S 0.00000 -0.00000 -0.00000 -0.00010 -0.00004 92 3S -0.00000 0.00003 0.00010 -0.00041 0.00072 93 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 94 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00003 95 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00001 96 5 H 1S -0.00000 0.00000 0.00000 -0.00001 -0.00021 97 2S 0.00000 -0.00000 -0.00000 -0.00010 -0.00004 98 3S -0.00000 0.00003 0.00010 -0.00041 0.00072 99 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 100 4PY 0.00000 -0.00000 -0.00000 0.00000 -0.00003 101 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00001 102 6 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 2S 0.00000 -0.00000 -0.00000 0.00000 0.00006 104 3S 0.00000 -0.00000 -0.00000 0.00004 -0.00002 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 -0.00001 109 2S -0.00000 0.00000 0.00000 -0.00001 -0.00012 110 3S -0.00000 0.00002 0.00006 -0.00027 -0.00039 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 -0.00001 115 2S -0.00000 0.00000 0.00000 -0.00001 -0.00012 116 3S -0.00000 0.00002 0.00006 -0.00027 -0.00039 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 61 62 63 64 65 61 7S 0.05076 62 7PX 0.00000 0.00228 63 7PY 0.00000 0.00000 0.00848 64 7PZ 0.00000 0.00000 0.00000 0.00135 65 8PX 0.00000 0.00029 -0.00000 0.00000 1.39351 66 8PY 0.00000 0.00000 0.00050 0.00000 -0.00000 67 8PZ 0.00000 0.00000 0.00000 0.00032 0.00000 68 9PX 0.00000 -0.00006 0.00000 0.00000 0.24725 69 9PY 0.00000 -0.00000 -0.00011 0.00000 -0.00000 70 9PZ 0.00000 0.00000 0.00000 -0.00007 0.00000 71 10PX 0.00000 -0.00133 0.00000 0.00000 -0.01754 72 10PY 0.00000 -0.00000 -0.00232 0.00000 0.00000 73 10PZ 0.00000 0.00000 0.00000 -0.00147 0.00000 74 11PX 0.00000 -0.00814 0.00000 0.00000 -0.06628 75 11PY 0.00000 -0.00000 -0.01413 0.00000 0.00000 76 11PZ 0.00000 0.00000 0.00000 -0.00901 0.00000 77 12PX 0.00000 -0.01280 0.00000 0.00000 -0.01091 78 12PY 0.00000 -0.00000 -0.01922 0.00000 0.00000 79 12PZ 0.00000 0.00000 0.00000 -0.01495 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 -0.00034 -0.00001 -0.00001 -0.00006 -0.00000 91 2S -0.00145 -0.00011 -0.00020 -0.00011 -0.00000 92 3S 0.00510 -0.00004 0.00284 0.00052 -0.00002 93 4PX -0.00001 0.00001 -0.00001 0.00000 0.00000 94 4PY -0.00013 -0.00001 -0.00003 -0.00000 -0.00000 95 4PZ -0.00003 -0.00000 -0.00002 0.00000 -0.00000 96 5 H 1S -0.00034 -0.00001 -0.00001 -0.00006 -0.00000 97 2S -0.00145 -0.00011 -0.00020 -0.00011 -0.00000 98 3S 0.00510 -0.00004 0.00284 0.00052 -0.00002 99 4PX -0.00001 0.00001 -0.00001 0.00000 0.00000 100 4PY -0.00013 -0.00001 -0.00003 -0.00000 -0.00000 101 4PZ -0.00003 -0.00000 -0.00002 0.00000 -0.00000 102 6 H 1S 0.00029 0.00006 0.00011 0.00000 -0.00000 103 2S 0.00095 0.00013 0.00020 0.00000 -0.00000 104 3S 0.00115 -0.00030 0.00024 0.00000 -0.00001 105 4PX 0.00001 0.00001 -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 -0.00022 -0.00003 -0.00003 0.00002 0.00000 109 2S -0.00086 -0.00016 -0.00009 0.00001 0.00000 110 3S -0.00030 0.00007 0.00007 -0.00000 0.00002 111 4PX 0.00000 0.00001 0.00000 -0.00000 0.00000 112 4PY -0.00001 -0.00001 0.00001 -0.00000 -0.00000 113 4PZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 114 8 H 1S -0.00022 -0.00003 -0.00003 0.00002 0.00000 115 2S -0.00086 -0.00016 -0.00009 0.00001 0.00000 116 3S -0.00030 0.00007 0.00007 -0.00000 0.00002 117 4PX 0.00000 0.00001 0.00000 -0.00000 0.00000 118 4PY -0.00001 -0.00001 0.00001 -0.00000 -0.00000 119 4PZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 66 67 68 69 70 66 8PY 1.37300 67 8PZ 0.00000 1.40016 68 9PX -0.00000 0.00000 0.16263 69 9PY 0.24312 0.00000 -0.00000 0.15956 70 9PZ 0.00000 0.24860 0.00000 0.00000 0.16365 71 10PX 0.00000 0.00000 0.00202 -0.00000 0.00000 72 10PY -0.00223 0.00000 -0.00000 0.00063 0.00000 73 10PZ 0.00000 -0.02250 0.00000 0.00000 0.00247 74 11PX 0.00000 0.00000 0.01153 -0.00000 0.00000 75 11PY -0.05129 0.00000 -0.00000 0.00887 0.00000 76 11PZ 0.00000 -0.07125 0.00000 0.00000 0.01241 77 12PX 0.00000 0.00000 0.00231 -0.00000 0.00000 78 12PY -0.00668 0.00000 -0.00000 0.00141 0.00000 79 12PZ 0.00000 -0.01220 0.00000 0.00000 0.00259 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 0.00000 -0.00000 -0.00000 91 2S 0.00002 0.00001 0.00000 -0.00001 -0.00000 92 3S 0.00025 0.00015 0.00001 -0.00006 -0.00003 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 0.00002 0.00001 0.00000 -0.00001 -0.00000 98 3S 0.00025 0.00015 0.00001 -0.00006 -0.00003 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 0.00000 0.00000 104 3S -0.00001 0.00000 0.00000 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 0.00000 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 0.00001 -0.00001 -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 -0.00000 -0.00000 -0.00000 0.00000 116 3S 0.00001 -0.00001 -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 71 72 73 74 75 71 10PX 0.13564 72 10PY -0.00000 0.10659 73 10PZ 0.00000 0.00000 0.14511 74 11PX 0.20665 -0.00000 0.00000 0.59006 75 11PY -0.00000 0.15758 0.00000 -0.00000 0.44241 76 11PZ 0.00000 0.00000 0.22277 0.00000 0.00000 77 12PX 0.04726 -0.00000 0.00000 0.23753 -0.00000 78 12PY -0.00000 0.02872 0.00000 -0.00000 0.14200 79 12PZ 0.00000 0.00000 0.05291 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 -0.00000 -0.00000 0.00000 -0.00021 91 2S 0.00001 -0.00020 -0.00011 0.00018 -0.00244 92 3S 0.00012 -0.00122 -0.00075 0.00082 -0.00787 93 4PX -0.00000 0.00000 0.00000 -0.00000 0.00004 94 4PY 0.00000 0.00001 -0.00000 0.00004 0.00027 95 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00002 96 5 H 1S 0.00000 -0.00000 -0.00000 0.00000 -0.00021 97 2S 0.00001 -0.00020 -0.00011 0.00018 -0.00244 98 3S 0.00012 -0.00122 -0.00075 0.00082 -0.00787 99 4PX -0.00000 0.00000 0.00000 -0.00000 0.00004 100 4PY 0.00000 0.00001 -0.00000 0.00004 0.00027 101 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00002 102 6 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 103 2S 0.00000 0.00000 0.00000 0.00002 0.00002 104 3S 0.00008 0.00003 0.00000 0.00074 0.00029 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 -0.00014 -0.00004 110 3S -0.00011 -0.00005 0.00005 -0.00083 -0.00034 111 4PX -0.00000 -0.00000 0.00000 -0.00001 -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 -0.00014 -0.00004 116 3S -0.00011 -0.00005 0.00005 -0.00083 -0.00034 117 4PX -0.00000 -0.00000 0.00000 -0.00001 -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 76 77 78 79 80 76 11PZ 0.63896 77 12PX 0.00000 0.24574 78 12PY 0.00000 -0.00000 0.11991 79 12PZ 0.26669 0.00000 0.00000 0.28064 80 13D 0 0.00000 0.00000 0.00000 0.00000 0.00030 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 0.00025 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 -0.00008 0.00018 -0.00241 -0.00133 0.00000 91 2S -0.00142 0.00103 -0.00862 -0.00624 0.00000 92 3S -0.00492 0.00210 -0.01277 -0.01047 -0.00000 93 4PX 0.00000 -0.00002 0.00007 0.00002 0.00000 94 4PY -0.00004 0.00006 0.00030 -0.00015 0.00000 95 4PZ -0.00000 0.00001 -0.00010 0.00005 0.00000 96 5 H 1S -0.00008 0.00018 -0.00241 -0.00133 0.00000 97 2S -0.00142 0.00103 -0.00862 -0.00624 0.00000 98 3S -0.00492 0.00210 -0.01277 -0.01047 -0.00000 99 4PX 0.00000 -0.00002 0.00007 0.00002 0.00000 100 4PY -0.00004 0.00006 0.00030 -0.00015 0.00000 101 4PZ -0.00000 0.00001 -0.00010 0.00005 0.00000 102 6 H 1S 0.00000 0.00016 0.00009 0.00000 -0.00000 103 2S 0.00000 0.00100 0.00072 0.00000 0.00000 104 3S 0.00000 0.00347 0.00088 0.00000 0.00000 105 4PX 0.00000 -0.00003 0.00003 0.00000 0.00000 106 4PY 0.00000 0.00001 0.00002 0.00000 0.00000 107 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 108 7 H 1S -0.00000 -0.00029 -0.00007 0.00001 -0.00000 109 2S 0.00003 -0.00112 -0.00039 0.00040 -0.00000 110 3S 0.00034 -0.00151 -0.00077 0.00122 -0.00000 111 4PX 0.00000 -0.00012 -0.00003 0.00001 -0.00000 112 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PZ 0.00000 -0.00004 -0.00000 -0.00000 0.00000 114 8 H 1S -0.00000 -0.00029 -0.00007 0.00001 -0.00000 115 2S 0.00003 -0.00112 -0.00039 0.00040 -0.00000 116 3S 0.00034 -0.00151 -0.00077 0.00122 -0.00000 117 4PX 0.00000 -0.00012 -0.00003 0.00001 -0.00000 118 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PZ 0.00000 -0.00004 -0.00000 -0.00000 0.00000 81 82 83 84 85 81 13D+1 0.00005 82 13D-1 0.00000 0.00024 83 13D+2 0.00000 0.00000 0.00048 84 13D-2 0.00000 0.00000 0.00000 0.00068 85 14D 0 0.00000 0.00000 -0.00000 0.00000 0.00107 86 14D+1 0.00004 0.00000 0.00000 0.00000 0.00000 87 14D-1 0.00000 0.00026 0.00000 0.00000 0.00000 88 14D+2 0.00000 0.00000 0.00043 0.00000 0.00000 89 14D-2 0.00000 0.00000 0.00000 0.00060 0.00000 90 4 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 91 2S 0.00000 0.00002 0.00001 -0.00000 0.00001 92 3S 0.00000 0.00001 -0.00001 -0.00001 -0.00005 93 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 94 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 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 0.00000 0.00002 0.00001 -0.00000 0.00001 98 3S 0.00000 0.00001 -0.00001 -0.00001 -0.00005 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 0.00000 -0.00000 -0.00000 -0.00000 104 3S 0.00000 0.00000 -0.00000 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 0.00000 -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 0.00000 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 86 87 88 89 90 86 14D+1 0.00021 87 14D-1 0.00000 0.00133 88 14D+2 0.00000 0.00000 0.00194 89 14D-2 0.00000 0.00000 0.00000 0.00262 90 4 H 1S 0.00001 0.00011 0.00006 -0.00001 0.08376 91 2S 0.00004 0.00072 0.00039 -0.00007 0.08411 92 3S 0.00001 0.00024 -0.00008 -0.00010 0.01455 93 4PX 0.00000 -0.00001 0.00001 0.00000 0.00000 94 4PY 0.00000 0.00003 0.00003 0.00002 0.00000 95 4PZ 0.00000 0.00000 0.00002 -0.00000 0.00000 96 5 H 1S 0.00001 0.00011 0.00006 -0.00001 -0.00001 97 2S 0.00004 0.00072 0.00039 -0.00007 -0.00078 98 3S 0.00001 0.00024 -0.00008 -0.00010 -0.00262 99 4PX 0.00000 -0.00001 0.00001 0.00000 0.00000 100 4PY 0.00000 0.00003 0.00003 0.00002 0.00000 101 4PZ 0.00000 0.00000 0.00002 -0.00000 0.00004 102 6 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 103 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 104 3S 0.00000 0.00000 -0.00000 0.00002 -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 0.00001 -0.00001 -0.00000 -0.00002 -0.00002 110 3S 0.00000 -0.00002 -0.00001 -0.00006 -0.00041 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 0.00001 -0.00001 -0.00000 -0.00002 0.00000 116 3S 0.00000 -0.00002 -0.00001 -0.00006 0.00029 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 91 92 93 94 95 91 2S 0.17075 92 3S 0.04651 0.03590 93 4PX 0.00000 0.00000 0.00046 94 4PY 0.00000 0.00000 -0.00000 0.00056 95 4PZ 0.00000 0.00000 0.00000 0.00000 0.00110 96 5 H 1S -0.00078 -0.00262 0.00000 0.00000 0.00004 97 2S -0.00605 -0.01067 0.00000 0.00000 0.00032 98 3S -0.01067 -0.00958 0.00000 0.00000 -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 0.00032 -0.00014 0.00000 0.00000 0.00007 102 6 H 1S -0.00001 -0.00018 -0.00000 0.00000 -0.00000 103 2S -0.00020 -0.00098 -0.00001 0.00000 -0.00000 104 3S -0.00052 -0.00074 -0.00005 -0.00000 -0.00001 105 4PX -0.00002 -0.00008 0.00000 -0.00000 -0.00000 106 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 4PZ -0.00000 -0.00002 -0.00000 0.00000 -0.00000 108 7 H 1S -0.00002 -0.00031 -0.00000 -0.00000 -0.00000 109 2S -0.00028 -0.00149 -0.00002 -0.00000 -0.00000 110 3S -0.00194 -0.00303 -0.00007 -0.00004 -0.00000 111 4PX -0.00002 -0.00006 0.00000 -0.00000 -0.00000 112 4PY -0.00000 -0.00003 -0.00000 -0.00000 -0.00000 113 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 114 8 H 1S 0.00000 0.00028 -0.00000 0.00000 0.00000 115 2S 0.00009 0.00161 -0.00000 0.00000 0.00000 116 3S 0.00160 0.00335 0.00001 0.00001 0.00002 117 4PX -0.00000 0.00001 0.00000 0.00000 -0.00000 118 4PY 0.00000 0.00001 -0.00000 -0.00000 -0.00000 119 4PZ 0.00000 0.00002 -0.00000 -0.00000 -0.00000 96 97 98 99 100 96 5 H 1S 0.08376 97 2S 0.08411 0.17075 98 3S 0.01455 0.04651 0.03590 99 4PX 0.00000 0.00000 0.00000 0.00046 100 4PY 0.00000 0.00000 0.00000 -0.00000 0.00056 101 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 102 6 H 1S -0.00000 -0.00001 -0.00018 -0.00000 0.00000 103 2S -0.00001 -0.00020 -0.00098 -0.00001 0.00000 104 3S -0.00014 -0.00052 -0.00074 -0.00005 -0.00000 105 4PX -0.00000 -0.00002 -0.00008 0.00000 -0.00000 106 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 4PZ -0.00000 -0.00000 -0.00002 -0.00000 0.00000 108 7 H 1S 0.00000 0.00000 0.00028 -0.00000 0.00000 109 2S 0.00000 0.00009 0.00161 -0.00000 0.00000 110 3S 0.00029 0.00160 0.00335 0.00001 0.00001 111 4PX -0.00000 -0.00000 0.00001 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 -0.00031 -0.00000 -0.00000 115 2S -0.00002 -0.00028 -0.00149 -0.00002 -0.00000 116 3S -0.00041 -0.00194 -0.00303 -0.00007 -0.00004 117 4PX -0.00000 -0.00002 -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 101 102 103 104 105 101 4PZ 0.00110 102 6 H 1S -0.00000 0.08254 103 2S -0.00000 0.08265 0.16719 104 3S -0.00001 0.01514 0.04716 0.02711 105 4PX -0.00000 0.00000 0.00000 0.00000 0.00053 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 -0.00001 -0.00062 -0.00203 -0.00000 109 2S 0.00000 -0.00059 -0.00450 -0.00757 -0.00002 110 3S 0.00002 -0.00175 -0.00671 -0.00501 -0.00001 111 4PX -0.00000 0.00000 0.00002 0.00002 0.00000 112 4PY -0.00000 0.00005 0.00049 0.00012 0.00000 113 4PZ -0.00000 -0.00001 -0.00013 -0.00016 -0.00000 114 8 H 1S -0.00000 -0.00001 -0.00062 -0.00203 -0.00000 115 2S -0.00000 -0.00059 -0.00450 -0.00757 -0.00002 116 3S -0.00000 -0.00175 -0.00671 -0.00501 -0.00001 117 4PX -0.00000 0.00000 0.00002 0.00002 0.00000 118 4PY -0.00000 0.00005 0.00049 0.00012 0.00000 119 4PZ -0.00000 -0.00001 -0.00013 -0.00016 -0.00000 106 107 108 109 110 106 4PY 0.00118 107 4PZ 0.00000 0.00030 108 7 H 1S 0.00002 0.00003 0.08310 109 2S 0.00009 0.00032 0.08233 0.16428 110 3S -0.00013 0.00014 0.01385 0.04252 0.02390 111 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 112 4PY 0.00004 0.00002 0.00000 0.00000 0.00000 113 4PZ 0.00001 0.00000 0.00000 0.00000 0.00000 114 8 H 1S 0.00002 0.00003 -0.00001 -0.00060 -0.00203 115 2S 0.00009 0.00032 -0.00060 -0.00429 -0.00751 116 3S -0.00013 0.00014 -0.00203 -0.00751 -0.00628 117 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 118 4PY 0.00004 0.00002 0.00000 0.00000 0.00000 119 4PZ 0.00001 0.00000 0.00005 0.00041 -0.00002 111 112 113 114 115 111 4PX 0.00042 112 4PY -0.00000 0.00059 113 4PZ 0.00000 0.00000 0.00103 114 8 H 1S 0.00000 0.00000 0.00005 0.08310 115 2S 0.00000 0.00000 0.00041 0.08233 0.16428 116 3S 0.00000 0.00000 -0.00002 0.01385 0.04252 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 0.00007 0.00000 0.00000 116 117 118 119 116 3S 0.02390 117 4PX 0.00000 0.00042 118 4PY 0.00000 -0.00000 0.00059 119 4PZ 0.00000 0.00000 0.00000 0.00103 Gross orbital populations: 1 1 1 C 1S 1.10314 2 2S 0.88554 3 2PX 0.20851 4 2PY 0.22449 5 2PZ 0.22757 6 3S 0.74596 7 3PX 0.48980 8 3PY 0.49551 9 3PZ 0.49829 10 4S 0.46024 11 4PX 0.24051 12 4PY 0.30552 13 4PZ 0.32110 14 5S 0.11990 15 5PX -0.00985 16 5PY 0.01744 17 5PZ 0.01526 18 6D 0 0.00271 19 6D+1 0.00184 20 6D-1 0.00254 21 6D+2 0.00321 22 6D-2 0.00208 23 7D 0 0.00428 24 7D+1 0.01683 25 7D-1 0.00345 26 7D+2 0.00915 27 7D-2 0.00983 28 2 C 1S 1.10344 29 2S 0.88548 30 2PX 0.21556 31 2PY 0.16676 32 2PZ 0.24045 33 3S 0.76961 34 3PX 0.50644 35 3PY 0.41965 36 3PZ 0.52121 37 4S 0.42414 38 4PX 0.22114 39 4PY 0.22952 40 4PZ 0.28555 41 5S 0.06608 42 5PX -0.00475 43 5PY 0.01937 44 5PZ 0.01772 45 6D 0 0.00270 46 6D+1 0.00233 47 6D-1 0.00330 48 6D+2 0.00326 49 6D-2 0.00268 50 7D 0 0.01002 51 7D+1 0.02444 52 7D-1 0.02045 53 7D+2 0.02547 54 7D-2 0.03624 55 3 Cl 1S 0.77726 56 2S 1.18773 57 3S 0.89221 58 4S 1.09123 59 5S 1.01233 60 6S 1.03474 61 7S -0.11189 62 7PX -0.01920 63 7PY -0.03704 64 7PZ -0.02540 65 8PX 1.54486 66 8PY 1.55098 67 8PZ 1.54284 68 9PX 0.42600 69 9PY 0.41471 70 9PZ 0.42971 71 10PX 0.37925 72 10PY 0.31436 73 10PZ 0.40035 74 11PX 1.00237 75 11PY 0.81880 76 11PZ 1.06284 77 12PX 0.48069 78 12PY 0.28736 79 12PZ 0.54411 80 13D 0 0.00094 81 13D+1 0.00015 82 13D-1 0.00081 83 13D+2 0.00157 84 13D-2 0.00218 85 14D 0 0.00570 86 14D+1 0.00141 87 14D-1 0.00906 88 14D+2 0.01181 89 14D-2 0.01420 90 4 H 1S 0.28165 91 2S 0.49827 92 3S 0.05221 93 4PX 0.00594 94 4PY 0.00689 95 4PZ 0.01222 96 5 H 1S 0.28165 97 2S 0.49827 98 3S 0.05221 99 4PX 0.00594 100 4PY 0.00689 101 4PZ 0.01222 102 6 H 1S 0.27777 103 2S 0.49451 104 3S 0.08113 105 4PX 0.00649 106 4PY 0.01279 107 4PZ 0.00503 108 7 H 1S 0.27941 109 2S 0.49258 110 3S 0.07120 111 4PX 0.00565 112 4PY 0.00756 113 4PZ 0.01153 114 8 H 1S 0.27941 115 2S 0.49258 116 3S 0.07120 117 4PX 0.00565 118 4PY 0.00756 119 4PZ 0.01153 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.021245 0.258367 -0.013245 -0.048032 -0.048032 0.403022 2 C 0.258367 5.031353 0.205038 0.417390 0.417390 -0.042884 3 Cl -0.013245 0.205038 16.955853 -0.048393 -0.048393 0.010481 4 H -0.048032 0.417390 -0.048393 0.582884 -0.043277 -0.002974 5 H -0.048032 0.417390 -0.048393 -0.043277 0.582884 -0.002974 6 H 0.403022 -0.042884 0.010481 -0.002974 -0.002974 0.568752 7 H 0.415755 -0.034196 -0.006173 -0.007723 0.007306 -0.027857 8 H 0.415755 -0.034196 -0.006173 0.007306 -0.007723 -0.027857 7 8 1 C 0.415755 0.415755 2 C -0.034196 -0.034196 3 Cl -0.006173 -0.006173 4 H -0.007723 0.007306 5 H 0.007306 -0.007723 6 H -0.027857 -0.027857 7 H 0.550717 -0.029911 8 H -0.029911 0.550717 Mulliken charges: 1 1 C -0.404835 2 C -0.218261 3 Cl -0.048996 4 H 0.142818 5 H 0.142818 6 H 0.122292 7 H 0.132081 8 H 0.132081 Sum of Mulliken charges = 0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.018380 2 C 0.067376 3 Cl -0.048996 Electronic spatial extent (au): = 286.4181 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= 1.2015 Y= 1.9014 Z= 0.0000 Tot= 2.2492 Quadrupole moment (field-independent basis, Debye-Ang): XX= -27.2518 YY= -25.9998 ZZ= -26.6085 XY= -0.2499 XZ= -0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.6317 YY= 0.6202 ZZ= 0.0115 XY= -0.2499 XZ= -0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -0.7100 YYY= -1.3419 ZZZ= -0.0000 XYY= -1.7492 XXY= -0.4235 XXZ= -0.0000 XZZ= -0.2830 YZZ= 0.5666 YYZ= 0.0000 XYZ= -0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -209.2728 YYYY= -138.9817 ZZZZ= -43.9898 XXXY= -47.4735 XXXZ= -0.0000 YYYX= -43.3408 YYYZ= 0.0000 ZZZX= 0.0000 ZZZY= -0.0000 XXYY= -54.8919 XXZZ= -41.1368 YYZZ= -31.3734 XXYZ= -0.0000 YYXZ= -0.0000 ZZXY= -18.2163 N-N= 1.020621747667D+02 E-N=-1.481545864450D+03 KE= 5.379731517642D+02 Symmetry A' KE= 4.881349917579D+02 Symmetry A" KE= 4.983816000630D+01 Orbital energies and kinetic energies (alpha): 1 2 1 O -101.536730 137.005516 2 O -10.235498 15.961015 3 O -10.179713 15.955139 4 O -9.450794 21.496899 5 O -7.215191 20.534615 6 O -7.205707 20.550930 7 O -7.205639 20.551005 8 O -0.855299 2.345153 9 O -0.749451 2.000603 10 O -0.626935 1.571963 11 O -0.482906 0.982663 12 O -0.456605 1.308193 13 O -0.417067 1.401704 14 O -0.383847 1.137905 15 O -0.375728 1.633462 16 O -0.299870 2.302304 17 O -0.298290 2.247507 18 V -0.004029 0.915206 19 V 0.010840 0.917520 20 V 0.026741 0.363251 21 V 0.038731 0.285374 22 V 0.043633 0.481611 23 V 0.072035 0.237328 24 V 0.078578 0.270004 25 V 0.081164 0.319406 26 V 0.095261 0.364459 27 V 0.097160 0.792045 28 V 0.113093 0.368841 29 V 0.121554 0.425805 30 V 0.151182 0.583842 31 V 0.153570 0.710441 32 V 0.175395 0.733198 33 V 0.200206 0.736029 34 V 0.224444 1.230917 35 V 0.228517 0.843018 36 V 0.234904 0.776075 37 V 0.368377 1.002489 38 V 0.372171 1.118342 39 V 0.396920 1.111770 40 V 0.401598 1.158113 41 V 0.418464 1.078121 42 V 0.460323 1.595192 43 V 0.463556 1.432938 44 V 0.464360 1.498591 45 V 0.474250 1.601437 46 V 0.494019 1.617267 47 V 0.531617 1.860160 48 V 0.532245 1.403817 49 V 0.535374 1.362747 50 V 0.593335 1.792274 51 V 0.598142 1.654216 52 V 0.600541 1.587940 53 V 0.639047 1.738364 54 V 0.687132 1.896810 55 V 0.725297 2.297451 56 V 0.776872 2.099512 57 V 0.784575 1.648678 58 V 0.844872 1.771005 59 V 0.893928 1.476941 60 V 0.914848 1.966039 61 V 0.962916 2.253508 62 V 1.040377 1.615596 63 V 1.136583 2.484516 64 V 1.166166 1.862109 65 V 1.176177 2.879806 66 V 1.237920 2.228492 67 V 1.244296 2.398526 68 V 1.307890 2.514876 69 V 1.443430 2.094022 70 V 1.612291 2.418159 71 V 1.702396 2.410847 72 V 1.707221 2.499168 73 V 1.784398 2.762612 74 V 1.895700 2.712253 75 V 1.984944 3.907592 76 V 2.109700 3.803432 77 V 2.125026 3.774108 78 V 2.218098 4.629453 79 V 2.230541 5.336690 80 V 2.247872 3.981837 81 V 2.310348 4.466641 82 V 2.347798 5.022027 83 V 2.350771 6.145814 84 V 2.369401 4.534028 85 V 2.376248 6.710063 86 V 2.401930 5.070712 87 V 2.414370 5.873879 88 V 2.446070 4.829717 89 V 2.515293 5.338413 90 V 2.534925 4.802127 91 V 2.620114 5.134104 92 V 2.653134 4.453288 93 V 2.669050 4.530310 94 V 2.730157 4.304184 95 V 2.754013 5.019813 96 V 2.784030 4.744352 97 V 3.120683 6.196031 98 V 3.189187 6.071104 99 V 3.208174 5.881268 100 V 3.228381 5.825037 101 V 3.277258 5.295319 102 V 3.342445 5.174503 103 V 3.392149 5.274025 104 V 3.405627 6.447363 105 V 3.438406 5.128368 106 V 3.498550 5.667525 107 V 3.534258 5.939770 108 V 3.759832 5.798380 109 V 4.181290 6.202068 110 V 4.201505 6.246128 111 V 4.214181 6.283653 112 V 4.430457 7.030559 113 V 9.761237 37.238668 114 V 23.816004 60.270587 115 V 23.965514 60.360453 116 V 25.897928 44.131094 117 V 25.948125 44.249905 118 V 26.883386 46.436087 119 V 215.752950 553.092806 Total kinetic energy from orbitals= 5.379731517642D+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: C2H5Cl chloroethane Storage needed: 43169 in NPA, 57100 in NBO (********** available) GSVD: LWork= 4087 too small for GESVD, short by 15440 words or 15440 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99934 -10.03662 2 C 1 S Val( 2S) 1.09339 -0.27347 3 C 1 S Ryd( 3S) 0.00205 0.61820 4 C 1 S Ryd( 4S) 0.00028 0.70621 5 C 1 S Ryd( 5S) 0.00000 23.31505 6 C 1 px Val( 2p) 1.06142 -0.11262 7 C 1 px Ryd( 4p) 0.00194 0.43487 8 C 1 px Ryd( 3p) 0.00044 0.31512 9 C 1 px Ryd( 5p) 0.00017 3.02797 10 C 1 py Val( 2p) 1.20663 -0.10898 11 C 1 py Ryd( 4p) 0.00205 0.47033 12 C 1 py Ryd( 3p) 0.00005 0.29899 13 C 1 py Ryd( 5p) 0.00001 3.11223 14 C 1 pz Val( 2p) 1.21821 -0.10827 15 C 1 pz Ryd( 4p) 0.00137 0.45052 16 C 1 pz Ryd( 3p) 0.00030 0.29866 17 C 1 pz Ryd( 5p) 0.00000 3.10734 18 C 1 dxy Ryd( 3d) 0.00063 1.71386 19 C 1 dxy Ryd( 4d) 0.00005 2.73214 20 C 1 dxz Ryd( 3d) 0.00033 1.67079 21 C 1 dxz Ryd( 4d) 0.00013 2.69319 22 C 1 dyz Ryd( 3d) 0.00141 1.79089 23 C 1 dyz Ryd( 4d) 0.00001 2.83731 24 C 1 dx2y2 Ryd( 3d) 0.00133 1.90269 25 C 1 dx2y2 Ryd( 4d) 0.00003 2.89565 26 C 1 dz2 Ryd( 3d) 0.00141 1.82552 27 C 1 dz2 Ryd( 4d) 0.00003 2.84321 28 C 2 S Cor( 1S) 1.99917 -10.11285 29 C 2 S Val( 2S) 1.10545 -0.33337 30 C 2 S Ryd( 3S) 0.00279 0.48095 31 C 2 S Ryd( 4S) 0.00049 0.68391 32 C 2 S Ryd( 5S) 0.00001 23.46535 33 C 2 px Val( 2p) 1.05471 -0.13687 34 C 2 px Ryd( 3p) 0.00277 0.43022 35 C 2 px Ryd( 4p) 0.00028 1.01415 36 C 2 px Ryd( 5p) 0.00019 2.54614 37 C 2 py Val( 2p) 0.93926 -0.16073 38 C 2 py Ryd( 3p) 0.00106 0.45946 39 C 2 py Ryd( 4p) 0.00104 1.00093 40 C 2 py Ryd( 5p) 0.00009 2.22965 41 C 2 pz Val( 2p) 1.21744 -0.12546 42 C 2 pz Ryd( 3p) 0.00184 0.47668 43 C 2 pz Ryd( 4p) 0.00029 1.04451 44 C 2 pz Ryd( 5p) 0.00014 2.38899 45 C 2 dxy Ryd( 3d) 0.00186 1.18031 46 C 2 dxy Ryd( 4d) 0.00013 3.24303 47 C 2 dxz Ryd( 3d) 0.00130 1.13795 48 C 2 dxz Ryd( 4d) 0.00012 3.18801 49 C 2 dyz Ryd( 3d) 0.00240 1.21672 50 C 2 dyz Ryd( 4d) 0.00012 3.30510 51 C 2 dx2y2 Ryd( 3d) 0.00267 1.36924 52 C 2 dx2y2 Ryd( 4d) 0.00009 3.31262 53 C 2 dz2 Ryd( 3d) 0.00250 1.27342 54 C 2 dz2 Ryd( 4d) 0.00007 3.30120 55 Cl 3 S Cor( 1S) 2.00000 -100.30046 56 Cl 3 S Cor( 2S) 1.99981 -10.41300 57 Cl 3 S Val( 3S) 1.86997 -0.97079 58 Cl 3 S Ryd( 4S) 0.00219 0.79001 59 Cl 3 S Ryd( 5S) 0.00032 1.59499 60 Cl 3 S Ryd( 6S) 0.00000 16.63544 61 Cl 3 S Ryd( 7S) 0.00000 207.98256 62 Cl 3 px Cor( 2p) 1.99999 -7.20293 63 Cl 3 px Val( 3p) 1.83443 -0.30121 64 Cl 3 px Ryd( 4p) 0.00173 0.43275 65 Cl 3 px Ryd( 5p) 0.00011 0.53121 66 Cl 3 px Ryd( 6p) 0.00000 5.51045 67 Cl 3 px Ryd( 7p) 0.00000 22.59352 68 Cl 3 py Cor( 2p) 1.99996 -7.20772 69 Cl 3 py Val( 3p) 1.39243 -0.27211 70 Cl 3 py Ryd( 4p) 0.00256 0.40128 71 Cl 3 py Ryd( 5p) 0.00043 0.48996 72 Cl 3 py Ryd( 6p) 0.00001 6.04059 73 Cl 3 py Ryd( 7p) 0.00000 22.40756 74 Cl 3 pz Cor( 2p) 1.99999 -7.20131 75 Cl 3 pz Val( 3p) 1.97803 -0.30993 76 Cl 3 pz Ryd( 4p) 0.00138 0.39985 77 Cl 3 pz Ryd( 5p) 0.00015 0.49851 78 Cl 3 pz Ryd( 6p) 0.00000 5.15633 79 Cl 3 pz Ryd( 7p) 0.00000 22.69548 80 Cl 3 dxy Ryd( 3d) 0.00368 0.94058 81 Cl 3 dxy Ryd( 4d) 0.00001 2.55753 82 Cl 3 dxz Ryd( 3d) 0.00027 0.64014 83 Cl 3 dxz Ryd( 4d) 0.00002 2.34058 84 Cl 3 dyz Ryd( 3d) 0.00149 0.78531 85 Cl 3 dyz Ryd( 4d) 0.00000 2.50494 86 Cl 3 dx2y2 Ryd( 3d) 0.00251 0.91670 87 Cl 3 dx2y2 Ryd( 4d) 0.00001 2.56596 88 Cl 3 dz2 Ryd( 3d) 0.00152 0.75569 89 Cl 3 dz2 Ryd( 4d) 0.00001 2.41925 90 H 4 S Val( 1S) 0.79784 0.01191 91 H 4 S Ryd( 2S) 0.00142 0.52356 92 H 4 S Ryd( 3S) 0.00013 2.23698 93 H 4 px Ryd( 2p) 0.00016 2.11120 94 H 4 py Ryd( 2p) 0.00016 2.15630 95 H 4 pz Ryd( 2p) 0.00023 2.49698 96 H 5 S Val( 1S) 0.79784 0.01191 97 H 5 S Ryd( 2S) 0.00142 0.52356 98 H 5 S Ryd( 3S) 0.00013 2.23698 99 H 5 px Ryd( 2p) 0.00016 2.11120 100 H 5 py Ryd( 2p) 0.00016 2.15630 101 H 5 pz Ryd( 2p) 0.00023 2.49698 102 H 6 S Val( 1S) 0.79169 0.01425 103 H 6 S Ryd( 2S) 0.00077 0.75934 104 H 6 S Ryd( 3S) 0.00009 1.96150 105 H 6 px Ryd( 2p) 0.00015 2.14574 106 H 6 py Ryd( 2p) 0.00020 2.63436 107 H 6 pz Ryd( 2p) 0.00010 1.90851 108 H 7 S Val( 1S) 0.78980 0.02573 109 H 7 S Ryd( 2S) 0.00103 0.71039 110 H 7 S Ryd( 3S) 0.00010 2.02528 111 H 7 px Ryd( 2p) 0.00014 2.10924 112 H 7 py Ryd( 2p) 0.00015 2.13078 113 H 7 pz Ryd( 2p) 0.00019 2.49528 114 H 8 S Val( 1S) 0.78980 0.02573 115 H 8 S Ryd( 2S) 0.00103 0.71039 116 H 8 S Ryd( 3S) 0.00010 2.02528 117 H 8 px Ryd( 2p) 0.00014 2.10924 118 H 8 py Ryd( 2p) 0.00015 2.13078 119 H 8 pz Ryd( 2p) 0.00019 2.49528 WARNING: Population inversion found on atom C 1 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.59303 1.99934 4.57966 0.01402 6.59303 C 2 -0.33827 1.99917 4.31686 0.02224 6.33827 Cl 3 -0.09301 9.99975 7.07486 0.01840 17.09301 H 4 0.20006 0.00000 0.79784 0.00211 0.79994 H 5 0.20006 0.00000 0.79784 0.00211 0.79994 H 6 0.20700 0.00000 0.79169 0.00131 0.79300 H 7 0.20859 0.00000 0.78980 0.00161 0.79141 H 8 0.20859 0.00000 0.78980 0.00161 0.79141 ======================================================================= * Total * 0.00000 13.99826 19.93834 0.06341 34.00000 Natural Population -------------------------------------------------------- Core 13.99826 ( 99.9875% of 14) Valence 19.93834 ( 99.6917% of 20) Natural Minimal Basis 33.93659 ( 99.8135% of 34) Natural Rydberg Basis 0.06341 ( 0.1865% of 34) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.09)2p( 3.49)3d( 0.01)4p( 0.01) C 2 [core]2S( 1.11)2p( 3.21)3p( 0.01)3d( 0.01) Cl 3 [core]3S( 1.87)3p( 5.20)3d( 0.01)4p( 0.01) H 4 1S( 0.80) H 5 1S( 0.80) H 6 1S( 0.79) H 7 1S( 0.79) H 8 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 33.86479 0.13521 7 7 0 3 0 0 0.05 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 13.99825 ( 99.988% of 14) Valence Lewis 19.86654 ( 99.333% of 20) ================== ============================ Total Lewis 33.86479 ( 99.602% of 34) ----------------------------------------------------- Valence non-Lewis 0.10399 ( 0.306% of 34) Rydberg non-Lewis 0.03121 ( 0.092% of 34) ================== ============================ Total non-Lewis 0.13521 ( 0.398% of 34) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.99618) BD ( 1) C 1 - C 2 ( 48.87%) 0.6991* C 1 s( 29.16%)p 2.43( 70.73%)d 0.00( 0.11%) 0.0002 0.5390 -0.0318 0.0058 0.0002 -0.8381 0.0271 0.0135 0.0016 0.0633 -0.0031 -0.0002 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.0065 0.0021 -0.0000 -0.0000 0.0000 -0.0000 0.0272 -0.0010 -0.0171 0.0013 ( 51.13%) 0.7150* C 2 s( 32.35%)p 2.09( 67.53%)d 0.00( 0.12%) 0.0001 0.5682 -0.0240 -0.0095 0.0003 0.8148 -0.0147 -0.0032 0.0073 -0.1051 -0.0094 -0.0007 -0.0010 0.0000 0.0000 0.0000 -0.0000 -0.0120 0.0015 -0.0000 0.0000 0.0000 -0.0000 0.0242 0.0060 -0.0203 0.0006 2. (1.97582) BD ( 1) C 1 - H 6 ( 60.18%) 0.7758* C 1 s( 23.21%)p 3.30( 76.68%)d 0.00( 0.11%) -0.0002 0.4817 0.0075 -0.0024 -0.0002 0.3688 -0.0102 0.0049 0.0005 0.7940 0.0126 0.0024 0.0001 -0.0000 -0.0000 -0.0000 -0.0000 0.0167 0.0025 -0.0000 -0.0000 0.0000 -0.0000 -0.0211 -0.0002 -0.0189 0.0022 ( 39.82%) 0.6310* H 6 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0010 0.0003 -0.0090 -0.0132 0.0000 3. (1.98862) BD ( 1) C 1 - H 7 ( 60.53%) 0.7780* C 1 s( 23.87%)p 3.18( 76.03%)d 0.00( 0.10%) 0.0000 0.4885 0.0107 -0.0011 -0.0000 0.2808 -0.0123 0.0017 0.0004 -0.4265 -0.0040 -0.0016 -0.0002 0.7065 0.0130 0.0012 0.0005 -0.0062 -0.0011 0.0114 0.0019 -0.0235 0.0007 -0.0021 -0.0026 0.0166 0.0007 ( 39.47%) 0.6283* H 7 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0013 -0.0000 -0.0062 0.0078 -0.0119 4. (1.98862) BD ( 1) C 1 - H 8 ( 60.53%) 0.7780* C 1 s( 23.87%)p 3.18( 76.03%)d 0.00( 0.10%) 0.0000 0.4885 0.0107 -0.0011 -0.0000 0.2808 -0.0123 0.0017 0.0004 -0.4265 -0.0040 -0.0016 -0.0002 -0.7065 -0.0130 -0.0012 -0.0005 -0.0062 -0.0011 -0.0114 -0.0019 0.0235 -0.0007 -0.0021 -0.0026 0.0166 0.0007 ( 39.47%) 0.6283* H 8 s( 99.98%)p 0.00( 0.02%) 0.9999 0.0013 -0.0000 -0.0062 0.0078 0.0119 5. (1.99075) BD ( 1) C 2 -Cl 3 ( 43.54%) 0.6599* C 2 s( 18.10%)p 4.51( 81.56%)d 0.02( 0.34%) -0.0001 -0.4244 0.0267 -0.0138 0.0011 0.3998 -0.0248 -0.0116 -0.0046 0.8087 -0.0085 -0.0283 -0.0028 -0.0000 0.0000 0.0000 -0.0000 -0.0373 0.0028 -0.0000 0.0000 0.0000 -0.0000 0.0273 -0.0005 0.0350 -0.0056 ( 56.46%) 0.7514*Cl 3 s( 14.83%)p 5.71( 84.64%)d 0.04( 0.53%) -0.0000 -0.0001 -0.3829 -0.0411 -0.0032 0.0000 0.0000 -0.0000 -0.4035 0.0186 0.0056 0.0009 0.0001 -0.0001 -0.8255 0.0396 0.0112 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0512 0.0011 0.0000 0.0000 0.0000 0.0000 0.0372 -0.0003 0.0358 -0.0003 6. (1.98745) BD ( 1) C 2 - H 4 ( 60.48%) 0.7777* C 2 s( 24.87%)p 3.02( 75.00%)d 0.01( 0.13%) -0.0000 0.4983 0.0208 -0.0003 0.0002 -0.2940 0.0010 -0.0051 0.0022 0.4053 0.0014 0.0049 -0.0003 0.7064 0.0132 0.0096 0.0014 -0.0044 -0.0051 -0.0182 -0.0024 0.0203 0.0062 -0.0026 -0.0013 0.0206 0.0032 ( 39.52%) 0.6287* H 4 s( 99.97%)p 0.00( 0.03%) 0.9998 -0.0039 -0.0001 0.0079 -0.0052 -0.0141 7. (1.98745) BD ( 1) C 2 - H 5 ( 60.48%) 0.7777* C 2 s( 24.87%)p 3.02( 75.00%)d 0.01( 0.13%) -0.0000 0.4983 0.0208 -0.0003 0.0002 -0.2940 0.0010 -0.0051 0.0022 0.4053 0.0014 0.0049 -0.0003 -0.7064 -0.0132 -0.0096 -0.0014 -0.0044 -0.0051 0.0182 0.0024 -0.0203 -0.0062 -0.0026 -0.0013 0.0206 0.0032 ( 39.52%) 0.6287* H 5 s( 99.97%)p 0.00( 0.03%) 0.9998 -0.0039 -0.0001 0.0079 -0.0052 0.0141 8. (1.99934) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0000 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 9. (1.99916) 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 10. (2.00000) CR ( 1)Cl 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 11. (1.99981) CR ( 2)Cl 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 -0.0001 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 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.99999) CR ( 3)Cl 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 13. (1.99996) CR ( 4)Cl 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 -0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 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. (1.99999) CR ( 5)Cl 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 15. (1.99717) LP ( 1)Cl 3 s( 84.63%)p 0.18( 15.36%)d 0.00( 0.01%) -0.0000 -0.0001 0.9199 -0.0098 -0.0004 -0.0000 -0.0000 -0.0000 -0.0885 0.0076 -0.0007 0.0001 -0.0002 -0.0001 -0.3815 0.0118 -0.0007 0.0001 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0049 -0.0017 0.0000 0.0000 0.0000 0.0000 0.0046 0.0012 0.0038 0.0012 16. (1.97870) LP ( 2)Cl 3 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0001 0.9998 0.0143 0.0038 0.0008 0.0000 0.0000 0.0000 0.0068 -0.0010 0.0083 0.0004 0.0000 0.0000 0.0000 0.0000 17. (1.97578) LP ( 3)Cl 3 s( 0.66%)p99.99( 99.33%)d 0.02( 0.01%) -0.0000 -0.0001 0.0813 0.0009 -0.0006 0.0001 0.0000 -0.0000 -0.9096 -0.0107 -0.0032 0.0009 0.0001 -0.0001 0.4071 0.0082 -0.0002 0.0006 -0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0079 0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.0082 0.0002 -0.0006 0.0006 18. (0.00328) RY*( 1) C 1 s( 22.00%)p 3.42( 75.26%)d 0.12( 2.73%) -0.0000 0.0027 0.4542 0.1169 0.0078 -0.0260 -0.4207 -0.2162 0.0258 0.0176 -0.7238 0.0521 -0.0256 0.0000 0.0000 0.0000 0.0000 -0.1269 -0.0837 0.0000 0.0000 -0.0000 0.0000 0.0342 -0.0200 0.0112 0.0501 19. (0.00152) RY*( 2) C 1 s( 0.00%)p 1.00( 86.36%)d 0.16( 13.64%) 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0246 0.8204 -0.4349 0.0271 -0.0000 -0.0000 0.1171 0.2591 -0.2280 0.0596 -0.0000 -0.0000 0.0000 0.0000 20. (0.00049) RY*( 3) C 1 s( 32.19%)p 1.78( 57.32%)d 0.33( 10.49%) -0.0000 -0.0027 0.2596 0.5037 -0.0283 -0.0123 -0.2662 0.1000 0.5845 -0.0065 0.3718 0.1019 0.0442 0.0000 0.0000 0.0000 0.0000 0.2375 -0.1032 0.0000 0.0000 -0.0000 0.0000 0.1354 -0.1199 -0.0564 -0.0439 21. (0.00041) RY*( 4) C 1 s( 6.84%)p 8.47( 57.92%)d 5.15( 35.24%) 0.0000 -0.0030 0.0801 0.2484 0.0162 0.0228 0.5066 0.3445 -0.0392 -0.0152 -0.3877 -0.1940 0.1165 -0.0000 -0.0000 -0.0000 -0.0000 0.4474 -0.1049 -0.0000 -0.0000 0.0000 -0.0000 0.0061 -0.0470 -0.3449 0.1415 22. (0.00020) RY*( 5) C 1 s( 20.78%)p 2.76( 57.31%)d 1.05( 21.91%) 0.0000 0.0051 -0.1342 0.4356 0.0017 0.0319 0.4812 -0.5298 -0.0186 0.0111 -0.0470 0.2265 -0.0766 -0.0000 -0.0000 -0.0000 -0.0000 -0.2522 -0.0599 -0.0000 -0.0000 0.0000 -0.0000 0.3704 -0.0997 0.0656 -0.0221 23. (0.00007) RY*( 6) C 1 s( 0.00%)p 1.00( 16.91%)d 4.91( 83.09%) 24. (0.00000) RY*( 7) C 1 s( 99.89%)p 0.00( 0.10%)d 0.00( 0.00%) 25. (0.00000) RY*( 8) C 1 s( 1.44%)p65.86( 94.74%)d 2.66( 3.83%) 26. (0.00000) RY*( 9) C 1 s( 0.05%)p99.99( 98.86%)d20.36( 1.09%) 27. (0.00000) RY*(10) C 1 s( 66.12%)p 0.38( 25.08%)d 0.13( 8.80%) 28. (0.00000) RY*(11) C 1 s( 0.00%)p 1.00( 96.92%)d 0.03( 3.08%) 29. (0.00000) RY*(12) C 1 s( 0.00%)p 1.00( 94.45%)d 0.06( 5.55%) 30. (0.00000) RY*(13) C 1 s( 2.97%)p15.26( 45.39%)d17.36( 51.63%) 31. (0.00000) RY*(14) C 1 s( 1.93%)p 0.61( 1.17%)d50.13( 96.89%) 32. (0.00000) RY*(15) C 1 s( 0.00%)p 1.00( 0.85%)d99.99( 99.15%) 33. (0.00000) RY*(16) C 1 s( 0.00%)p 1.00( 4.56%)d20.95( 95.44%) 34. (0.00000) RY*(17) C 1 s( 20.35%)p 3.64( 73.99%)d 0.28( 5.66%) 35. (0.00000) RY*(18) C 1 s( 0.00%)p 1.00( 0.10%)d99.99( 99.90%) 36. (0.00001) RY*(19) C 1 s( 23.26%)p 0.01( 0.19%)d 3.29( 76.55%) 37. (0.00000) RY*(20) C 1 s( 1.53%)p 0.62( 0.95%)d63.89( 97.53%) 38. (0.00000) RY*(21) C 1 s( 0.48%)p20.01( 9.59%)d99.99( 89.93%) 39. (0.00000) RY*(22) C 1 s( 0.05%)p50.64( 2.53%)d99.99( 97.42%) 40. (0.00397) RY*( 1) C 2 s( 3.30%)p16.73( 55.25%)d12.55( 41.45%) -0.0000 -0.0011 0.1731 0.0551 -0.0021 0.0380 0.7018 -0.0255 -0.1126 0.0087 0.1936 0.0878 0.0042 -0.0000 -0.0000 -0.0000 0.0000 -0.2359 0.0231 0.0000 0.0000 -0.0000 -0.0000 -0.5889 0.0953 0.0458 0.0189 41. (0.00277) RY*( 2) C 2 s( 0.00%)p 1.00( 38.80%)d 1.58( 61.20%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0003 0.5979 -0.1653 -0.0572 0.0000 0.0000 -0.3946 0.0599 -0.6674 0.0855 0.0000 0.0000 -0.0000 -0.0000 42. (0.00149) RY*( 3) C 2 s( 18.07%)p 3.90( 70.55%)d 0.63( 11.37%) -0.0000 -0.0031 0.3455 0.2472 -0.0143 0.0113 -0.2410 0.1540 -0.0444 -0.0040 -0.6944 0.3699 -0.0516 -0.0000 -0.0000 -0.0000 0.0000 -0.0263 0.1027 0.0000 -0.0000 -0.0000 0.0000 -0.3156 0.0391 -0.0325 -0.0162 43. (0.00108) RY*( 4) C 2 s( 27.10%)p 1.05( 28.35%)d 1.64( 44.56%) -0.0000 0.0118 0.5189 0.0381 0.0108 -0.0054 -0.2717 -0.1779 0.0171 -0.0688 0.0932 -0.3159 0.2540 -0.0000 -0.0000 -0.0000 0.0000 -0.5292 -0.1759 0.0000 -0.0000 -0.0000 0.0000 0.0454 -0.0459 0.3596 -0.0335 44. (0.00106) RY*( 5) C 2 s( 0.00%)p 1.00( 52.79%)d 0.89( 47.21%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0335 0.6342 -0.0544 0.3488 0.0000 -0.0000 -0.1305 -0.3054 0.6015 -0.0001 -0.0000 0.0000 0.0000 -0.0000 45. (0.00049) RY*( 6) C 2 s( 43.92%)p 0.56( 24.76%)d 0.71( 31.32%) -0.0000 -0.0001 0.5191 -0.4039 -0.0814 0.0109 0.3012 -0.2530 -0.2437 -0.0184 -0.1569 0.0907 -0.0121 -0.0000 -0.0000 -0.0000 0.0000 0.4181 -0.0967 0.0000 -0.0000 -0.0000 -0.0000 0.3302 0.0441 0.0564 -0.1221 46. (0.00013) RY*( 7) C 2 s( 41.53%)p 1.10( 45.78%)d 0.31( 12.69%) 0.0000 -0.0034 -0.0215 0.6420 0.0509 0.0059 0.3519 -0.3792 0.3758 0.0003 -0.2044 -0.0847 -0.0020 0.0000 0.0000 0.0000 0.0000 0.1192 -0.0109 -0.0000 -0.0000 0.0000 0.0000 0.2765 -0.1447 0.1209 0.0233 47. (0.00005) RY*( 8) C 2 s( 7.57%)p 6.23( 47.13%)d 5.99( 45.30%) 48. (0.00000) RY*( 9) C 2 s( 6.30%)p14.41( 90.85%)d 0.45( 2.85%) 49. (0.00000) RY*(10) C 2 s( 23.62%)p 2.43( 57.32%)d 0.81( 19.06%) 50. (0.00000) RY*(11) C 2 s( 0.00%)p 1.00( 99.39%)d 0.01( 0.61%) 51. (0.00000) RY*(12) C 2 s( 0.00%)p 1.00( 89.07%)d 0.12( 10.93%) 52. (0.00000) RY*(13) C 2 s( 19.14%)p 4.03( 77.17%)d 0.19( 3.68%) 53. (0.00000) RY*(14) C 2 s( 1.50%)p 1.78( 2.67%)d63.90( 95.83%) 54. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 15.70%)d 5.37( 84.30%) 55. (0.00000) RY*(16) C 2 s( 0.00%)p 1.00( 4.10%)d23.36( 95.90%) 56. (0.00000) RY*(17) C 2 s( 99.57%)p 0.00( 0.13%)d 0.00( 0.31%) 57. (0.00000) RY*(18) C 2 s( 0.00%)p 1.00( 0.30%)d99.99( 99.70%) 58. (0.00000) RY*(19) C 2 s( 0.27%)p99.99( 85.56%)d53.01( 14.17%) 59. (0.00000) RY*(20) C 2 s( 0.95%)p 1.77( 1.68%)d99.99( 97.37%) 60. (0.00000) RY*(21) C 2 s( 6.16%)p 2.08( 12.83%)d13.15( 81.01%) 61. (0.00000) RY*(22) C 2 s( 0.81%)p 0.87( 0.71%)d99.99( 98.48%) 62. (0.00276) RY*( 1)Cl 3 s( 4.61%)p10.77( 49.68%)d 9.91( 45.70%) 0.0000 -0.0000 0.0029 -0.1231 0.1760 0.0010 -0.0000 -0.0000 0.0034 0.5663 -0.0506 -0.0244 0.0028 -0.0000 0.0102 -0.3139 0.2725 0.0037 0.0014 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.4256 -0.0011 0.0000 0.0000 0.0000 0.0000 -0.5160 -0.0391 0.0834 -0.0342 63. (0.00255) RY*( 2)Cl 3 s( 0.00%)p 1.00( 42.45%)d 1.36( 57.55%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0006 -0.6174 0.2080 -0.0022 -0.0058 0.0000 0.0000 0.2047 0.0588 0.7281 0.0100 0.0000 0.0000 0.0000 0.0000 64. (0.00088) RY*( 3)Cl 3 s( 23.24%)p 2.13( 49.48%)d 1.17( 27.28%) -0.0000 0.0000 -0.0116 -0.0292 0.4811 0.0022 0.0000 0.0000 -0.0279 -0.4089 0.0897 -0.0170 0.0016 0.0000 -0.0561 -0.5067 0.2402 -0.0291 -0.0036 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.3648 0.0274 -0.0000 -0.0000 -0.0000 -0.0000 -0.1993 -0.0449 -0.3116 -0.0116 65. (0.00015) RY*( 4)Cl 3 s( 33.44%)p 0.82( 27.37%)d 1.17( 39.19%) -0.0000 0.0000 -0.0173 0.4203 -0.3964 0.0183 -0.0001 0.0000 -0.0238 0.0195 -0.4738 -0.0165 -0.0126 0.0000 -0.0580 -0.0734 -0.1965 0.0187 -0.0087 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.2914 -0.0759 -0.0000 -0.0000 -0.0000 -0.0000 -0.5073 0.0699 -0.1865 0.0650 66. (0.00010) RY*( 5)Cl 3 s( 0.00%)p 1.00( 9.62%)d 9.39( 90.38%) 67. (0.00004) RY*( 6)Cl 3 s( 41.30%)p 0.51( 20.94%)d 0.91( 37.76%) 68. (0.00000) RY*( 7)Cl 3 s( 0.11%)p99.99( 99.78%)d 0.89( 0.10%) 69. (0.00000) RY*( 8)Cl 3 s( 0.08%)p99.99( 99.82%)d 1.31( 0.10%) 70. (0.00000) RY*( 9)Cl 3 s( 99.94%)p 0.00( 0.02%)d 0.00( 0.03%) 71. (0.00000) RY*(10)Cl 3 s( 9.55%)p 9.43( 90.03%)d 0.04( 0.42%) 72. (0.00000) RY*(11)Cl 3 s( 4.73%)p19.60( 92.66%)d 0.55( 2.61%) 73. (0.00000) RY*(12)Cl 3 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 74. (0.00000) RY*(13)Cl 3 s( 0.00%)p 1.00( 69.22%)d 0.44( 30.78%) 75. (0.00000) RY*(14)Cl 3 s( 0.00%)p 1.00( 77.37%)d 0.29( 22.63%) 76. (0.00000) RY*(15)Cl 3 s( 0.00%)p 1.00( 99.99%)d 0.00( 0.01%) 77. (0.00000) RY*(16)Cl 3 s( 0.00%)p 1.00( 99.98%)d 0.00( 0.02%) 78. (0.00000) RY*(17)Cl 3 s( 0.73%)p61.74( 45.32%)d73.47( 53.94%) 79. (0.00000) RY*(18)Cl 3 s( 2.20%)p 0.22( 0.49%)d44.20( 97.31%) 80. (0.00000) RY*(19)Cl 3 s(100.00%)p 0.00( 0.00%)d 0.00( 0.00%) 81. (0.00000) RY*(20)Cl 3 s( 0.00%)p 1.00( 1.21%)d81.46( 98.79%) 82. (0.00000) RY*(21)Cl 3 s( 52.48%)p 0.71( 37.06%)d 0.20( 10.45%) 83. (0.00000) RY*(22)Cl 3 s( 0.00%)p 1.00( 0.17%)d99.99( 99.83%) 84. (0.00000) RY*(23)Cl 3 s( 10.21%)p 5.37( 54.86%)d 3.42( 34.94%) 85. (0.00000) RY*(24)Cl 3 s( 1.12%)p 2.17( 2.44%)d85.87( 96.44%) 86. (0.00000) RY*(25)Cl 3 s( 14.31%)p 2.13( 30.50%)d 3.86( 55.19%) 87. (0.00000) RY*(26)Cl 3 s( 1.79%)p 0.12( 0.22%)d54.66( 97.99%) 88. (0.00149) RY*( 1) H 4 s( 96.02%)p 0.04( 3.98%) 0.0059 0.9799 -0.0011 -0.0534 0.1868 0.0457 89. (0.00019) RY*( 2) H 4 s( 42.19%)p 1.37( 57.81%) 0.0011 -0.0261 0.6490 0.6302 0.2340 0.3551 90. (0.00011) RY*( 3) H 4 s( 31.87%)p 2.14( 68.13%) 0.0018 0.1104 0.5536 -0.3786 -0.7195 0.1423 91. (0.00006) RY*( 4) H 4 s( 26.03%)p 2.84( 73.97%) 92. (0.00004) RY*( 5) H 4 s( 3.92%)p24.51( 96.08%) 93. (0.00149) RY*( 1) H 5 s( 96.02%)p 0.04( 3.98%) 0.0059 0.9799 -0.0011 -0.0534 0.1868 -0.0457 94. (0.00019) RY*( 2) H 5 s( 42.19%)p 1.37( 57.81%) 0.0011 -0.0261 0.6490 0.6302 0.2340 -0.3551 95. (0.00011) RY*( 3) H 5 s( 31.87%)p 2.14( 68.13%) 0.0018 0.1104 0.5536 -0.3786 -0.7195 -0.1423 96. (0.00006) RY*( 4) H 5 s( 26.03%)p 2.84( 73.97%) 97. (0.00004) RY*( 5) H 5 s( 3.92%)p24.51( 96.08%) 98. (0.00081) RY*( 1) H 6 s( 96.00%)p 0.04( 4.00%) -0.0041 0.9798 0.0004 -0.1464 -0.1364 0.0000 99. (0.00014) RY*( 2) H 6 s( 48.74%)p 1.05( 51.26%) 0.0009 -0.0188 0.6979 -0.5506 0.4576 0.0000 100. (0.00010) RY*( 3) H 6 s( 0.00%)p 1.00(100.00%) 101. (0.00005) RY*( 4) H 6 s( 47.88%)p 1.09( 52.12%) 102. (0.00002) RY*( 5) H 6 s( 7.40%)p12.51( 92.60%) 103. (0.00105) RY*( 1) H 7 s( 98.01%)p 0.02( 1.99%) -0.0029 0.9900 0.0041 -0.1313 0.0257 -0.0446 104. (0.00015) RY*( 2) H 7 s( 45.80%)p 1.18( 54.20%) 0.0016 -0.0630 0.6738 -0.6038 -0.0352 0.4199 105. (0.00010) RY*( 3) H 7 s( 0.06%)p99.99( 99.94%) -0.0012 0.0224 0.0089 0.2176 0.8998 0.3774 106. (0.00006) RY*( 4) H 7 s( 54.72%)p 0.83( 45.28%) 107. (0.00004) RY*( 5) H 7 s( 1.44%)p68.47( 98.56%) 108. (0.00105) RY*( 1) H 8 s( 98.01%)p 0.02( 1.99%) -0.0029 0.9900 0.0041 -0.1313 0.0257 0.0446 109. (0.00015) RY*( 2) H 8 s( 45.80%)p 1.18( 54.20%) 0.0016 -0.0630 0.6738 -0.6038 -0.0352 -0.4199 110. (0.00010) RY*( 3) H 8 s( 0.06%)p99.99( 99.94%) -0.0012 0.0224 0.0089 0.2176 0.8998 -0.3774 111. (0.00006) RY*( 4) H 8 s( 54.72%)p 0.83( 45.28%) 112. (0.00004) RY*( 5) H 8 s( 1.44%)p68.47( 98.56%) 113. (0.01165) BD*( 1) C 1 - C 2 ( 51.13%) 0.7150* C 1 s( 29.16%)p 2.43( 70.73%)d 0.00( 0.11%) 0.0002 0.5390 -0.0318 0.0058 0.0002 -0.8381 0.0271 0.0135 0.0016 0.0633 -0.0031 -0.0002 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.0065 0.0021 -0.0000 -0.0000 0.0000 -0.0000 0.0272 -0.0010 -0.0171 0.0013 ( 48.87%) -0.6991* C 2 s( 32.35%)p 2.09( 67.53%)d 0.00( 0.12%) 0.0001 0.5682 -0.0240 -0.0095 0.0003 0.8148 -0.0147 -0.0032 0.0073 -0.1051 -0.0094 -0.0007 -0.0010 0.0000 0.0000 0.0000 -0.0000 -0.0120 0.0015 -0.0000 0.0000 0.0000 -0.0000 0.0242 0.0060 -0.0203 0.0006 114. (0.00851) BD*( 1) C 1 - H 6 ( 39.82%) 0.6310* C 1 s( 23.21%)p 3.30( 76.68%)d 0.00( 0.11%) 0.0002 -0.4817 -0.0075 0.0024 0.0002 -0.3688 0.0102 -0.0049 -0.0005 -0.7940 -0.0126 -0.0024 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0167 -0.0025 0.0000 0.0000 -0.0000 0.0000 0.0211 0.0002 0.0189 -0.0022 ( 60.18%) -0.7758* H 6 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0010 -0.0003 0.0090 0.0132 -0.0000 115. (0.00826) BD*( 1) C 1 - H 7 ( 39.47%) 0.6283* C 1 s( 23.87%)p 3.18( 76.03%)d 0.00( 0.10%) -0.0000 -0.4885 -0.0107 0.0011 0.0000 -0.2808 0.0123 -0.0017 -0.0004 0.4265 0.0040 0.0016 0.0002 -0.7065 -0.0130 -0.0012 -0.0005 0.0062 0.0011 -0.0114 -0.0019 0.0235 -0.0007 0.0021 0.0026 -0.0166 -0.0007 ( 60.53%) -0.7780* H 7 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0013 0.0000 0.0062 -0.0078 0.0119 116. (0.00826) BD*( 1) C 1 - H 8 ( 39.47%) 0.6283* C 1 s( 23.87%)p 3.18( 76.03%)d 0.00( 0.10%) -0.0000 -0.4885 -0.0107 0.0011 0.0000 -0.2808 0.0123 -0.0017 -0.0004 0.4265 0.0040 0.0016 0.0002 0.7065 0.0130 0.0012 0.0005 0.0062 0.0011 0.0114 0.0019 -0.0235 0.0007 0.0021 0.0026 -0.0166 -0.0007 ( 60.53%) -0.7780* H 8 s( 99.98%)p 0.00( 0.02%) -0.9999 -0.0013 0.0000 0.0062 -0.0078 -0.0119 117. (0.02573) BD*( 1) C 2 -Cl 3 ( 56.46%) 0.7514* C 2 s( 18.10%)p 4.51( 81.56%)d 0.02( 0.34%) -0.0001 -0.4244 0.0267 -0.0138 0.0011 0.3998 -0.0248 -0.0116 -0.0046 0.8087 -0.0085 -0.0283 -0.0028 -0.0000 0.0000 0.0000 -0.0000 -0.0373 0.0028 -0.0000 0.0000 0.0000 -0.0000 0.0273 -0.0005 0.0350 -0.0056 ( 43.54%) -0.6599*Cl 3 s( 14.83%)p 5.71( 84.64%)d 0.04( 0.53%) -0.0000 -0.0001 -0.3829 -0.0411 -0.0032 0.0000 0.0000 -0.0000 -0.4035 0.0186 0.0056 0.0009 0.0001 -0.0001 -0.8255 0.0396 0.0112 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0512 0.0011 0.0000 0.0000 0.0000 0.0000 0.0372 -0.0003 0.0358 -0.0003 118. (0.02079) BD*( 1) C 2 - H 4 ( 39.52%) 0.6287* C 2 s( 24.87%)p 3.02( 75.00%)d 0.01( 0.13%) 0.0000 -0.4983 -0.0208 0.0003 -0.0002 0.2940 -0.0010 0.0051 -0.0022 -0.4053 -0.0014 -0.0049 0.0003 -0.7064 -0.0132 -0.0096 -0.0014 0.0044 0.0051 0.0182 0.0024 -0.0203 -0.0062 0.0026 0.0013 -0.0206 -0.0032 ( 60.48%) -0.7777* H 4 s( 99.97%)p 0.00( 0.03%) -0.9998 0.0039 0.0001 -0.0079 0.0052 0.0141 119. (0.02079) BD*( 1) C 2 - H 5 ( 39.52%) 0.6287* C 2 s( 24.87%)p 3.02( 75.00%)d 0.01( 0.13%) 0.0000 -0.4983 -0.0208 0.0003 -0.0002 0.2940 -0.0010 0.0051 -0.0022 -0.4053 -0.0014 -0.0049 0.0003 0.7064 0.0132 0.0096 0.0014 0.0044 0.0051 -0.0182 -0.0024 0.0203 0.0062 0.0026 0.0013 -0.0206 -0.0032 ( 60.48%) -0.7777* H 5 s( 99.97%)p 0.00( 0.03%) -0.9998 0.0039 0.0001 -0.0079 0.0052 -0.0141 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 90.0 174.7 -- -- -- 90.0 351.8 3.0 5. BD ( 1) C 2 -Cl 3 90.0 243.2 90.0 245.0 1.8 -- -- -- 16. LP ( 2)Cl 3 -- -- 0.0 0.0 -- -- -- -- 17. LP ( 3)Cl 3 -- -- 90.0 155.8 -- -- -- -- 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)Cl 3 0.64 1.30 0.026 2. BD ( 1) C 1 - H 6 /117. BD*( 1) C 2 -Cl 3 5.70 0.61 0.053 3. BD ( 1) C 1 - H 7 /119. BD*( 1) C 2 - H 5 2.76 0.89 0.044 4. BD ( 1) C 1 - H 8 /118. BD*( 1) C 2 - H 4 2.76 0.89 0.044 5. BD ( 1) C 2 -Cl 3 / 18. RY*( 1) C 1 0.81 1.21 0.028 5. BD ( 1) C 2 -Cl 3 /114. BD*( 1) C 1 - H 6 1.97 1.02 0.040 6. BD ( 1) C 2 - H 4 / 19. RY*( 2) C 1 0.58 1.36 0.025 6. BD ( 1) C 2 - H 4 / 63. RY*( 2)Cl 3 0.68 1.16 0.025 6. BD ( 1) C 2 - H 4 /116. BD*( 1) C 1 - H 8 2.61 0.93 0.044 6. BD ( 1) C 2 - H 4 /117. BD*( 1) C 2 -Cl 3 1.01 0.63 0.023 7. BD ( 1) C 2 - H 5 / 19. RY*( 2) C 1 0.58 1.36 0.025 7. BD ( 1) C 2 - H 5 / 63. RY*( 2)Cl 3 0.68 1.16 0.025 7. BD ( 1) C 2 - H 5 /115. BD*( 1) C 1 - H 7 2.61 0.93 0.044 7. BD ( 1) C 2 - H 5 /117. BD*( 1) C 2 -Cl 3 1.01 0.63 0.023 8. CR ( 1) C 1 / 40. RY*( 1) C 2 0.96 10.73 0.090 8. CR ( 1) C 1 / 46. RY*( 7) C 2 0.80 10.82 0.083 9. CR ( 1) C 2 / 22. RY*( 5) C 1 0.82 10.90 0.085 9. CR ( 1) C 2 /117. BD*( 1) C 2 -Cl 3 2.42 10.21 0.141 11. CR ( 2)Cl 3 / 42. RY*( 3) C 2 1.16 11.39 0.103 15. LP ( 1)Cl 3 / 42. RY*( 3) C 2 1.78 1.89 0.052 16. LP ( 2)Cl 3 / 41. RY*( 2) C 2 1.09 1.07 0.031 16. LP ( 2)Cl 3 /118. BD*( 1) C 2 - H 4 3.04 0.69 0.041 16. LP ( 2)Cl 3 /119. BD*( 1) C 2 - H 5 3.04 0.69 0.041 17. LP ( 3)Cl 3 / 40. RY*( 1) C 2 1.07 1.01 0.029 17. LP ( 3)Cl 3 /113. BD*( 1) C 1 - C 2 3.49 0.68 0.044 17. LP ( 3)Cl 3 /114. BD*( 1) C 1 - H 6 0.97 0.69 0.023 17. LP ( 3)Cl 3 /118. BD*( 1) C 2 - H 4 0.95 0.69 0.023 17. LP ( 3)Cl 3 /119. BD*( 1) C 2 - H 5 0.95 0.69 0.023 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C2H5Cl) 1. BD ( 1) C 1 - C 2 1.99618 -0.65803 62(v) 2. BD ( 1) C 1 - H 6 1.97582 -0.51396 117(v) 3. BD ( 1) C 1 - H 7 1.98862 -0.51368 119(v) 4. BD ( 1) C 1 - H 8 1.98862 -0.51368 118(v) 5. BD ( 1) C 2 -Cl 3 1.99075 -0.63964 114(v),18(v) 6. BD ( 1) C 2 - H 4 1.98745 -0.53627 116(v),117(g),63(v),19(v) 7. BD ( 1) C 2 - H 5 1.98745 -0.53627 115(v),117(g),63(v),19(v) 8. CR ( 1) C 1 1.99934 -10.03661 40(v),46(v) 9. CR ( 1) C 2 1.99916 -10.11268 117(g),22(v) 10. CR ( 1)Cl 3 2.00000 -100.30046 11. CR ( 2)Cl 3 1.99981 -10.41327 42(v) 12. CR ( 3)Cl 3 1.99999 -7.20292 13. CR ( 4)Cl 3 1.99996 -7.20771 14. CR ( 5)Cl 3 1.99999 -7.20132 15. LP ( 1)Cl 3 1.99717 -0.90491 42(v) 16. LP ( 2)Cl 3 1.97870 -0.30999 118(v),119(v),41(v) 17. LP ( 3)Cl 3 1.97578 -0.31412 113(v),40(v),114(r),118(v) 119(v) 18. RY*( 1) C 1 0.00328 0.56799 19. RY*( 2) C 1 0.00152 0.82025 20. RY*( 3) C 1 0.00049 1.55899 21. RY*( 4) C 1 0.00041 0.71439 22. RY*( 5) C 1 0.00020 0.78684 23. RY*( 6) C 1 0.00007 1.71163 24. RY*( 7) C 1 0.00000 23.25165 25. RY*( 8) C 1 0.00000 0.42704 26. RY*( 9) C 1 0.00000 3.07205 27. RY*( 10) C 1 0.00000 0.74336 28. RY*( 11) C 1 0.00000 0.26629 29. RY*( 12) C 1 0.00000 3.14009 30. RY*( 13) C 1 0.00000 1.07135 31. RY*( 14) C 1 0.00000 2.80464 32. RY*( 15) C 1 0.00000 1.65250 33. RY*( 16) C 1 0.00000 2.15371 34. RY*( 17) C 1 0.00000 2.01460 35. RY*( 18) C 1 0.00000 3.10274 36. RY*( 19) C 1 0.00001 1.66308 37. RY*( 20) C 1 0.00000 2.98210 38. RY*( 21) C 1 0.00000 1.62695 39. RY*( 22) C 1 0.00000 2.91169 40. RY*( 1) C 2 0.00397 0.69558 41. RY*( 2) C 2 0.00277 0.76284 42. RY*( 3) C 2 0.00149 0.98065 43. RY*( 4) C 2 0.00108 1.00622 44. RY*( 5) C 2 0.00106 1.18210 45. RY*( 6) C 2 0.00049 1.28911 46. RY*( 7) C 2 0.00013 0.77915 47. RY*( 8) C 2 0.00005 1.13892 48. RY*( 9) C 2 0.00000 2.20671 49. RY*( 10) C 2 0.00000 0.78372 50. RY*( 11) C 2 0.00000 0.87860 51. RY*( 12) C 2 0.00000 2.43373 52. RY*( 13) C 2 0.00000 2.35357 53. RY*( 14) C 2 0.00000 3.07861 54. RY*( 15) C 2 0.00000 1.14482 55. RY*( 16) C 2 0.00000 2.97717 56. RY*( 17) C 2 0.00000 23.20482 57. RY*( 18) C 2 0.00000 3.37506 58. RY*( 19) C 2 0.00000 0.65006 59. RY*( 20) C 2 0.00000 3.35232 60. RY*( 21) C 2 0.00000 1.15621 61. RY*( 22) C 2 0.00000 3.30064 62. RY*( 1)Cl 3 0.00276 0.64441 63. RY*( 2)Cl 3 0.00255 0.62176 64. RY*( 3)Cl 3 0.00088 0.72361 65. RY*( 4)Cl 3 0.00015 0.60581 66. RY*( 5)Cl 3 0.00010 0.57698 67. RY*( 6)Cl 3 0.00004 1.63780 68. RY*( 7)Cl 3 0.00000 5.49866 69. RY*( 8)Cl 3 0.00000 22.50701 70. RY*( 9)Cl 3 0.00000 16.70721 71. RY*( 10)Cl 3 0.00000 0.35931 72. RY*( 11)Cl 3 0.00000 5.17281 73. RY*( 12)Cl 3 0.00000 22.47573 74. RY*( 13)Cl 3 0.00000 0.65143 75. RY*( 14)Cl 3 0.00000 0.46015 76. RY*( 15)Cl 3 0.00000 5.16184 77. RY*( 16)Cl 3 0.00000 22.68625 78. RY*( 17)Cl 3 0.00000 0.74665 79. RY*( 18)Cl 3 0.00000 2.59247 80. RY*( 19)Cl 3 0.00000 207.97284 81. RY*( 20)Cl 3 0.00000 2.35492 82. RY*( 21)Cl 3 0.00000 1.30427 83. RY*( 22)Cl 3 0.00000 2.50788 84. RY*( 23)Cl 3 0.00000 0.57009 85. RY*( 24)Cl 3 0.00000 2.46204 86. RY*( 25)Cl 3 0.00000 1.09407 87. RY*( 26)Cl 3 0.00000 2.47658 88. RY*( 1) H 4 0.00149 0.62628 89. RY*( 2) H 4 0.00019 2.15670 90. RY*( 3) H 4 0.00011 1.96343 91. RY*( 4) H 4 0.00006 2.11133 92. RY*( 5) H 4 0.00004 2.66443 93. RY*( 1) H 5 0.00149 0.62628 94. RY*( 2) H 5 0.00019 2.15670 95. RY*( 3) H 5 0.00011 1.96343 96. RY*( 4) H 5 0.00006 2.11133 97. RY*( 5) H 5 0.00004 2.66443 98. RY*( 1) H 6 0.00081 0.87476 99. RY*( 2) H 6 0.00014 2.00780 100. RY*( 3) H 6 0.00010 1.90851 101. RY*( 4) H 6 0.00005 2.10632 102. RY*( 5) H 6 0.00002 2.51034 103. RY*( 1) H 7 0.00105 0.76404 104. RY*( 2) H 7 0.00015 1.98052 105. RY*( 3) H 7 0.00010 1.92892 106. RY*( 4) H 7 0.00006 2.08647 107. RY*( 5) H 7 0.00004 2.70925 108. RY*( 1) H 8 0.00105 0.76404 109. RY*( 2) H 8 0.00015 1.98052 110. RY*( 3) H 8 0.00010 1.92892 111. RY*( 4) H 8 0.00006 2.08647 112. RY*( 5) H 8 0.00004 2.70925 113. BD*( 1) C 1 - C 2 0.01165 0.37045 114. BD*( 1) C 1 - H 6 0.00851 0.37825 115. BD*( 1) C 1 - H 7 0.00826 0.38880 116. BD*( 1) C 1 - H 8 0.00826 0.38880 117. BD*( 1) C 2 -Cl 3 0.02573 0.09574 118. BD*( 1) C 2 - H 4 0.02079 0.37727 119. BD*( 1) C 2 - H 5 0.02079 0.37727 ------------------------------- Total Lewis 33.86479 ( 99.6023%) Valence non-Lewis 0.10399 ( 0.3059%) Rydberg non-Lewis 0.03121 ( 0.0918%) ------------------------------- 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)\C2H5Cl1\ESSELMAN\07-Jul-2 026\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)\\C2H5Cl ch loroethane\\0,1\C\C,1,1.513333023\Cl,2,1.824161975,1,111.5301877\H,2,1 .087596407,1,112.3040791,3,118.2229947,0\H,2,1.087596407,1,112.3040791 ,3,-118.2229947,0\H,1,1.094443123,2,109.2575072,3,180.,0\H,1,1.0907100 65,2,111.22854,3,-60.50604251,0\H,1,1.090710065,2,111.22854,3,60.50604 251,0\\Version=ES64L-G16RevC.01\State=1-A'\HF=-539.4839649\RMSD=4.371e -09\Dipole=-0.7882577,0.,-0.4021488\Quadrupole=0.4193693,0.0085664,-0. 4279357,0.,-0.2676468,0.\PG=CS [SG(C2H1Cl1),X(H4)]\\@ The archive entry for this job was punched. YOU KNOW YOU'RE A TEACHER WHEN YOU SAY 2, WRITE 3, AND MEAN 4. -- RONALD ANSTROM, HIGH SCHOOL TEACHER, UNDERWOOD, N.D. 1974 Job cpu time: 0 days 0 hours 1 minutes 26.5 seconds. Elapsed time: 0 days 0 hours 0 minutes 5.9 seconds. File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 16 at Tue Jul 7 09:05:05 2026.