Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/385466/Gau-87446.inp" -scrdir="/scratch/webmo-1704971/385466/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 87447. 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-Jun-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; ------------------------------- C2H4O2 syn,syn hydroxyacetal Cs ------------------------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 O 2 B2 1 A1 H 2 B3 3 A2 1 D1 0 H 1 B4 2 A3 3 D2 0 O 1 B5 2 A4 3 D3 0 H 6 B6 1 A5 2 D4 0 H 1 B7 2 A6 3 D5 0 Variables: B1 1.5041 B2 1.2068 B3 1.10702 B4 1.10049 B5 1.40046 B6 0.97061 B7 1.10049 A1 122.07559 A2 121.49044 A3 107.83955 A4 112.61058 A5 106.73137 A6 107.83955 D1 180. D2 -122.74155 D3 0. D4 0. D5 122.74155 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 1.504100 3 8 0 1.022583 0.000000 2.144958 4 1 0 -0.991282 0.000000 1.996909 5 1 0 -0.566583 0.881138 -0.337139 6 8 0 1.292823 0.000000 -0.538430 7 1 0 1.908140 0.000000 0.212218 8 1 0 -0.566583 -0.881138 -0.337139 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.504100 0.000000 3 O 2.376241 1.206804 0.000000 4 H 2.229414 1.107024 2.019300 0.000000 5 H 1.100492 2.118391 3.076143 2.530721 0.000000 6 O 1.400464 2.417296 2.696962 3.412489 2.067442 7 H 1.919905 2.304334 2.125958 3.404669 2.683738 8 H 1.100492 2.118391 3.076143 2.530721 1.762276 6 7 8 6 O 0.000000 7 H 0.970612 0.000000 8 H 2.067442 2.683738 0.000000 Stoichiometry C2H4O2 Framework group CS[SG(C2H2O2),X(H2)] Deg. of freedom 12 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 0.000000 0.928735 -0.000000 2 6 0 -0.926511 -0.256125 0.000000 3 8 0 -0.515730 -1.390865 0.000000 4 1 0 -2.010963 -0.033717 0.000000 5 1 0 -0.238654 1.543327 0.881138 6 8 0 1.350094 0.556519 -0.000000 7 1 0 1.372420 -0.413836 -0.000000 8 1 0 -0.238654 1.543327 -0.881138 --------------------------------------------------------------------- Rotational constants (GHZ): 18.5534928 6.5156199 4.9706153 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 0.8588500000D+04 0.1895150083D-02 0.1297230000D+04 0.1438590063D-01 0.2992960000D+03 0.7073200310D-01 0.8737710000D+02 0.2400010105D+00 0.2567890000D+02 0.5947970261D+00 0.3740040000D+01 0.2808020123D+00 SP 3 1.00 0.000000000000 0.4211750000D+02 0.1138890124D+00 0.3651139738D-01 0.9628370000D+01 0.9208111006D+00 0.2371529830D+00 0.2853320000D+01 -0.3274470358D-02 0.8197019412D+00 SP 1 1.00 0.000000000000 0.9056610000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.2556110000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.8450000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.2584000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.6460000000D+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 6 1.00 0.000000000000 0.8588500000D+04 0.1895150083D-02 0.1297230000D+04 0.1438590063D-01 0.2992960000D+03 0.7073200310D-01 0.8737710000D+02 0.2400010105D+00 0.2567890000D+02 0.5947970261D+00 0.3740040000D+01 0.2808020123D+00 SP 3 1.00 0.000000000000 0.4211750000D+02 0.1138890124D+00 0.3651139738D-01 0.9628370000D+01 0.9208111006D+00 0.2371529830D+00 0.2853320000D+01 -0.3274470358D-02 0.8197019412D+00 SP 1 1.00 0.000000000000 0.9056610000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.2556110000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.8450000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.2584000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.6460000000D+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 100 symmetry adapted cartesian basis functions of A' symmetry. There are 40 symmetry adapted cartesian basis functions of A" symmetry. There are 92 symmetry adapted basis functions of A' symmetry. There are 40 symmetry adapted basis functions of A" symmetry. 132 basis functions, 200 primitive gaussians, 140 cartesian basis functions 16 alpha electrons 16 beta electrons nuclear repulsion energy 119.5030968456 Hartrees. NAtoms= 8 NActive= 8 NUniq= 7 SFac= 1.31D+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= 132 RedAO= T EigKep= 1.24D-04 NBF= 92 40 NBsUse= 132 1.00D-06 EigRej= -1.00D+00 NBFU= 92 40 ExpMin= 4.38D-02 ExpMax= 8.59D+03 ExpMxC= 1.30D+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') Virtual (A") (A') (A') (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A') (A') (A') (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A') (A') (A') (A") (A") (A') (A") (A') (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A") (A') (A') (A") (A') (A") (A') (A") (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A") (A') (A') (A") (A') (A') (A') (A') (A') (A") (A') (A") (A") (A') (A') (A') (A') (A") (A') (A") (A") (A') (A") (A') (A') (A') (A') (A') (A') (A') (A') The electronic state of the initial guess is 1-A'. Keep R1 ints in memory in symmetry-blocked form, NReq=58322041. 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) = -229.126424193 A.U. after 11 cycles NFock= 11 Conv=0.72D-08 -V/T= 2.0035 ********************************************************************** 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') Virtual (A") (A') (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A') (A') (A") (A') (A') (A') (A") (A') (A') (A') (A') (A') (A") (A') (A') (A") (A') (A') (A') (A") (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A") (A") (A') (A') (A') (A") (A') (A') (A") (A') (A') (A') (A") (A") (A') (A') (A') (A") (A') (A") (A') (A") (A') (A") (A') (A') (A') (A") (A') (A") (A') (A') (A') (A') (A") (A') (A') (A") (A') (A') (A") (A') (A") (A") (A') (A') (A") (A') (A') (A') (A') (A') (A") (A') (A") (A") (A') (A') (A') (A') (A") (A') (A") (A") (A') (A") (A') (A') (A') (A') (A') (A') (A') (A') The electronic state is 1-A'. Alpha occ. eigenvalues -- -19.15407 -19.13820 -10.28577 -10.24606 -1.08960 Alpha occ. eigenvalues -- -1.03976 -0.75390 -0.60925 -0.54065 -0.50186 Alpha occ. eigenvalues -- -0.49323 -0.44775 -0.40410 -0.37830 -0.29957 Alpha occ. eigenvalues -- -0.29379 Alpha virt. eigenvalues -- -0.05647 -0.00088 0.01137 0.03169 0.03777 Alpha virt. eigenvalues -- 0.06976 0.07586 0.08630 0.11212 0.13741 Alpha virt. eigenvalues -- 0.14925 0.16517 0.16886 0.20194 0.21872 Alpha virt. eigenvalues -- 0.22190 0.22570 0.24849 0.25513 0.27262 Alpha virt. eigenvalues -- 0.29037 0.30816 0.34263 0.40528 0.43423 Alpha virt. eigenvalues -- 0.46158 0.47601 0.50850 0.51961 0.55237 Alpha virt. eigenvalues -- 0.58267 0.58622 0.62091 0.63851 0.67117 Alpha virt. eigenvalues -- 0.74105 0.76506 0.79527 0.88304 0.97786 Alpha virt. eigenvalues -- 0.97873 1.03672 1.03980 1.04938 1.07248 Alpha virt. eigenvalues -- 1.08528 1.11319 1.11785 1.19922 1.25788 Alpha virt. eigenvalues -- 1.33657 1.33764 1.39733 1.47221 1.50713 Alpha virt. eigenvalues -- 1.51831 1.52649 1.59944 1.63106 1.69088 Alpha virt. eigenvalues -- 1.74228 1.86320 1.88251 1.97479 2.02238 Alpha virt. eigenvalues -- 2.03751 2.12218 2.18155 2.25688 2.27225 Alpha virt. eigenvalues -- 2.28755 2.38563 2.49863 2.52147 2.54263 Alpha virt. eigenvalues -- 2.64889 2.68922 2.73216 2.80256 2.82240 Alpha virt. eigenvalues -- 2.95349 3.04268 3.13559 3.29424 3.30143 Alpha virt. eigenvalues -- 3.32133 3.36198 3.43598 3.43991 3.47382 Alpha virt. eigenvalues -- 3.59018 3.63200 3.84243 3.92428 4.15452 Alpha virt. eigenvalues -- 4.36194 4.96833 5.02361 5.10656 5.50387 Alpha virt. eigenvalues -- 5.75711 5.96268 6.75963 6.80685 6.86287 Alpha virt. eigenvalues -- 6.95269 6.98685 7.05153 7.13725 7.16727 Alpha virt. eigenvalues -- 7.18199 7.32565 23.91227 24.00860 49.90353 Alpha virt. eigenvalues -- 49.93498 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.15407 -19.13820 -10.28577 -10.24606 -1.08960 1 1 C 1S -0.00001 0.00003 0.00192 0.56304 -0.02187 2 2S 0.00004 -0.00012 0.00152 0.46309 -0.03361 3 2PX -0.00005 0.00001 -0.00026 0.00070 0.01040 4 2PY -0.00012 0.00004 -0.00046 -0.00040 -0.01529 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.00008 0.00015 0.00111 0.02022 0.08681 7 3PX 0.00032 0.00104 0.00028 -0.00089 0.01102 8 3PY 0.00057 -0.00044 0.00102 0.00086 -0.02645 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00484 0.00994 -0.00063 -0.00892 0.03718 11 4PX -0.00066 0.00273 0.00014 -0.00174 0.00040 12 4PY 0.00271 -0.00298 0.00216 0.00380 -0.01548 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.00805 -0.00696 0.00552 -0.00726 -0.02577 15 5PX -0.00100 -0.00073 -0.00203 0.00126 0.00589 16 5PY -0.00219 0.00212 -0.00122 0.00044 0.00789 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00003 0.00002 -0.00010 -0.00015 -0.00332 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 -0.00006 0.00011 -0.00002 -0.00003 0.00148 22 6D-2 -0.00004 -0.00001 0.00005 -0.00019 -0.00058 23 7D 0 0.00008 -0.00072 0.00174 0.00223 -0.00209 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 0.00092 0.00039 0.00000 -0.00006 -0.00388 27 7D-2 -0.00002 -0.00035 -0.00120 -0.00002 -0.00011 28 2 C 1S -0.00000 -0.00000 0.56295 -0.00194 -0.06265 29 2S 0.00002 0.00001 0.46315 -0.00166 -0.09512 30 2PX 0.00012 0.00011 0.00012 0.00034 0.03367 31 2PY -0.00023 0.00000 -0.00009 0.00044 -0.07632 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00045 0.00010 0.02100 0.00067 0.24653 34 3PX -0.00028 -0.00068 0.00090 -0.00093 0.04285 35 3PY -0.00016 0.00022 -0.00436 -0.00073 -0.08441 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.01082 -0.00457 0.00302 0.00497 0.03010 38 4PX 0.00459 -0.00323 0.00124 0.00041 -0.00915 39 4PY -0.00313 -0.00010 -0.00372 -0.00144 -0.00113 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.00937 0.00524 -0.00632 0.00415 0.04361 42 5PX -0.00181 0.00132 0.00072 0.00024 0.00901 43 5PY -0.00053 0.00056 -0.00183 0.00097 -0.00107 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00023 0.00003 -0.00108 0.00001 -0.01061 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00019 -0.00002 -0.00061 -0.00006 -0.01099 49 6D-2 0.00013 0.00005 -0.00060 0.00008 -0.00870 50 7D 0 -0.00106 0.00009 -0.00209 -0.00038 -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 0.00101 0.00073 -0.00019 0.00206 -0.01153 54 7D-2 0.00025 -0.00053 -0.00226 -0.00321 -0.00753 55 3 O 1S 0.55130 0.00011 -0.00010 0.00000 -0.09907 56 2S 0.46975 0.00011 -0.00012 0.00003 -0.15847 57 2PX -0.00035 0.00002 -0.00023 0.00004 -0.02172 58 2PY 0.00118 -0.00001 0.00069 0.00009 0.06915 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.01398 -0.00019 0.00152 -0.00017 0.45583 61 3PX -0.00009 -0.00007 0.00061 -0.00017 -0.03234 62 3PY 0.00029 0.00005 -0.00194 -0.00047 0.10252 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.01304 0.00200 -0.01329 -0.00196 0.31801 65 4PX 0.00046 -0.00046 0.00213 -0.00118 -0.00845 66 4PY -0.00347 0.00070 -0.00751 -0.00075 0.04743 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 0.00145 0.00017 0.00109 -0.00113 -0.01798 69 5PX 0.00023 0.00044 -0.00035 0.00082 -0.00142 70 5PY -0.00060 0.00010 0.00237 -0.00045 -0.00018 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 -0.00016 -0.00002 -0.00017 0.00006 -0.00332 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 -0.00022 0.00001 -0.00020 -0.00005 -0.00537 76 6D-2 -0.00013 0.00004 -0.00013 0.00006 -0.00431 77 7D 0 0.00039 0.00002 0.00170 -0.00016 -0.00563 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00041 -0.00006 0.00215 0.00047 -0.00941 81 7D-2 0.00010 -0.00023 0.00150 -0.00041 -0.00588 82 4 H 1S -0.00015 0.00001 0.00027 -0.00023 0.01576 83 2S -0.00134 -0.00129 -0.00468 -0.00315 0.02035 84 3S 0.00167 -0.00041 0.00327 0.00086 -0.00756 85 4PX -0.00041 -0.00028 -0.00200 -0.00081 0.00407 86 4PY 0.00050 0.00004 0.00028 -0.00027 -0.00331 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.00004 0.00009 -0.00015 0.00011 0.00686 89 2S 0.00044 -0.00077 -0.00107 -0.00428 0.00818 90 3S -0.00061 0.00004 -0.00025 0.00253 0.00193 91 4PX 0.00009 -0.00015 -0.00020 -0.00056 0.00026 92 4PY -0.00005 0.00008 0.00016 0.00127 -0.00123 93 4PZ -0.00002 0.00007 0.00017 0.00165 -0.00160 94 6 O 1S -0.00011 0.55133 0.00000 -0.00003 -0.03533 95 2S -0.00008 0.46971 0.00001 -0.00011 -0.05644 96 2PX -0.00001 -0.00113 -0.00002 -0.00018 -0.01660 97 2PY 0.00001 -0.00069 -0.00002 0.00006 -0.00996 98 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 3S -0.00012 0.01400 -0.00004 0.00107 0.16152 100 3PX 0.00006 0.00011 0.00006 -0.00011 -0.02750 101 3PY -0.00004 -0.00024 0.00016 0.00008 -0.01368 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S 0.00049 -0.01242 0.00020 -0.00102 0.11625 104 4PX -0.00020 0.00369 -0.00022 0.00123 -0.01855 105 4PY 0.00023 -0.00077 0.00022 -0.00042 -0.00302 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S 0.00038 0.00472 -0.00055 0.00679 -0.01628 108 5PX -0.00023 -0.00018 0.00056 -0.00234 0.00511 109 5PY 0.00001 -0.00054 0.00043 -0.00100 0.00232 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 -0.00003 -0.00021 0.00005 -0.00013 -0.00129 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 -0.00003 0.00010 0.00001 0.00025 0.00007 115 6D-2 0.00001 -0.00009 -0.00001 -0.00015 -0.00020 116 7D 0 0.00015 0.00041 -0.00018 0.00060 -0.00428 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00014 -0.00086 -0.00003 -0.00099 0.00306 120 7D-2 -0.00000 0.00025 -0.00002 0.00069 -0.00022 121 7 H 1S -0.00003 -0.00008 -0.00025 -0.00033 0.03052 122 2S 0.00034 0.00017 0.00087 0.00101 0.02580 123 3S -0.00022 -0.00161 -0.00030 -0.00283 0.00592 124 4PX -0.00002 -0.00016 -0.00021 -0.00035 -0.00225 125 4PY 0.00010 -0.00081 0.00011 0.00021 0.00816 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00004 0.00009 -0.00015 0.00011 0.00686 128 2S 0.00044 -0.00077 -0.00107 -0.00428 0.00818 129 3S -0.00061 0.00004 -0.00025 0.00253 0.00193 130 4PX 0.00009 -0.00015 -0.00020 -0.00056 0.00026 131 4PY -0.00005 0.00008 0.00016 0.00127 -0.00123 132 4PZ 0.00002 -0.00007 -0.00017 -0.00165 0.00160 6 7 8 9 10 O O O O O Eigenvalues -- -1.03976 -0.75390 -0.60925 -0.54065 -0.50186 1 1 C 1S -0.03937 -0.08620 0.04162 -0.01203 -0.00717 2 2S -0.06040 -0.13411 0.06536 -0.01894 -0.01087 3 2PX 0.04681 -0.05270 -0.06276 -0.07279 -0.08748 4 2PY -0.01290 -0.00481 -0.06554 -0.07293 0.09316 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.15676 0.36121 -0.18370 0.05248 0.02270 7 3PX 0.06632 -0.07262 -0.09473 -0.10632 -0.12424 8 3PY -0.01958 -0.01630 -0.09388 -0.11156 0.13284 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.01768 0.18717 -0.10229 0.06430 0.05035 11 4PX 0.01198 -0.03712 -0.02802 -0.04547 -0.07009 12 4PY 0.01753 0.00036 -0.05036 -0.06828 0.07953 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.08831 0.01127 0.04598 0.03234 0.07306 15 5PX 0.00071 -0.00274 -0.00464 -0.01583 -0.01791 16 5PY -0.02259 0.00425 -0.01780 -0.01045 -0.00871 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 -0.00590 0.00019 -0.00241 -0.00044 0.00860 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 0.00830 -0.00251 -0.00352 -0.01037 -0.00518 22 6D-2 -0.00607 0.00606 0.00535 0.00293 -0.00005 23 7D 0 -0.00575 -0.00497 -0.00341 -0.00197 0.00868 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 0.00663 0.00006 -0.00305 -0.01639 -0.00423 27 7D-2 -0.00900 0.01058 0.00532 -0.00091 -0.00290 28 2 C 1S 0.01724 -0.05376 -0.06734 0.01242 0.02742 29 2S 0.02609 -0.08419 -0.10619 0.01943 0.04369 30 2PX -0.00300 0.00684 -0.06496 0.15166 -0.08416 31 2PY 0.04200 0.08460 0.03841 0.06109 0.06989 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.06874 0.22905 0.30001 -0.05599 -0.13585 34 3PX 0.00364 0.01756 -0.08457 0.20693 -0.12183 35 3PY 0.05127 0.11544 0.04768 0.09206 0.09775 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.03983 0.16170 0.20997 -0.05492 -0.07965 38 4PX 0.03182 0.01500 -0.04781 0.09130 -0.05814 39 4PY 0.01455 0.03324 0.02442 0.02690 0.03802 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.07488 -0.00018 -0.04760 -0.03671 -0.06002 42 5PX -0.01593 -0.00389 -0.02156 0.01073 -0.01110 43 5PY -0.00795 0.00039 -0.00389 -0.00581 -0.01684 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00298 -0.00344 -0.00347 0.00107 0.00361 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 0.00585 0.00194 0.00497 0.00067 0.00279 49 6D-2 0.00510 0.00730 0.00077 0.00237 0.00448 50 7D 0 -0.00041 -0.00360 -0.00046 -0.00536 0.00028 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 -0.00298 -0.00557 0.00101 0.00798 -0.01191 54 7D-2 0.01123 0.00961 -0.00373 -0.00326 0.00256 55 3 O 1S 0.04142 0.02956 0.03725 -0.00517 -0.03787 56 2S 0.06635 0.04783 0.06054 -0.00832 -0.06136 57 2PX 0.01271 0.00234 -0.03275 0.11159 0.02014 58 2PY -0.02545 0.01139 0.04525 0.01055 -0.16473 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.19162 -0.14261 -0.18432 0.02301 0.18327 61 3PX 0.02009 0.00417 -0.04587 0.16166 0.02715 62 3PY -0.03759 0.01540 0.06125 0.01692 -0.23250 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.14695 -0.13569 -0.19269 0.04212 0.24805 65 4PX 0.01050 0.00274 -0.03220 0.12179 0.01594 66 4PY -0.02090 0.00484 0.03850 0.02139 -0.14744 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 0.00658 -0.02207 -0.01614 0.00445 0.06127 69 5PX -0.00342 -0.00148 0.00720 -0.00143 0.00226 70 5PY -0.00169 -0.00962 -0.00238 -0.00457 -0.00545 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00125 -0.00005 -0.00120 0.00060 0.00397 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00204 -0.00017 -0.00031 -0.00219 0.00629 76 6D-2 0.00196 0.00072 -0.00165 0.00488 0.00244 77 7D 0 0.00163 -0.00025 -0.00260 -0.00037 0.00565 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00284 -0.00181 0.00003 -0.00923 0.01081 81 7D-2 0.00500 0.00144 -0.00430 0.01529 0.00092 82 4 H 1S -0.00490 0.04659 0.10881 -0.10378 0.03921 83 2S 0.00265 0.06220 0.14415 -0.15811 0.05873 84 3S 0.00606 -0.00276 0.01514 -0.02806 0.01336 85 4PX 0.00066 0.01092 0.01869 -0.01593 0.00456 86 4PY 0.00095 0.00120 -0.00266 0.00604 0.00080 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S 0.01355 0.06955 -0.05192 -0.00526 0.06407 89 2S 0.02509 0.08835 -0.06881 -0.00763 0.08219 90 3S -0.00377 -0.00539 -0.01111 -0.00649 0.01425 91 4PX 0.00231 0.00053 -0.00468 -0.00325 -0.00208 92 4PY -0.00347 -0.00893 0.00204 -0.00353 -0.00159 93 4PZ -0.00334 -0.01201 0.00826 0.00076 -0.00863 94 6 O 1S -0.10492 0.03495 -0.00959 0.02295 -0.00382 95 2S -0.16788 0.05647 -0.01545 0.03743 -0.00608 96 2PX -0.03993 -0.03934 0.06830 0.00976 0.10288 97 2PY -0.02431 0.04254 -0.10446 -0.12600 -0.07533 98 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 3S 0.48325 -0.17001 0.04746 -0.11424 0.01804 100 3PX -0.06664 -0.05633 0.10097 0.01731 0.15256 101 3PY -0.03542 0.06230 -0.15143 -0.18127 -0.10971 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S 0.36452 -0.13417 0.03076 -0.13760 0.01797 104 4PX -0.04558 -0.03708 0.06889 0.00745 0.10949 105 4PY -0.00804 0.03081 -0.09584 -0.12272 -0.07118 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S -0.03228 -0.00612 0.00483 -0.03595 0.01190 108 5PX 0.00783 0.00022 0.00127 0.00266 0.00111 109 5PY -0.00110 0.00156 0.00351 0.01061 -0.00485 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 -0.00367 0.00039 -0.00022 -0.00110 0.00047 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 -0.00015 0.00348 -0.00525 -0.00351 -0.00591 115 6D-2 -0.00101 -0.00041 0.00217 0.00282 0.00007 116 7D 0 -0.00924 -0.00050 0.00170 -0.00172 0.00320 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00628 0.00789 -0.01003 -0.00430 -0.01524 120 7D-2 -0.00314 -0.00104 0.00898 0.01487 -0.00174 121 7 H 1S 0.08260 -0.05657 0.08256 0.08226 0.06737 122 2S 0.06215 -0.05955 0.09499 0.11026 0.08609 123 3S 0.00352 -0.00139 0.02046 0.05107 0.03653 124 4PX -0.00188 -0.00246 0.00445 -0.00345 0.00813 125 4PY 0.02301 -0.01233 0.01704 0.01218 0.00913 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.01355 0.06955 -0.05192 -0.00526 0.06407 128 2S 0.02509 0.08835 -0.06881 -0.00763 0.08219 129 3S -0.00377 -0.00539 -0.01111 -0.00649 0.01425 130 4PX 0.00231 0.00053 -0.00468 -0.00325 -0.00208 131 4PY -0.00347 -0.00893 0.00204 -0.00353 -0.00159 132 4PZ 0.00334 0.01201 -0.00826 -0.00076 0.00863 11 12 13 14 15 O O O O O Eigenvalues -- -0.49323 -0.44775 -0.40410 -0.37830 -0.29957 1 1 C 1S 0.00000 -0.00442 0.00000 0.01676 0.00000 2 2S 0.00000 -0.00666 0.00000 0.02678 0.00000 3 2PX 0.00000 -0.05965 0.00000 -0.06724 0.00000 4 2PY 0.00000 0.12155 0.00000 -0.03033 0.00000 5 2PZ 0.17843 0.00000 -0.08038 0.00000 -0.07913 6 3S 0.00000 0.01385 0.00000 -0.07654 0.00000 7 3PX 0.00000 -0.08582 0.00000 -0.10741 0.00000 8 3PY 0.00000 0.17207 0.00000 -0.03738 0.00000 9 3PZ 0.25232 0.00000 -0.10826 0.00000 -0.10444 10 4S 0.00000 0.06066 0.00000 -0.05713 0.00000 11 4PX 0.00000 -0.05563 0.00000 -0.06535 0.00000 12 4PY 0.00000 0.10784 0.00000 -0.00818 0.00000 13 4PZ 0.14213 0.00000 -0.05991 0.00000 -0.06790 14 5S 0.00000 -0.00574 0.00000 -0.09834 0.00000 15 5PX 0.00000 0.00699 0.00000 0.03758 0.00000 16 5PY 0.00000 0.00865 0.00000 0.01232 0.00000 17 5PZ 0.01791 0.00000 -0.02156 0.00000 0.01103 18 6D 0 0.00000 0.00995 0.00000 -0.00235 0.00000 19 6D+1 -0.00135 0.00000 -0.00283 0.00000 0.01505 20 6D-1 0.00653 0.00000 -0.00788 0.00000 -0.01090 21 6D+2 0.00000 -0.00936 0.00000 -0.00047 0.00000 22 6D-2 0.00000 -0.00132 0.00000 0.01455 0.00000 23 7D 0 0.00000 0.01384 0.00000 0.00474 0.00000 24 7D+1 -0.00354 0.00000 -0.01635 0.00000 0.04136 25 7D-1 -0.00960 0.00000 -0.00693 0.00000 -0.01511 26 7D+2 0.00000 -0.01669 0.00000 0.01460 0.00000 27 7D-2 0.00000 -0.00189 0.00000 0.03297 0.00000 28 2 C 1S 0.00000 0.00051 0.00000 -0.01752 0.00000 29 2S 0.00000 0.00093 0.00000 -0.02827 0.00000 30 2PX 0.00000 0.04758 0.00000 0.06230 0.00000 31 2PY 0.00000 -0.12761 0.00000 0.07046 0.00000 32 2PZ 0.09128 0.00000 0.13559 0.00000 -0.01393 33 3S 0.00000 0.00673 0.00000 0.08262 0.00000 34 3PX 0.00000 0.06073 0.00000 0.09103 0.00000 35 3PY 0.00000 -0.18043 0.00000 0.10666 0.00000 36 3PZ 0.13756 0.00000 0.20053 0.00000 -0.02171 37 4S 0.00000 -0.02024 0.00000 0.06803 0.00000 38 4PX 0.00000 0.02880 0.00000 0.04510 0.00000 39 4PY 0.00000 -0.10200 0.00000 0.06109 0.00000 40 4PZ 0.08428 0.00000 0.13501 0.00000 -0.02365 41 5S 0.00000 0.01472 0.00000 0.10880 0.00000 42 5PX 0.00000 0.00268 0.00000 0.01674 0.00000 43 5PY 0.00000 0.00847 0.00000 0.04827 0.00000 44 5PZ 0.00348 0.00000 0.02820 0.00000 -0.02008 45 6D 0 0.00000 -0.00264 0.00000 0.00022 0.00000 46 6D+1 0.00563 0.00000 0.00447 0.00000 -0.00019 47 6D-1 -0.00143 0.00000 -0.01773 0.00000 -0.00544 48 6D+2 0.00000 -0.01422 0.00000 0.00180 0.00000 49 6D-2 0.00000 -0.00797 0.00000 -0.00202 0.00000 50 7D 0 0.00000 -0.00301 0.00000 0.00337 0.00000 51 7D+1 0.00850 0.00000 0.00387 0.00000 0.00468 52 7D-1 0.00932 0.00000 -0.03183 0.00000 -0.01452 53 7D+2 0.00000 -0.01830 0.00000 0.01539 0.00000 54 7D-2 0.00000 -0.01363 0.00000 -0.00853 0.00000 55 3 O 1S 0.00000 0.02466 0.00000 -0.00476 0.00000 56 2S 0.00000 0.03979 0.00000 -0.00771 0.00000 57 2PX 0.00000 -0.07019 0.00000 0.10285 0.00000 58 2PY 0.00000 0.16615 0.00000 0.00976 0.00000 59 2PZ 0.07926 0.00000 0.22569 0.00000 0.03763 60 3S 0.00000 -0.11632 0.00000 0.02328 0.00000 61 3PX 0.00000 -0.09905 0.00000 0.14748 0.00000 62 3PY 0.00000 0.23416 0.00000 0.01626 0.00000 63 3PZ 0.11747 0.00000 0.33273 0.00000 0.05504 64 4S 0.00000 -0.21559 0.00000 0.05310 0.00000 65 4PX 0.00000 -0.06500 0.00000 0.11741 0.00000 66 4PY 0.00000 0.14491 0.00000 0.02473 0.00000 67 4PZ 0.09602 0.00000 0.27722 0.00000 0.04818 68 5S 0.00000 -0.07207 0.00000 0.00520 0.00000 69 5PX 0.00000 -0.00762 0.00000 0.00563 0.00000 70 5PY 0.00000 0.00912 0.00000 -0.01295 0.00000 71 5PZ -0.00224 0.00000 0.02148 0.00000 0.03090 72 6D 0 0.00000 -0.00421 0.00000 0.00073 0.00000 73 6D+1 -0.00088 0.00000 -0.00250 0.00000 -0.00023 74 6D-1 0.00308 0.00000 0.00668 0.00000 0.00038 75 6D+2 0.00000 -0.00535 0.00000 -0.00161 0.00000 76 6D-2 0.00000 -0.00474 0.00000 0.00315 0.00000 77 7D 0 0.00000 -0.00517 0.00000 0.00118 0.00000 78 7D+1 -0.00427 0.00000 -0.00869 0.00000 0.00141 79 7D-1 0.01483 0.00000 0.02936 0.00000 0.00285 80 7D+2 0.00000 -0.00713 0.00000 -0.00867 0.00000 81 7D-2 0.00000 -0.00621 0.00000 0.00700 0.00000 82 4 H 1S 0.00000 -0.06201 0.00000 -0.01519 0.00000 83 2S 0.00000 -0.09211 0.00000 -0.02984 0.00000 84 3S 0.00000 -0.03571 0.00000 -0.01753 0.00000 85 4PX 0.00000 -0.00984 0.00000 -0.00038 0.00000 86 4PY 0.00000 -0.00363 0.00000 0.00552 0.00000 87 4PZ 0.00531 0.00000 0.00913 0.00000 -0.00095 88 5 H 1S 0.11000 0.07492 -0.05770 -0.02696 -0.08386 89 2S 0.16196 0.09789 -0.09506 -0.04844 -0.13421 90 3S 0.03441 0.03635 -0.04025 -0.02695 -0.12647 91 4PX 0.00427 -0.00027 -0.00140 -0.00390 -0.00256 92 4PY -0.01223 0.00032 0.00676 0.00246 0.00759 93 4PZ -0.00739 -0.00989 0.00428 0.00340 0.00499 94 6 O 1S 0.00000 -0.00496 0.00000 -0.03481 0.00000 95 2S 0.00000 -0.00791 0.00000 -0.05670 0.00000 96 2PX 0.00000 0.11621 0.00000 0.17266 0.00000 97 2PY 0.00000 -0.04152 0.00000 0.16918 0.00000 98 2PZ 0.09589 0.00000 -0.07457 0.00000 0.27320 99 3S 0.00000 0.02282 0.00000 0.17087 0.00000 100 3PX 0.00000 0.17137 0.00000 0.25049 0.00000 101 3PY 0.00000 -0.06000 0.00000 0.24046 0.00000 102 3PZ 0.14061 0.00000 -0.10901 0.00000 0.39688 103 4S 0.00000 0.03822 0.00000 0.25655 0.00000 104 4PX 0.00000 0.12997 0.00000 0.20826 0.00000 105 4PY 0.00000 -0.03835 0.00000 0.18496 0.00000 106 4PZ 0.11711 0.00000 -0.09397 0.00000 0.37228 107 5S 0.00000 0.02404 0.00000 0.06198 0.00000 108 5PX 0.00000 0.00751 0.00000 0.02192 0.00000 109 5PY 0.00000 -0.01904 0.00000 0.03362 0.00000 110 5PZ 0.00045 0.00000 -0.00517 0.00000 0.10887 111 6D 0 0.00000 0.00102 0.00000 0.00423 0.00000 112 6D+1 -0.00303 0.00000 0.00180 0.00000 -0.00227 113 6D-1 -0.00035 0.00000 0.00016 0.00000 -0.00268 114 6D+2 0.00000 -0.00494 0.00000 0.00064 0.00000 115 6D-2 0.00000 -0.00059 0.00000 -0.00200 0.00000 116 7D 0 0.00000 0.00357 0.00000 0.00672 0.00000 117 7D+1 -0.01631 0.00000 0.00781 0.00000 -0.01374 118 7D-1 -0.00065 0.00000 0.00088 0.00000 -0.01488 119 7D+2 0.00000 -0.01527 0.00000 -0.00592 0.00000 120 7D-2 0.00000 -0.00644 0.00000 -0.01519 0.00000 121 7 H 1S 0.00000 0.04082 0.00000 -0.09223 0.00000 122 2S 0.00000 0.05263 0.00000 -0.14112 0.00000 123 3S 0.00000 0.00660 0.00000 -0.02864 0.00000 124 4PX 0.00000 0.01009 0.00000 0.01152 0.00000 125 4PY 0.00000 0.00681 0.00000 -0.01846 0.00000 126 4PZ 0.00910 0.00000 -0.00423 0.00000 0.02714 127 8 H 1S -0.11000 0.07492 0.05770 -0.02696 0.08386 128 2S -0.16196 0.09789 0.09506 -0.04844 0.13421 129 3S -0.03441 0.03635 0.04025 -0.02695 0.12647 130 4PX -0.00427 -0.00027 0.00140 -0.00390 0.00256 131 4PY 0.01223 0.00032 -0.00676 0.00246 -0.00759 132 4PZ -0.00739 0.00989 0.00428 -0.00340 0.00499 16 17 18 19 20 O V V V V Eigenvalues -- -0.29379 -0.05647 -0.00088 0.01137 0.03169 1 1 C 1S 0.01671 0.00000 0.02203 0.00841 -0.02537 2 2S 0.02701 0.00000 0.03700 0.01339 -0.04223 3 2PX 0.06617 0.00000 0.02320 -0.04833 -0.01711 4 2PY 0.09567 0.00000 -0.06473 -0.00522 0.02781 5 2PZ 0.00000 -0.02362 0.00000 0.00000 0.00000 6 3S -0.07766 0.00000 -0.14140 -0.02544 0.14686 7 3PX 0.09427 0.00000 0.03739 -0.06578 -0.02168 8 3PY 0.14106 0.00000 -0.12107 -0.01564 0.05272 9 3PZ 0.00000 -0.02263 0.00000 0.00000 0.00000 10 4S -0.07705 0.00000 0.04095 -0.33918 0.24782 11 4PX 0.05325 0.00000 0.16309 -0.32635 -0.12329 12 4PY 0.11550 0.00000 -0.29075 0.05627 0.13740 13 4PZ 0.00000 -0.02057 0.00000 0.00000 0.00000 14 5S -0.00882 0.00000 3.08943 -0.15234 4.03960 15 5PX 0.00838 0.00000 -0.16155 -0.86516 -0.65469 16 5PY 0.01513 0.00000 -0.15635 0.23576 -1.97289 17 5PZ 0.00000 -0.17264 0.00000 0.00000 0.00000 18 6D 0 0.00224 0.00000 0.00339 -0.00479 0.00166 19 6D+1 0.00000 -0.00442 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.01579 0.00000 0.00000 0.00000 21 6D+2 0.00118 0.00000 -0.00331 0.00642 -0.00303 22 6D-2 -0.00672 0.00000 -0.00060 -0.00729 -0.00097 23 7D 0 0.00072 0.00000 -0.02117 -0.02228 0.03107 24 7D+1 0.00000 -0.02071 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.03358 0.00000 0.00000 0.00000 26 7D+2 0.00618 0.00000 0.00007 0.00839 0.01117 27 7D-2 -0.00624 0.00000 -0.00445 -0.01425 -0.00286 28 2 C 1S 0.00309 0.00000 0.01606 0.01436 0.02048 29 2S 0.00531 0.00000 0.02686 0.02382 0.03409 30 2PX -0.06895 0.00000 0.06049 0.02787 0.04332 31 2PY -0.03346 0.00000 -0.01375 0.00059 -0.02836 32 2PZ 0.00000 0.22731 0.00000 0.00000 0.00000 33 3S -0.02022 0.00000 -0.09528 -0.06079 -0.12615 34 3PX -0.10191 0.00000 0.10580 0.04035 0.07946 35 3PY -0.04858 0.00000 -0.02511 0.01672 -0.03755 36 3PZ 0.00000 0.34259 0.00000 0.00000 0.00000 37 4S -0.02511 0.00000 -0.16099 -0.52942 0.03194 38 4PX -0.06714 0.00000 0.02684 0.02923 0.18475 39 4PY -0.04459 0.00000 -0.21876 0.16440 -0.20762 40 4PZ 0.00000 0.55146 0.00000 0.00000 0.00000 41 5S 0.02338 0.00000 -0.66019 -1.13450 -3.99636 42 5PX -0.00449 0.00000 -0.81145 -0.54010 -1.82580 43 5PY 0.02175 0.00000 -0.40024 0.35982 -1.34582 44 5PZ 0.00000 0.37003 0.00000 0.00000 0.00000 45 6D 0 0.00027 0.00000 0.00307 -0.00505 -0.00182 46 6D+1 0.00000 -0.00499 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.01263 0.00000 0.00000 0.00000 48 6D+2 0.01787 0.00000 0.00354 -0.00624 0.00010 49 6D-2 -0.02297 0.00000 0.00330 -0.00658 0.00167 50 7D 0 0.00057 0.00000 0.02382 -0.00597 -0.01241 51 7D+1 0.00000 -0.02529 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.04178 0.00000 0.00000 0.00000 53 7D+2 0.04083 0.00000 -0.00673 -0.00421 0.01159 54 7D-2 -0.04713 0.00000 -0.01514 -0.00182 0.00477 55 3 O 1S 0.00278 0.00000 0.00879 -0.01962 0.00593 56 2S 0.00463 0.00000 0.01476 -0.03276 0.00975 57 2PX 0.23745 0.00000 -0.02438 0.01059 0.00717 58 2PY 0.09591 0.00000 -0.00530 0.01674 0.02145 59 2PZ 0.00000 -0.19075 0.00000 0.00000 0.00000 60 3S -0.01684 0.00000 -0.05313 0.11169 -0.03064 61 3PX 0.34387 0.00000 -0.02954 0.01797 0.01838 62 3PY 0.13785 0.00000 -0.01051 0.02578 0.03353 63 3PZ 0.00000 -0.27936 0.00000 0.00000 0.00000 64 4S -0.01094 0.00000 -0.09028 0.21655 -0.11357 65 4PX 0.32122 0.00000 -0.05774 -0.02636 -0.02210 66 4PY 0.13519 0.00000 -0.03261 0.09657 -0.02182 67 4PZ 0.00000 -0.31331 0.00000 0.00000 0.00000 68 5S -0.00037 0.00000 -0.50805 0.93149 -0.50871 69 5PX 0.08928 0.00000 0.18833 0.06071 0.27245 70 5PY 0.02082 0.00000 -0.16055 0.13379 -0.07164 71 5PZ 0.00000 -0.29628 0.00000 0.00000 0.00000 72 6D 0 -0.00007 0.00000 0.00017 0.00035 -0.00060 73 6D+1 0.00000 -0.00132 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00293 0.00000 0.00000 0.00000 75 6D+2 -0.00210 0.00000 -0.00076 -0.00079 -0.00088 76 6D-2 0.00243 0.00000 0.00095 0.00068 0.00070 77 7D 0 -0.00328 0.00000 0.00213 -0.00534 0.00161 78 7D+1 0.00000 -0.00391 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00720 0.00000 0.00000 0.00000 80 7D+2 -0.00692 0.00000 0.00203 -0.01018 0.00268 81 7D-2 0.01311 0.00000 0.00485 -0.00106 0.00357 82 4 H 1S 0.10201 0.00000 -0.01790 -0.00109 -0.00083 83 2S 0.16324 0.00000 0.05070 0.06137 0.05686 84 3S 0.14876 0.00000 -0.26645 -0.03118 0.05783 85 4PX 0.00623 0.00000 -0.01255 -0.00558 -0.01893 86 4PY -0.00272 0.00000 0.00150 0.01155 -0.00459 87 4PZ 0.00000 0.02512 0.00000 0.00000 0.00000 88 5 H 1S 0.02196 -0.05771 -0.00417 -0.00295 0.00970 89 2S 0.03350 -0.12034 0.08371 0.01632 -0.04563 90 3S 0.01332 -0.15022 -0.20608 -0.14421 0.05933 91 4PX 0.00409 -0.00467 -0.00313 -0.01081 -0.00025 92 4PY 0.00523 -0.00126 0.00165 0.00137 -0.00788 93 4PZ -0.00255 0.00414 0.01175 -0.00374 -0.00731 94 6 O 1S 0.00833 0.00000 0.00688 -0.02968 -0.00032 95 2S 0.01360 0.00000 0.01144 -0.04928 -0.00054 96 2PX -0.04093 0.00000 0.00254 -0.02486 0.03081 97 2PY -0.00429 0.00000 0.01452 -0.03302 0.00927 98 2PZ 0.00000 0.01432 0.00000 0.00000 0.00000 99 3S -0.04229 0.00000 -0.03537 0.16383 0.00016 100 3PX -0.05835 0.00000 0.00408 -0.03616 0.04485 101 3PY -0.00552 0.00000 0.01882 -0.04904 0.01698 102 3PZ 0.00000 0.02090 0.00000 0.00000 0.00000 103 4S -0.06652 0.00000 -0.13297 0.31046 0.04080 104 4PX -0.05804 0.00000 0.06864 -0.10053 0.03875 105 4PY -0.00390 0.00000 0.05961 -0.07501 -0.03844 106 4PZ 0.00000 0.02534 0.00000 0.00000 0.00000 107 5S -0.03131 0.00000 -0.52191 1.41539 -0.00208 108 5PX -0.02158 0.00000 0.14268 -0.27761 -0.05487 109 5PY -0.00424 0.00000 -0.20265 -0.08053 0.28955 110 5PZ 0.00000 0.02048 0.00000 0.00000 0.00000 111 6D 0 -0.00084 0.00000 0.00007 0.00078 0.00038 112 6D+1 0.00000 0.00010 0.00000 0.00000 0.00000 113 6D-1 0.00000 -0.00068 0.00000 0.00000 0.00000 114 6D+2 -0.00096 0.00000 0.00106 0.00034 0.00056 115 6D-2 -0.00083 0.00000 0.00100 0.00155 -0.00101 116 7D 0 -0.00203 0.00000 0.01037 -0.00508 -0.00494 117 7D+1 0.00000 -0.00033 0.00000 0.00000 0.00000 118 7D-1 0.00000 -0.00346 0.00000 0.00000 0.00000 119 7D+2 -0.00245 0.00000 0.00083 0.00471 -0.00235 120 7D-2 0.00010 0.00000 0.00528 0.00520 -0.00326 121 7 H 1S 0.02194 0.00000 -0.00933 -0.02797 -0.00255 122 2S 0.05104 0.00000 0.03449 -0.11811 -0.05107 123 3S 0.04934 0.00000 -0.18393 -0.47557 0.25598 124 4PX -0.00734 0.00000 -0.00221 -0.00400 0.00386 125 4PY -0.00514 0.00000 0.00213 0.01769 -0.00841 126 4PZ 0.00000 0.00128 0.00000 0.00000 0.00000 127 8 H 1S 0.02196 0.05771 -0.00417 -0.00295 0.00970 128 2S 0.03350 0.12034 0.08371 0.01632 -0.04563 129 3S 0.01332 0.15022 -0.20608 -0.14421 0.05933 130 4PX 0.00409 0.00467 -0.00313 -0.01081 -0.00025 131 4PY 0.00523 0.00126 0.00165 0.00137 -0.00788 132 4PZ 0.00255 0.00414 -0.01175 0.00374 0.00731 21 22 23 24 25 V V V V V Eigenvalues -- 0.03777 0.06976 0.07586 0.08630 0.11212 1 1 C 1S 0.00000 0.02207 -0.00073 0.00000 0.02082 2 2S 0.00000 0.03596 -0.00081 0.00000 0.03358 3 2PX 0.00000 -0.01265 0.01270 0.00000 -0.00080 4 2PY 0.00000 0.01467 -0.01330 0.00000 -0.01676 5 2PZ -0.09511 0.00000 0.00000 0.04528 0.00000 6 3S 0.00000 -0.09796 -0.01853 0.00000 -0.08811 7 3PX 0.00000 -0.01837 0.01668 0.00000 0.04258 8 3PY 0.00000 0.02518 -0.02390 0.00000 -0.01238 9 3PZ -0.17102 0.00000 0.00000 0.08285 0.00000 10 4S 0.00000 -0.43287 0.27240 0.00000 -0.78740 11 4PX 0.00000 -0.17991 0.28011 0.00000 0.26461 12 4PY 0.00000 -0.02845 -0.24668 0.00000 -0.62260 13 4PZ -0.33877 0.00000 0.00000 0.09052 0.00000 14 5S 0.00000 3.50499 0.41155 0.00000 -1.77091 15 5PX 0.00000 -2.77740 1.10609 0.00000 1.23702 16 5PY 0.00000 -1.19027 -1.94791 0.00000 -0.20187 17 5PZ 1.07129 0.00000 0.00000 -2.35684 0.00000 18 6D 0 0.00000 -0.00015 0.00755 0.00000 0.01429 19 6D+1 0.00004 0.00000 0.00000 0.00177 0.00000 20 6D-1 0.00307 0.00000 0.00000 0.00425 0.00000 21 6D+2 0.00000 0.00717 0.00254 0.00000 -0.00116 22 6D-2 0.00000 -0.00505 -0.00244 0.00000 -0.00396 23 7D 0 0.00000 0.00678 0.00352 0.00000 -0.04619 24 7D+1 0.01310 0.00000 0.00000 -0.00157 0.00000 25 7D-1 -0.02309 0.00000 0.00000 -0.00039 0.00000 26 7D+2 0.00000 0.02778 0.02617 0.00000 -0.00995 27 7D-2 0.00000 0.00139 -0.02068 0.00000 -0.01717 28 2 C 1S 0.00000 -0.00701 0.01673 0.00000 -0.00304 29 2S 0.00000 -0.01152 0.02771 0.00000 -0.00521 30 2PX 0.00000 -0.03767 -0.00941 0.00000 -0.03603 31 2PY 0.00000 -0.00969 -0.01762 0.00000 0.00210 32 2PZ -0.04981 0.00000 0.00000 -0.09211 0.00000 33 3S 0.00000 0.02327 -0.06864 0.00000 0.03644 34 3PX 0.00000 -0.05556 -0.01045 0.00000 -0.03528 35 3PY 0.00000 -0.02732 -0.00238 0.00000 -0.03542 36 3PZ -0.06835 0.00000 0.00000 -0.13209 0.00000 37 4S 0.00000 0.43547 -0.70263 0.00000 -0.55552 38 4PX 0.00000 -0.02863 -0.15553 0.00000 -0.46416 39 4PY 0.00000 -0.31251 0.10374 0.00000 0.28367 40 4PZ -0.13244 0.00000 0.00000 -0.29999 0.00000 41 5S 0.00000 -2.58133 -0.23552 0.00000 1.77110 42 5PX 0.00000 1.26498 -0.41780 0.00000 -0.22836 43 5PY 0.00000 -1.48453 2.57747 0.00000 0.39264 44 5PZ 0.37764 0.00000 0.00000 2.39274 0.00000 45 6D 0 0.00000 0.00686 0.00046 0.00000 0.00759 46 6D+1 -0.00370 0.00000 0.00000 -0.00091 0.00000 47 6D-1 -0.00239 0.00000 0.00000 0.00166 0.00000 48 6D+2 0.00000 -0.00429 -0.00178 0.00000 0.00759 49 6D-2 0.00000 -0.00243 -0.00090 0.00000 -0.00277 50 7D 0 0.00000 0.00943 0.02905 0.00000 0.06016 51 7D+1 -0.02472 0.00000 0.00000 -0.01762 0.00000 52 7D-1 0.01037 0.00000 0.00000 0.00151 0.00000 53 7D+2 0.00000 -0.02993 -0.02231 0.00000 -0.02975 54 7D-2 0.00000 -0.03329 0.01088 0.00000 0.05178 55 3 O 1S 0.00000 0.01005 -0.01269 0.00000 -0.00166 56 2S 0.00000 0.01705 -0.02116 0.00000 -0.00235 57 2PX 0.00000 0.00161 -0.02711 0.00000 0.07230 58 2PY 0.00000 0.01613 -0.01218 0.00000 -0.01959 59 2PZ -0.00800 0.00000 0.00000 0.00287 0.00000 60 3S 0.00000 -0.06292 0.06974 0.00000 0.00061 61 3PX 0.00000 -0.00390 -0.04514 0.00000 0.09467 62 3PY 0.00000 0.02425 -0.02466 0.00000 -0.02354 63 3PZ -0.01995 0.00000 0.00000 -0.00900 0.00000 64 4S 0.00000 -0.15026 0.20214 0.00000 0.19004 65 4PX 0.00000 0.06998 -0.03686 0.00000 0.21553 66 4PY 0.00000 -0.08051 0.11456 0.00000 0.02421 67 4PZ 0.03823 0.00000 0.00000 0.07967 0.00000 68 5S 0.00000 -1.60125 0.98234 0.00000 0.64442 69 5PX 0.00000 -0.11086 -0.26290 0.00000 -0.35560 70 5PY 0.00000 -0.25890 -0.21056 0.00000 0.57613 71 5PZ -0.15520 0.00000 0.00000 -0.26284 0.00000 72 6D 0 0.00000 -0.00004 0.00100 0.00000 0.00167 73 6D+1 0.00042 0.00000 0.00000 0.00057 0.00000 74 6D-1 -0.00184 0.00000 0.00000 -0.00304 0.00000 75 6D+2 0.00000 -0.00048 0.00153 0.00000 0.00084 76 6D-2 0.00000 -0.00169 -0.00034 0.00000 -0.00009 77 7D 0 0.00000 0.00983 -0.00331 0.00000 0.00869 78 7D+1 0.00060 0.00000 0.00000 -0.00017 0.00000 79 7D-1 -0.00123 0.00000 0.00000 -0.00992 0.00000 80 7D+2 0.00000 0.00539 -0.00506 0.00000 -0.00792 81 7D-2 0.00000 -0.00045 -0.00598 0.00000 0.01760 82 4 H 1S 0.00000 -0.03158 0.00080 0.00000 -0.00629 83 2S 0.00000 -0.10795 0.07695 0.00000 0.06912 84 3S 0.00000 -0.17552 -0.28706 0.00000 -0.94086 85 4PX 0.00000 0.01101 0.00370 0.00000 0.01823 86 4PY 0.00000 0.00510 0.00850 0.00000 -0.01368 87 4PZ 0.00352 0.00000 0.00000 0.00268 0.00000 88 5 H 1S -0.00576 0.00438 0.00969 0.01694 0.03584 89 2S 0.11826 0.05615 0.02528 -0.02703 0.16693 90 3S -0.07246 -0.18009 0.08423 0.32147 0.81552 91 4PX -0.00123 -0.01128 -0.00314 -0.00194 0.00674 92 4PY 0.00225 -0.00178 -0.01051 -0.00583 -0.01233 93 4PZ 0.00468 0.00217 0.00758 -0.00614 0.00479 94 6 O 1S 0.00000 -0.01684 0.00876 0.00000 -0.01607 95 2S 0.00000 -0.02801 0.01481 0.00000 -0.02667 96 2PX 0.00000 -0.02131 -0.00683 0.00000 0.02809 97 2PY 0.00000 0.03299 0.01325 0.00000 -0.09108 98 2PZ -0.00427 0.00000 0.00000 0.00914 0.00000 99 3S 0.00000 0.09038 -0.05440 0.00000 0.09419 100 3PX 0.00000 -0.02836 -0.01091 0.00000 0.02340 101 3PY 0.00000 0.05084 0.01926 0.00000 -0.12267 102 3PZ -0.01905 0.00000 0.00000 0.02272 0.00000 103 4S 0.00000 0.21635 -0.09692 0.00000 0.08164 104 4PX 0.00000 -0.09138 0.07733 0.00000 0.23008 105 4PY 0.00000 0.00039 -0.00067 0.00000 -0.20755 106 4PZ 0.04890 0.00000 0.00000 -0.02998 0.00000 107 5S 0.00000 -0.00323 -1.76425 0.00000 0.56779 108 5PX 0.00000 0.06514 0.33029 0.00000 -0.50898 109 5PY 0.00000 0.64278 0.19145 0.00000 -0.18276 110 5PZ -0.22056 0.00000 0.00000 0.28784 0.00000 111 6D 0 0.00000 0.00121 0.00020 0.00000 0.00121 112 6D+1 0.00161 0.00000 0.00000 -0.00083 0.00000 113 6D-1 -0.00058 0.00000 0.00000 -0.00017 0.00000 114 6D+2 0.00000 0.00002 0.00202 0.00000 0.00112 115 6D-2 0.00000 0.00020 -0.00048 0.00000 0.00282 116 7D 0 0.00000 0.00074 0.00832 0.00000 0.02140 117 7D+1 0.00809 0.00000 0.00000 -0.00524 0.00000 118 7D-1 0.00056 0.00000 0.00000 -0.00187 0.00000 119 7D+2 0.00000 -0.00410 -0.00325 0.00000 -0.00277 120 7D-2 0.00000 -0.00190 0.00090 0.00000 0.00795 121 7 H 1S 0.00000 -0.01350 -0.00617 0.00000 -0.06031 122 2S 0.00000 -0.07486 -0.01500 0.00000 -0.03002 123 3S 0.00000 0.49366 0.39490 0.00000 -1.67065 124 4PX 0.00000 -0.00230 0.00318 0.00000 -0.01084 125 4PY 0.00000 -0.01189 -0.00885 0.00000 0.03010 126 4PZ 0.00295 0.00000 0.00000 0.00254 0.00000 127 8 H 1S 0.00576 0.00438 0.00969 -0.01694 0.03584 128 2S -0.11826 0.05615 0.02528 0.02703 0.16693 129 3S 0.07246 -0.18009 0.08423 -0.32147 0.81552 130 4PX 0.00123 -0.01128 -0.00314 0.00194 0.00674 131 4PY -0.00225 -0.00178 -0.01051 0.00583 -0.01233 132 4PZ 0.00468 -0.00217 -0.00758 -0.00614 -0.00479 26 27 28 29 30 V V V V V Eigenvalues -- 0.13741 0.14925 0.16517 0.16886 0.20194 1 1 C 1S 0.00533 0.00000 0.01038 -0.00419 -0.04748 2 2S 0.00931 0.00000 0.01868 -0.00645 -0.07604 3 2PX 0.01414 0.00000 -0.08656 -0.08404 0.07862 4 2PY -0.05570 0.00000 0.08793 -0.03040 0.01670 5 2PZ 0.00000 -0.12988 0.00000 0.00000 0.00000 6 3S -0.04636 0.00000 -0.10585 0.00691 0.18653 7 3PX 0.01455 0.00000 -0.15586 -0.14322 0.10353 8 3PY -0.08309 0.00000 0.13826 -0.04275 0.00602 9 3PZ 0.00000 -0.13955 0.00000 0.00000 0.00000 10 4S 0.23563 0.00000 0.67059 0.28857 1.68427 11 4PX 0.29438 0.00000 -0.44897 -0.81353 0.79212 12 4PY -0.27784 0.00000 0.43458 -0.01417 0.35667 13 4PZ 0.00000 -0.95014 0.00000 0.00000 0.00000 14 5S 37.84701 0.00000 9.44294 -3.27979 -1.25874 15 5PX -6.44751 0.00000 -0.07360 0.85818 -1.05429 16 5PY -8.85476 0.00000 -2.08610 0.99569 1.49226 17 5PZ 0.00000 -1.31364 0.00000 0.00000 0.00000 18 6D 0 0.00198 0.00000 -0.01325 -0.00278 0.00500 19 6D+1 0.00000 -0.00371 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.01122 0.00000 0.00000 0.00000 21 6D+2 -0.00161 0.00000 0.02051 0.00417 -0.00944 22 6D-2 -0.00082 0.00000 -0.00414 -0.01499 0.00189 23 7D 0 0.00581 0.00000 -0.01717 0.02969 0.02188 24 7D+1 0.00000 -0.00170 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.05787 0.00000 0.00000 0.00000 26 7D+2 0.02183 0.00000 0.03351 0.01241 -0.01547 27 7D-2 -0.01624 0.00000 -0.02367 -0.00952 -0.05949 28 2 C 1S -0.00081 0.00000 -0.02079 0.03501 0.00725 29 2S -0.00223 0.00000 -0.03254 0.05906 0.01044 30 2PX -0.01393 0.00000 -0.08583 0.05464 -0.02406 31 2PY -0.00255 0.00000 0.04138 -0.04735 -0.02184 32 2PZ 0.00000 0.03160 0.00000 0.00000 0.00000 33 3S 0.02745 0.00000 0.07223 -0.19570 -0.00291 34 3PX -0.02619 0.00000 -0.13316 0.00317 -0.00417 35 3PY -0.00144 0.00000 0.07850 -0.03828 -0.06373 36 3PZ 0.00000 0.01298 0.00000 0.00000 0.00000 37 4S -0.33885 0.00000 0.67166 -0.58798 -0.17293 38 4PX -0.11696 0.00000 -0.68956 0.70093 0.06544 39 4PY 0.17741 0.00000 0.34246 -0.59399 0.16870 40 4PZ 0.00000 0.33927 0.00000 0.00000 0.00000 41 5S -37.84449 0.00000 -6.55684 4.14745 2.47890 42 5PX -6.74528 0.00000 -2.95233 2.34267 1.56037 43 5PY -8.47177 0.00000 -1.34912 0.21164 -0.16124 44 5PZ 0.00000 0.71059 0.00000 0.00000 0.00000 45 6D 0 -0.00754 0.00000 0.00254 -0.01211 0.00305 46 6D+1 0.00000 -0.00884 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00693 0.00000 0.00000 0.00000 48 6D+2 0.00343 0.00000 -0.02151 -0.00561 0.00980 49 6D-2 -0.00017 0.00000 -0.00673 -0.00540 0.00249 50 7D 0 -0.03231 0.00000 -0.00570 -0.06265 0.00641 51 7D+1 0.00000 -0.03352 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.01072 0.00000 0.00000 0.00000 53 7D+2 0.04154 0.00000 -0.00108 0.02791 -0.02062 54 7D-2 -0.00073 0.00000 -0.04980 -0.05288 0.05408 55 3 O 1S -0.00648 0.00000 -0.01123 -0.01190 -0.00166 56 2S -0.01128 0.00000 -0.01798 -0.01945 -0.00277 57 2PX 0.01671 0.00000 0.02762 0.00152 0.06612 58 2PY 0.00304 0.00000 0.03781 0.06455 -0.01790 59 2PZ 0.00000 0.04181 0.00000 0.00000 0.00000 60 3S 0.04872 0.00000 0.04319 0.05272 0.01291 61 3PX 0.02764 0.00000 0.04006 -0.00779 0.08616 62 3PY 0.00815 0.00000 0.05397 0.09609 -0.02049 63 3PZ 0.00000 0.04826 0.00000 0.00000 0.00000 64 4S 0.03375 0.00000 0.30724 0.18020 -0.01012 65 4PX -0.01713 0.00000 0.02674 0.00495 0.22410 66 4PY 0.02280 0.00000 0.14250 0.08948 -0.08112 67 4PZ 0.00000 0.14390 0.00000 0.00000 0.00000 68 5S 1.97190 0.00000 0.33369 -2.28806 0.18779 69 5PX 0.08892 0.00000 0.37763 -0.02144 -0.54342 70 5PY 0.58961 0.00000 0.17587 -1.02270 0.74343 71 5PZ 0.00000 -0.58818 0.00000 0.00000 0.00000 72 6D 0 -0.00106 0.00000 0.00112 -0.00117 0.00152 73 6D+1 0.00000 -0.00137 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00138 0.00000 0.00000 0.00000 75 6D+2 0.00009 0.00000 0.00101 -0.00368 0.00016 76 6D-2 0.00067 0.00000 -0.00201 0.00002 -0.00000 77 7D 0 -0.00908 0.00000 -0.00125 -0.00525 0.01114 78 7D+1 0.00000 -0.01386 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00637 0.00000 0.00000 0.00000 80 7D+2 0.00142 0.00000 -0.00121 -0.00818 0.00008 81 7D-2 -0.00013 0.00000 -0.00920 -0.01042 0.01462 82 4 H 1S 0.03839 0.00000 -0.07741 0.05688 0.01624 83 2S -0.06405 0.00000 -0.21142 0.05847 0.14219 84 3S 1.08398 0.00000 -2.11660 2.45756 -0.39807 85 4PX -0.00344 0.00000 0.00809 -0.02906 0.01229 86 4PY -0.00577 0.00000 0.00769 0.01575 -0.01526 87 4PZ 0.00000 0.01137 0.00000 0.00000 0.00000 88 5 H 1S 0.00678 0.04275 -0.02776 0.00645 -0.01558 89 2S 0.10284 0.02093 -0.12019 -0.05056 -0.00438 90 3S -0.48854 1.92431 -0.96734 -0.10109 -0.95222 91 4PX -0.00253 -0.01255 -0.01329 -0.00944 0.00336 92 4PY 0.00486 0.01511 0.00716 0.00241 -0.00562 93 4PZ 0.00776 0.01106 -0.00239 0.00049 -0.00553 94 6 O 1S 0.00511 0.00000 -0.02026 -0.02259 0.01084 95 2S 0.00893 0.00000 -0.03268 -0.03636 0.01747 96 2PX 0.00047 0.00000 -0.12724 -0.04972 0.05401 97 2PY 0.01160 0.00000 -0.00653 -0.05104 -0.06232 98 2PZ 0.00000 0.11034 0.00000 0.00000 0.00000 99 3S -0.04065 0.00000 0.08295 0.09131 -0.03572 100 3PX 0.00114 0.00000 -0.18604 -0.07061 0.09667 101 3PY 0.01802 0.00000 -0.01083 -0.07690 -0.07919 102 3PZ 0.00000 0.13301 0.00000 0.00000 0.00000 103 4S 0.02095 0.00000 0.52657 0.64261 -0.40489 104 4PX 0.04944 0.00000 -0.31642 -0.24581 0.13889 105 4PY -0.02695 0.00000 0.03605 -0.06407 -0.10496 106 4PZ 0.00000 0.36058 0.00000 0.00000 0.00000 107 5S -2.42411 0.00000 -1.29409 0.55670 1.27683 108 5PX 0.73445 0.00000 0.36068 0.16178 1.35109 109 5PY 0.23317 0.00000 -0.27928 -0.48579 -1.48157 110 5PZ 0.00000 -0.39330 0.00000 0.00000 0.00000 111 6D 0 0.00011 0.00000 -0.00022 0.00146 -0.00193 112 6D+1 0.00000 0.00185 0.00000 0.00000 0.00000 113 6D-1 0.00000 -0.00029 0.00000 0.00000 0.00000 114 6D+2 0.00256 0.00000 -0.00169 0.00193 0.00557 115 6D-2 0.00013 0.00000 0.00065 0.00289 -0.00255 116 7D 0 0.00757 0.00000 0.00347 0.00764 0.00633 117 7D+1 0.00000 -0.00015 0.00000 0.00000 0.00000 118 7D-1 0.00000 -0.00126 0.00000 0.00000 0.00000 119 7D+2 0.00080 0.00000 0.00545 0.03007 0.03677 120 7D-2 0.00207 0.00000 0.00328 0.01272 -0.01153 121 7 H 1S -0.01649 0.00000 -0.01075 -0.07883 -0.05455 122 2S -0.04634 0.00000 0.08382 -0.05646 0.02778 123 3S 0.31260 0.00000 -0.46906 -1.66667 -2.40522 124 4PX 0.00398 0.00000 -0.01011 -0.00787 0.01460 125 4PY -0.00892 0.00000 0.00916 0.02385 0.03843 126 4PZ 0.00000 -0.01180 0.00000 0.00000 0.00000 127 8 H 1S 0.00678 -0.04275 -0.02776 0.00645 -0.01558 128 2S 0.10284 -0.02093 -0.12019 -0.05056 -0.00438 129 3S -0.48854 -1.92431 -0.96734 -0.10109 -0.95222 130 4PX -0.00253 0.01255 -0.01329 -0.00944 0.00336 131 4PY 0.00486 -0.01511 0.00716 0.00241 -0.00562 132 4PZ -0.00776 0.01106 0.00239 -0.00049 0.00553 31 32 33 34 35 V V V V V Eigenvalues -- 0.21872 0.22190 0.22570 0.24849 0.25513 1 1 C 1S 0.00000 0.00247 -0.03261 -0.02429 0.00000 2 2S 0.00000 0.00372 -0.05405 -0.04043 0.00000 3 2PX 0.00000 -0.10394 -0.00004 -0.03271 0.00000 4 2PY 0.00000 0.01567 0.08425 -0.09996 0.00000 5 2PZ 0.13366 0.00000 0.00000 0.00000 -0.01490 6 3S 0.00000 -0.00641 0.15982 0.08422 0.00000 7 3PX 0.00000 -0.16749 0.07210 -0.07472 0.00000 8 3PY 0.00000 -0.00107 0.04650 -0.21053 0.00000 9 3PZ 0.16711 0.00000 0.00000 0.00000 -0.03357 10 4S 0.00000 -0.29096 1.16079 1.84865 0.00000 11 4PX 0.00000 -0.75585 -0.09180 -0.19804 0.00000 12 4PY 0.00000 0.43435 0.61461 -1.40512 0.00000 13 4PZ 1.18511 0.00000 0.00000 0.00000 -0.62510 14 5S 0.00000 4.79502 17.91666 -9.50075 0.00000 15 5PX 0.00000 -0.81353 -2.50715 2.72373 0.00000 16 5PY 0.00000 0.03554 -3.45960 3.07767 0.00000 17 5PZ 2.01141 0.00000 0.00000 0.00000 -1.84764 18 6D 0 0.00000 -0.00477 -0.00138 0.01619 0.00000 19 6D+1 0.00528 0.00000 0.00000 0.00000 -0.00509 20 6D-1 -0.01020 0.00000 0.00000 0.00000 0.00445 21 6D+2 0.00000 0.00982 -0.00691 0.00164 0.00000 22 6D-2 0.00000 -0.00640 0.00957 -0.01042 0.00000 23 7D 0 0.00000 0.00177 -0.03293 -0.02341 0.00000 24 7D+1 -0.01343 0.00000 0.00000 0.00000 0.07279 25 7D-1 0.00363 0.00000 0.00000 0.00000 -0.02756 26 7D+2 0.00000 0.01805 0.03897 0.01962 0.00000 27 7D-2 0.00000 0.00233 0.02765 0.00241 0.00000 28 2 C 1S 0.00000 0.03799 -0.00843 0.00901 0.00000 29 2S 0.00000 0.05985 -0.01413 0.01428 0.00000 30 2PX 0.00000 0.02276 0.00359 -0.11351 0.00000 31 2PY 0.00000 0.01125 0.00489 -0.07727 0.00000 32 2PZ -0.03293 0.00000 0.00000 0.00000 0.00531 33 3S 0.00000 -0.09209 0.04647 -0.00611 0.00000 34 3PX 0.00000 0.02044 0.02588 -0.12997 0.00000 35 3PY 0.00000 0.01132 0.01923 -0.15011 0.00000 36 3PZ -0.07023 0.00000 0.00000 0.00000 -0.05181 37 4S 0.00000 -2.61433 0.68649 -0.07520 0.00000 38 4PX 0.00000 0.00859 0.11805 -1.41305 0.00000 39 4PY 0.00000 0.51675 -0.58898 -1.39323 0.00000 40 4PZ -0.17529 0.00000 0.00000 0.00000 0.38338 41 5S 0.00000 -4.73319 -14.37699 10.13504 0.00000 42 5PX 0.00000 0.10078 -2.46953 0.19524 0.00000 43 5PY 0.00000 -1.95584 -2.59200 1.27618 0.00000 44 5PZ 0.03586 0.00000 0.00000 0.00000 1.95379 45 6D 0 0.00000 -0.00156 -0.00463 -0.01063 0.00000 46 6D+1 0.00722 0.00000 0.00000 0.00000 -0.00064 47 6D-1 0.00322 0.00000 0.00000 0.00000 -0.00919 48 6D+2 0.00000 -0.00814 0.00258 0.00062 0.00000 49 6D-2 0.00000 -0.00134 0.00155 0.01691 0.00000 50 7D 0 0.00000 0.00512 -0.00954 0.01861 0.00000 51 7D+1 0.02033 0.00000 0.00000 0.00000 -0.00866 52 7D-1 -0.01462 0.00000 0.00000 0.00000 0.06072 53 7D+2 0.00000 0.04845 -0.02983 -0.02656 0.00000 54 7D-2 0.00000 0.04232 -0.03516 -0.09592 0.00000 55 3 O 1S 0.00000 -0.00798 -0.00123 -0.00662 0.00000 56 2S 0.00000 -0.01299 -0.00230 -0.01108 0.00000 57 2PX 0.00000 -0.02021 -0.01967 0.00461 0.00000 58 2PY 0.00000 -0.00132 -0.00549 -0.00836 0.00000 59 2PZ 0.08217 0.00000 0.00000 0.00000 0.09275 60 3S 0.00000 0.03362 0.01524 0.04242 0.00000 61 3PX 0.00000 -0.03409 -0.02467 0.02578 0.00000 62 3PY 0.00000 0.02473 -0.00968 -0.00090 0.00000 63 3PZ 0.08570 0.00000 0.00000 0.00000 0.09530 64 4S 0.00000 0.37955 -0.17940 -0.03919 0.00000 65 4PX 0.00000 -0.09976 -0.02593 -0.00150 0.00000 66 4PY 0.00000 0.05007 -0.11522 -0.21756 0.00000 67 4PZ 0.33236 0.00000 0.00000 0.00000 0.44247 68 5S 0.00000 1.54097 -1.08100 -1.90607 0.00000 69 5PX 0.00000 -0.67696 0.24286 1.60573 0.00000 70 5PY 0.00000 1.93372 -0.93956 -0.16177 0.00000 71 5PZ -0.98983 0.00000 0.00000 0.00000 -1.91411 72 6D 0 0.00000 0.00248 -0.00108 -0.00204 0.00000 73 6D+1 -0.00007 0.00000 0.00000 0.00000 -0.00019 74 6D-1 0.00076 0.00000 0.00000 0.00000 0.00203 75 6D+2 0.00000 0.00431 -0.00156 0.00166 0.00000 76 6D-2 0.00000 0.00344 -0.00051 -0.00585 0.00000 77 7D 0 0.00000 0.00864 -0.00048 0.00363 0.00000 78 7D+1 -0.00047 0.00000 0.00000 0.00000 -0.00962 79 7D-1 0.00704 0.00000 0.00000 0.00000 0.02641 80 7D+2 0.00000 0.01334 0.00087 0.02597 0.00000 81 7D-2 0.00000 0.00561 -0.00113 -0.01800 0.00000 82 4 H 1S 0.00000 0.01127 0.02396 0.01327 0.00000 83 2S 0.00000 -0.04002 0.13118 -0.03901 0.00000 84 3S 0.00000 1.09973 0.34964 -1.09039 0.00000 85 4PX 0.00000 -0.01304 0.00576 0.00183 0.00000 86 4PY 0.00000 0.00146 0.00288 -0.02847 0.00000 87 4PZ -0.00677 0.00000 0.00000 0.00000 -0.00197 88 5 H 1S -0.03814 -0.01848 -0.04338 0.03456 0.01116 89 2S -0.16901 -0.06599 0.06174 0.13060 0.25891 90 3S -1.85929 -0.80703 -2.98080 0.91116 0.14471 91 4PX 0.00326 -0.00984 0.02022 -0.00504 -0.00209 92 4PY -0.00822 -0.00211 -0.01058 -0.01698 -0.01517 93 4PZ -0.00310 -0.00470 -0.01856 0.00355 -0.01099 94 6 O 1S 0.00000 -0.00680 0.00640 -0.01165 0.00000 95 2S 0.00000 -0.01073 0.01021 -0.02011 0.00000 96 2PX 0.00000 -0.03279 0.08201 0.05813 0.00000 97 2PY 0.00000 0.09490 -0.04025 0.03710 0.00000 98 2PZ 0.04389 0.00000 0.00000 0.00000 -0.06826 99 3S 0.00000 0.01987 -0.01725 0.09420 0.00000 100 3PX 0.00000 -0.05668 0.09832 0.05760 0.00000 101 3PY 0.00000 0.12330 -0.05173 0.02910 0.00000 102 3PZ 0.03363 0.00000 0.00000 0.00000 -0.06306 103 4S 0.00000 0.24776 -0.28316 -0.15551 0.00000 104 4PX 0.00000 -0.12454 0.42518 0.38797 0.00000 105 4PY 0.00000 0.31599 -0.17878 0.32004 0.00000 106 4PZ 0.23007 0.00000 0.00000 0.00000 -0.34200 107 5S 0.00000 0.54553 0.16520 1.13607 0.00000 108 5PX 0.00000 -0.71326 -1.53986 -0.32632 0.00000 109 5PY 0.00000 -0.56508 -0.13449 -1.93900 0.00000 110 5PZ -1.42554 0.00000 0.00000 0.00000 1.63294 111 6D 0 0.00000 0.00175 0.00032 0.00027 0.00000 112 6D+1 -0.00420 0.00000 0.00000 0.00000 0.00253 113 6D-1 0.00080 0.00000 0.00000 0.00000 0.00012 114 6D+2 0.00000 -0.00299 -0.00109 0.00476 0.00000 115 6D-2 0.00000 0.00106 -0.00257 0.00024 0.00000 116 7D 0 0.00000 0.00651 0.01836 0.02903 0.00000 117 7D+1 -0.01882 0.00000 0.00000 0.00000 0.02142 118 7D-1 0.00047 0.00000 0.00000 0.00000 0.00782 119 7D+2 0.00000 -0.00329 -0.02678 0.02869 0.00000 120 7D-2 0.00000 0.00301 0.00139 -0.00497 0.00000 121 7 H 1S 0.00000 0.02585 0.00169 -0.04178 0.00000 122 2S 0.00000 0.08252 0.01872 0.00357 0.00000 123 3S 0.00000 -0.24288 -0.88394 -1.97217 0.00000 124 4PX 0.00000 -0.00639 -0.00451 0.00666 0.00000 125 4PY 0.00000 -0.01303 0.00426 0.03103 0.00000 126 4PZ -0.01639 0.00000 0.00000 0.00000 0.00614 127 8 H 1S 0.03814 -0.01848 -0.04338 0.03456 -0.01116 128 2S 0.16901 -0.06599 0.06174 0.13060 -0.25891 129 3S 1.85929 -0.80703 -2.98080 0.91116 -0.14471 130 4PX -0.00326 -0.00984 0.02022 -0.00504 0.00209 131 4PY 0.00822 -0.00211 -0.01058 -0.01698 0.01517 132 4PZ -0.00310 0.00470 0.01856 -0.00355 -0.01099 36 37 38 39 40 V V V V V Eigenvalues -- 0.27262 0.29037 0.30816 0.34263 0.40528 1 1 C 1S -0.01838 -0.01878 0.03177 -0.00458 0.01285 2 2S -0.02761 -0.03130 0.05000 -0.00783 0.01694 3 2PX -0.10142 -0.01018 0.02804 -0.01616 -0.11166 4 2PY -0.05256 -0.06435 0.04978 0.03736 -0.05268 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00449 0.07967 -0.04775 -0.05841 0.06198 7 3PX -0.15551 -0.03602 -0.00165 -0.10279 -0.25065 8 3PY -0.08232 -0.11732 0.07192 -0.01514 -0.16836 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 1.45524 1.05365 -2.83172 2.85384 -1.41163 11 4PX -1.43072 -0.78383 -0.85117 0.21133 -2.05274 12 4PY -1.42271 -0.60257 1.69836 -0.03739 1.77229 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 2.12900 10.56632 -3.34502 25.15162 -15.07973 15 5PX -0.74054 -4.47054 -0.07549 -3.19199 1.56976 16 5PY -0.46696 -2.29653 1.63420 -6.34578 2.83450 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.01491 0.00187 -0.01072 -0.01313 -0.02211 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 0.00932 -0.00334 -0.00564 -0.00922 -0.01067 22 6D-2 -0.02070 -0.00574 -0.00361 0.00118 -0.00646 23 7D 0 -0.05216 0.00616 0.18590 -0.06164 0.18602 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 -0.02876 0.00538 -0.06627 -0.05937 -0.12566 27 7D-2 0.06685 0.11467 0.03302 0.00053 -0.01932 28 2 C 1S 0.02600 0.02168 -0.01550 -0.01781 -0.02518 29 2S 0.04521 0.03489 -0.02647 -0.03484 -0.04778 30 2PX -0.09878 -0.04187 0.01767 0.05490 -0.02050 31 2PY -0.10636 -0.00870 0.01542 -0.02788 -0.05508 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.08943 -0.06458 0.05644 0.18407 0.11011 34 3PX -0.21265 -0.06609 0.02233 0.08761 0.06690 35 3PY -0.15927 -0.06667 0.08441 -0.05231 -0.12497 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S -3.45127 -0.83875 0.44697 -0.58688 5.29310 38 4PX -1.54214 -0.28026 0.63729 0.03001 1.69882 39 4PY -0.37809 -1.02804 0.67695 -1.41881 -3.96975 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -3.84088 -9.32264 0.27588 -23.84381 15.87499 42 5PX -1.00111 -0.56968 -0.76489 -4.26849 3.53579 43 5PY 0.73587 -4.87791 -0.91881 -4.43770 3.18652 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 -0.00580 -0.00942 0.01312 0.01161 0.00554 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 0.00104 -0.00721 -0.00350 0.00899 0.00880 49 6D-2 0.01158 0.00582 -0.00477 0.02474 0.02794 50 7D 0 0.12229 -0.05476 0.01319 0.02530 -0.25028 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 0.06601 0.04239 0.13075 0.03903 -0.13713 54 7D-2 0.05850 -0.11826 -0.01438 -0.11228 -0.09734 55 3 O 1S 0.02491 -0.02391 0.01186 0.02914 0.00673 56 2S 0.04104 -0.03934 0.01871 0.04662 0.00898 57 2PX 0.04185 -0.03704 -0.06309 -0.00268 0.09041 58 2PY 0.04917 -0.01681 -0.03413 -0.06528 -0.07776 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.13635 0.12510 -0.03939 -0.10166 0.05038 61 3PX 0.04809 -0.04768 -0.05129 0.01091 0.11040 62 3PY 0.03406 0.00828 -0.04862 -0.11464 -0.11730 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.14577 0.30956 -0.39125 -1.42637 -2.02689 65 4PX 0.10459 -0.13673 -0.51807 -0.06328 0.70073 66 4PY 0.63910 -0.35050 -0.04532 -0.33201 -1.26734 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 4.12708 -2.68065 2.24370 2.83590 -7.86524 69 5PX -0.10093 1.17649 1.71838 1.09099 -0.56956 70 5PY 0.22467 1.21399 1.05969 1.22860 -2.57596 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00163 0.00016 0.00256 0.00172 -0.00443 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00611 0.00063 -0.00080 0.00092 -0.00396 76 6D-2 -0.00168 -0.00216 0.00194 -0.00125 -0.00437 77 7D 0 -0.02679 0.00916 0.00968 0.00389 0.01786 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 -0.01227 0.03579 -0.00724 0.01333 0.04725 81 7D-2 -0.01137 -0.00966 -0.03409 -0.01502 0.02804 82 4 H 1S -0.00918 0.02598 -0.02117 -0.01949 -0.02910 83 2S 0.04644 0.10504 -0.19062 -0.21954 0.04204 84 3S -1.01276 0.29891 0.74409 1.29426 0.47948 85 4PX 0.01136 -0.00740 -0.01378 -0.01998 -0.00506 86 4PY -0.02299 0.00629 0.01532 -0.03567 -0.04639 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S 0.00609 -0.01053 0.00231 -0.00206 0.00287 89 2S 0.15544 -0.02029 -0.19587 -0.19513 -0.39179 90 3S -0.75029 -0.55542 0.29094 -0.62931 -0.24772 91 4PX -0.00555 0.00433 -0.00039 -0.01378 -0.01268 92 4PY -0.01619 0.00144 0.02419 0.02396 0.03483 93 4PZ -0.00337 -0.00298 0.00550 -0.00737 0.00203 94 6 O 1S 0.00881 0.01807 0.00539 -0.02461 -0.00280 95 2S 0.01403 0.03012 0.00909 -0.03942 -0.00422 96 2PX -0.01965 0.00315 -0.03783 0.01801 -0.06423 97 2PY 0.02932 -0.04511 -0.02561 -0.02848 0.01049 98 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 3S -0.03396 -0.11096 -0.04080 0.08574 -0.01807 100 3PX -0.00954 0.02440 -0.03280 -0.00207 -0.08295 101 3PY 0.05068 -0.04110 -0.01849 -0.04680 0.01270 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S -0.31939 -0.11406 0.13742 1.06053 0.57410 104 4PX -0.15915 -0.15770 -0.61572 0.22230 -0.71944 105 4PY 0.08005 -0.37762 -0.06027 -0.22299 -0.06580 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S 2.15455 -0.65646 9.63141 -7.47509 4.29230 108 5PX -0.46167 0.71409 -0.77237 1.81383 -1.60796 109 5PY 0.77767 3.08804 -3.24902 1.67822 -0.05632 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 0.00200 -0.00056 0.00652 -0.00412 0.00756 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00004 0.00015 -0.00201 0.00219 -0.00152 115 6D-2 0.00502 0.00223 0.00179 0.00088 0.00317 116 7D 0 0.00468 -0.02205 -0.00314 -0.01360 -0.02481 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00945 -0.01032 0.04476 -0.02667 0.00683 120 7D-2 0.02001 0.02224 0.00998 0.01450 0.01388 121 7 H 1S 0.00357 0.01261 -0.04996 -0.02746 -0.02382 122 2S 0.04274 -0.14414 -0.04116 -0.10630 -0.46043 123 3S -0.07163 2.18574 -7.11737 1.59446 0.75789 124 4PX -0.01377 0.00143 0.00994 -0.01707 -0.00262 125 4PY -0.00830 -0.03007 0.02289 -0.02236 -0.02361 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00609 -0.01053 0.00231 -0.00206 0.00287 128 2S 0.15544 -0.02029 -0.19587 -0.19513 -0.39179 129 3S -0.75029 -0.55542 0.29094 -0.62931 -0.24772 130 4PX -0.00555 0.00433 -0.00039 -0.01378 -0.01268 131 4PY -0.01619 0.00144 0.02419 0.02396 0.03483 132 4PZ 0.00337 0.00298 -0.00550 0.00737 -0.00203 41 42 43 44 45 V V V V V Eigenvalues -- 0.43423 0.46158 0.47601 0.50850 0.51961 1 1 C 1S 0.00000 -0.03163 0.02350 0.00000 -0.00612 2 2S 0.00000 -0.05948 0.04355 0.00000 -0.01401 3 2PX 0.00000 0.06388 -0.11909 0.00000 -0.15480 4 2PY 0.00000 -0.16582 0.04448 0.00000 0.00803 5 2PZ -0.00064 0.00000 0.00000 0.02287 0.00000 6 3S 0.00000 0.34867 -0.23671 0.00000 0.10331 7 3PX 0.00000 0.12942 -0.21010 0.00000 -0.40381 8 3PY 0.00000 -0.30049 0.04512 0.00000 -0.08768 9 3PZ 0.05627 0.00000 0.00000 0.04030 0.00000 10 4S 0.00000 -1.77267 0.21537 0.00000 0.49638 11 4PX 0.00000 -0.24614 0.90464 0.00000 3.29406 12 4PY 0.00000 2.65683 -0.54845 0.00000 -0.43847 13 4PZ 1.31976 0.00000 0.00000 -0.48659 0.00000 14 5S 0.00000 -1.23045 -7.22488 0.00000 0.20569 15 5PX 0.00000 1.48125 1.41899 0.00000 -0.64121 16 5PY 0.00000 -0.68953 1.53284 0.00000 -0.29240 17 5PZ -1.56558 0.00000 0.00000 0.69278 0.00000 18 6D 0 0.00000 -0.01369 0.00603 0.00000 -0.00238 19 6D+1 0.01086 0.00000 0.00000 -0.00507 0.00000 20 6D-1 -0.02555 0.00000 0.00000 -0.00378 0.00000 21 6D+2 0.00000 -0.00929 -0.00777 0.00000 0.00618 22 6D-2 0.00000 -0.00184 0.00458 0.00000 0.02504 23 7D 0 0.00000 0.26528 -0.29049 0.00000 -0.19829 24 7D+1 -0.02591 0.00000 0.00000 0.05579 0.00000 25 7D-1 0.03811 0.00000 0.00000 0.13080 0.00000 26 7D+2 0.00000 -0.14321 -0.03782 0.00000 0.32463 27 7D-2 0.00000 -0.17463 -0.15004 0.00000 -0.10598 28 2 C 1S 0.00000 0.03227 0.00281 0.00000 0.01353 29 2S 0.00000 0.05588 0.00539 0.00000 0.01791 30 2PX 0.00000 -0.07960 0.08748 0.00000 -0.02370 31 2PY 0.00000 -0.01205 0.04231 0.00000 0.12097 32 2PZ -0.08235 0.00000 0.00000 -0.23410 0.00000 33 3S 0.00000 -0.19935 0.03960 0.00000 0.09043 34 3PX 0.00000 -0.06527 0.25179 0.00000 0.16943 35 3PY 0.00000 0.16546 0.07987 0.00000 0.33039 36 3PZ -0.19199 0.00000 0.00000 -0.84584 0.00000 37 4S 0.00000 -0.13296 -0.26854 0.00000 -0.46649 38 4PX 0.00000 0.75781 0.42194 0.00000 -0.88483 39 4PY 0.00000 1.87369 -0.22477 0.00000 0.66348 40 4PZ -0.23581 0.00000 0.00000 1.90705 0.00000 41 5S 0.00000 0.92038 7.98105 0.00000 -1.71370 42 5PX 0.00000 -1.14694 0.66458 0.00000 -0.24760 43 5PY 0.00000 1.69078 1.97300 0.00000 0.20168 44 5PZ 0.61364 0.00000 0.00000 -1.02151 0.00000 45 6D 0 0.00000 -0.01228 -0.01212 0.00000 -0.01787 46 6D+1 0.00953 0.00000 0.00000 -0.01087 0.00000 47 6D-1 0.01630 0.00000 0.00000 -0.00133 0.00000 48 6D+2 0.00000 -0.00662 0.02333 0.00000 -0.01075 49 6D-2 0.00000 -0.00377 -0.00455 0.00000 0.00383 50 7D 0 0.00000 -0.24767 -0.10965 0.00000 -0.03816 51 7D+1 0.22694 0.00000 0.00000 -0.18196 0.00000 52 7D-1 -0.08585 0.00000 0.00000 0.08765 0.00000 53 7D+2 0.00000 0.14190 -0.17106 0.00000 -0.43856 54 7D-2 0.00000 0.18906 0.03457 0.00000 0.02855 55 3 O 1S 0.00000 -0.00524 0.00241 0.00000 -0.01313 56 2S 0.00000 -0.00901 0.00511 0.00000 -0.02336 57 2PX 0.00000 -0.02167 -0.07465 0.00000 -0.00499 58 2PY 0.00000 0.08617 -0.01149 0.00000 0.11865 59 2PZ 0.02375 0.00000 0.00000 0.01653 0.00000 60 3S 0.00000 0.02347 -0.04121 0.00000 0.10595 61 3PX 0.00000 -0.02758 -0.11445 0.00000 0.03196 62 3PY 0.00000 0.11788 -0.04021 0.00000 0.17215 63 3PZ 0.02234 0.00000 0.00000 0.05412 0.00000 64 4S 0.00000 0.27759 -0.21259 0.00000 -0.26553 65 4PX 0.00000 -0.31217 0.00089 0.00000 0.01385 66 4PY 0.00000 0.56673 0.02065 0.00000 0.26684 67 4PZ 0.01323 0.00000 0.00000 -0.14419 0.00000 68 5S 0.00000 3.51363 0.26730 0.00000 2.66414 69 5PX 0.00000 -0.50526 0.13956 0.00000 0.21933 70 5PY 0.00000 0.64462 -0.00982 0.00000 0.72950 71 5PZ -0.14223 0.00000 0.00000 -0.15543 0.00000 72 6D 0 0.00000 0.00240 0.00181 0.00000 0.00255 73 6D+1 0.00096 0.00000 0.00000 0.00040 0.00000 74 6D-1 0.00146 0.00000 0.00000 -0.00382 0.00000 75 6D+2 0.00000 0.00471 -0.00169 0.00000 0.00660 76 6D-2 0.00000 0.00393 0.00136 0.00000 -0.00085 77 7D 0 0.00000 -0.00374 -0.02235 0.00000 0.02915 78 7D+1 0.03592 0.00000 0.00000 -0.00476 0.00000 79 7D-1 -0.02109 0.00000 0.00000 -0.03773 0.00000 80 7D+2 0.00000 -0.01689 -0.01870 0.00000 -0.00357 81 7D-2 0.00000 -0.03220 0.06177 0.00000 0.01398 82 4 H 1S 0.00000 0.04758 0.12588 0.00000 0.00458 83 2S 0.00000 0.62755 1.52191 0.00000 0.03887 84 3S 0.00000 -1.90035 -1.97953 0.00000 -0.20120 85 4PX 0.00000 0.01151 0.03587 0.00000 0.04398 86 4PY 0.00000 0.03361 -0.01481 0.00000 -0.03648 87 4PZ -0.00538 0.00000 0.00000 0.01706 0.00000 88 5 H 1S -0.07912 -0.02060 0.03919 -0.00852 -0.02414 89 2S -1.29366 -0.75033 0.37733 0.07873 0.17898 90 3S 1.64540 -0.02061 0.54754 -0.35618 0.98668 91 4PX -0.00086 -0.00446 0.00665 -0.03053 0.01894 92 4PY 0.01296 0.04582 -0.00638 -0.03521 -0.02823 93 4PZ 0.05803 0.02746 -0.00677 0.00638 -0.02352 94 6 O 1S 0.00000 0.00371 -0.00474 0.00000 -0.01329 95 2S 0.00000 0.00900 -0.00868 0.00000 -0.02618 96 2PX 0.00000 0.09846 -0.05511 0.00000 -0.07908 97 2PY 0.00000 -0.03558 0.09562 0.00000 -0.07869 98 2PZ -0.07378 0.00000 0.00000 0.00264 0.00000 99 3S 0.00000 -0.12399 0.07412 0.00000 0.19459 100 3PX 0.00000 0.14503 -0.05741 0.00000 -0.12130 101 3PY 0.00000 -0.05487 0.16943 0.00000 -0.13172 102 3PZ -0.09605 0.00000 0.00000 -0.00020 0.00000 103 4S 0.00000 1.17792 -0.68843 0.00000 -1.33703 104 4PX 0.00000 -0.19204 0.12044 0.00000 0.64245 105 4PY 0.00000 -0.44630 0.50043 0.00000 -0.52482 106 4PZ -0.27885 0.00000 0.00000 0.05119 0.00000 107 5S 0.00000 -0.82267 1.16434 0.00000 -1.59769 108 5PX 0.00000 -0.47145 0.71299 0.00000 0.97527 109 5PY 0.00000 -0.03374 -1.35020 0.00000 -0.14187 110 5PZ 0.14926 0.00000 0.00000 0.03152 0.00000 111 6D 0 0.00000 0.00415 -0.00410 0.00000 0.00240 112 6D+1 -0.00499 0.00000 0.00000 0.00081 0.00000 113 6D-1 0.00413 0.00000 0.00000 0.00020 0.00000 114 6D+2 0.00000 0.00732 -0.00703 0.00000 0.00355 115 6D-2 0.00000 -0.00298 0.00574 0.00000 -0.00202 116 7D 0 0.00000 -0.06613 0.04090 0.00000 0.05315 117 7D+1 -0.02123 0.00000 0.00000 -0.00216 0.00000 118 7D-1 -0.01606 0.00000 0.00000 -0.00999 0.00000 119 7D+2 0.00000 0.00600 -0.00424 0.00000 -0.06563 120 7D-2 0.00000 0.00462 0.01667 0.00000 0.01666 121 7 H 1S 0.00000 -0.06277 0.04582 0.00000 -0.03342 122 2S 0.00000 -0.75054 1.05329 0.00000 -0.73217 123 3S 0.00000 0.70444 -2.89980 0.00000 0.44477 124 4PX 0.00000 0.00575 -0.05801 0.00000 0.03368 125 4PY 0.00000 -0.06387 0.03820 0.00000 0.01683 126 4PZ 0.00214 0.00000 0.00000 -0.00024 0.00000 127 8 H 1S 0.07912 -0.02060 0.03919 0.00852 -0.02414 128 2S 1.29366 -0.75033 0.37733 -0.07873 0.17898 129 3S -1.64540 -0.02061 0.54754 0.35618 0.98668 130 4PX 0.00086 -0.00446 0.00665 0.03053 0.01894 131 4PY -0.01296 0.04582 -0.00638 0.03521 -0.02823 132 4PZ 0.05803 -0.02746 0.00677 0.00638 0.02352 46 47 48 49 50 V V V V V Eigenvalues -- 0.55237 0.58267 0.58622 0.62091 0.63851 1 1 C 1S 0.04035 0.01193 0.00000 0.03920 0.00000 2 2S 0.07242 0.02149 0.00000 0.07039 0.00000 3 2PX 0.02709 -0.17230 0.00000 0.09816 0.00000 4 2PY 0.07095 -0.10575 0.00000 -0.09833 0.00000 5 2PZ 0.00000 0.00000 -0.26904 0.00000 0.01533 6 3S -0.34198 0.01941 0.00000 -0.29925 0.00000 7 3PX 0.02734 -0.19117 0.00000 0.19082 0.00000 8 3PY 0.07977 -0.02035 0.00000 -0.39956 0.00000 9 3PZ 0.00000 0.00000 -0.82609 0.00000 0.12679 10 4S 0.65688 -4.99329 0.00000 0.10331 0.00000 11 4PX -1.25072 4.13644 0.00000 -1.37053 0.00000 12 4PY -0.72850 3.60104 0.00000 1.04473 0.00000 13 4PZ 0.00000 0.00000 3.31031 0.00000 1.02452 14 5S 5.07917 12.42576 0.00000 5.80071 0.00000 15 5PX -1.25897 -2.07631 0.00000 -1.38781 0.00000 16 5PY -0.99556 -2.63757 0.00000 -0.87598 0.00000 17 5PZ 0.00000 0.00000 1.31086 0.00000 0.11892 18 6D 0 0.00265 0.00555 0.00000 0.00138 0.00000 19 6D+1 0.00000 0.00000 0.00040 0.00000 0.01841 20 6D-1 0.00000 0.00000 0.01206 0.00000 0.00979 21 6D+2 -0.00476 -0.00866 0.00000 -0.01112 0.00000 22 6D-2 -0.01416 0.00146 0.00000 -0.00529 0.00000 23 7D 0 0.02779 0.34889 0.00000 0.16191 0.00000 24 7D+1 0.00000 0.00000 -0.20619 0.00000 0.58139 25 7D-1 0.00000 0.00000 0.33881 0.00000 0.36550 26 7D+2 -0.10902 0.24969 0.00000 0.04107 0.00000 27 7D-2 0.13880 -0.62577 0.00000 0.21819 0.00000 28 2 C 1S -0.01191 0.01146 0.00000 -0.01848 0.00000 29 2S -0.02137 0.02493 0.00000 -0.03473 0.00000 30 2PX 0.14235 -0.10884 0.00000 -0.12524 0.00000 31 2PY 0.01541 -0.17749 0.00000 0.19228 0.00000 32 2PZ 0.00000 0.00000 -0.00365 0.00000 0.03680 33 3S 0.18968 -0.37894 0.00000 0.24209 0.00000 34 3PX 0.35089 -0.15363 0.00000 -0.43687 0.00000 35 3PY -0.03317 -0.33029 0.00000 0.49951 0.00000 36 3PZ 0.00000 0.00000 -0.04678 0.00000 0.15653 37 4S -1.85869 5.69556 0.00000 -0.52434 0.00000 38 4PX -1.01566 4.18459 0.00000 2.04965 0.00000 39 4PY 0.03688 4.56060 0.00000 -1.65877 0.00000 40 4PZ 0.00000 0.00000 -0.33680 0.00000 -0.00332 41 5S -4.33223 -11.51467 0.00000 -4.23738 0.00000 42 5PX -1.11395 -1.42741 0.00000 0.50698 0.00000 43 5PY -0.69974 -2.30759 0.00000 -0.95207 0.00000 44 5PZ 0.00000 0.00000 -0.39476 0.00000 -0.09578 45 6D 0 -0.00184 0.01279 0.00000 0.00438 0.00000 46 6D+1 0.00000 0.00000 0.00324 0.00000 -0.00969 47 6D-1 0.00000 0.00000 0.00774 0.00000 -0.00866 48 6D+2 0.01700 0.00728 0.00000 -0.00821 0.00000 49 6D-2 -0.00863 -0.01460 0.00000 0.00203 0.00000 50 7D 0 0.22883 -0.07487 0.00000 -0.09499 0.00000 51 7D+1 0.00000 0.00000 0.09261 0.00000 -0.25923 52 7D-1 0.00000 0.00000 -0.25983 0.00000 -0.48428 53 7D+2 0.15583 -0.23398 0.00000 -0.06595 0.00000 54 7D-2 -0.15223 0.64175 0.00000 -0.19044 0.00000 55 3 O 1S 0.00647 0.00835 0.00000 -0.01295 0.00000 56 2S 0.01122 0.01339 0.00000 -0.02264 0.00000 57 2PX -0.01769 0.00329 0.00000 -0.00567 0.00000 58 2PY -0.04146 -0.04683 0.00000 0.06840 0.00000 59 2PZ 0.00000 0.00000 -0.00456 0.00000 -0.03217 60 3S -0.04679 -0.02530 0.00000 0.09437 0.00000 61 3PX -0.00492 0.04566 0.00000 0.00437 0.00000 62 3PY -0.05394 -0.04385 0.00000 0.08770 0.00000 63 3PZ 0.00000 0.00000 -0.01329 0.00000 -0.05806 64 4S 0.38807 -0.00037 0.00000 -0.71985 0.00000 65 4PX -0.28121 -0.13494 0.00000 -0.19539 0.00000 66 4PY 0.04538 -0.31933 0.00000 0.05848 0.00000 67 4PZ 0.00000 0.00000 -0.12079 0.00000 -0.25443 68 5S 0.79558 1.51444 0.00000 -1.33902 0.00000 69 5PX -0.39380 -1.14312 0.00000 -0.26628 0.00000 70 5PY 0.49486 0.39739 0.00000 -0.43400 0.00000 71 5PZ 0.00000 0.00000 -0.04981 0.00000 0.05098 72 6D 0 -0.00146 -0.00316 0.00000 0.00760 0.00000 73 6D+1 0.00000 0.00000 -0.00154 0.00000 -0.00532 74 6D-1 0.00000 0.00000 0.00463 0.00000 0.00775 75 6D+2 -0.00389 -0.00246 0.00000 0.00663 0.00000 76 6D-2 0.00573 -0.00603 0.00000 0.00852 0.00000 77 7D 0 0.00139 0.03742 0.00000 0.01103 0.00000 78 7D+1 0.00000 0.00000 0.03703 0.00000 -0.03647 79 7D-1 0.00000 0.00000 -0.00669 0.00000 -0.02567 80 7D+2 -0.02832 -0.02828 0.00000 0.03647 0.00000 81 7D-2 -0.01060 0.00157 0.00000 -0.01727 0.00000 82 4 H 1S 0.06699 0.00785 0.00000 -0.06657 0.00000 83 2S 0.60053 0.34599 0.00000 -0.08559 0.00000 84 3S -1.71823 1.42674 0.00000 2.51981 0.00000 85 4PX -0.00035 0.03341 0.00000 0.04453 0.00000 86 4PY 0.00202 0.00430 0.00000 0.00027 0.00000 87 4PZ 0.00000 0.00000 -0.01989 0.00000 0.04302 88 5 H 1S 0.05851 0.02235 0.08898 0.09682 0.00592 89 2S 0.54572 0.41005 -0.20043 0.79799 -0.47165 90 3S -1.38609 -1.20495 -2.66175 -2.17466 -0.22543 91 4PX 0.00079 -0.02098 -0.02040 0.01258 0.08277 92 4PY 0.01055 -0.01757 0.06482 0.03061 0.05019 93 4PZ 0.00480 0.01831 0.07497 0.02959 0.03181 94 6 O 1S -0.02555 -0.01423 0.00000 -0.00409 0.00000 95 2S -0.04353 -0.02486 0.00000 -0.00587 0.00000 96 2PX -0.04109 -0.03579 0.00000 0.01590 0.00000 97 2PY -0.08218 0.01723 0.00000 0.01781 0.00000 98 2PZ 0.00000 0.00000 0.02728 0.00000 -0.05357 99 3S 0.13579 0.10907 0.00000 -0.01238 0.00000 100 3PX -0.05896 -0.04300 0.00000 0.02838 0.00000 101 3PY -0.17101 0.01975 0.00000 0.02458 0.00000 102 3PZ 0.00000 0.00000 0.08073 0.00000 -0.08224 103 4S 0.83037 -0.10579 0.00000 0.78955 0.00000 104 4PX -0.28252 0.18869 0.00000 -0.36000 0.00000 105 4PY -0.53367 -0.25994 0.00000 -0.00436 0.00000 106 4PZ 0.00000 0.00000 -0.19374 0.00000 -0.26998 107 5S -2.95961 -4.32023 0.00000 -0.15898 0.00000 108 5PX -0.54480 1.05983 0.00000 -0.17267 0.00000 109 5PY 2.70781 0.27797 0.00000 0.57919 0.00000 110 5PZ 0.00000 0.00000 -0.81490 0.00000 -0.20867 111 6D 0 0.00939 0.00073 0.00000 -0.00117 0.00000 112 6D+1 0.00000 0.00000 -0.00167 0.00000 -0.01136 113 6D-1 0.00000 0.00000 0.00111 0.00000 0.00654 114 6D+2 0.01036 0.00149 0.00000 -0.00169 0.00000 115 6D-2 0.00304 0.00315 0.00000 -0.00162 0.00000 116 7D 0 -0.01139 0.00318 0.00000 -0.02472 0.00000 117 7D+1 0.00000 0.00000 0.01956 0.00000 -0.00741 118 7D-1 0.00000 0.00000 -0.02523 0.00000 0.05796 119 7D+2 -0.03091 -0.05936 0.00000 0.02782 0.00000 120 7D-2 0.00537 0.04555 0.00000 0.03116 0.00000 121 7 H 1S -0.10934 -0.00527 0.00000 0.01186 0.00000 122 2S -1.92224 -0.27839 0.00000 0.06620 0.00000 123 3S 6.05004 1.77414 0.00000 0.29205 0.00000 124 4PX 0.02898 -0.00734 0.00000 -0.00298 0.00000 125 4PY -0.04371 -0.02038 0.00000 -0.01115 0.00000 126 4PZ 0.00000 0.00000 0.01526 0.00000 -0.06372 127 8 H 1S 0.05851 0.02235 -0.08898 0.09682 -0.00592 128 2S 0.54572 0.41005 0.20043 0.79799 0.47165 129 3S -1.38609 -1.20495 2.66175 -2.17466 0.22543 130 4PX 0.00079 -0.02098 0.02040 0.01258 -0.08277 131 4PY 0.01055 -0.01757 -0.06482 0.03061 -0.05019 132 4PZ -0.00480 -0.01831 0.07497 -0.02959 0.03181 51 52 53 54 55 V V V V V Eigenvalues -- 0.67117 0.74105 0.76506 0.79527 0.88304 1 1 C 1S 0.02065 0.00000 0.03022 0.01233 0.06077 2 2S 0.03517 0.00000 0.05902 0.02927 0.13138 3 2PX 0.01687 0.00000 0.00033 -0.02149 -0.02430 4 2PY -0.15295 0.00000 -0.01723 0.04154 0.01567 5 2PZ 0.00000 -0.03406 0.00000 0.00000 0.00000 6 3S -0.09593 0.00000 -0.54377 -0.24462 -1.62225 7 3PX -0.03786 0.00000 -0.11863 -0.20968 -0.39338 8 3PY -0.56971 0.00000 -0.00565 0.16474 0.12517 9 3PZ 0.00000 0.01208 0.00000 0.00000 0.00000 10 4S -0.26220 0.00000 2.70230 -0.46171 7.85588 11 4PX 0.75808 0.00000 0.30650 2.60789 -1.38027 12 4PY 1.56047 0.00000 0.64306 -1.06441 -0.52702 13 4PZ 0.00000 2.52109 0.00000 0.00000 0.00000 14 5S 8.70514 0.00000 3.75637 0.93835 -0.48758 15 5PX -1.10052 0.00000 -0.12806 -0.12575 0.31956 16 5PY -1.20432 0.00000 -0.86777 0.15674 0.23978 17 5PZ 0.00000 0.19913 0.00000 0.00000 0.00000 18 6D 0 -0.00394 0.00000 -0.00328 0.00993 0.01787 19 6D+1 0.00000 0.00487 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.00590 0.00000 0.00000 0.00000 21 6D+2 0.00303 0.00000 -0.00328 -0.01873 -0.01018 22 6D-2 0.01396 0.00000 0.00311 0.00160 0.01369 23 7D 0 0.07911 0.00000 0.36913 -0.51626 0.63969 24 7D+1 0.00000 -0.38277 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.52726 0.00000 0.00000 0.00000 26 7D+2 0.01149 0.00000 -0.17866 -0.27488 -0.06458 27 7D-2 0.04047 0.00000 -0.32049 -0.27855 0.39491 28 2 C 1S -0.00186 0.00000 0.09683 -0.01964 -0.03065 29 2S -0.00491 0.00000 0.18613 -0.03158 -0.06318 30 2PX 0.14193 0.00000 0.00405 -0.04952 0.02002 31 2PY -0.08229 0.00000 0.13604 -0.01347 -0.04574 32 2PZ 0.00000 0.03323 0.00000 0.00000 0.00000 33 3S 0.01645 0.00000 -1.63102 0.06243 0.73972 34 3PX 0.46728 0.00000 0.13596 -0.39913 -0.13648 35 3PY -0.03633 0.00000 0.10638 0.18015 0.00228 36 3PZ 0.00000 0.21120 0.00000 0.00000 0.00000 37 4S 0.20917 0.00000 7.98257 -1.53351 -5.77487 38 4PX -3.19797 0.00000 -0.48100 -2.51931 -1.16172 39 4PY 2.53815 0.00000 -2.71807 3.69409 -1.09278 40 4PZ 0.00000 -1.45344 0.00000 0.00000 0.00000 41 5S -7.80559 0.00000 -1.83942 -1.58958 0.89900 42 5PX -2.08239 0.00000 -1.01220 -0.03885 0.17057 43 5PY -1.55543 0.00000 -0.39950 -0.31850 0.17461 44 5PZ 0.00000 -0.03207 0.00000 0.00000 0.00000 45 6D 0 -0.00498 0.00000 -0.00433 0.00505 0.00187 46 6D+1 0.00000 -0.00572 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.01369 0.00000 0.00000 0.00000 48 6D+2 -0.01457 0.00000 -0.00739 0.01317 -0.00248 49 6D-2 0.00779 0.00000 -0.00380 0.00415 0.01312 50 7D 0 -0.05719 0.00000 -0.27516 -0.43109 0.01980 51 7D+1 0.00000 -0.78794 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.50350 0.00000 0.00000 0.00000 53 7D+2 0.54218 0.00000 -0.07693 0.63133 0.42943 54 7D-2 0.16990 0.00000 -0.68881 0.16106 -0.21171 55 3 O 1S 0.00290 0.00000 -0.01570 0.00469 0.00298 56 2S 0.00536 0.00000 -0.02896 0.01299 0.00627 57 2PX 0.03380 0.00000 -0.03922 -0.03584 0.04021 58 2PY -0.00996 0.00000 0.08135 -0.04943 -0.02376 59 2PZ 0.00000 0.07551 0.00000 0.00000 0.00000 60 3S -0.04111 0.00000 0.18668 -0.20188 -0.06496 61 3PX 0.00424 0.00000 -0.07446 -0.13685 0.08343 62 3PY 0.01978 0.00000 0.04758 -0.09554 -0.02892 63 3PZ 0.00000 0.15128 0.00000 0.00000 0.00000 64 4S 1.39398 0.00000 -2.20715 2.46203 0.78397 65 4PX 0.02037 0.00000 0.33037 -0.10682 -0.39894 66 4PY 0.48504 0.00000 -0.90744 1.12776 0.46984 67 4PZ 0.00000 0.51311 0.00000 0.00000 0.00000 68 5S 3.48112 0.00000 -4.55327 3.09460 1.53261 69 5PX 0.72037 0.00000 0.87905 -0.16301 0.26797 70 5PY 1.19706 0.00000 -1.98620 0.95721 0.82437 71 5PZ 0.00000 0.29286 0.00000 0.00000 0.00000 72 6D 0 -0.00437 0.00000 0.00430 -0.00139 -0.00018 73 6D+1 0.00000 0.00210 0.00000 0.00000 0.00000 74 6D-1 0.00000 -0.01557 0.00000 0.00000 0.00000 75 6D+2 -0.00330 0.00000 0.00108 0.00712 -0.00294 76 6D-2 -0.00539 0.00000 0.00700 0.00187 0.00413 77 7D 0 -0.02409 0.00000 0.08286 -0.13824 -0.09577 78 7D+1 0.00000 -0.04016 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.01412 0.00000 0.00000 0.00000 80 7D+2 -0.02829 0.00000 0.14088 -0.00723 -0.01987 81 7D-2 -0.05724 0.00000 0.10692 0.00032 -0.06368 82 4 H 1S 0.01578 0.00000 0.04117 -0.04585 -0.00775 83 2S -1.23081 0.00000 -0.89966 -2.19278 0.09548 84 3S -2.01275 0.00000 -1.04827 -0.07634 -0.05050 85 4PX -0.11572 0.00000 -0.15007 -0.08114 0.00245 86 4PY 0.03109 0.00000 0.00785 0.05298 -0.02298 87 4PZ 0.00000 0.05778 0.00000 0.00000 0.00000 88 5 H 1S 0.05087 -0.02672 0.00328 0.00927 -0.00329 89 2S 0.53735 -1.21127 -0.49659 0.53194 -1.43299 90 3S -1.87280 -0.59952 -0.68020 0.32645 -0.21024 91 4PX -0.00587 -0.01620 -0.02714 0.02737 -0.00001 92 4PY 0.00189 0.00527 0.03388 -0.00531 0.06226 93 4PZ 0.03146 0.09375 0.04689 -0.01265 0.12407 94 6 O 1S 0.00305 0.00000 0.00229 -0.00061 -0.00493 95 2S 0.00511 0.00000 0.00407 -0.00036 -0.00819 96 2PX -0.02473 0.00000 0.03411 0.05527 0.04958 97 2PY 0.01507 0.00000 0.01441 -0.01375 -0.04237 98 2PZ 0.00000 -0.00608 0.00000 0.00000 0.00000 99 3S -0.00821 0.00000 -0.01477 0.00590 0.03343 100 3PX -0.03834 0.00000 0.06552 0.16456 0.17733 101 3PY 0.05594 0.00000 0.03622 -0.03751 -0.10236 102 3PZ 0.00000 0.01866 0.00000 0.00000 0.00000 103 4S -0.24833 0.00000 -0.09797 -0.81746 0.18739 104 4PX -0.16455 0.00000 0.02156 0.17538 -0.54831 105 4PY 0.06451 0.00000 0.16716 0.17517 0.35223 106 4PZ 0.00000 -0.10452 0.00000 0.00000 0.00000 107 5S 2.98160 0.00000 -1.15631 -0.92257 -2.20254 108 5PX -0.32709 0.00000 0.23847 0.62013 1.35619 109 5PY -1.81749 0.00000 -0.35920 -0.64112 -0.11961 110 5PZ 0.00000 -0.33273 0.00000 0.00000 0.00000 111 6D 0 -0.00123 0.00000 0.00193 0.00289 0.00492 112 6D+1 0.00000 0.00046 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00275 0.00000 0.00000 0.00000 114 6D+2 -0.00774 0.00000 -0.00108 -0.00079 -0.01651 115 6D-2 -0.00567 0.00000 0.00547 0.01262 -0.00171 116 7D 0 -0.00833 0.00000 0.00901 0.02660 0.06506 117 7D+1 0.00000 -0.00049 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.05569 0.00000 0.00000 0.00000 119 7D+2 0.01530 0.00000 0.00613 0.04253 -0.02776 120 7D-2 -0.00569 0.00000 0.02398 0.07190 0.01753 121 7 H 1S 0.05720 0.00000 -0.02011 -0.08904 0.04014 122 2S 0.82542 0.00000 0.30325 -0.05923 0.38781 123 3S -4.09504 0.00000 0.00431 -0.52480 -0.18813 124 4PX 0.02866 0.00000 -0.08921 -0.20900 -0.00611 125 4PY 0.02344 0.00000 0.02291 0.04689 0.07459 126 4PZ 0.00000 -0.06547 0.00000 0.00000 0.00000 127 8 H 1S 0.05087 0.02672 0.00328 0.00927 -0.00329 128 2S 0.53735 1.21127 -0.49659 0.53194 -1.43299 129 3S -1.87280 0.59952 -0.68020 0.32645 -0.21024 130 4PX -0.00587 0.01620 -0.02714 0.02737 -0.00001 131 4PY 0.00189 -0.00527 0.03388 -0.00531 0.06226 132 4PZ -0.03146 0.09375 -0.04689 0.01265 -0.12407 56 57 58 59 60 V V V V V Eigenvalues -- 0.97786 0.97873 1.03672 1.03980 1.04938 1 1 C 1S 0.04114 0.00000 -0.00459 0.00000 0.00000 2 2S 0.08346 0.00000 -0.00575 0.00000 0.00000 3 2PX 0.02747 0.00000 0.06561 0.00000 0.00000 4 2PY -0.00444 0.00000 -0.01503 0.00000 0.00000 5 2PZ 0.00000 -0.01314 0.00000 -0.05471 -0.01242 6 3S -1.14201 0.00000 0.20757 0.00000 0.00000 7 3PX 0.46817 0.00000 0.02485 0.00000 0.00000 8 3PY -0.21675 0.00000 0.11562 0.00000 0.00000 9 3PZ 0.00000 0.25244 0.00000 -0.50517 -0.08205 10 4S 8.30805 0.00000 -3.48369 0.00000 0.00000 11 4PX 2.18188 0.00000 -2.34354 0.00000 0.00000 12 4PY -1.39464 0.00000 0.51380 0.00000 0.00000 13 4PZ 0.00000 -0.30322 0.00000 -1.76184 0.44269 14 5S 8.30097 0.00000 -10.36285 0.00000 0.00000 15 5PX -1.22598 0.00000 1.21617 0.00000 0.00000 16 5PY -1.66861 0.00000 2.40545 0.00000 0.00000 17 5PZ 0.00000 -0.27513 0.00000 -0.18010 0.66553 18 6D 0 -0.00735 0.00000 0.00714 0.00000 0.00000 19 6D+1 0.00000 -0.01443 0.00000 0.00227 0.00351 20 6D-1 0.00000 -0.00933 0.00000 -0.01296 0.00848 21 6D+2 0.01201 0.00000 0.01645 0.00000 0.00000 22 6D-2 -0.01405 0.00000 0.01223 0.00000 0.00000 23 7D 0 -0.56002 0.00000 0.38548 0.00000 0.00000 24 7D+1 0.00000 0.25427 0.00000 1.07556 -0.33832 25 7D-1 0.00000 1.46294 0.00000 -1.08383 0.22553 26 7D+2 0.61040 0.00000 -0.94050 0.00000 0.00000 27 7D-2 -0.59661 0.00000 0.05454 0.00000 0.00000 28 2 C 1S -0.02291 0.00000 -0.00161 0.00000 0.00000 29 2S -0.05788 0.00000 -0.01552 0.00000 0.00000 30 2PX -0.01458 0.00000 -0.01329 0.00000 0.00000 31 2PY -0.02966 0.00000 0.08249 0.00000 0.00000 32 2PZ 0.00000 0.02120 0.00000 0.00669 0.01615 33 3S 0.62823 0.00000 0.24034 0.00000 0.00000 34 3PX 0.16000 0.00000 0.22965 0.00000 0.00000 35 3PY -0.58580 0.00000 -0.59478 0.00000 0.00000 36 3PZ 0.00000 0.02941 0.00000 -0.10687 -0.03844 37 4S 1.31893 0.00000 5.12639 0.00000 0.00000 38 4PX 0.01723 0.00000 1.64972 0.00000 0.00000 39 4PY -2.78967 0.00000 -3.03908 0.00000 0.00000 40 4PZ 0.00000 0.77985 0.00000 0.19448 -0.24293 41 5S -5.96273 0.00000 10.56713 0.00000 0.00000 42 5PX -0.54196 0.00000 2.43933 0.00000 0.00000 43 5PY -1.62298 0.00000 1.87163 0.00000 0.00000 44 5PZ 0.00000 0.13934 0.00000 0.56099 -0.00956 45 6D 0 -0.01423 0.00000 -0.01694 0.00000 0.00000 46 6D+1 0.00000 -0.00031 0.00000 -0.00551 -0.00926 47 6D-1 0.00000 -0.00170 0.00000 0.00609 0.00544 48 6D+2 -0.01826 0.00000 -0.03395 0.00000 0.00000 49 6D-2 -0.02083 0.00000 -0.03227 0.00000 0.00000 50 7D 0 -0.37712 0.00000 -0.21765 0.00000 0.00000 51 7D+1 0.00000 0.76207 0.00000 -0.15887 -0.03270 52 7D-1 0.00000 0.84225 0.00000 0.91425 -0.01358 53 7D+2 -0.42776 0.00000 -1.33197 0.00000 0.00000 54 7D-2 -0.71080 0.00000 0.02054 0.00000 0.00000 55 3 O 1S 0.01708 0.00000 0.00034 0.00000 0.00000 56 2S 0.02772 0.00000 -0.00385 0.00000 0.00000 57 2PX -0.02518 0.00000 -0.14516 0.00000 0.00000 58 2PY 0.05401 0.00000 0.10956 0.00000 0.00000 59 2PZ 0.00000 -0.04809 0.00000 -0.09138 -0.11182 60 3S -0.02173 0.00000 0.18520 0.00000 0.00000 61 3PX -0.05923 0.00000 -0.44860 0.00000 0.00000 62 3PY 0.16272 0.00000 0.25321 0.00000 0.00000 63 3PZ 0.00000 -0.13512 0.00000 -0.35601 -0.37767 64 4S -2.61742 0.00000 -3.33656 0.00000 0.00000 65 4PX 0.60877 0.00000 2.30112 0.00000 0.00000 66 4PY -2.14560 0.00000 -2.39843 0.00000 0.00000 67 4PZ 0.00000 0.47907 0.00000 1.47380 0.84992 68 5S -2.17553 0.00000 -5.19915 0.00000 0.00000 69 5PX 0.18556 0.00000 -1.23129 0.00000 0.00000 70 5PY 0.11707 0.00000 -1.27348 0.00000 0.00000 71 5PZ 0.00000 -0.33352 0.00000 -0.95477 -0.41556 72 6D 0 -0.01256 0.00000 -0.01072 0.00000 0.00000 73 6D+1 0.00000 0.01017 0.00000 0.00715 0.00078 74 6D-1 0.00000 -0.00479 0.00000 -0.02157 -0.00543 75 6D+2 -0.01905 0.00000 -0.00839 0.00000 0.00000 76 6D-2 -0.00907 0.00000 -0.02995 0.00000 0.00000 77 7D 0 0.00107 0.00000 0.03910 0.00000 0.00000 78 7D+1 0.00000 0.11113 0.00000 0.10295 -0.00420 79 7D-1 0.00000 0.04491 0.00000 -0.01376 -0.02749 80 7D+2 0.06303 0.00000 0.10734 0.00000 0.00000 81 7D-2 0.05392 0.00000 0.12674 0.00000 0.00000 82 4 H 1S -0.03381 0.00000 0.00947 0.00000 0.00000 83 2S -0.18213 0.00000 0.91301 0.00000 0.00000 84 3S 0.74041 0.00000 -0.03691 0.00000 0.00000 85 4PX 0.05361 0.00000 0.06773 0.00000 0.00000 86 4PY -0.00333 0.00000 -0.04502 0.00000 0.00000 87 4PZ 0.00000 -0.03776 0.00000 0.12054 -0.00241 88 5 H 1S 0.01203 0.00280 -0.01055 -0.03304 0.02368 89 2S -0.18958 -1.02106 -0.05588 1.87803 -0.24373 90 3S -0.95281 0.43876 0.27505 -0.29762 -0.35140 91 4PX -0.00583 -0.01219 -0.02596 0.04555 0.02879 92 4PY 0.01886 0.06708 -0.01470 -0.04294 0.01887 93 4PZ 0.02496 0.05677 0.01594 -0.11343 -0.00927 94 6 O 1S 0.02130 0.00000 -0.00962 0.00000 0.00000 95 2S 0.03340 0.00000 -0.01662 0.00000 0.00000 96 2PX -0.07484 0.00000 0.05144 0.00000 0.00000 97 2PY 0.02922 0.00000 -0.08402 0.00000 0.00000 98 2PZ 0.00000 0.03759 0.00000 0.01749 -0.22006 99 3S -0.00834 0.00000 0.06559 0.00000 0.00000 100 3PX -0.30274 0.00000 0.13520 0.00000 0.00000 101 3PY 0.08284 0.00000 -0.24013 0.00000 0.00000 102 3PZ 0.00000 0.08762 0.00000 0.08903 -0.72534 103 4S -2.47909 0.00000 1.10087 0.00000 0.00000 104 4PX 2.82839 0.00000 -1.51883 0.00000 0.00000 105 4PY -0.64688 0.00000 1.65910 0.00000 0.00000 106 4PZ 0.00000 -0.03328 0.00000 -0.59223 1.63258 107 5S -5.81414 0.00000 3.51034 0.00000 0.00000 108 5PX 0.83061 0.00000 -0.82684 0.00000 0.00000 109 5PY 0.95096 0.00000 -0.68785 0.00000 0.00000 110 5PZ 0.00000 0.14594 0.00000 0.58828 -1.12615 111 6D 0 -0.01257 0.00000 0.00064 0.00000 0.00000 112 6D+1 0.00000 0.00182 0.00000 -0.01384 0.01119 113 6D-1 0.00000 0.00855 0.00000 -0.00267 0.00015 114 6D+2 0.02496 0.00000 -0.01525 0.00000 0.00000 115 6D-2 -0.00355 0.00000 0.01527 0.00000 0.00000 116 7D 0 0.06821 0.00000 0.00867 0.00000 0.00000 117 7D+1 0.00000 0.05533 0.00000 -0.06552 0.05387 118 7D-1 0.00000 0.17883 0.00000 -0.07365 -0.07586 119 7D+2 -0.10714 0.00000 0.14633 0.00000 0.00000 120 7D-2 0.05199 0.00000 -0.04138 0.00000 0.00000 121 7 H 1S -0.03714 0.00000 -0.00775 0.00000 0.00000 122 2S -0.01638 0.00000 0.73843 0.00000 0.00000 123 3S 1.69193 0.00000 0.03111 0.00000 0.00000 124 4PX -0.02715 0.00000 -0.08906 0.00000 0.00000 125 4PY -0.03483 0.00000 0.13214 0.00000 0.00000 126 4PZ 0.00000 -0.14521 0.00000 0.10511 0.11481 127 8 H 1S 0.01203 -0.00280 -0.01055 0.03304 -0.02368 128 2S -0.18958 1.02106 -0.05588 -1.87803 0.24373 129 3S -0.95281 -0.43876 0.27505 0.29762 0.35140 130 4PX -0.00583 0.01219 -0.02596 -0.04555 -0.02879 131 4PY 0.01886 -0.06708 -0.01470 0.04294 -0.01887 132 4PZ -0.02496 0.05677 -0.01594 -0.11343 -0.00927 61 62 63 64 65 V V V V V Eigenvalues -- 1.07248 1.08528 1.11319 1.11785 1.19922 1 1 C 1S -0.03673 0.01670 0.00191 0.00000 -0.01449 2 2S -0.07877 0.04407 0.00459 0.00000 -0.02290 3 2PX 0.01432 0.03766 0.03051 0.00000 0.07090 4 2PY -0.00621 -0.01707 0.05128 0.00000 -0.07059 5 2PZ 0.00000 0.00000 0.00000 0.03811 0.00000 6 3S 1.03090 -0.56910 0.30932 0.00000 -0.03843 7 3PX -0.30259 0.51490 0.32512 0.00000 -0.23973 8 3PY -0.16106 -0.07485 0.39596 0.00000 -0.55628 9 3PZ 0.00000 0.00000 0.00000 0.22401 0.00000 10 4S -5.40656 0.92269 -6.89377 0.00000 3.92995 11 4PX -1.12758 1.09893 -0.08409 0.00000 0.42413 12 4PY 0.82110 -0.39776 3.26114 0.00000 -1.83992 13 4PZ 0.00000 0.00000 0.00000 1.49283 0.00000 14 5S -2.18016 -6.14706 0.92306 0.00000 -3.79585 15 5PX -0.28204 1.91542 -1.16988 0.00000 0.24380 16 5PY 0.95453 1.76478 -0.43953 0.00000 0.72264 17 5PZ 0.00000 0.00000 0.00000 -0.68389 0.00000 18 6D 0 0.00046 0.00550 0.00306 0.00000 0.00935 19 6D+1 0.00000 0.00000 0.00000 -0.00710 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00758 0.00000 21 6D+2 -0.01822 0.01190 0.00634 0.00000 -0.01204 22 6D-2 0.00210 0.00692 -0.00568 0.00000 0.01601 23 7D 0 -0.00817 -0.65299 0.33790 0.00000 -0.72669 24 7D+1 0.00000 0.00000 0.00000 -0.57773 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.12303 0.00000 26 7D+2 0.16919 0.60867 0.93065 0.00000 0.62558 27 7D-2 0.33869 -0.18567 0.52142 0.00000 -0.28292 28 2 C 1S 0.00692 0.01791 0.01602 0.00000 -0.01965 29 2S 0.00822 0.04894 0.04087 0.00000 -0.04056 30 2PX -0.02462 0.05390 0.06199 0.00000 0.01296 31 2PY -0.05135 -0.03045 -0.02089 0.00000 -0.15410 32 2PZ 0.00000 0.00000 0.00000 -0.00216 0.00000 33 3S -0.26239 -0.64161 -0.94416 0.00000 0.40201 34 3PX -0.02508 -0.10362 0.08937 0.00000 0.19247 35 3PY -0.48901 0.01586 -0.39188 0.00000 -0.17500 36 3PZ 0.00000 0.00000 0.00000 -0.06922 0.00000 37 4S 6.29296 -0.18873 9.79414 0.00000 -1.57138 38 4PX 2.17768 0.57938 4.03515 0.00000 -1.15060 39 4PY -2.02518 1.03880 -0.53200 0.00000 -2.92867 40 4PZ 0.00000 0.00000 0.00000 -0.79250 0.00000 41 5S 1.85103 6.33462 -0.36329 0.00000 3.91726 42 5PX 0.41883 0.60601 0.64371 0.00000 0.91665 43 5PY -1.03846 1.90680 -0.79336 0.00000 1.14062 44 5PZ 0.00000 0.00000 0.00000 0.77913 0.00000 45 6D 0 -0.01225 0.01657 0.00531 0.00000 0.01841 46 6D+1 0.00000 0.00000 0.00000 0.00366 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.00031 0.00000 48 6D+2 -0.00595 0.01632 -0.01067 0.00000 0.00407 49 6D-2 -0.01511 0.00667 -0.01712 0.00000 0.02144 50 7D 0 -0.66288 -0.04109 -1.18545 0.00000 0.36034 51 7D+1 0.00000 0.00000 0.00000 -0.31013 0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.54009 0.00000 53 7D+2 0.44355 -0.08805 0.05828 0.00000 -0.57606 54 7D-2 -1.03592 0.61708 0.35592 0.00000 -1.03649 55 3 O 1S 0.02112 0.01012 0.03065 0.00000 0.00932 56 2S 0.03515 0.02102 0.05447 0.00000 0.01843 57 2PX 0.09890 -0.00578 -0.05546 0.00000 -0.02407 58 2PY 0.08106 -0.08539 -0.02175 0.00000 -0.13000 59 2PZ 0.00000 0.00000 0.00000 -0.19994 0.00000 60 3S -0.06920 -0.18799 -0.22000 0.00000 -0.12338 61 3PX 0.36803 0.01458 -0.15695 0.00000 -0.10856 62 3PY 0.27562 -0.24074 -0.05055 0.00000 -0.44103 63 3PZ 0.00000 0.00000 0.00000 -0.63880 0.00000 64 4S -2.79698 0.93884 -2.46130 0.00000 -1.32181 65 4PX -1.02864 -0.04728 0.71898 0.00000 0.51619 66 4PY -2.68275 1.04464 -1.56678 0.00000 0.22308 67 4PZ 0.00000 0.00000 0.00000 1.25345 0.00000 68 5S -3.96573 0.23097 -4.22287 0.00000 -1.18354 69 5PX 1.03596 -0.37425 -0.36367 0.00000 -0.13851 70 5PY -0.06419 -0.67716 -0.96784 0.00000 -0.71715 71 5PZ 0.00000 0.00000 0.00000 -0.86298 0.00000 72 6D 0 -0.01144 0.00371 -0.01025 0.00000 0.00428 73 6D+1 0.00000 0.00000 0.00000 -0.00174 0.00000 74 6D-1 0.00000 0.00000 0.00000 -0.00206 0.00000 75 6D+2 -0.02437 0.01374 -0.00157 0.00000 -0.00449 76 6D-2 0.01178 0.00324 -0.00359 0.00000 -0.00182 77 7D 0 0.07420 -0.02059 0.00023 0.00000 0.11807 78 7D+1 0.00000 0.00000 0.00000 -0.13089 0.00000 79 7D-1 0.00000 0.00000 0.00000 -0.06171 0.00000 80 7D+2 0.05789 0.02267 0.11829 0.00000 -0.09776 81 7D-2 0.05603 0.01008 0.07354 0.00000 -0.11612 82 4 H 1S 0.04433 -0.00653 -0.00233 0.00000 -0.04164 83 2S -1.16247 0.63490 -0.50082 0.00000 0.57777 84 3S 1.34987 -0.42852 1.08341 0.00000 -0.36961 85 4PX -0.09209 -0.01737 -0.08752 0.00000 0.05852 86 4PY 0.01682 -0.03219 0.00728 0.00000 0.07834 87 4PZ 0.00000 0.00000 0.00000 -0.13666 0.00000 88 5 H 1S -0.00023 -0.03334 0.00130 0.00495 -0.02659 89 2S 0.66504 0.42295 0.51728 -0.85437 0.46675 90 3S 0.45475 0.03437 -0.57038 0.03902 0.19436 91 4PX 0.01596 -0.00699 -0.00956 -0.06976 0.07066 92 4PY -0.05181 -0.08079 -0.05229 -0.04798 0.00487 93 4PZ -0.04400 0.02996 0.01287 0.07667 -0.02041 94 6 O 1S 0.00163 0.00614 -0.01884 0.00000 0.00812 95 2S 0.00478 0.00746 -0.03204 0.00000 0.01488 96 2PX 0.04836 -0.05145 0.04487 0.00000 0.13656 97 2PY -0.07119 -0.18612 0.04448 0.00000 -0.01172 98 2PZ 0.00000 0.00000 0.00000 0.10996 0.00000 99 3S -0.04843 0.14496 0.07707 0.00000 -0.04326 100 3PX 0.15898 -0.16203 0.21431 0.00000 0.51725 101 3PY -0.24733 -0.49629 0.20613 0.00000 -0.06056 102 3PZ 0.00000 0.00000 0.00000 0.34352 0.00000 103 4S 0.47141 -2.34489 1.30548 0.00000 -1.59008 104 4PX -1.12407 1.50803 -1.06414 0.00000 -0.17333 105 4PY 1.28633 1.67312 -1.80857 0.00000 -0.02321 106 4PZ 0.00000 0.00000 0.00000 -0.63155 0.00000 107 5S 3.57682 0.80633 1.39316 0.00000 -0.49363 108 5PX -0.53173 -0.51480 -0.25132 0.00000 0.51518 109 5PY -0.82628 -1.93403 1.07302 0.00000 0.28824 110 5PZ 0.00000 0.00000 0.00000 0.41944 0.00000 111 6D 0 -0.00271 -0.01655 0.00897 0.00000 -0.00060 112 6D+1 0.00000 0.00000 0.00000 0.00150 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00097 0.00000 114 6D+2 -0.01923 -0.00413 0.00274 0.00000 -0.00098 115 6D-2 0.00313 -0.00049 -0.01817 0.00000 -0.00190 116 7D 0 -0.05403 0.01361 -0.07549 0.00000 0.10137 117 7D+1 0.00000 0.00000 0.00000 0.01971 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.11320 0.00000 119 7D+2 0.10117 0.06757 -0.05161 0.00000 -0.03913 120 7D-2 0.05407 0.05553 -0.05096 0.00000 -0.00099 121 7 H 1S 0.07331 -0.02863 -0.07265 0.00000 0.02019 122 2S 0.64999 1.23275 -1.34682 0.00000 0.02873 123 3S -1.21301 -1.62273 1.19236 0.00000 0.67018 124 4PX 0.03734 -0.10810 -0.00874 0.00000 0.01478 125 4PY 0.19124 0.29722 -0.14576 0.00000 0.00583 126 4PZ 0.00000 0.00000 0.00000 -0.14880 0.00000 127 8 H 1S -0.00023 -0.03334 0.00130 -0.00495 -0.02659 128 2S 0.66504 0.42295 0.51728 0.85437 0.46675 129 3S 0.45475 0.03437 -0.57038 -0.03902 0.19436 130 4PX 0.01596 -0.00699 -0.00956 0.06976 0.07066 131 4PY -0.05181 -0.08079 -0.05229 0.04798 0.00487 132 4PZ 0.04400 -0.02996 -0.01287 0.07667 0.02041 66 67 68 69 70 V V V V V Eigenvalues -- 1.25788 1.33657 1.33764 1.39733 1.47221 1 1 C 1S -0.02153 0.00000 0.01507 0.01754 0.00227 2 2S -0.05769 0.00000 0.03302 0.04592 0.00839 3 2PX 0.06250 0.00000 0.09993 0.15085 -0.02468 4 2PY 0.11865 0.00000 0.02869 0.00353 -0.03045 5 2PZ 0.00000 0.08886 0.00000 0.00000 0.00000 6 3S 0.96722 0.00000 -0.17948 -0.59392 -0.18431 7 3PX 0.11410 0.00000 0.49778 0.22285 -0.14255 8 3PY 0.27135 0.00000 0.51766 0.28089 -0.02159 9 3PZ 0.00000 0.19826 0.00000 0.00000 0.00000 10 4S -5.76043 0.00000 -3.96308 -0.67259 1.34244 11 4PX 2.36461 0.00000 1.08452 4.17868 0.04121 12 4PY 4.18173 0.00000 0.88044 0.21789 -0.72282 13 4PZ 0.00000 1.55931 0.00000 0.00000 0.00000 14 5S -0.54307 0.00000 -1.95510 3.81319 0.36954 15 5PX 0.56980 0.00000 0.21223 -1.08739 0.21737 16 5PY -0.21290 0.00000 0.30206 -0.54557 0.02456 17 5PZ 0.00000 -0.53386 0.00000 0.00000 0.00000 18 6D 0 0.01654 0.00000 -0.00100 -0.01925 0.01030 19 6D+1 0.00000 -0.01146 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.04270 0.00000 0.00000 0.00000 21 6D+2 -0.00313 0.00000 0.01106 -0.02246 -0.01821 22 6D-2 0.01911 0.00000 0.00149 0.00285 0.01711 23 7D 0 1.40215 0.00000 0.30023 -0.65161 -0.20054 24 7D+1 0.00000 -0.23202 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.88502 0.00000 0.00000 0.00000 26 7D+2 0.50020 0.00000 -0.63142 1.11494 0.09067 27 7D-2 -1.69431 0.00000 -0.67462 -1.20660 0.10637 28 2 C 1S -0.04166 0.00000 -0.01173 -0.00487 0.00071 29 2S -0.08891 0.00000 -0.01289 -0.01703 0.00431 30 2PX 0.08610 0.00000 0.09106 -0.01223 -0.00008 31 2PY 0.03734 0.00000 -0.03220 0.17230 0.00934 32 2PZ 0.00000 0.04333 0.00000 0.00000 0.00000 33 3S 0.52630 0.00000 -0.34612 0.43688 0.10423 34 3PX 0.57497 0.00000 0.50834 0.22319 -0.18297 35 3PY 0.98773 0.00000 -0.12783 0.49304 0.36427 36 3PZ 0.00000 0.05036 0.00000 0.00000 0.00000 37 4S 6.19957 0.00000 5.17171 -1.55358 -3.90724 38 4PX 1.81966 0.00000 2.28007 0.25219 -1.09902 39 4PY 2.34715 0.00000 0.45757 4.70753 1.47885 40 4PZ 0.00000 -0.35428 0.00000 0.00000 0.00000 41 5S 0.32784 0.00000 1.93704 -4.22865 1.14352 42 5PX -0.06949 0.00000 0.02118 -0.67356 0.32993 43 5PY 0.41043 0.00000 0.34277 -1.11085 -0.49128 44 5PZ 0.00000 0.30238 0.00000 0.00000 0.00000 45 6D 0 0.01244 0.00000 0.02895 -0.01187 0.03934 46 6D+1 0.00000 -0.02340 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.00774 0.00000 0.00000 0.00000 48 6D+2 0.01810 0.00000 -0.01234 -0.01967 0.01107 49 6D-2 0.00361 0.00000 0.01949 -0.00945 0.04401 50 7D 0 -0.69980 0.00000 -0.65704 0.56198 0.53138 51 7D+1 0.00000 0.01405 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.07374 0.00000 0.00000 0.00000 53 7D+2 0.29424 0.00000 -1.97224 0.44857 0.49263 54 7D-2 0.48620 0.00000 0.62478 1.34911 0.38274 55 3 O 1S 0.01305 0.00000 0.01045 -0.01708 0.08604 56 2S 0.02494 0.00000 0.02137 -0.03268 0.17548 57 2PX -0.03211 0.00000 0.17034 0.02308 0.00961 58 2PY -0.05171 0.00000 -0.01153 0.10545 0.05859 59 2PZ 0.00000 -0.02593 0.00000 0.00000 0.00000 60 3S -0.18654 0.00000 -0.14733 0.19180 -1.48773 61 3PX -0.10804 0.00000 0.54633 0.09466 -0.04443 62 3PY -0.08514 0.00000 -0.13586 0.41668 0.24673 63 3PZ 0.00000 -0.08650 0.00000 0.00000 0.00000 64 4S 0.19830 0.00000 -2.18265 3.01286 5.05206 65 4PX 0.04902 0.00000 -0.01648 -0.68552 -0.32932 66 4PY 0.32764 0.00000 -0.74214 0.61098 0.91967 67 4PZ 0.00000 0.21341 0.00000 0.00000 0.00000 68 5S 0.25158 0.00000 -0.94219 3.27434 -1.06117 69 5PX -0.23720 0.00000 0.01004 -0.11940 -0.13088 70 5PY -0.21072 0.00000 -0.35030 1.29761 0.33236 71 5PZ 0.00000 -0.19601 0.00000 0.00000 0.00000 72 6D 0 -0.00094 0.00000 -0.00136 0.00069 0.00910 73 6D+1 0.00000 -0.00085 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00067 0.00000 0.00000 0.00000 75 6D+2 0.00202 0.00000 0.01039 0.00393 0.01158 76 6D-2 0.00706 0.00000 -0.01761 0.00026 0.00465 77 7D 0 -0.01732 0.00000 -0.09174 -0.05083 0.13404 78 7D+1 0.00000 0.07363 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.04365 0.00000 0.00000 0.00000 80 7D+2 -0.04931 0.00000 0.10243 -0.05362 0.10552 81 7D-2 -0.01753 0.00000 -0.03211 0.06814 -0.05354 82 4 H 1S 0.03271 0.00000 -0.15653 -0.06430 -0.05561 83 2S -0.80452 0.00000 1.77252 0.52588 0.23295 84 3S 0.28803 0.00000 -0.58847 -0.23320 -0.30188 85 4PX 0.02550 0.00000 0.07445 -0.03529 -0.07746 86 4PY 0.06584 0.00000 0.13943 -0.25855 0.19697 87 4PZ 0.00000 0.00637 0.00000 0.00000 0.00000 88 5 H 1S 0.07343 0.06709 0.00654 -0.04680 -0.01321 89 2S -0.90199 -1.44303 -0.01526 0.56277 0.11589 90 3S 0.34686 0.36668 0.45622 -0.04477 0.00788 91 4PX 0.07057 0.08446 0.03219 -0.09137 -0.00771 92 4PY -0.01531 0.03747 0.05813 0.05770 0.02306 93 4PZ 0.03352 -0.01660 0.02573 -0.04781 -0.00541 94 6 O 1S 0.00280 0.00000 -0.00522 -0.00563 0.05054 95 2S 0.00563 0.00000 -0.01150 -0.01478 0.10293 96 2PX -0.01810 0.00000 0.04222 0.12274 -0.01070 97 2PY -0.03162 0.00000 0.04292 0.00161 -0.02146 98 2PZ 0.00000 0.06276 0.00000 0.00000 0.00000 99 3S -0.02233 0.00000 0.10456 0.26439 -0.85641 100 3PX -0.03551 0.00000 0.08476 0.46711 0.02314 101 3PY -0.10365 0.00000 0.07869 0.01301 -0.08130 102 3PZ 0.00000 0.25530 0.00000 0.00000 0.00000 103 4S -0.21741 0.00000 0.07282 -3.30954 1.51292 104 4PX 0.15040 0.00000 -0.30612 0.58769 -0.01319 105 4PY 0.84285 0.00000 0.36123 -0.11855 -0.21134 106 4PZ 0.00000 -0.88090 0.00000 0.00000 0.00000 107 5S 0.62132 0.00000 0.29360 -1.01616 -2.52305 108 5PX -0.06760 0.00000 0.13351 1.01047 0.39541 109 5PY -1.38181 0.00000 -0.13914 -0.25064 0.43729 110 5PZ 0.00000 0.19482 0.00000 0.00000 0.00000 111 6D 0 -0.00022 0.00000 -0.00173 -0.00572 0.00849 112 6D+1 0.00000 0.00284 0.00000 0.00000 0.00000 113 6D-1 0.00000 -0.01572 0.00000 0.00000 0.00000 114 6D+2 0.00145 0.00000 0.00310 0.00399 0.00069 115 6D-2 0.00721 0.00000 0.01268 -0.00561 0.00229 116 7D 0 0.07265 0.00000 0.02100 0.11451 0.26696 117 7D+1 0.00000 -0.06502 0.00000 0.00000 0.00000 118 7D-1 0.00000 -0.43115 0.00000 0.00000 0.00000 119 7D+2 0.12680 0.00000 0.02010 -0.05114 -0.05986 120 7D-2 -0.00095 0.00000 0.08388 -0.01904 -0.04999 121 7 H 1S 0.00052 0.00000 0.05243 0.00380 -0.07433 122 2S 1.09870 0.00000 0.14231 0.42585 -0.20009 123 3S -1.81125 0.00000 0.05113 -0.52420 0.86963 124 4PX -0.03909 0.00000 -0.05471 0.10034 -0.08906 125 4PY 0.03818 0.00000 -0.01040 0.08941 -0.13929 126 4PZ 0.00000 0.61388 0.00000 0.00000 0.00000 127 8 H 1S 0.07343 -0.06709 0.00654 -0.04680 -0.01321 128 2S -0.90199 1.44303 -0.01526 0.56277 0.11589 129 3S 0.34686 -0.36668 0.45622 -0.04477 0.00788 130 4PX 0.07057 -0.08446 0.03219 -0.09137 -0.00771 131 4PY -0.01531 -0.03747 0.05813 0.05770 0.02306 132 4PZ -0.03352 -0.01660 -0.02573 0.04781 0.00541 71 72 73 74 75 V V V V V Eigenvalues -- 1.50713 1.51831 1.52649 1.59944 1.63106 1 1 C 1S 0.00000 0.00000 0.00030 0.00308 -0.02124 2 2S 0.00000 0.00000 -0.00456 0.00211 -0.04278 3 2PX 0.00000 0.00000 0.08751 0.00001 0.01226 4 2PY 0.00000 0.00000 0.07276 -0.06709 -0.05692 5 2PZ 0.05762 0.02258 0.00000 0.00000 0.00000 6 3S 0.00000 0.00000 0.33162 0.15744 0.41075 7 3PX 0.00000 0.00000 0.07442 -0.05420 -0.16896 8 3PY 0.00000 0.00000 0.28708 0.31870 -0.36721 9 3PZ 0.00498 -0.05418 0.00000 0.00000 0.00000 10 4S 0.00000 0.00000 -4.86494 -3.42906 0.81669 11 4PX 0.00000 0.00000 0.39754 0.36788 -0.77522 12 4PY 0.00000 0.00000 2.23245 0.42559 0.49444 13 4PZ 0.35228 1.20135 0.00000 0.00000 0.00000 14 5S 0.00000 0.00000 7.64812 2.55594 2.86667 15 5PX 0.00000 0.00000 -0.47178 -0.15415 -0.13498 16 5PY 0.00000 0.00000 -2.13440 -0.63533 -0.75464 17 5PZ -0.04256 -0.05095 0.00000 0.00000 0.00000 18 6D 0 0.00000 0.00000 0.01092 -0.02093 0.02526 19 6D+1 -0.01736 0.01913 0.00000 0.00000 0.00000 20 6D-1 0.02223 0.00719 0.00000 0.00000 0.00000 21 6D+2 0.00000 0.00000 -0.00300 -0.00860 0.04981 22 6D-2 0.00000 0.00000 0.00779 0.00451 0.01498 23 7D 0 0.00000 0.00000 0.34832 0.33799 -0.04750 24 7D+1 -0.14569 -0.17674 0.00000 0.00000 0.00000 25 7D-1 -0.10156 0.17356 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.15025 -0.43594 0.35299 27 7D-2 0.00000 0.00000 0.17864 -0.30415 0.42440 28 2 C 1S 0.00000 0.00000 0.00042 0.01151 -0.00466 29 2S 0.00000 0.00000 0.00594 0.02186 -0.01355 30 2PX 0.00000 0.00000 0.05757 -0.05577 0.02896 31 2PY 0.00000 0.00000 0.05310 -0.00666 -0.08118 32 2PZ -0.03370 -0.00979 0.00000 0.00000 0.00000 33 3S 0.00000 0.00000 -0.37311 -0.43582 0.24700 34 3PX 0.00000 0.00000 0.06856 0.17535 -0.19414 35 3PY 0.00000 0.00000 -0.12772 -0.26214 0.06802 36 3PZ -0.03489 0.00253 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 5.18937 4.99523 -1.72308 38 4PX 0.00000 0.00000 2.38010 2.00133 0.21799 39 4PY 0.00000 0.00000 0.79486 -0.59693 -0.77155 40 4PZ -0.49635 -0.47885 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 -7.20528 -2.58765 -2.41735 42 5PX 0.00000 0.00000 -1.39617 -0.39169 -0.55803 43 5PY 0.00000 0.00000 -0.78046 -0.38062 -0.26896 44 5PZ 0.04043 0.10169 0.00000 0.00000 0.00000 45 6D 0 0.00000 0.00000 -0.01243 -0.04932 0.02378 46 6D+1 -0.02036 -0.02052 0.00000 0.00000 0.00000 47 6D-1 -0.03036 -0.01376 0.00000 0.00000 0.00000 48 6D+2 0.00000 0.00000 -0.01998 0.03224 -0.04107 49 6D-2 0.00000 0.00000 -0.01557 -0.00509 -0.01587 50 7D 0 0.00000 0.00000 -0.65075 -0.62350 0.61265 51 7D+1 -0.04994 -0.09786 0.00000 0.00000 0.00000 52 7D-1 -0.36979 -0.19472 0.00000 0.00000 0.00000 53 7D+2 0.00000 0.00000 -0.12912 -0.67500 0.24375 54 7D-2 0.00000 0.00000 0.22158 -0.04849 -0.27937 55 3 O 1S 0.00000 0.00000 -0.04169 -0.02057 -0.02285 56 2S 0.00000 0.00000 -0.08513 -0.04411 -0.04667 57 2PX 0.00000 0.00000 0.01155 -0.02045 0.02701 58 2PY 0.00000 0.00000 -0.00029 -0.03795 -0.01353 59 2PZ -0.02863 -0.01419 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.73540 0.44935 0.38417 61 3PX 0.00000 0.00000 0.03775 0.02746 0.03609 62 3PY 0.00000 0.00000 -0.06052 -0.15879 0.01745 63 3PZ -0.06816 -0.04663 0.00000 0.00000 0.00000 64 4S 0.00000 0.00000 -2.66127 -3.20709 -0.36521 65 4PX 0.00000 0.00000 0.11333 0.41541 -0.36202 66 4PY 0.00000 0.00000 -0.62472 -0.90500 0.18524 67 4PZ 0.01218 0.09215 0.00000 0.00000 0.00000 68 5S 0.00000 0.00000 1.00287 -0.35921 0.94040 69 5PX 0.00000 0.00000 -0.37241 0.00154 0.29385 70 5PY 0.00000 0.00000 -0.02095 -0.32459 0.25218 71 5PZ 0.11871 -0.02500 0.00000 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.00193 -0.00982 -0.00507 73 6D+1 0.00257 -0.00088 0.00000 0.00000 0.00000 74 6D-1 0.00733 0.00184 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 -0.00415 0.00253 -0.00764 76 6D-2 0.00000 0.00000 -0.00570 -0.00100 0.00159 77 7D 0 0.00000 0.00000 0.24827 -0.21031 -0.66158 78 7D+1 0.67826 0.12683 0.00000 0.00000 0.00000 79 7D-1 0.36508 0.09858 0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00000 -0.21019 0.17953 0.10766 81 7D-2 0.00000 0.00000 -0.14452 0.06586 0.30989 82 4 H 1S 0.00000 0.00000 0.05424 0.03991 -0.01656 83 2S 0.00000 0.00000 -0.30925 0.02079 0.38759 84 3S 0.00000 0.00000 0.55948 0.75140 0.08524 85 4PX 0.00000 0.00000 -0.06086 0.16835 -0.18699 86 4PY 0.00000 0.00000 -0.24078 0.13032 -0.00904 87 4PZ 0.57213 0.16607 0.00000 0.00000 0.00000 88 5 H 1S 0.04551 -0.00198 0.03013 0.01657 -0.03297 89 2S -0.13390 -0.51487 0.27828 0.19663 0.09581 90 3S 0.09150 -0.20697 -0.32138 0.28258 -0.36778 91 4PX -0.03091 -0.39939 -0.15073 -0.18281 0.03426 92 4PY -0.18176 0.31652 -0.03723 0.19304 0.00492 93 4PZ 0.09663 -0.38093 0.01741 -0.06794 -0.01107 94 6 O 1S 0.00000 0.00000 0.08111 0.02611 0.02013 95 2S 0.00000 0.00000 0.16507 0.05372 0.04171 96 2PX 0.00000 0.00000 0.00863 -0.02785 0.01037 97 2PY 0.00000 0.00000 0.02557 -0.06538 -0.03826 98 2PZ 0.01346 -0.02627 0.00000 0.00000 0.00000 99 3S 0.00000 0.00000 -1.45267 -0.46771 -0.37769 100 3PX 0.00000 0.00000 -0.00549 -0.03605 0.00279 101 3PY 0.00000 0.00000 -0.09163 -0.16828 -0.03775 102 3PZ 0.00691 -0.00882 0.00000 0.00000 0.00000 103 4S 0.00000 0.00000 4.35149 1.42342 0.96673 104 4PX 0.00000 0.00000 -0.55077 -0.65232 0.04407 105 4PY 0.00000 0.00000 -1.07531 1.03151 -0.22572 106 4PZ 0.03016 -0.05803 0.00000 0.00000 0.00000 107 5S 0.00000 0.00000 -4.21898 -0.94619 -0.71681 108 5PX 0.00000 0.00000 0.24549 0.42690 0.17075 109 5PY 0.00000 0.00000 0.99243 -0.17344 0.02708 110 5PZ -0.13176 -0.03907 0.00000 0.00000 0.00000 111 6D 0 0.00000 0.00000 0.01192 0.00641 0.00549 112 6D+1 0.00317 -0.00614 0.00000 0.00000 0.00000 113 6D-1 0.00050 0.00492 0.00000 0.00000 0.00000 114 6D+2 0.00000 0.00000 0.00272 -0.00495 0.00375 115 6D-2 0.00000 0.00000 0.00578 -0.01111 0.00536 116 7D 0 0.00000 0.00000 -0.03844 0.33668 0.28476 117 7D+1 0.16357 -0.48197 0.00000 0.00000 0.00000 118 7D-1 0.07015 0.03444 0.00000 0.00000 0.00000 119 7D+2 0.00000 0.00000 -0.33117 -0.09343 0.25193 120 7D-2 0.00000 0.00000 0.20192 -0.40190 0.03604 121 7 H 1S 0.00000 0.00000 0.17023 -0.07135 -0.16097 122 2S 0.00000 0.00000 -2.07568 0.53121 0.40418 123 3S 0.00000 0.00000 2.70850 -0.34786 -0.60107 124 4PX 0.00000 0.00000 -0.15574 0.54886 -0.44199 125 4PY 0.00000 0.00000 -0.31205 0.02792 -0.12341 126 4PZ -0.02736 -0.04362 0.00000 0.00000 0.00000 127 8 H 1S -0.04551 0.00198 0.03013 0.01657 -0.03297 128 2S 0.13390 0.51487 0.27828 0.19663 0.09581 129 3S -0.09150 0.20697 -0.32138 0.28258 -0.36778 130 4PX 0.03091 0.39939 -0.15073 -0.18281 0.03426 131 4PY 0.18176 -0.31652 -0.03723 0.19304 0.00492 132 4PZ 0.09663 -0.38093 -0.01741 0.06794 0.01107 76 77 78 79 80 V V V V V Eigenvalues -- 1.69088 1.74228 1.86320 1.88251 1.97479 1 1 C 1S 0.00000 0.00632 0.00000 -0.01105 0.00000 2 2S 0.00000 0.01450 0.00000 -0.02842 0.00000 3 2PX 0.00000 -0.02278 0.00000 -0.10126 0.00000 4 2PY 0.00000 -0.02351 0.00000 -0.02276 0.00000 5 2PZ 0.08644 0.00000 -0.09827 0.00000 -0.17869 6 3S 0.00000 -0.11478 0.00000 0.28432 0.00000 7 3PX 0.00000 0.21727 0.00000 0.02987 0.00000 8 3PY 0.00000 0.11856 0.00000 0.07173 0.00000 9 3PZ -0.14093 0.00000 0.01882 0.00000 0.04272 10 4S 0.00000 -1.59189 0.00000 -0.49345 0.00000 11 4PX 0.00000 -0.53993 0.00000 -0.83366 0.00000 12 4PY 0.00000 -0.06370 0.00000 0.21533 0.00000 13 4PZ 1.41011 0.00000 -0.61668 0.00000 -0.79199 14 5S 0.00000 -0.27947 0.00000 0.12905 0.00000 15 5PX 0.00000 0.16089 0.00000 0.11002 0.00000 16 5PY 0.00000 0.25100 0.00000 -0.09201 0.00000 17 5PZ 0.03584 0.00000 -0.06304 0.00000 -0.44006 18 6D 0 0.00000 -0.02383 0.00000 -0.01104 0.00000 19 6D+1 -0.06344 0.00000 0.01115 0.00000 -0.03505 20 6D-1 0.01482 0.00000 -0.02592 0.00000 0.09448 21 6D+2 0.00000 -0.01508 0.00000 -0.03533 0.00000 22 6D-2 0.00000 0.01450 0.00000 0.07549 0.00000 23 7D 0 0.00000 0.03599 0.00000 0.10595 0.00000 24 7D+1 -0.31594 0.00000 0.09525 0.00000 0.29685 25 7D-1 -0.44401 0.00000 0.38451 0.00000 0.33164 26 7D+2 0.00000 -0.18384 0.00000 0.91912 0.00000 27 7D-2 0.00000 0.06836 0.00000 -0.51679 0.00000 28 2 C 1S 0.00000 0.01419 0.00000 0.01185 0.00000 29 2S 0.00000 0.03185 0.00000 0.01495 0.00000 30 2PX 0.00000 -0.01746 0.00000 -0.00084 0.00000 31 2PY 0.00000 -0.04195 0.00000 -0.02162 0.00000 32 2PZ -0.13760 0.00000 -0.18110 0.00000 0.23397 33 3S 0.00000 -0.46812 0.00000 0.04514 0.00000 34 3PX 0.00000 0.02916 0.00000 0.04794 0.00000 35 3PY 0.00000 -0.35470 0.00000 0.38866 0.00000 36 3PZ 0.01654 0.00000 -0.18259 0.00000 0.07077 37 4S 0.00000 2.14900 0.00000 -0.92289 0.00000 38 4PX 0.00000 0.99200 0.00000 0.60889 0.00000 39 4PY 0.00000 0.08714 0.00000 0.48232 0.00000 40 4PZ -0.66178 0.00000 -0.15517 0.00000 0.58548 41 5S 0.00000 0.44644 0.00000 -0.03453 0.00000 42 5PX 0.00000 0.09772 0.00000 0.00168 0.00000 43 5PY 0.00000 -0.12108 0.00000 0.06514 0.00000 44 5PZ 0.09993 0.00000 0.10718 0.00000 -0.00433 45 6D 0 0.00000 -0.02224 0.00000 -0.00776 0.00000 46 6D+1 -0.00833 0.00000 0.03565 0.00000 -0.02476 47 6D-1 0.05200 0.00000 -0.06144 0.00000 0.03481 48 6D+2 0.00000 0.00099 0.00000 -0.04563 0.00000 49 6D-2 0.00000 0.02126 0.00000 0.05814 0.00000 50 7D 0 0.00000 -0.47462 0.00000 0.28325 0.00000 51 7D+1 0.09359 0.00000 0.49292 0.00000 0.89977 52 7D-1 -0.45034 0.00000 0.80579 0.00000 -0.37874 53 7D+2 0.00000 -0.52480 0.00000 0.88407 0.00000 54 7D-2 0.00000 0.02162 0.00000 0.15403 0.00000 55 3 O 1S 0.00000 0.00027 0.00000 -0.00421 0.00000 56 2S 0.00000 0.00086 0.00000 -0.00944 0.00000 57 2PX 0.00000 0.00509 0.00000 -0.03167 0.00000 58 2PY 0.00000 -0.00817 0.00000 0.02410 0.00000 59 2PZ -0.00150 0.00000 -0.03597 0.00000 0.02744 60 3S 0.00000 0.00475 0.00000 0.07942 0.00000 61 3PX 0.00000 0.08508 0.00000 -0.12115 0.00000 62 3PY 0.00000 -0.07252 0.00000 0.12638 0.00000 63 3PZ -0.04085 0.00000 -0.06505 0.00000 0.05566 64 4S 0.00000 -1.13092 0.00000 1.06192 0.00000 65 4PX 0.00000 0.13827 0.00000 -0.35632 0.00000 66 4PY 0.00000 -0.51224 0.00000 0.29550 0.00000 67 4PZ -0.08959 0.00000 0.64312 0.00000 -0.72806 68 5S 0.00000 -0.62368 0.00000 0.13398 0.00000 69 5PX 0.00000 0.04526 0.00000 -0.30819 0.00000 70 5PY 0.00000 -0.18327 0.00000 0.08154 0.00000 71 5PZ 0.03949 0.00000 -0.05873 0.00000 0.09733 72 6D 0 0.00000 0.00393 0.00000 -0.00488 0.00000 73 6D+1 -0.00408 0.00000 -0.01118 0.00000 -0.00308 74 6D-1 0.00002 0.00000 0.00903 0.00000 -0.01208 75 6D+2 0.00000 -0.00610 0.00000 0.00461 0.00000 76 6D-2 0.00000 -0.00022 0.00000 0.00522 0.00000 77 7D 0 0.00000 0.33568 0.00000 -0.21993 0.00000 78 7D+1 -0.12876 0.00000 -0.75356 0.00000 -0.11726 79 7D-1 -0.22023 0.00000 0.64233 0.00000 -0.80142 80 7D+2 0.00000 -0.26430 0.00000 0.15824 0.00000 81 7D-2 0.00000 0.15072 0.00000 -0.21366 0.00000 82 4 H 1S 0.00000 -0.05437 0.00000 -0.02835 0.00000 83 2S 0.00000 0.17148 0.00000 -0.05321 0.00000 84 3S 0.00000 0.25840 0.00000 0.12840 0.00000 85 4PX 0.00000 0.04249 0.00000 -0.07003 0.00000 86 4PY 0.00000 -0.48241 0.00000 -0.02562 0.00000 87 4PZ 0.51620 0.00000 0.59723 0.00000 0.62583 88 5 H 1S 0.04597 -0.06147 -0.04674 -0.01417 0.35181 89 2S -0.23674 0.22387 0.00786 0.00855 -0.47251 90 3S -0.31675 0.00950 0.17012 -0.21312 0.96827 91 4PX 0.27117 0.32455 0.00271 0.67413 -0.21007 92 4PY 0.37317 0.17991 -0.08758 0.39641 -0.34969 93 4PZ -0.32341 -0.03769 0.11644 0.00439 -0.02214 94 6 O 1S 0.00000 -0.01736 0.00000 0.02502 0.00000 95 2S 0.00000 -0.03378 0.00000 0.05231 0.00000 96 2PX 0.00000 -0.02433 0.00000 -0.02430 0.00000 97 2PY 0.00000 -0.05294 0.00000 0.03855 0.00000 98 2PZ 0.05731 0.00000 -0.00727 0.00000 -0.00067 99 3S 0.00000 0.28202 0.00000 -0.47252 0.00000 100 3PX 0.00000 -0.05356 0.00000 0.07406 0.00000 101 3PY 0.00000 -0.09185 0.00000 -0.04560 0.00000 102 3PZ 0.10028 0.00000 -0.01327 0.00000 -0.00677 103 4S 0.00000 -0.50867 0.00000 0.88599 0.00000 104 4PX 0.00000 -0.19209 0.00000 0.15873 0.00000 105 4PY 0.00000 1.23776 0.00000 -0.42499 0.00000 106 4PZ -0.21494 0.00000 0.02420 0.00000 -0.05686 107 5S 0.00000 1.09902 0.00000 -1.28154 0.00000 108 5PX 0.00000 -0.00794 0.00000 -0.23347 0.00000 109 5PY 0.00000 -0.58321 0.00000 0.85229 0.00000 110 5PZ -0.21283 0.00000 0.09602 0.00000 0.19604 111 6D 0 0.00000 0.00485 0.00000 -0.00399 0.00000 112 6D+1 0.01138 0.00000 -0.00263 0.00000 -0.00545 113 6D-1 0.00056 0.00000 -0.00072 0.00000 0.00297 114 6D+2 0.00000 0.00221 0.00000 -0.00920 0.00000 115 6D-2 0.00000 0.00159 0.00000 -0.00141 0.00000 116 7D 0 0.00000 0.52727 0.00000 -0.21536 0.00000 117 7D+1 0.54944 0.00000 -0.18886 0.00000 -0.09354 118 7D-1 -0.13487 0.00000 0.18696 0.00000 0.04322 119 7D+2 0.00000 0.45809 0.00000 -0.42438 0.00000 120 7D-2 0.00000 0.11240 0.00000 -0.01391 0.00000 121 7 H 1S 0.00000 -0.25877 0.00000 0.29132 0.00000 122 2S 0.00000 1.94380 0.00000 -1.37540 0.00000 123 3S 0.00000 -1.55883 0.00000 2.07392 0.00000 124 4PX 0.00000 0.18762 0.00000 0.02552 0.00000 125 4PY 0.00000 0.03079 0.00000 0.00763 0.00000 126 4PZ -0.22879 0.00000 0.23310 0.00000 0.07108 127 8 H 1S -0.04597 -0.06147 0.04674 -0.01417 -0.35181 128 2S 0.23674 0.22387 -0.00786 0.00855 0.47251 129 3S 0.31675 0.00950 -0.17012 -0.21312 -0.96827 130 4PX -0.27117 0.32455 -0.00271 0.67413 0.21007 131 4PY -0.37317 0.17991 0.08758 0.39641 0.34969 132 4PZ -0.32341 0.03769 0.11644 -0.00439 -0.02214 81 82 83 84 85 V V V V V Eigenvalues -- 2.02238 2.03751 2.12218 2.18155 2.25688 1 1 C 1S -0.00034 0.00000 0.00851 0.00124 0.01777 2 2S -0.00104 0.00000 0.01726 0.00048 0.03474 3 2PX -0.14995 0.00000 -0.06414 -0.20890 0.00720 4 2PY 0.23245 0.00000 0.19223 0.16894 -0.06944 5 2PZ 0.00000 0.23845 0.00000 0.00000 0.00000 6 3S -0.09592 0.00000 0.02712 0.16112 0.00197 7 3PX -0.22892 0.00000 -0.28670 -0.79969 -0.73463 8 3PY -0.04182 0.00000 -0.20179 0.62317 -0.06776 9 3PZ 0.00000 0.14405 0.00000 0.00000 0.00000 10 4S 1.08175 0.00000 -1.35497 -3.44042 -1.35699 11 4PX -0.61682 0.00000 -1.44261 -1.41234 -1.20350 12 4PY 0.49782 0.00000 0.54538 1.69451 -0.25614 13 4PZ 0.00000 0.86777 0.00000 0.00000 0.00000 14 5S 3.21709 0.00000 -1.37665 -0.02535 -1.60825 15 5PX -0.62900 0.00000 0.42981 0.24041 0.02456 16 5PY -0.39466 0.00000 0.26230 -0.05320 0.32038 17 5PZ 0.00000 0.33884 0.00000 0.00000 0.00000 18 6D 0 -0.07161 0.00000 0.03236 -0.06208 0.00322 19 6D+1 0.00000 0.01529 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.08196 0.00000 0.00000 0.00000 21 6D+2 -0.04034 0.00000 -0.04068 0.13576 0.04672 22 6D-2 0.00038 0.00000 -0.07212 0.01663 -0.12515 23 7D 0 -0.24139 0.00000 -0.47930 1.41527 0.53038 24 7D+1 0.00000 0.14742 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.17258 0.00000 0.00000 0.00000 26 7D+2 0.95759 0.00000 -0.24597 -0.81094 -0.50649 27 7D-2 0.34989 0.00000 0.24203 0.08497 0.92478 28 2 C 1S 0.02203 0.00000 -0.01506 -0.01043 -0.00591 29 2S 0.04141 0.00000 -0.02850 -0.01470 -0.01441 30 2PX 0.20333 0.00000 -0.20012 -0.11459 0.34718 31 2PY 0.06388 0.00000 0.12593 -0.03117 -0.14305 32 2PZ 0.00000 0.02258 0.00000 0.00000 0.00000 33 3S -0.18883 0.00000 0.06113 -0.11506 0.19305 34 3PX -0.19209 0.00000 -0.22771 -0.16323 -0.18560 35 3PY 0.24805 0.00000 -0.09910 0.45547 -0.18156 36 3PZ 0.00000 0.10027 0.00000 0.00000 0.00000 37 4S -1.16038 0.00000 0.61511 1.91847 -0.76522 38 4PX 0.59372 0.00000 0.11792 -0.14791 -0.15144 39 4PY -0.24175 0.00000 -0.86509 0.73495 -0.72233 40 4PZ 0.00000 0.02250 0.00000 0.00000 0.00000 41 5S -2.89259 0.00000 1.37390 0.26822 0.98444 42 5PX -0.01366 0.00000 -0.15686 -0.30572 0.48596 43 5PY -0.93562 0.00000 0.34265 0.21972 -0.03771 44 5PZ 0.00000 -0.09573 0.00000 0.00000 0.00000 45 6D 0 -0.04994 0.00000 0.06042 0.03839 0.01795 46 6D+1 0.00000 -0.01978 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.02212 0.00000 0.00000 0.00000 48 6D+2 -0.00905 0.00000 -0.05329 -0.08801 0.00696 49 6D-2 0.02891 0.00000 0.00150 0.00525 -0.05522 50 7D 0 0.31727 0.00000 -0.02594 -0.43864 0.01501 51 7D+1 0.00000 0.09379 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.30178 0.00000 0.00000 0.00000 53 7D+2 1.67456 0.00000 0.23737 0.04534 -0.45295 54 7D-2 0.09017 0.00000 -0.43957 0.30500 -1.07777 55 3 O 1S -0.02691 0.00000 -0.00529 0.00529 0.02541 56 2S -0.05659 0.00000 -0.01097 0.01150 0.05117 57 2PX 0.01528 0.00000 -0.02482 0.01025 -0.01077 58 2PY 0.05782 0.00000 0.00523 -0.00606 -0.05928 59 2PZ 0.00000 0.01470 0.00000 0.00000 0.00000 60 3S 0.51469 0.00000 0.12033 -0.14224 -0.46100 61 3PX -0.04294 0.00000 -0.03414 -0.02798 0.02241 62 3PY 0.25310 0.00000 -0.03274 -0.01169 -0.14420 63 3PZ 0.00000 0.01583 0.00000 0.00000 0.00000 64 4S 0.68977 0.00000 -0.82143 0.48186 -0.27866 65 4PX -0.86366 0.00000 -0.05344 0.19745 -0.09666 66 4PY -0.04789 0.00000 -0.22627 0.45849 -0.18726 67 4PZ 0.00000 -0.28153 0.00000 0.00000 0.00000 68 5S -0.19289 0.00000 -0.01760 0.15842 -0.43537 69 5PX 0.21211 0.00000 0.26832 -0.07362 0.13427 70 5PY 0.12449 0.00000 -0.01095 -0.09130 -0.01921 71 5PZ 0.00000 -0.03740 0.00000 0.00000 0.00000 72 6D 0 -0.00014 0.00000 -0.00654 0.00294 -0.00718 73 6D+1 0.00000 -0.00177 0.00000 0.00000 0.00000 74 6D-1 0.00000 -0.00547 0.00000 0.00000 0.00000 75 6D+2 0.00213 0.00000 0.00570 -0.00805 0.00678 76 6D-2 -0.01062 0.00000 0.00324 0.00112 0.00076 77 7D 0 0.00417 0.00000 -0.14773 0.02501 -0.08989 78 7D+1 0.00000 0.05225 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.29904 0.00000 0.00000 0.00000 80 7D+2 0.25110 0.00000 0.06261 -0.43131 0.44443 81 7D-2 -0.74739 0.00000 -0.07606 0.12028 -0.00457 82 4 H 1S 0.47242 0.00000 -0.37416 -0.33057 0.49059 83 2S -1.35384 0.00000 0.11352 -0.17836 -0.71232 84 3S 1.57108 0.00000 -0.64527 -0.93045 0.87357 85 4PX 0.14874 0.00000 -0.55786 -0.33202 0.02029 86 4PY 0.45677 0.00000 -0.02134 0.15389 -0.68799 87 4PZ 0.00000 0.08270 0.00000 0.00000 0.00000 88 5 H 1S -0.16445 -0.30539 0.06016 -0.16822 0.17426 89 2S 0.32149 0.07000 0.14764 -0.61621 -0.21067 90 3S -0.81636 -0.81431 0.02278 -0.36701 0.51305 91 4PX 0.08394 -0.25312 0.19102 -0.19355 -0.17293 92 4PY 0.06218 0.21823 -0.44461 0.49666 0.16292 93 4PZ 0.16944 0.16442 0.25232 0.24744 -0.27162 94 6 O 1S 0.00167 0.00000 0.02881 0.02428 0.02569 95 2S 0.00444 0.00000 0.06382 0.05240 0.05455 96 2PX 0.02362 0.00000 -0.00593 0.00959 0.02491 97 2PY -0.03846 0.00000 0.00624 -0.04481 0.02124 98 2PZ 0.00000 -0.00770 0.00000 0.00000 0.00000 99 3S -0.04440 0.00000 -0.62184 -0.64406 -0.58724 100 3PX 0.10648 0.00000 0.10098 0.01019 0.04147 101 3PY -0.07564 0.00000 0.13194 -0.08063 0.09011 102 3PZ 0.00000 0.05958 0.00000 0.00000 0.00000 103 4S -0.49129 0.00000 1.31211 3.55792 2.38944 104 4PX -0.07763 0.00000 -1.20700 -1.96846 -1.76665 105 4PY 0.04106 0.00000 0.36411 0.44959 -0.08170 106 4PZ 0.00000 -0.65823 0.00000 0.00000 0.00000 107 5S 0.62665 0.00000 1.98533 1.19838 1.13548 108 5PX -0.00374 0.00000 -0.20811 -0.35558 0.06515 109 5PY -0.22328 0.00000 -0.60732 -0.20484 -0.03001 110 5PZ 0.00000 -0.05151 0.00000 0.00000 0.00000 111 6D 0 0.00221 0.00000 0.00276 -0.00847 -0.01054 112 6D+1 0.00000 0.00788 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00066 0.00000 0.00000 0.00000 114 6D+2 0.01228 0.00000 0.00338 0.01242 0.00619 115 6D-2 -0.00381 0.00000 -0.00017 -0.00772 0.00348 116 7D 0 0.06420 0.00000 -0.07599 -0.69120 -0.47954 117 7D+1 0.00000 0.34854 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.74369 0.00000 0.00000 0.00000 119 7D+2 0.43633 0.00000 0.22646 0.52649 0.48656 120 7D-2 0.21790 0.00000 0.36817 -0.45478 0.28775 121 7 H 1S -0.23980 0.00000 -0.37398 -0.06151 -0.04991 122 2S 0.97540 0.00000 0.85484 -0.19931 -0.09606 123 3S -1.16797 0.00000 -1.66372 -0.23287 -0.49017 124 4PX 0.04366 0.00000 0.72330 -0.08717 0.40016 125 4PY -0.06351 0.00000 0.31117 -0.16608 0.09286 126 4PZ 0.00000 0.89692 0.00000 0.00000 0.00000 127 8 H 1S -0.16445 0.30539 0.06016 -0.16822 0.17426 128 2S 0.32149 -0.07000 0.14764 -0.61621 -0.21067 129 3S -0.81636 0.81431 0.02278 -0.36701 0.51305 130 4PX 0.08394 0.25312 0.19102 -0.19355 -0.17293 131 4PY 0.06218 -0.21823 -0.44461 0.49666 0.16292 132 4PZ -0.16944 0.16442 -0.25232 -0.24744 0.27162 86 87 88 89 90 V V V V V Eigenvalues -- 2.27225 2.28755 2.38563 2.49863 2.52147 1 1 C 1S 0.00000 -0.05227 0.00000 -0.01304 -0.00736 2 2S 0.00000 -0.10665 0.00000 -0.04649 -0.02601 3 2PX 0.00000 0.04307 0.00000 -0.01837 0.08382 4 2PY 0.00000 0.30956 0.00000 0.14450 0.21362 5 2PZ 0.46441 0.00000 -0.04564 0.00000 0.00000 6 3S 0.00000 0.64418 0.00000 0.70545 0.18257 7 3PX 0.00000 0.21624 0.00000 -0.45791 0.17920 8 3PY 0.00000 -0.11234 0.00000 -0.23128 -0.42420 9 3PZ 0.28624 0.00000 -0.96248 0.00000 0.00000 10 4S 0.00000 0.57141 0.00000 -0.00324 2.53268 11 4PX 0.00000 0.66503 0.00000 -0.61601 -0.16511 12 4PY 0.00000 0.73120 0.00000 0.47059 0.48054 13 4PZ 0.90715 0.00000 -1.62248 0.00000 0.00000 14 5S 0.00000 4.65580 0.00000 0.93223 2.01920 15 5PX 0.00000 -0.96689 0.00000 -0.22855 -0.37314 16 5PY 0.00000 -0.76993 0.00000 -0.17801 -0.54461 17 5PZ 0.42676 0.00000 0.00639 0.00000 0.00000 18 6D 0 0.00000 -0.08635 0.00000 -0.05287 0.06239 19 6D+1 0.06757 0.00000 0.05814 0.00000 0.00000 20 6D-1 -0.10031 0.00000 0.08705 0.00000 0.00000 21 6D+2 0.00000 0.01877 0.00000 -0.00375 -0.09105 22 6D-2 0.00000 0.00147 0.00000 0.07226 0.04286 23 7D 0 0.00000 0.26121 0.00000 0.24007 0.37837 24 7D+1 0.12969 0.00000 2.03842 0.00000 0.00000 25 7D-1 1.46839 0.00000 -1.03960 0.00000 0.00000 26 7D+2 0.00000 -0.37649 0.00000 -0.63811 1.82306 27 7D-2 0.00000 -0.27923 0.00000 -0.26792 1.07254 28 2 C 1S 0.00000 -0.00360 0.00000 -0.04606 -0.02013 29 2S 0.00000 -0.01832 0.00000 -0.13281 -0.05867 30 2PX 0.00000 -0.00142 0.00000 -0.12989 -0.31485 31 2PY 0.00000 -0.13382 0.00000 -0.13082 -0.08192 32 2PZ 0.24224 0.00000 0.29250 0.00000 0.00000 33 3S 0.00000 0.37238 0.00000 1.42062 0.51869 34 3PX 0.00000 0.44451 0.00000 0.56412 -0.06516 35 3PY 0.00000 -0.33732 0.00000 -1.20931 -0.27053 36 3PZ -0.12553 0.00000 -0.37042 0.00000 0.00000 37 4S 0.00000 0.99443 0.00000 5.89173 0.95855 38 4PX 0.00000 0.10145 0.00000 0.81796 -0.41136 39 4PY 0.00000 -0.03641 0.00000 -2.85890 -1.21586 40 4PZ 0.42658 0.00000 0.54116 0.00000 0.00000 41 5S 0.00000 -3.64462 0.00000 -0.47866 -1.65442 42 5PX 0.00000 -0.37718 0.00000 -0.13404 -0.33823 43 5PY 0.00000 -0.67107 0.00000 -0.45294 -0.44135 44 5PZ -0.27216 0.00000 0.01433 0.00000 0.00000 45 6D 0 0.00000 -0.02640 0.00000 -0.02709 0.02879 46 6D+1 0.00066 0.00000 -0.01801 0.00000 0.00000 47 6D-1 -0.02361 0.00000 -0.14430 0.00000 0.00000 48 6D+2 0.00000 0.06972 0.00000 -0.06071 -0.08378 49 6D-2 0.00000 -0.02511 0.00000 0.14440 0.06715 50 7D 0 0.00000 0.02790 0.00000 -0.70264 -0.39237 51 7D+1 0.61213 0.00000 -0.24291 0.00000 0.00000 52 7D-1 0.16054 0.00000 1.15392 0.00000 0.00000 53 7D+2 0.00000 -0.92377 0.00000 -0.05518 2.12259 54 7D-2 0.00000 -0.09970 0.00000 -2.07380 -0.47324 55 3 O 1S 0.00000 0.01118 0.00000 -0.02168 -0.01320 56 2S 0.00000 0.02160 0.00000 -0.04943 -0.03172 57 2PX 0.00000 -0.02753 0.00000 0.05200 -0.04660 58 2PY 0.00000 -0.04279 0.00000 -0.05445 -0.02750 59 2PZ -0.01167 0.00000 0.01051 0.00000 0.00000 60 3S 0.00000 -0.14849 0.00000 0.69432 0.43646 61 3PX 0.00000 -0.01173 0.00000 0.06559 -0.16971 62 3PY 0.00000 -0.11255 0.00000 -0.10871 0.05732 63 3PZ 0.00879 0.00000 0.03646 0.00000 0.00000 64 4S 0.00000 -0.89909 0.00000 -5.65204 -0.65394 65 4PX 0.00000 0.64900 0.00000 -0.00653 -0.30412 66 4PY 0.00000 -0.39301 0.00000 -3.34558 -0.63928 67 4PZ -0.13032 0.00000 0.67463 0.00000 0.00000 68 5S 0.00000 -0.02821 0.00000 -2.75301 -0.66080 69 5PX 0.00000 -0.24079 0.00000 0.45184 0.42584 70 5PY 0.00000 -0.00737 0.00000 -0.43030 -0.03438 71 5PZ 0.02003 0.00000 -0.22797 0.00000 0.00000 72 6D 0 0.00000 -0.00472 0.00000 0.00941 -0.00129 73 6D+1 -0.00232 0.00000 -0.00550 0.00000 0.00000 74 6D-1 -0.00242 0.00000 0.00391 0.00000 0.00000 75 6D+2 0.00000 0.00348 0.00000 0.01190 -0.00006 76 6D-2 0.00000 0.01250 0.00000 -0.01576 0.00784 77 7D 0 0.00000 0.03429 0.00000 0.59541 0.24856 78 7D+1 -0.15546 0.00000 -0.23135 0.00000 0.00000 79 7D-1 -0.14647 0.00000 0.45389 0.00000 0.00000 80 7D+2 0.00000 0.24277 0.00000 1.18027 0.35190 81 7D-2 0.00000 0.46305 0.00000 0.05202 -0.12115 82 4 H 1S 0.00000 0.04253 0.00000 -0.11460 -0.17142 83 2S 0.00000 0.64722 0.00000 -1.01145 -1.84599 84 3S 0.00000 -0.04258 0.00000 0.18622 0.05578 85 4PX 0.00000 0.34061 0.00000 -0.47586 -0.70420 86 4PY 0.00000 -0.20825 0.00000 -0.49583 0.48914 87 4PZ 0.32716 0.00000 -0.27390 0.00000 0.00000 88 5 H 1S -0.34081 -0.63587 -0.15062 0.11720 0.18561 89 2S -0.83863 0.51372 2.24399 -0.53157 -0.20010 90 3S -0.70424 -1.36501 -0.16156 -0.06827 -0.34430 91 4PX -0.40823 -0.19930 -0.45316 -0.02174 -0.21745 92 4PY 0.19605 0.15472 -0.55087 -0.03834 0.47377 93 4PZ 0.54779 0.42529 -0.64242 0.28196 -0.46820 94 6 O 1S 0.00000 -0.00445 0.00000 -0.00813 -0.02259 95 2S 0.00000 -0.01274 0.00000 -0.01709 -0.04640 96 2PX 0.00000 0.01267 0.00000 -0.00463 -0.03276 97 2PY 0.00000 0.05773 0.00000 -0.01015 -0.04537 98 2PZ -0.01354 0.00000 -0.01345 0.00000 0.00000 99 3S 0.00000 0.18194 0.00000 0.13625 0.42577 100 3PX 0.00000 -0.06232 0.00000 -0.05769 -0.04046 101 3PY 0.00000 0.08128 0.00000 -0.08835 -0.08753 102 3PZ 0.01090 0.00000 0.03739 0.00000 0.00000 103 4S 0.00000 -0.17159 0.00000 0.34790 -0.98875 104 4PX 0.00000 0.24677 0.00000 -0.06175 0.73151 105 4PY 0.00000 -0.41601 0.00000 0.72480 -1.48068 106 4PZ 0.18272 0.00000 -0.86452 0.00000 0.00000 107 5S 0.00000 -0.84608 0.00000 0.17326 -0.25317 108 5PX 0.00000 0.03192 0.00000 -0.13910 0.00094 109 5PY 0.00000 0.28983 0.00000 -0.06858 0.27663 110 5PZ -0.23298 0.00000 0.42823 0.00000 0.00000 111 6D 0 0.00000 -0.00226 0.00000 0.00493 0.00735 112 6D+1 0.00313 0.00000 0.01614 0.00000 0.00000 113 6D-1 -0.01108 0.00000 -0.00441 0.00000 0.00000 114 6D+2 0.00000 -0.00246 0.00000 0.00144 -0.00246 115 6D-2 0.00000 0.01302 0.00000 -0.01175 0.01414 116 7D 0 0.00000 0.13349 0.00000 0.03564 0.02942 117 7D+1 0.05230 0.00000 0.82422 0.00000 0.00000 118 7D-1 -0.72418 0.00000 -0.16731 0.00000 0.00000 119 7D+2 0.00000 -0.24138 0.00000 0.06597 -0.12651 120 7D-2 0.00000 0.44003 0.00000 -0.62593 0.89194 121 7 H 1S 0.00000 0.29936 0.00000 0.05836 0.03217 122 2S 0.00000 -0.67339 0.00000 0.28517 -0.66099 123 3S 0.00000 0.70216 0.00000 0.15531 -0.05454 124 4PX 0.00000 0.26940 0.00000 -0.40818 0.24913 125 4PY 0.00000 0.01272 0.00000 -0.12545 -0.29057 126 4PZ -0.52202 0.00000 0.00784 0.00000 0.00000 127 8 H 1S 0.34081 -0.63587 0.15062 0.11720 0.18561 128 2S 0.83863 0.51372 -2.24399 -0.53157 -0.20010 129 3S 0.70424 -1.36501 0.16156 -0.06827 -0.34430 130 4PX 0.40823 -0.19930 0.45316 -0.02174 -0.21745 131 4PY -0.19605 0.15472 0.55087 -0.03834 0.47377 132 4PZ 0.54779 -0.42529 -0.64242 -0.28196 0.46820 91 92 93 94 95 V V V V V Eigenvalues -- 2.54263 2.64889 2.68922 2.73216 2.80256 1 1 C 1S -0.02753 -0.00362 0.00000 0.02937 -0.04468 2 2S -0.06577 -0.00264 0.00000 0.05574 -0.12424 3 2PX 0.10345 0.17692 0.00000 0.26322 0.22550 4 2PY 0.08097 0.11011 0.00000 -0.03267 -0.02684 5 2PZ 0.00000 0.00000 0.04690 0.00000 0.00000 6 3S 0.72157 0.11453 0.00000 -0.48957 0.65608 7 3PX -0.23003 -0.01923 0.00000 -0.41985 -0.36366 8 3PY -0.31986 -0.41791 0.00000 0.44552 0.89002 9 3PZ 0.00000 0.00000 -1.20134 0.00000 0.00000 10 4S 1.52927 -0.52690 0.00000 -1.92570 6.53274 11 4PX 1.10878 0.66897 0.00000 0.09903 0.69767 12 4PY -0.19478 0.23257 0.00000 0.12842 -0.45875 13 4PZ 0.00000 0.00000 -1.42947 0.00000 0.00000 14 5S 3.39163 3.04251 0.00000 0.17312 -1.95270 15 5PX -0.34370 -0.39756 0.00000 -0.21034 0.80472 16 5PY -0.56315 -0.32171 0.00000 -0.01638 0.08298 17 5PZ 0.00000 0.00000 0.64737 0.00000 0.00000 18 6D 0 -0.02702 0.04172 0.00000 -0.19462 -0.10565 19 6D+1 0.00000 0.00000 -0.00657 0.00000 0.00000 20 6D-1 0.00000 0.00000 -0.00360 0.00000 0.00000 21 6D+2 -0.01648 0.03292 0.00000 0.03316 0.02014 22 6D-2 0.04480 0.12598 0.00000 -0.00207 0.20528 23 7D 0 0.30253 0.38206 0.00000 -0.12456 0.30256 24 7D+1 0.00000 0.00000 -0.43611 0.00000 0.00000 25 7D-1 0.00000 0.00000 -0.50942 0.00000 0.00000 26 7D+2 -0.33761 -0.10514 0.00000 -0.55554 -0.18486 27 7D-2 -0.16930 -0.35741 0.00000 -0.22512 -0.64673 28 2 C 1S 0.01391 -0.02314 0.00000 -0.01491 0.02301 29 2S 0.05042 -0.06370 0.00000 -0.05457 0.04280 30 2PX -0.13236 0.09624 0.00000 -0.10226 0.04498 31 2PY -0.05145 -0.14306 0.00000 -0.08830 -0.28365 32 2PZ 0.00000 0.00000 0.05783 0.00000 0.00000 33 3S -0.90054 0.61423 0.00000 0.45217 -0.02447 34 3PX -0.91554 -0.50759 0.00000 -0.66227 0.05234 35 3PY 1.80970 0.15596 0.00000 -0.16371 0.94718 36 3PZ 0.00000 0.00000 -0.01257 0.00000 0.00000 37 4S -2.57162 2.08392 0.00000 2.55621 -5.51142 38 4PX -2.09672 -0.55969 0.00000 -0.47118 -1.98219 39 4PY 1.97596 0.20344 0.00000 0.33764 0.70793 40 4PZ 0.00000 0.00000 0.44452 0.00000 0.00000 41 5S -3.58486 -2.81376 0.00000 -0.79864 1.59101 42 5PX -0.79738 -0.35062 0.00000 0.18055 -0.06290 43 5PY -0.58412 -0.79836 0.00000 -0.22408 0.64729 44 5PZ 0.00000 0.00000 -0.26846 0.00000 0.00000 45 6D 0 -0.04335 -0.04406 0.00000 -0.11830 -0.01569 46 6D+1 0.00000 0.00000 0.05882 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.06757 0.00000 0.00000 48 6D+2 -0.07381 -0.09158 0.00000 0.02475 -0.10472 49 6D-2 0.02658 0.05880 0.00000 0.07459 0.07174 50 7D 0 -0.01670 -0.36206 0.00000 -0.29325 0.66893 51 7D+1 0.00000 0.00000 0.27457 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.36960 0.00000 0.00000 53 7D+2 1.13881 0.24528 0.00000 -0.53343 0.10361 54 7D-2 -1.18848 -0.11687 0.00000 0.73539 0.38918 55 3 O 1S 0.03270 -0.00778 0.00000 -0.00228 0.00892 56 2S 0.07213 -0.01901 0.00000 -0.00777 0.01961 57 2PX -0.02415 0.05225 0.00000 0.03213 -0.00209 58 2PY -0.00082 -0.03074 0.00000 -0.02195 0.01756 59 2PZ 0.00000 0.00000 -0.00602 0.00000 0.00000 60 3S -0.93744 0.23489 0.00000 0.14753 -0.31654 61 3PX -0.03388 0.00900 0.00000 -0.05465 -0.04643 62 3PY -0.03322 0.05400 0.00000 0.03339 0.08952 63 3PZ 0.00000 0.00000 0.02331 0.00000 0.00000 64 4S 4.09846 -0.68977 0.00000 -0.71926 3.13745 65 4PX -1.63828 0.06348 0.00000 1.10867 -0.21841 66 4PY 2.31291 -0.40378 0.00000 -0.27731 1.62985 67 4PZ 0.00000 0.00000 -0.44752 0.00000 0.00000 68 5S 2.17406 -0.03195 0.00000 -0.49379 1.79536 69 5PX 0.44371 0.41657 0.00000 -0.25708 0.17524 70 5PY 0.41118 0.00502 0.00000 -0.18390 0.34933 71 5PZ 0.00000 0.00000 0.07786 0.00000 0.00000 72 6D 0 -0.01123 0.00651 0.00000 -0.00094 -0.00084 73 6D+1 0.00000 0.00000 0.00404 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00970 0.00000 0.00000 75 6D+2 -0.00237 -0.00834 0.00000 -0.00202 -0.00666 76 6D-2 -0.01509 -0.01027 0.00000 0.01455 0.00185 77 7D 0 -0.58912 0.23618 0.00000 0.15835 -0.17496 78 7D+1 0.00000 0.00000 0.08793 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.29491 0.00000 0.00000 80 7D+2 -0.42222 -0.04051 0.00000 -0.24358 -0.26076 81 7D-2 -1.03228 0.13745 0.00000 0.61874 -0.02938 82 4 H 1S 0.30613 0.54910 0.00000 1.06453 0.04304 83 2S -2.56552 -2.17712 0.00000 -2.34182 0.59690 84 3S 0.05150 0.68349 0.00000 0.69239 -0.63531 85 4PX -0.93035 -0.56053 0.00000 -0.64612 0.34100 86 4PY -0.50918 0.17771 0.00000 0.44494 -0.05815 87 4PZ 0.00000 0.00000 0.19261 0.00000 0.00000 88 5 H 1S -0.16352 -0.30495 -0.95371 0.14075 0.75399 89 2S -0.07352 0.50157 2.66325 -0.14439 -3.04043 90 3S -0.32158 -0.39678 -0.89193 0.25198 0.86780 91 4PX -0.19358 0.00450 0.44913 0.16371 -0.17009 92 4PY 0.06609 0.09578 -0.47777 -0.17518 0.39538 93 4PZ 0.07453 -0.20522 -0.47502 0.15666 0.82796 94 6 O 1S -0.02634 0.01270 0.00000 0.00246 -0.01176 95 2S -0.05596 0.02962 0.00000 0.00321 -0.02463 96 2PX -0.04606 -0.02708 0.00000 0.00982 0.01291 97 2PY 0.01638 0.05497 0.00000 0.04074 -0.05616 98 2PZ 0.00000 0.00000 0.01757 0.00000 0.00000 99 3S 0.55381 -0.05844 0.00000 -0.13409 0.30030 100 3PX -0.16424 -0.10976 0.00000 0.02419 -0.10477 101 3PY -0.05904 0.63286 0.00000 -0.21942 0.17713 102 3PZ 0.00000 0.00000 -0.07193 0.00000 0.00000 103 4S -0.99290 -2.43315 0.00000 1.59872 -1.81429 104 4PX 0.73771 0.39951 0.00000 -0.76970 1.01211 105 4PY 0.11605 1.72428 0.00000 -0.13870 -0.12010 106 4PZ 0.00000 0.00000 0.71116 0.00000 0.00000 107 5S -0.57142 1.49745 0.00000 -0.03423 -1.07279 108 5PX 0.07418 0.02821 0.00000 -0.11023 0.57921 109 5PY -0.29202 -1.17191 0.00000 0.17523 -0.51614 110 5PZ 0.00000 0.00000 -0.11498 0.00000 0.00000 111 6D 0 0.00944 -0.00448 0.00000 -0.00022 0.00653 112 6D+1 0.00000 0.00000 -0.01002 0.00000 0.00000 113 6D-1 0.00000 0.00000 -0.00257 0.00000 0.00000 114 6D+2 -0.00893 -0.03172 0.00000 0.01083 -0.01279 115 6D-2 -0.00449 -0.00084 0.00000 -0.00221 0.01303 116 7D 0 0.18161 0.31637 0.00000 -0.12554 0.02184 117 7D+1 0.00000 0.00000 -0.43055 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.11044 0.00000 0.00000 119 7D+2 -0.10618 0.27669 0.00000 0.10572 -0.26748 120 7D-2 -0.12454 -0.20676 0.00000 -0.12369 0.18627 121 7 H 1S 0.28611 -0.79680 0.00000 0.60084 -0.49288 122 2S -0.16457 4.01182 0.00000 -1.67586 1.03080 123 3S -0.33219 -2.90304 0.00000 1.07048 -1.23265 124 4PX -0.08651 -0.25632 0.00000 0.20688 0.01111 125 4PY -0.10009 1.52154 0.00000 -0.44746 0.14524 126 4PZ 0.00000 0.00000 -0.07873 0.00000 0.00000 127 8 H 1S -0.16352 -0.30495 0.95371 0.14075 0.75399 128 2S -0.07352 0.50157 -2.66325 -0.14439 -3.04043 129 3S -0.32158 -0.39678 0.89193 0.25198 0.86780 130 4PX -0.19358 0.00450 -0.44913 0.16371 -0.17009 131 4PY 0.06609 0.09578 0.47777 -0.17518 0.39538 132 4PZ -0.07453 0.20522 -0.47502 -0.15666 -0.82796 96 97 98 99 100 V V V V V Eigenvalues -- 2.82240 2.95349 3.04268 3.13559 3.29424 1 1 C 1S 0.00000 -0.01088 -0.05735 0.00000 -0.00699 2 2S 0.00000 -0.02181 -0.11459 0.00000 -0.02675 3 2PX 0.00000 -0.15954 -0.39284 0.00000 -0.29998 4 2PY 0.00000 0.03099 -0.54830 0.00000 -0.49177 5 2PZ -0.15334 0.00000 0.00000 -0.93089 0.00000 6 3S 0.00000 0.16811 0.64151 0.00000 0.40645 7 3PX 0.00000 0.53210 0.65581 0.00000 0.19699 8 3PY 0.00000 -0.09105 1.19829 0.00000 0.38343 9 3PZ 0.20367 0.00000 0.00000 1.84286 0.00000 10 4S 0.00000 -1.27708 1.34392 0.00000 0.45992 11 4PX 0.00000 0.88617 -0.01728 0.00000 0.22720 12 4PY 0.00000 0.47537 0.02819 0.00000 0.18624 13 4PZ -0.21832 0.00000 0.00000 0.73248 0.00000 14 5S 0.00000 5.93581 0.25003 0.00000 2.87527 15 5PX 0.00000 -1.07377 0.04539 0.00000 -0.54191 16 5PY 0.00000 -1.43793 0.04473 0.00000 -0.66012 17 5PZ -0.12701 0.00000 0.00000 -0.04764 0.00000 18 6D 0 0.00000 0.13704 0.09525 0.00000 -0.22506 19 6D+1 0.02610 0.00000 0.00000 -0.17890 0.00000 20 6D-1 -0.02005 0.00000 0.00000 -0.56167 0.00000 21 6D+2 0.00000 -0.05978 0.12629 0.00000 -0.11225 22 6D-2 0.00000 -0.05956 -0.26968 0.00000 0.58414 23 7D 0 0.00000 -0.06759 0.21429 0.00000 0.36692 24 7D+1 0.63845 0.00000 0.00000 -0.09633 0.00000 25 7D-1 0.55289 0.00000 0.00000 1.09235 0.00000 26 7D+2 0.00000 -0.08202 -0.03691 0.00000 0.19962 27 7D-2 0.00000 -0.35124 0.16188 0.00000 -0.46288 28 2 C 1S 0.00000 -0.01797 -0.03842 0.00000 -0.02799 29 2S 0.00000 -0.04143 -0.07973 0.00000 -0.06523 30 2PX 0.00000 0.19960 0.30210 0.00000 0.32243 31 2PY 0.00000 0.09971 0.60754 0.00000 0.42183 32 2PZ -1.22309 0.00000 0.00000 0.14757 0.00000 33 3S 0.00000 0.33171 0.45770 0.00000 0.68771 34 3PX 0.00000 -0.40840 -0.71457 0.00000 -0.33013 35 3PY 0.00000 -0.20453 -1.19299 0.00000 -0.60572 36 3PZ 1.77953 0.00000 0.00000 -0.09430 0.00000 37 4S 0.00000 2.09804 3.23408 0.00000 1.96300 38 4PX 0.00000 0.34097 0.63846 0.00000 0.38858 39 4PY 0.00000 0.61856 -0.36857 0.00000 -0.99323 40 4PZ -0.42585 0.00000 0.00000 0.02080 0.00000 41 5S 0.00000 -5.45079 -0.34359 0.00000 -2.55551 42 5PX 0.00000 -0.63729 0.01324 0.00000 -0.36168 43 5PY 0.00000 -1.15747 -0.27742 0.00000 -0.66172 44 5PZ 0.16836 0.00000 0.00000 -0.07809 0.00000 45 6D 0 0.00000 0.06315 0.33399 0.00000 -0.54912 46 6D+1 -0.06371 0.00000 0.00000 0.54502 0.00000 47 6D-1 0.05467 0.00000 0.00000 0.07761 0.00000 48 6D+2 0.00000 -0.00633 0.00786 0.00000 -0.19264 49 6D-2 0.00000 -0.10833 -0.26561 0.00000 0.50566 50 7D 0 0.00000 -0.27670 -0.96598 0.00000 0.08110 51 7D+1 0.29996 0.00000 0.00000 -0.23006 0.00000 52 7D-1 0.00054 0.00000 0.00000 -0.35188 0.00000 53 7D+2 0.00000 -0.55680 0.20164 0.00000 0.20027 54 7D-2 0.00000 0.16427 0.00774 0.00000 -1.07045 55 3 O 1S 0.00000 0.00290 -0.00508 0.00000 0.00817 56 2S 0.00000 0.00558 -0.01195 0.00000 0.01422 57 2PX 0.00000 0.06123 -0.01120 0.00000 0.02922 58 2PY 0.00000 -0.01404 -0.04325 0.00000 -0.07349 59 2PZ -0.00812 0.00000 0.00000 -0.03261 0.00000 60 3S 0.00000 -0.03034 0.25315 0.00000 -0.03048 61 3PX 0.00000 0.00845 0.06052 0.00000 -0.02214 62 3PY 0.00000 -0.04062 -0.08167 0.00000 -0.12099 63 3PZ -0.00856 0.00000 0.00000 0.01150 0.00000 64 4S 0.00000 -0.69370 -2.21305 0.00000 -1.46943 65 4PX 0.00000 0.45714 0.37086 0.00000 0.02160 66 4PY 0.00000 -0.27899 -1.21062 0.00000 -0.78350 67 4PZ -0.31951 0.00000 0.00000 -0.16464 0.00000 68 5S 0.00000 0.14336 -0.91939 0.00000 -0.98464 69 5PX 0.00000 -0.11130 0.02717 0.00000 0.07264 70 5PY 0.00000 0.07900 -0.16791 0.00000 -0.24626 71 5PZ 0.15425 0.00000 0.00000 0.06334 0.00000 72 6D 0 0.00000 -0.00042 0.00943 0.00000 -0.01834 73 6D+1 -0.00042 0.00000 0.00000 0.01273 0.00000 74 6D-1 -0.00300 0.00000 0.00000 0.00422 0.00000 75 6D+2 0.00000 -0.00313 -0.00016 0.00000 0.00301 76 6D-2 0.00000 0.00137 0.00048 0.00000 -0.01314 77 7D 0 0.00000 0.04633 0.28163 0.00000 0.02461 78 7D+1 0.06324 0.00000 0.00000 0.11718 0.00000 79 7D-1 -0.31975 0.00000 0.00000 -0.08108 0.00000 80 7D+2 0.00000 -0.02447 0.09359 0.00000 0.13572 81 7D-2 0.00000 0.26082 0.09807 0.00000 0.13095 82 4 H 1S 0.00000 0.37147 0.20806 0.00000 -0.17024 83 2S 0.00000 -0.88650 -1.69257 0.00000 -0.48387 84 3S 0.00000 0.53810 0.55566 0.00000 0.30834 85 4PX 0.00000 -0.27333 -0.57885 0.00000 -0.23843 86 4PY 0.00000 -0.02553 0.21677 0.00000 -0.06105 87 4PZ -0.06256 0.00000 0.00000 0.05121 0.00000 88 5 H 1S -0.15694 -0.17965 0.12813 -0.19314 -0.14527 89 2S 0.03352 0.49460 -1.17620 -1.28818 0.00388 90 3S 0.11244 -0.52324 0.12800 0.14564 -0.23050 91 4PX -0.34241 0.04230 -0.17004 -0.18913 -0.10568 92 4PY -0.18955 -0.02255 0.33929 0.22515 -0.05896 93 4PZ 0.03520 0.00234 0.45066 0.19390 -0.03842 94 6 O 1S 0.00000 -0.02146 -0.00706 0.00000 -0.00086 95 2S 0.00000 -0.03909 -0.02029 0.00000 -0.00004 96 2PX 0.00000 0.02688 0.04454 0.00000 -0.03708 97 2PY 0.00000 -0.25651 0.03920 0.00000 -0.02032 98 2PZ -0.01771 0.00000 0.00000 -0.00705 0.00000 99 3S 0.00000 -0.00770 0.43588 0.00000 -0.02886 100 3PX 0.00000 0.04001 -0.14385 0.00000 0.07862 101 3PY 0.00000 -0.44609 0.14933 0.00000 0.01196 102 3PZ 0.02077 0.00000 0.00000 0.05681 0.00000 103 4S 0.00000 2.62839 -1.87113 0.00000 0.08404 104 4PX 0.00000 0.27971 0.84084 0.00000 0.01057 105 4PY 0.00000 -2.34198 0.49583 0.00000 -0.35150 106 4PZ -0.22648 0.00000 0.00000 -0.27414 0.00000 107 5S 0.00000 -2.19612 -0.05914 0.00000 -1.17294 108 5PX 0.00000 0.18351 -0.00780 0.00000 0.15511 109 5PY 0.00000 1.13083 -0.23053 0.00000 0.55712 110 5PZ 0.08919 0.00000 0.00000 0.01688 0.00000 111 6D 0 0.00000 0.00502 0.00684 0.00000 -0.00754 112 6D+1 0.00430 0.00000 0.00000 0.00770 0.00000 113 6D-1 -0.01728 0.00000 0.00000 -0.02210 0.00000 114 6D+2 0.00000 0.00377 -0.00834 0.00000 0.00470 115 6D-2 0.00000 0.00788 -0.00909 0.00000 0.02642 116 7D 0 0.00000 -0.67434 0.44174 0.00000 -0.13275 117 7D+1 0.17702 0.00000 0.00000 0.17262 0.00000 118 7D-1 -0.26374 0.00000 0.00000 -0.22180 0.00000 119 7D+2 0.00000 -1.42628 0.14429 0.00000 -0.02236 120 7D-2 0.00000 -0.06211 0.22740 0.00000 0.19669 121 7 H 1S 0.00000 -0.86732 0.21816 0.00000 -0.00509 122 2S 0.00000 -3.00024 0.95659 0.00000 -0.40487 123 3S 0.00000 1.53463 -0.26128 0.00000 1.01417 124 4PX 0.00000 0.05482 0.02226 0.00000 0.14835 125 4PY 0.00000 -1.78591 0.53478 0.00000 -0.11958 126 4PZ -0.06960 0.00000 0.00000 0.00721 0.00000 127 8 H 1S 0.15694 -0.17965 0.12813 0.19314 -0.14527 128 2S -0.03352 0.49460 -1.17620 1.28818 0.00388 129 3S -0.11244 -0.52324 0.12800 -0.14564 -0.23050 130 4PX 0.34241 0.04230 -0.17004 0.18913 -0.10568 131 4PY 0.18955 -0.02255 0.33929 -0.22515 -0.05896 132 4PZ 0.03520 -0.00234 -0.45066 0.19390 0.03842 101 102 103 104 105 V V V V V Eigenvalues -- 3.30143 3.32133 3.36198 3.43598 3.43991 1 1 C 1S 0.00000 0.00000 -0.00184 -0.00629 0.00000 2 2S 0.00000 0.00000 -0.00578 -0.01405 0.00000 3 2PX 0.00000 0.00000 0.05595 0.89661 0.00000 4 2PY 0.00000 0.00000 -0.19074 -0.29162 0.00000 5 2PZ -0.09679 -0.59837 0.00000 0.00000 0.19238 6 3S 0.00000 0.00000 0.16245 0.23331 0.00000 7 3PX 0.00000 0.00000 -0.00421 -1.92904 0.00000 8 3PY 0.00000 0.00000 0.36035 0.37904 0.00000 9 3PZ 0.14211 1.13986 0.00000 0.00000 -0.49356 10 4S 0.00000 0.00000 -0.99435 -0.13611 0.00000 11 4PX 0.00000 0.00000 0.14067 -1.50368 0.00000 12 4PY 0.00000 0.00000 0.23449 -0.72728 0.00000 13 4PZ -0.30625 -0.18186 0.00000 0.00000 -1.15337 14 5S 0.00000 0.00000 0.86977 0.70055 0.00000 15 5PX 0.00000 0.00000 -0.11878 -0.18916 0.00000 16 5PY 0.00000 0.00000 -0.23176 -0.16465 0.00000 17 5PZ -0.02314 -0.16949 0.00000 0.00000 -0.02113 18 6D 0 0.00000 0.00000 -0.11094 0.09832 0.00000 19 6D+1 -0.47437 0.46557 0.00000 0.00000 -0.90726 20 6D-1 -0.14436 -0.26526 0.00000 0.00000 -0.26203 21 6D+2 0.00000 0.00000 0.31061 0.76732 0.00000 22 6D-2 0.00000 0.00000 0.04471 -0.06115 0.00000 23 7D 0 0.00000 0.00000 0.40933 0.20050 0.00000 24 7D+1 0.40810 -0.78043 0.00000 0.00000 1.24929 25 7D-1 0.26114 0.77299 0.00000 0.00000 0.04304 26 7D+2 0.00000 0.00000 -0.52848 -1.03330 0.00000 27 7D-2 0.00000 0.00000 -0.20028 0.72960 0.00000 28 2 C 1S 0.00000 0.00000 -0.01260 0.00294 0.00000 29 2S 0.00000 0.00000 -0.01990 0.00960 0.00000 30 2PX 0.00000 0.00000 -0.92926 0.31046 0.00000 31 2PY 0.00000 0.00000 0.52184 0.07579 0.00000 32 2PZ 0.13224 0.12284 0.00000 0.00000 -0.07317 33 3S 0.00000 0.00000 0.18548 -0.08197 0.00000 34 3PX 0.00000 0.00000 2.03190 -0.87384 0.00000 35 3PY 0.00000 0.00000 -1.09696 -0.17954 0.00000 36 3PZ -0.21497 -0.17682 0.00000 0.00000 0.19091 37 4S 0.00000 0.00000 1.87004 -1.85593 0.00000 38 4PX 0.00000 0.00000 -0.34292 -0.78894 0.00000 39 4PY 0.00000 0.00000 -0.18665 -0.35170 0.00000 40 4PZ 0.35246 0.25628 0.00000 0.00000 0.59516 41 5S 0.00000 0.00000 -0.84640 -0.84439 0.00000 42 5PX 0.00000 0.00000 -0.36809 -0.15085 0.00000 43 5PY 0.00000 0.00000 -0.18415 -0.29308 0.00000 44 5PZ 0.04318 0.02184 0.00000 0.00000 -0.01835 45 6D 0 0.00000 0.00000 -0.28297 0.04848 0.00000 46 6D+1 -0.51762 -0.83388 0.00000 0.00000 -0.24789 47 6D-1 0.87895 -0.32400 0.00000 0.00000 -0.66372 48 6D+2 0.00000 0.00000 0.50937 -0.13225 0.00000 49 6D-2 0.00000 0.00000 -0.15062 0.17840 0.00000 50 7D 0 0.00000 0.00000 0.03701 -0.04189 0.00000 51 7D+1 0.32487 0.69721 0.00000 0.00000 0.27343 52 7D-1 -0.28044 -0.13218 0.00000 0.00000 0.90803 53 7D+2 0.00000 0.00000 -1.56462 1.02833 0.00000 54 7D-2 0.00000 0.00000 -0.16562 -0.78239 0.00000 55 3 O 1S 0.00000 0.00000 0.01438 -0.00422 0.00000 56 2S 0.00000 0.00000 0.03293 -0.00835 0.00000 57 2PX 0.00000 0.00000 -0.00000 -0.03416 0.00000 58 2PY 0.00000 0.00000 -0.05015 0.01023 0.00000 59 2PZ 0.12265 -0.01343 0.00000 0.00000 -0.03010 60 3S 0.00000 0.00000 -0.29733 0.06665 0.00000 61 3PX 0.00000 0.00000 0.17521 -0.02830 0.00000 62 3PY 0.00000 0.00000 -0.29177 0.05332 0.00000 63 3PZ -0.11347 0.00824 0.00000 0.00000 0.06811 64 4S 0.00000 0.00000 -1.70733 0.43445 0.00000 65 4PX 0.00000 0.00000 0.40556 -0.52467 0.00000 66 4PY 0.00000 0.00000 -0.71821 -0.00294 0.00000 67 4PZ 0.00796 -0.26430 0.00000 0.00000 0.15401 68 5S 0.00000 0.00000 -0.03651 0.37333 0.00000 69 5PX 0.00000 0.00000 0.11967 0.20000 0.00000 70 5PY 0.00000 0.00000 0.00425 0.28940 0.00000 71 5PZ -0.13866 0.04116 0.00000 0.00000 -0.08829 72 6D 0 0.00000 0.00000 -0.00556 0.01412 0.00000 73 6D+1 0.00530 0.00057 0.00000 0.00000 -0.01526 74 6D-1 -0.01384 -0.00858 0.00000 0.00000 0.00983 75 6D+2 0.00000 0.00000 -0.00357 0.02404 0.00000 76 6D-2 0.00000 0.00000 0.00710 -0.02362 0.00000 77 7D 0 0.00000 0.00000 -0.02850 0.05143 0.00000 78 7D+1 -0.11614 -0.00270 0.00000 0.00000 -0.06924 79 7D-1 0.27307 -0.13099 0.00000 0.00000 -0.05505 80 7D+2 0.00000 0.00000 0.22397 0.09564 0.00000 81 7D-2 0.00000 0.00000 -0.03121 -0.20554 0.00000 82 4 H 1S 0.00000 0.00000 0.36514 -0.32737 0.00000 83 2S 0.00000 0.00000 1.01077 -0.75624 0.00000 84 3S 0.00000 0.00000 -0.71508 0.00022 0.00000 85 4PX 0.00000 0.00000 0.33472 -0.19178 0.00000 86 4PY 0.00000 0.00000 -0.26760 0.06462 0.00000 87 4PZ 0.01989 0.16409 0.00000 0.00000 -0.09478 88 5 H 1S -0.15366 -0.14855 -0.00720 -0.21916 0.07291 89 2S 0.18574 -0.81953 -0.25875 0.03744 0.65443 90 3S 0.01749 0.40528 0.11578 0.06920 0.12594 91 4PX -0.10573 0.08841 -0.00572 0.07635 -0.13841 92 4PY -0.07845 0.16264 0.07088 -0.00563 -0.14990 93 4PZ 0.01053 0.15275 0.04612 0.08033 -0.05771 94 6 O 1S 0.00000 0.00000 0.00790 -0.00962 0.00000 95 2S 0.00000 0.00000 0.01547 -0.01835 0.00000 96 2PX 0.00000 0.00000 0.07411 -0.05879 0.00000 97 2PY 0.00000 0.00000 -0.05313 -0.08971 0.00000 98 2PZ 0.01703 -0.01070 0.00000 0.00000 0.00787 99 3S 0.00000 0.00000 -0.17885 -0.05566 0.00000 100 3PX 0.00000 0.00000 -0.04723 -0.19711 0.00000 101 3PY 0.00000 0.00000 0.14566 -0.01378 0.00000 102 3PZ -0.02534 0.04419 0.00000 0.00000 -0.05655 103 4S 0.00000 0.00000 0.65984 2.72094 0.00000 104 4PX 0.00000 0.00000 -0.39308 -1.16044 0.00000 105 4PY 0.00000 0.00000 -0.02118 -0.17158 0.00000 106 4PZ -0.06741 0.24087 0.00000 0.00000 -0.19715 107 5S 0.00000 0.00000 0.32508 -0.21138 0.00000 108 5PX 0.00000 0.00000 0.04013 0.07790 0.00000 109 5PY 0.00000 0.00000 -0.12688 0.49233 0.00000 110 5PZ 0.02948 0.02962 0.00000 0.00000 0.16224 111 6D 0 0.00000 0.00000 -0.02146 0.00794 0.00000 112 6D+1 -0.00241 0.00224 0.00000 0.00000 -0.00734 113 6D-1 -0.00536 -0.00535 0.00000 0.00000 -0.00001 114 6D+2 0.00000 0.00000 0.00795 -0.00519 0.00000 115 6D-2 0.00000 0.00000 0.01696 0.01032 0.00000 116 7D 0 0.00000 0.00000 -0.14897 -0.21481 0.00000 117 7D+1 0.01705 -0.05319 0.00000 0.00000 0.05981 118 7D-1 -0.06595 -0.06266 0.00000 0.00000 -0.05158 119 7D+2 0.00000 0.00000 -0.08146 -0.03263 0.00000 120 7D-2 0.00000 0.00000 0.04667 -0.02545 0.00000 121 7 H 1S 0.00000 0.00000 -0.39503 -0.01227 0.00000 122 2S 0.00000 0.00000 0.50053 -0.97154 0.00000 123 3S 0.00000 0.00000 -0.46313 0.65705 0.00000 124 4PX 0.00000 0.00000 -0.12530 0.21370 0.00000 125 4PY 0.00000 0.00000 0.03278 -0.40146 0.00000 126 4PZ -0.02035 -0.04764 0.00000 0.00000 0.00015 127 8 H 1S 0.15366 0.14855 -0.00720 -0.21916 -0.07291 128 2S -0.18574 0.81953 -0.25875 0.03744 -0.65443 129 3S -0.01749 -0.40528 0.11578 0.06920 -0.12594 130 4PX 0.10573 -0.08841 -0.00572 0.07635 0.13841 131 4PY 0.07845 -0.16264 0.07088 -0.00563 0.14990 132 4PZ 0.01053 0.15275 -0.04612 -0.08033 -0.05771 106 107 108 109 110 V V V V V Eigenvalues -- 3.47382 3.59018 3.63200 3.84243 3.92428 1 1 C 1S -0.00779 -0.02462 -0.00354 0.01356 0.00757 2 2S -0.02086 -0.05143 -0.00247 0.01640 0.01691 3 2PX 0.00693 0.41611 0.30600 -0.62084 0.06240 4 2PY 0.70726 0.15481 -0.39548 0.31167 0.08009 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.16996 0.43699 0.41020 -0.00106 -0.15958 7 3PX -0.23376 -1.02621 -0.75919 1.82411 -0.08593 8 3PY -1.51559 -0.56926 0.73211 -1.14860 -0.19480 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 5.93641 3.11115 -4.36758 1.14364 -0.62289 11 4PX -0.42944 -2.58136 0.02457 0.34852 -0.23790 12 4PY -2.74304 -0.04461 1.94843 -0.13872 0.25458 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S -2.70102 -0.40588 0.85727 1.94291 0.20169 15 5PX 0.49422 0.10753 -0.25738 -0.12566 -0.14133 16 5PY 0.66198 0.05177 -0.35139 -0.42037 0.00645 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.53172 -0.47615 -0.37822 -0.65079 -0.06282 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 0.04896 -0.38629 -0.39136 0.61310 0.02075 22 6D-2 0.04292 -0.78742 0.14603 -0.15871 0.01238 23 7D 0 -0.98556 0.72327 1.19249 0.14833 -0.09992 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 -0.62521 0.31462 -0.04720 -0.16029 0.26144 27 7D-2 0.30236 1.45005 -0.08020 -0.10348 0.14602 28 2 C 1S 0.02257 -0.00791 0.01659 0.00702 0.01384 29 2S 0.04635 -0.00980 0.03278 0.01949 0.01726 30 2PX 0.08380 0.19042 -0.24938 0.03245 -0.53364 31 2PY 0.69792 0.39091 0.09183 -0.15386 0.44567 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.23454 0.18471 -0.58900 -0.36283 0.20008 34 3PX -0.22701 -0.52036 0.77041 -0.16240 1.92072 35 3PY -1.59617 -1.05694 0.22389 0.67268 -1.72070 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S -4.35917 -1.90167 4.81022 -0.08818 0.62457 38 4PX -2.00148 -0.28025 1.61682 -0.37543 0.45017 39 4PY -2.16706 -2.60474 -0.42154 -0.24024 -0.21124 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S 2.67423 0.76949 -0.79151 -1.62184 0.01322 42 5PX 0.44492 0.14203 -0.06362 -0.34251 0.00147 43 5PY 0.70120 0.02671 -0.19618 -0.14859 -0.15011 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.12911 -0.35722 0.80987 0.22165 0.18733 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 0.16687 -0.04787 0.18321 -0.02799 -1.06841 49 6D-2 0.58954 0.17253 0.48081 0.38947 -0.14525 50 7D 0 0.45089 0.20653 -0.90413 -0.23421 0.05845 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 -1.41343 0.73350 -0.39604 -0.22669 -0.02442 54 7D-2 -1.19226 -1.04883 -0.64244 -0.41761 0.17152 55 3 O 1S 0.00671 0.00705 -0.01373 -0.00290 0.01914 56 2S 0.02302 0.01302 -0.01822 -0.00160 0.03088 57 2PX 0.03565 -0.01841 -0.09071 -0.02115 0.17440 58 2PY 0.11782 -0.06792 0.16658 0.10628 -0.28414 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.38940 -0.04076 -0.02794 -0.14350 0.01198 61 3PX 0.04775 -0.00678 0.03995 -0.02515 -0.03824 62 3PY -0.32271 -0.11543 -0.12781 -0.04946 -0.09101 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.87405 -0.89353 -1.82736 0.21374 -1.59371 65 4PX 0.50570 -0.11503 -0.13811 -0.12443 0.39076 66 4PY 0.02325 -0.40865 -0.39971 0.49977 -1.29370 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 0.05727 -1.10307 -0.80810 0.21353 -0.22967 69 5PX 0.02756 0.28556 0.08105 0.11763 -0.09706 70 5PY 0.00120 -0.19389 -0.24304 -0.11888 0.23875 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00540 -0.01596 0.02150 0.00848 -0.04320 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.02402 -0.01439 0.04717 0.01690 -0.03419 76 6D-2 0.02262 -0.01205 0.03484 0.01285 -0.04601 77 7D 0 -0.23296 0.01308 -0.22761 -0.16495 0.27016 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 -0.25332 0.11833 -0.19029 -0.24570 0.43341 81 7D-2 0.16610 0.01041 -0.28665 -0.10916 0.36769 82 4 H 1S 0.22420 -0.27880 0.07934 0.02083 0.18675 83 2S 0.85306 -0.14299 -0.00286 -0.21177 1.51798 84 3S -0.44635 0.17661 0.30891 0.02990 -0.33709 85 4PX 0.35211 -0.19636 0.27771 0.01270 1.14825 86 4PY -0.26120 0.08380 -0.22983 -0.15305 -0.13506 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S 0.24840 0.07822 -0.23115 0.05413 -0.03397 89 2S -0.20938 -0.70573 -0.01067 0.55490 0.32958 90 3S 0.30562 -0.25662 -0.00295 -0.39729 -0.17183 91 4PX -0.02317 -0.01050 -0.08153 -0.02937 0.06638 92 4PY 0.04691 0.27628 0.06761 -0.25190 -0.05282 93 4PZ 0.05304 -0.01850 -0.01698 -0.48968 -0.10884 94 6 O 1S -0.00410 -0.00054 0.00196 0.00037 0.00207 95 2S -0.00896 -0.00100 0.01006 -0.01138 0.00437 96 2PX -0.01876 -0.00853 -0.17228 0.43909 0.00641 97 2PY 0.07697 -0.01018 -0.01998 -0.11318 -0.00697 98 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 3S 0.18676 -0.05257 -0.31944 0.41314 -0.06240 100 3PX 0.03910 -0.16184 0.08018 -0.41927 0.01179 101 3PY -0.04586 0.05465 0.01625 0.14064 -0.00308 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S -1.46471 1.25233 2.40163 -1.67361 0.18158 104 4PX 0.56849 -0.41931 -1.32227 1.64914 -0.10762 105 4PY 0.54146 -0.30650 -0.15180 -0.18898 -0.09218 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S -0.51766 0.30909 0.13869 -0.45829 0.16476 108 5PX 0.17307 -0.09441 0.13936 -0.26174 -0.05419 109 5PY -0.05079 0.23484 0.07596 0.04357 0.10648 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 0.00107 -0.00094 -0.00838 -0.00617 0.00419 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00042 -0.02100 -0.00577 -0.00019 0.00128 115 6D-2 -0.00932 -0.00289 0.01271 -0.01923 0.00043 116 7D 0 0.10976 -0.06719 -0.34134 0.39890 0.00525 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.07887 0.00149 0.14842 -0.59155 0.02701 120 7D-2 -0.20818 0.01883 -0.06815 0.23381 0.02120 121 7 H 1S 0.15315 -0.22733 -0.16609 -0.07616 0.02367 122 2S 0.31211 0.26167 -0.27267 0.29090 -0.06656 123 3S 0.10541 -0.07767 0.05239 -0.08636 0.14275 124 4PX -0.05486 -0.23475 0.02451 -0.06703 -0.03559 125 4PY 0.13904 0.07026 -0.14481 0.10234 -0.01422 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.24840 0.07822 -0.23115 0.05413 -0.03397 128 2S -0.20938 -0.70573 -0.01067 0.55490 0.32958 129 3S 0.30562 -0.25662 -0.00295 -0.39729 -0.17183 130 4PX -0.02317 -0.01050 -0.08153 -0.02937 0.06638 131 4PY 0.04691 0.27628 0.06761 -0.25190 -0.05282 132 4PZ -0.05304 0.01850 0.01698 0.48968 0.10884 111 112 113 114 115 V V V V V Eigenvalues -- 4.15452 4.36194 4.96833 5.02361 5.10656 1 1 C 1S 0.00000 0.00686 0.00000 0.00000 -0.01236 2 2S 0.00000 -0.01125 0.00000 0.00000 -0.01122 3 2PX 0.00000 -0.32279 0.00000 0.00000 -0.05109 4 2PY 0.00000 -0.65802 0.00000 0.00000 0.01698 5 2PZ -0.74581 0.00000 0.05004 0.01180 0.00000 6 3S 0.00000 0.17727 0.00000 0.00000 0.11260 7 3PX 0.00000 0.79171 0.00000 0.00000 0.14271 8 3PY 0.00000 1.93286 0.00000 0.00000 -0.18132 9 3PZ 2.61500 0.00000 -0.14617 -0.08807 0.00000 10 4S 0.00000 -0.29658 0.00000 0.00000 0.76170 11 4PX 0.00000 0.54607 0.00000 0.00000 -0.43317 12 4PY 0.00000 0.31486 0.00000 0.00000 0.05090 13 4PZ 0.58945 0.00000 0.03703 -0.46090 0.00000 14 5S 0.00000 -0.29398 0.00000 0.00000 -1.84914 15 5PX 0.00000 0.13343 0.00000 0.00000 0.24431 16 5PY 0.00000 -0.05518 0.00000 0.00000 0.29346 17 5PZ -0.23227 0.00000 -0.16391 0.33554 0.00000 18 6D 0 0.00000 0.55395 0.00000 0.00000 -0.13346 19 6D+1 -0.35574 0.00000 -0.02247 -0.01595 0.00000 20 6D-1 1.07840 0.00000 -0.03474 0.00471 0.00000 21 6D+2 0.00000 -0.03773 0.00000 0.00000 0.06158 22 6D-2 0.00000 -0.56922 0.00000 0.00000 -0.05823 23 7D 0 0.00000 0.12665 0.00000 0.00000 0.12333 24 7D+1 -0.29491 0.00000 0.03287 0.16653 0.00000 25 7D-1 0.49294 0.00000 -0.06274 -0.08956 0.00000 26 7D+2 0.00000 0.21871 0.00000 0.00000 0.22417 27 7D-2 0.00000 -0.42786 0.00000 0.00000 0.18590 28 2 C 1S 0.00000 -0.01490 0.00000 0.00000 -0.00406 29 2S 0.00000 -0.00047 0.00000 0.00000 -0.00556 30 2PX 0.00000 -0.50925 0.00000 0.00000 0.01215 31 2PY 0.00000 -0.55929 0.00000 0.00000 -0.02478 32 2PZ 0.09042 0.00000 0.02207 0.01678 0.00000 33 3S 0.00000 -0.18925 0.00000 0.00000 0.05196 34 3PX 0.00000 1.44326 0.00000 0.00000 -0.06686 35 3PY 0.00000 1.57909 0.00000 0.00000 0.09549 36 3PZ -0.18711 0.00000 -0.04100 -0.02628 0.00000 37 4S 0.00000 -0.12367 0.00000 0.00000 -0.13507 38 4PX 0.00000 -0.20163 0.00000 0.00000 -0.39847 39 4PY 0.00000 0.82530 0.00000 0.00000 -0.71689 40 4PZ -0.11158 0.00000 0.08942 0.28220 0.00000 41 5S 0.00000 0.15354 0.00000 0.00000 1.89954 42 5PX 0.00000 -0.15517 0.00000 0.00000 0.51006 43 5PY 0.00000 0.16517 0.00000 0.00000 0.66720 44 5PZ 0.06725 0.00000 -0.07700 -0.37846 0.00000 45 6D 0 0.00000 -0.17817 0.00000 0.00000 -0.02539 46 6D+1 -0.03967 0.00000 -0.04237 -0.05355 0.00000 47 6D-1 -0.10082 0.00000 0.10323 0.09902 0.00000 48 6D+2 0.00000 -0.21694 0.00000 0.00000 0.06766 49 6D-2 0.00000 0.57593 0.00000 0.00000 -0.05512 50 7D 0 0.00000 0.13443 0.00000 0.00000 0.00861 51 7D+1 -0.05788 0.00000 0.02688 0.04197 0.00000 52 7D-1 -0.15453 0.00000 -0.06242 0.05883 0.00000 53 7D+2 0.00000 -0.04094 0.00000 0.00000 0.26719 54 7D-2 0.00000 0.73918 0.00000 0.00000 -0.24150 55 3 O 1S 0.00000 -0.00561 0.00000 0.00000 0.00058 56 2S 0.00000 -0.01030 0.00000 0.00000 0.00096 57 2PX 0.00000 -0.00048 0.00000 0.00000 1.12407 58 2PY 0.00000 0.16619 0.00000 0.00000 0.45671 59 2PZ -0.03241 0.00000 -0.77314 -1.01138 0.00000 60 3S 0.00000 0.02682 0.00000 0.00000 -0.00775 61 3PX 0.00000 -0.06353 0.00000 0.00000 -1.44699 62 3PY 0.00000 -0.01755 0.00000 0.00000 -0.57762 63 3PZ 0.02615 0.00000 0.94092 1.25744 0.00000 64 4S 0.00000 1.31982 0.00000 0.00000 -0.01863 65 4PX 0.00000 -0.12707 0.00000 0.00000 0.87359 66 4PY 0.00000 0.80361 0.00000 0.00000 0.40154 67 4PZ -0.03866 0.00000 -0.60812 -0.81091 0.00000 68 5S 0.00000 0.45749 0.00000 0.00000 -0.49869 69 5PX 0.00000 0.04450 0.00000 0.00000 -0.42739 70 5PY 0.00000 -0.05724 0.00000 0.00000 -0.43929 71 5PZ 0.00889 0.00000 0.25109 0.43391 0.00000 72 6D 0 0.00000 0.01326 0.00000 0.00000 -0.00823 73 6D+1 0.00826 0.00000 0.00199 -0.00085 0.00000 74 6D-1 0.00334 0.00000 -0.01284 -0.01042 0.00000 75 6D+2 0.00000 0.00980 0.00000 0.00000 -0.00029 76 6D-2 0.00000 0.00542 0.00000 0.00000 0.00527 77 7D 0 0.00000 -0.06780 0.00000 0.00000 -0.01097 78 7D+1 0.03603 0.00000 -0.00634 -0.01291 0.00000 79 7D-1 -0.01107 0.00000 0.00403 0.02171 0.00000 80 7D+2 0.00000 -0.15612 0.00000 0.00000 0.02638 81 7D-2 0.00000 -0.07987 0.00000 0.00000 -0.05804 82 4 H 1S 0.00000 0.18222 0.00000 0.00000 -0.06424 83 2S 0.00000 0.69355 0.00000 0.00000 -0.26337 84 3S 0.00000 -0.40567 0.00000 0.00000 -0.14950 85 4PX 0.00000 0.47141 0.00000 0.00000 -0.09478 86 4PY 0.00000 -0.04431 0.00000 0.00000 -0.01405 87 4PZ 0.01552 0.00000 0.00364 -0.03208 0.00000 88 5 H 1S -0.23178 -0.09478 0.01277 -0.00371 0.01880 89 2S -1.81447 -0.67611 0.07613 0.28179 -0.03581 90 3S 0.38676 0.20515 0.05383 -0.01115 -0.13061 91 4PX -0.27196 -0.14643 0.04130 -0.03358 -0.02403 92 4PY 0.74807 0.15121 -0.03877 -0.03639 0.01781 93 4PZ 0.84359 0.44856 -0.05988 -0.01911 -0.07443 94 6 O 1S 0.00000 0.00262 0.00000 0.00000 0.00085 95 2S 0.00000 0.00458 0.00000 0.00000 0.00087 96 2PX 0.00000 0.07855 0.00000 0.00000 -0.34962 97 2PY 0.00000 -0.05643 0.00000 0.00000 -0.14924 98 2PZ -0.03635 0.00000 -1.01076 0.78037 0.00000 99 3S 0.00000 -0.01068 0.00000 0.00000 0.04739 100 3PX 0.00000 -0.03840 0.00000 0.00000 0.42302 101 3PY 0.00000 0.09382 0.00000 0.00000 0.22637 102 3PZ 0.05574 0.00000 1.22777 -0.96957 0.00000 103 4S 0.00000 -0.47838 0.00000 0.00000 -0.26108 104 4PX 0.00000 0.22672 0.00000 0.00000 -0.16124 105 4PY 0.00000 -0.28740 0.00000 0.00000 -0.24266 106 4PZ -0.22210 0.00000 -0.75511 0.60490 0.00000 107 5S 0.00000 0.09069 0.00000 0.00000 0.33213 108 5PX 0.00000 -0.01743 0.00000 0.00000 -0.10104 109 5PY 0.00000 -0.06323 0.00000 0.00000 0.10238 110 5PZ 0.06328 0.00000 0.34096 -0.29927 0.00000 111 6D 0 0.00000 -0.01763 0.00000 0.00000 0.00251 112 6D+1 0.00701 0.00000 0.01375 -0.00668 0.00000 113 6D-1 -0.01847 0.00000 0.00173 0.01142 0.00000 114 6D+2 0.00000 -0.00197 0.00000 0.00000 -0.00918 115 6D-2 0.00000 0.02520 0.00000 0.00000 0.03397 116 7D 0 0.00000 -0.00404 0.00000 0.00000 0.07088 117 7D+1 0.12314 0.00000 0.01062 0.00962 0.00000 118 7D-1 -0.09255 0.00000 0.00384 0.01217 0.00000 119 7D+2 0.00000 0.00116 0.00000 0.00000 0.00947 120 7D-2 0.00000 0.17460 0.00000 0.00000 0.13382 121 7 H 1S 0.00000 -0.04403 0.00000 0.00000 0.11009 122 2S 0.00000 0.07185 0.00000 0.00000 -0.08265 123 3S 0.00000 -0.22320 0.00000 0.00000 0.23749 124 4PX 0.00000 0.02166 0.00000 0.00000 0.07572 125 4PY 0.00000 0.06118 0.00000 0.00000 0.14108 126 4PZ -0.00311 0.00000 -0.01120 0.01738 0.00000 127 8 H 1S 0.23178 -0.09478 -0.01277 0.00371 0.01880 128 2S 1.81447 -0.67611 -0.07613 -0.28179 -0.03581 129 3S -0.38676 0.20515 -0.05383 0.01115 -0.13061 130 4PX 0.27196 -0.14643 -0.04130 0.03358 -0.02403 131 4PY -0.74807 0.15121 0.03877 0.03639 0.01781 132 4PZ 0.84359 -0.44856 -0.05988 -0.01911 0.07443 116 117 118 119 120 V V V V V Eigenvalues -- 5.50387 5.75711 5.96268 6.75963 6.80685 1 1 C 1S 0.00619 0.01741 0.00268 0.00000 -0.00453 2 2S -0.00345 0.00677 0.00529 0.00000 -0.00288 3 2PX 0.31703 0.30066 -0.20971 0.00000 0.00091 4 2PY -0.17267 -0.05258 -0.04356 0.00000 0.05883 5 2PZ 0.00000 0.00000 0.00000 0.04250 0.00000 6 3S 0.22096 -0.00769 -0.12009 0.00000 0.06253 7 3PX -1.01146 -1.01094 0.70574 0.00000 -0.02675 8 3PY 0.44664 0.25138 0.22401 0.00000 -0.25339 9 3PZ 0.00000 0.00000 0.00000 -0.14174 0.00000 10 4S -0.61977 1.15988 0.00037 0.00000 0.25305 11 4PX -0.88714 -0.29667 0.55397 0.00000 -0.04308 12 4PY 0.47905 -0.15579 -0.04650 0.00000 -0.05970 13 4PZ 0.00000 0.00000 0.00000 -0.19872 0.00000 14 5S -0.08926 0.53158 -0.80575 0.00000 0.07027 15 5PX 0.43208 -0.11039 -0.04267 0.00000 -0.02507 16 5PY -0.04331 -0.13119 0.24640 0.00000 -0.02300 17 5PZ 0.00000 0.00000 0.00000 0.00438 0.00000 18 6D 0 0.08365 0.18684 0.00893 0.00000 -0.02070 19 6D+1 0.00000 0.00000 0.00000 -0.00758 0.00000 20 6D-1 0.00000 0.00000 0.00000 -0.01163 0.00000 21 6D+2 -0.19034 -0.30484 0.12992 0.00000 -0.02000 22 6D-2 0.08319 0.11530 -0.12942 0.00000 0.02559 23 7D 0 0.48564 0.18675 -0.16937 0.00000 -0.09343 24 7D+1 0.00000 0.00000 0.00000 0.12589 0.00000 25 7D-1 0.00000 0.00000 0.00000 0.03580 0.00000 26 7D+2 -0.02966 -0.16571 0.21482 0.00000 -0.05538 27 7D-2 0.36350 0.21493 -0.34353 0.00000 0.01052 28 2 C 1S 0.00651 0.02380 0.06233 0.00000 0.00177 29 2S 0.00806 0.02922 0.08568 0.00000 -0.00298 30 2PX 0.05168 0.08170 0.04543 0.00000 -0.01520 31 2PY 0.01100 0.01394 -0.28258 0.00000 0.06027 32 2PZ 0.00000 0.00000 0.00000 -0.00355 0.00000 33 3S -0.17087 -0.25612 -0.94752 0.00000 0.08824 34 3PX -0.34468 -0.49751 -0.66054 0.00000 0.14933 35 3PY 0.14250 0.39179 2.23480 0.00000 -0.32457 36 3PZ 0.00000 0.00000 0.00000 0.00774 0.00000 37 4S 0.54627 -1.35374 -1.87290 0.00000 -0.17370 38 4PX 0.18871 -0.58232 -0.24748 0.00000 0.18161 39 4PY -0.39713 -0.09430 1.17066 0.00000 -0.39094 40 4PZ 0.00000 0.00000 0.00000 0.12405 0.00000 41 5S 0.32591 -0.47009 0.87114 0.00000 -0.01090 42 5PX -0.00831 -0.03007 0.34409 0.00000 0.00647 43 5PY 0.25311 -0.18491 -0.06686 0.00000 0.01674 44 5PZ 0.00000 0.00000 0.00000 -0.01071 0.00000 45 6D 0 0.06731 0.10569 0.23913 0.00000 -0.01534 46 6D+1 0.00000 0.00000 0.00000 -0.03251 0.00000 47 6D-1 0.00000 0.00000 0.00000 -0.02201 0.00000 48 6D+2 0.03947 0.19236 0.46053 0.00000 -0.02828 49 6D-2 0.00343 0.06403 0.39605 0.00000 -0.00215 50 7D 0 -0.22039 0.05931 0.26727 0.00000 0.15486 51 7D+1 0.00000 0.00000 0.00000 0.20855 0.00000 52 7D-1 0.00000 0.00000 0.00000 0.13206 0.00000 53 7D+2 0.74343 0.45010 0.41007 0.00000 -0.30774 54 7D-2 -0.31247 -0.17418 0.63054 0.00000 -0.23360 55 3 O 1S -0.00173 -0.00468 -0.01841 0.00000 0.00351 56 2S -0.00313 -0.00636 -0.02528 0.00000 0.00508 57 2PX 0.39458 0.24658 0.37867 0.00000 -0.02299 58 2PY 0.03052 -0.34599 -1.14005 0.00000 0.08022 59 2PZ 0.00000 0.00000 0.00000 -0.00880 0.00000 60 3S 0.02195 -0.04452 -0.12146 0.00000 -0.02750 61 3PX -0.58884 -0.38201 -0.66304 0.00000 0.05934 62 3PY -0.02162 0.56296 1.97852 0.00000 -0.18610 63 3PZ 0.00000 0.00000 0.00000 0.01657 0.00000 64 4S 0.04714 1.02400 3.52859 0.00000 -0.58558 65 4PX 0.08201 -0.12095 -0.27976 0.00000 0.04929 66 4PY 0.09992 0.26217 0.93941 0.00000 -0.15193 67 4PZ 0.00000 0.00000 0.00000 -0.00897 0.00000 68 5S -0.34426 0.12292 0.02161 0.00000 0.05987 69 5PX -0.12957 0.10638 -0.15564 0.00000 0.04399 70 5PY -0.20373 0.14260 0.25759 0.00000 0.03480 71 5PZ 0.00000 0.00000 0.00000 -0.01645 0.00000 72 6D 0 -0.01224 0.02366 0.07046 0.00000 0.91185 73 6D+1 0.00000 0.00000 0.00000 1.05543 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.40082 0.00000 75 6D+2 0.02546 0.00529 -0.00720 0.00000 -0.47266 76 6D-2 -0.01954 -0.03236 0.02808 0.00000 -0.38084 77 7D 0 -0.02805 -0.11808 -0.43028 0.00000 -0.45718 78 7D+1 0.00000 0.00000 0.00000 -0.54492 0.00000 79 7D-1 0.00000 0.00000 0.00000 -0.20317 0.00000 80 7D+2 0.00064 -0.15023 -0.59830 0.00000 0.30589 81 7D-2 -0.14566 -0.18900 -0.46841 0.00000 0.24766 82 4 H 1S -0.12728 -0.07158 -0.06184 0.00000 0.01183 83 2S -0.68363 -0.47444 -0.17414 0.00000 0.43291 84 3S 0.16895 0.06824 0.13446 0.00000 0.00664 85 4PX -0.21122 -0.17215 -0.15167 0.00000 0.10696 86 4PY 0.05871 0.03809 0.06073 0.00000 -0.08759 87 4PZ 0.00000 0.00000 0.00000 0.06613 0.00000 88 5 H 1S -0.07411 -0.03426 0.02389 0.00655 0.01019 89 2S -0.31164 -0.42148 0.05622 0.11289 0.08022 90 3S -0.03675 -0.01973 0.04678 0.00787 -0.01866 91 4PX -0.00242 -0.00190 -0.01184 -0.01685 0.00960 92 4PY 0.14273 0.09833 -0.05117 -0.03976 -0.03975 93 4PZ 0.09523 0.15241 0.00470 -0.01990 -0.01715 94 6 O 1S -0.01011 0.00654 -0.00180 0.00000 0.00133 95 2S -0.01453 0.01415 -0.00489 0.00000 0.00180 96 2PX 0.88147 0.68587 -0.31400 0.00000 0.00708 97 2PY 0.81731 -0.95904 0.24320 0.00000 0.00905 98 2PZ 0.00000 0.00000 0.00000 0.00087 0.00000 99 3S -0.15107 -0.10210 0.09288 0.00000 -0.02124 100 3PX -1.23974 -1.00587 0.49192 0.00000 -0.00089 101 3PY -1.29613 1.58739 -0.42073 0.00000 -0.02531 102 3PZ 0.00000 0.00000 0.00000 -0.00238 0.00000 103 4S 2.55424 -0.47282 -0.53598 0.00000 0.09285 104 4PX -0.12845 0.03666 0.21716 0.00000 0.00144 105 4PY 0.02997 0.20898 -0.19160 0.00000 0.01212 106 4PZ 0.00000 0.00000 0.00000 -0.02502 0.00000 107 5S -0.71292 0.15319 -0.06994 0.00000 -0.12517 108 5PX -0.26165 0.01131 0.04872 0.00000 0.10027 109 5PY -0.02095 -0.00969 0.05101 0.00000 0.01042 110 5PZ 0.00000 0.00000 0.00000 0.04425 0.00000 111 6D 0 -0.01926 0.01450 -0.00848 0.00000 -0.26719 112 6D+1 0.00000 0.00000 0.00000 -0.02890 0.00000 113 6D-1 0.00000 0.00000 0.00000 -0.09633 0.00000 114 6D+2 -0.00169 0.09549 -0.06213 0.00000 -0.06555 115 6D-2 0.01683 -0.00864 0.03492 0.00000 0.11779 116 7D 0 -0.36176 0.10838 0.01848 0.00000 0.14013 117 7D+1 0.00000 0.00000 0.00000 0.01734 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.05087 0.00000 119 7D+2 -0.11807 0.66640 -0.24830 0.00000 0.02318 120 7D-2 -0.06182 -0.08540 0.07111 0.00000 -0.06438 121 7 H 1S -0.23724 0.39559 -0.08251 0.00000 0.05881 122 2S -1.08607 1.14105 -0.37326 0.00000 -0.07401 123 3S 0.52171 -0.46451 0.16504 0.00000 -0.07820 124 4PX 0.11707 0.01455 0.02707 0.00000 0.02077 125 4PY -0.70978 0.89161 -0.24300 0.00000 -0.03197 126 4PZ 0.00000 0.00000 0.00000 0.02262 0.00000 127 8 H 1S -0.07411 -0.03426 0.02389 -0.00655 0.01019 128 2S -0.31164 -0.42148 0.05622 -0.11289 0.08022 129 3S -0.03675 -0.01973 0.04678 -0.00787 -0.01866 130 4PX -0.00242 -0.00190 -0.01184 0.01685 0.00960 131 4PY 0.14273 0.09833 -0.05117 0.03976 -0.03975 132 4PZ -0.09523 -0.15241 -0.00470 -0.01990 0.01715 121 122 123 124 125 V V V V V Eigenvalues -- 6.86287 6.95269 6.98685 7.05153 7.13725 1 1 C 1S 0.00000 0.00000 0.00089 0.00000 -0.00389 2 2S 0.00000 0.00000 0.00290 0.00000 -0.00301 3 2PX 0.00000 0.00000 0.03392 0.00000 -0.01804 4 2PY 0.00000 0.00000 -0.03874 0.00000 0.08833 5 2PZ -0.04039 -0.07397 0.00000 0.04063 0.00000 6 3S 0.00000 0.00000 0.10719 0.00000 0.03667 7 3PX 0.00000 0.00000 -0.29513 0.00000 0.16548 8 3PY 0.00000 0.00000 0.07793 0.00000 -0.32605 9 3PZ 0.17815 0.30162 0.00000 -0.16998 0.00000 10 4S 0.00000 0.00000 -1.08119 0.00000 0.14293 11 4PX 0.00000 0.00000 -0.38199 0.00000 0.33572 12 4PY 0.00000 0.00000 0.36441 0.00000 -0.45115 13 4PZ 0.04612 0.32195 0.00000 -0.23979 0.00000 14 5S 0.00000 0.00000 -0.50191 0.00000 0.64382 15 5PX 0.00000 0.00000 0.01247 0.00000 -0.08476 16 5PY 0.00000 0.00000 0.05358 0.00000 -0.08170 17 5PZ -0.04972 0.00327 0.00000 0.01899 0.00000 18 6D 0 0.00000 0.00000 -0.02369 0.00000 -0.01965 19 6D+1 -0.02493 0.01378 0.00000 0.02001 0.00000 20 6D-1 -0.01550 -0.00655 0.00000 -0.01278 0.00000 21 6D+2 0.00000 0.00000 -0.02674 0.00000 0.05589 22 6D-2 0.00000 0.00000 0.00885 0.00000 -0.03288 23 7D 0 0.00000 0.00000 0.30372 0.00000 -0.17749 24 7D+1 -0.07245 0.06993 0.00000 -0.49177 0.00000 25 7D-1 0.39643 0.25035 0.00000 0.01049 0.00000 26 7D+2 0.00000 0.00000 -0.08460 0.00000 -0.32517 27 7D-2 0.00000 0.00000 -0.01611 0.00000 -0.35458 28 2 C 1S 0.00000 0.00000 -0.00551 0.00000 0.00181 29 2S 0.00000 0.00000 -0.00223 0.00000 -0.00531 30 2PX 0.00000 0.00000 -0.03935 0.00000 0.06723 31 2PY 0.00000 0.00000 0.00575 0.00000 -0.00542 32 2PZ -0.02058 -0.02927 0.00000 -0.00245 0.00000 33 3S 0.00000 0.00000 0.06844 0.00000 0.07249 34 3PX 0.00000 0.00000 0.24106 0.00000 -0.17190 35 3PY 0.00000 0.00000 0.07616 0.00000 -0.11135 36 3PZ 0.03579 0.22878 0.00000 0.10207 0.00000 37 4S 0.00000 0.00000 0.20973 0.00000 0.81992 38 4PX 0.00000 0.00000 0.06955 0.00000 0.14873 39 4PY 0.00000 0.00000 -0.09869 0.00000 -0.10281 40 4PZ 0.02203 0.11268 0.00000 0.13925 0.00000 41 5S 0.00000 0.00000 0.35333 0.00000 -0.54918 42 5PX 0.00000 0.00000 0.02315 0.00000 -0.06222 43 5PY 0.00000 0.00000 0.10478 0.00000 -0.19526 44 5PZ 0.01143 -0.04289 0.00000 -0.04199 0.00000 45 6D 0 0.00000 0.00000 -0.01510 0.00000 0.03843 46 6D+1 -0.00683 0.00988 0.00000 -0.01216 0.00000 47 6D-1 0.00354 -0.01465 0.00000 -0.00672 0.00000 48 6D+2 0.00000 0.00000 0.01057 0.00000 0.00182 49 6D-2 0.00000 0.00000 0.03407 0.00000 -0.02285 50 7D 0 0.00000 0.00000 0.04402 0.00000 -0.16447 51 7D+1 0.09942 0.12182 0.00000 0.13761 0.00000 52 7D-1 0.07028 -0.25156 0.00000 -0.35494 0.00000 53 7D+2 0.00000 0.00000 -0.05339 0.00000 -0.19017 54 7D-2 0.00000 0.00000 -0.23803 0.00000 -0.18538 55 3 O 1S 0.00000 0.00000 0.00286 0.00000 -0.00304 56 2S 0.00000 0.00000 0.00473 0.00000 -0.00471 57 2PX 0.00000 0.00000 0.00379 0.00000 -0.04944 58 2PY 0.00000 0.00000 0.01430 0.00000 -0.00542 59 2PZ 0.01676 -0.01312 0.00000 -0.01079 0.00000 60 3S 0.00000 0.00000 -0.06664 0.00000 0.06687 61 3PX 0.00000 0.00000 -0.00666 0.00000 0.10301 62 3PY 0.00000 0.00000 -0.04968 0.00000 0.01030 63 3PZ -0.02900 0.02374 0.00000 0.02002 0.00000 64 4S 0.00000 0.00000 -0.09105 0.00000 -0.66922 65 4PX 0.00000 0.00000 -0.09447 0.00000 -0.03951 66 4PY 0.00000 0.00000 -0.00320 0.00000 -0.41377 67 4PZ 0.04744 -0.31491 0.00000 -0.34735 0.00000 68 5S 0.00000 0.00000 -0.05112 0.00000 -0.29726 69 5PX 0.00000 0.00000 -0.00834 0.00000 0.03753 70 5PY 0.00000 0.00000 -0.03237 0.00000 -0.04050 71 5PZ -0.00837 0.02373 0.00000 0.04317 0.00000 72 6D 0 0.00000 0.00000 0.24007 0.00000 -0.20694 73 6D+1 0.15785 -0.30507 0.00000 -0.24880 0.00000 74 6D-1 -0.13778 0.88036 0.00000 0.62777 0.00000 75 6D+2 0.00000 0.00000 -0.28507 0.00000 -0.17963 76 6D-2 0.00000 0.00000 0.19165 0.00000 0.12575 77 7D 0 0.00000 0.00000 -0.15931 0.00000 0.15994 78 7D+1 -0.09609 0.20764 0.00000 0.18660 0.00000 79 7D-1 0.07712 -0.60467 0.00000 -0.47811 0.00000 80 7D+2 0.00000 0.00000 0.20037 0.00000 0.14473 81 7D-2 0.00000 0.00000 -0.14827 0.00000 -0.05928 82 4 H 1S 0.00000 0.00000 -0.00737 0.00000 0.00832 83 2S 0.00000 0.00000 0.13978 0.00000 -0.20719 84 3S 0.00000 0.00000 -0.09830 0.00000 0.15655 85 4PX 0.00000 0.00000 0.04572 0.00000 -0.08361 86 4PY 0.00000 0.00000 -0.09287 0.00000 -0.05322 87 4PZ 0.02666 0.02297 0.00000 0.05108 0.00000 88 5 H 1S -0.03545 -0.03600 -0.04100 -0.02483 0.00029 89 2S -0.32904 -0.31367 -0.02619 0.07780 0.16048 90 3S 0.10660 -0.01659 -0.00648 0.05717 0.05102 91 4PX -0.02605 -0.08043 0.00517 0.14341 0.05546 92 4PY 0.02088 0.04279 0.03653 -0.02170 -0.06764 93 4PZ 0.09030 0.06286 -0.01371 -0.00235 -0.00835 94 6 O 1S 0.00000 0.00000 0.00302 0.00000 -0.00375 95 2S 0.00000 0.00000 0.00695 0.00000 -0.00639 96 2PX 0.00000 0.00000 0.00377 0.00000 -0.01882 97 2PY 0.00000 0.00000 0.07594 0.00000 0.03186 98 2PZ 0.00456 -0.02176 0.00000 0.01967 0.00000 99 3S 0.00000 0.00000 -0.21337 0.00000 0.11909 100 3PX 0.00000 0.00000 0.01267 0.00000 0.00491 101 3PY 0.00000 0.00000 -0.17011 0.00000 -0.06393 102 3PZ -0.00270 0.04919 0.00000 -0.05081 0.00000 103 4S 0.00000 0.00000 1.42587 0.00000 -0.53586 104 4PX 0.00000 0.00000 -0.54036 0.00000 0.50663 105 4PY 0.00000 0.00000 -0.47012 0.00000 0.46062 106 4PZ 0.13764 -0.12813 0.00000 0.35470 0.00000 107 5S 0.00000 0.00000 0.39808 0.00000 -0.55814 108 5PX 0.00000 0.00000 -0.18032 0.00000 0.07141 109 5PY 0.00000 0.00000 0.16385 0.00000 0.05182 110 5PZ -0.00728 -0.03127 0.00000 -0.02289 0.00000 111 6D 0 0.00000 0.00000 1.02369 0.00000 -0.29891 112 6D+1 0.55738 -0.51134 0.00000 0.87713 0.00000 113 6D-1 0.97820 0.46320 0.00000 -0.37366 0.00000 114 6D+2 0.00000 0.00000 0.34006 0.00000 0.55766 115 6D-2 0.00000 0.00000 0.10483 0.00000 0.94370 116 7D 0 0.00000 0.00000 -0.76648 0.00000 0.24187 117 7D+1 -0.31653 0.32290 0.00000 -0.63048 0.00000 118 7D-1 -0.58808 -0.30470 0.00000 0.27337 0.00000 119 7D+2 0.00000 0.00000 -0.33157 0.00000 -0.44648 120 7D-2 0.00000 0.00000 -0.11189 0.00000 -0.74331 121 7 H 1S 0.00000 0.00000 -0.17218 0.00000 -0.05929 122 2S 0.00000 0.00000 -0.92969 0.00000 0.22772 123 3S 0.00000 0.00000 0.35584 0.00000 0.22930 124 4PX 0.00000 0.00000 0.00459 0.00000 -0.22818 125 4PY 0.00000 0.00000 -0.26800 0.00000 0.03390 126 4PZ -0.18127 -0.06280 0.00000 0.03461 0.00000 127 8 H 1S 0.03545 0.03600 -0.04100 0.02483 0.00029 128 2S 0.32904 0.31367 -0.02619 -0.07780 0.16048 129 3S -0.10660 0.01659 -0.00648 -0.05717 0.05102 130 4PX 0.02605 0.08043 0.00517 -0.14341 0.05546 131 4PY -0.02088 -0.04279 0.03653 0.02170 -0.06764 132 4PZ 0.09030 0.06286 0.01371 -0.00235 0.00835 126 127 128 129 130 V V V V V Eigenvalues -- 7.16727 7.18199 7.32565 23.91227 24.00860 1 1 C 1S -0.00695 0.00982 -0.02866 -1.56536 -1.30767 2 2S -0.00985 0.00994 -0.02923 1.72292 1.44567 3 2PX 0.03436 -0.06215 -0.09172 -0.01410 0.01518 4 2PY -0.06574 0.00720 -0.00100 -0.01313 0.04104 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.18899 -0.17849 0.22652 -0.58373 -0.60183 7 3PX -0.02252 0.16759 0.92880 0.00809 -0.01324 8 3PY 0.08816 0.12787 -0.15873 -0.00315 -0.10261 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 0.06159 -1.17707 2.19961 -0.12730 0.09370 11 4PX -0.16160 0.03265 0.92592 0.03642 0.04944 12 4PY 0.27040 0.17456 -0.22281 -0.02552 -0.26772 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.52468 -0.89703 2.26948 0.41432 -0.32114 15 5PX -0.18514 0.02650 -0.23658 -0.12760 0.08138 16 5PY -0.09034 0.16308 -0.57539 -0.04295 0.11167 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 -0.00683 0.01799 -0.09757 0.00268 0.01400 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 0.02995 -0.00701 0.12326 -0.00290 0.00048 22 6D-2 0.00176 -0.00282 -0.09273 0.01829 0.01033 23 7D 0 0.03006 0.01380 -0.11012 -0.02898 -0.19026 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 0.27882 -0.22779 0.38538 -0.01530 -0.00758 27 7D-2 0.20375 -0.19877 -0.18902 -0.03021 0.05777 28 2 C 1S -0.00080 0.00290 0.00146 1.30606 -1.56879 29 2S -0.02850 -0.02503 0.00610 -1.44049 1.73783 30 2PX 0.02427 -0.00149 -0.00347 -0.02229 -0.01900 31 2PY -0.04456 -0.05109 -0.04223 -0.00548 -0.05289 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.49797 0.45210 -0.06227 0.55211 -0.76631 34 3PX 0.20918 0.12129 -0.07099 0.10371 -0.01023 35 3PY -0.42616 -0.47268 0.36685 -0.22580 0.36775 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 2.05763 2.07611 -1.37903 0.39597 -0.76927 38 4PX 0.72517 0.25296 -0.51874 0.13502 -0.10103 39 4PY -0.93786 -0.36214 0.50172 -0.13063 0.37936 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.15812 0.95150 -2.01549 -0.33806 0.40109 42 5PX 0.11122 0.19682 -0.37741 0.02379 0.02023 43 5PY -0.27806 0.12987 -0.22340 -0.10825 0.10505 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.03023 0.03458 -0.00804 -0.04478 0.05618 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 0.01770 0.07080 0.00131 -0.02694 0.03802 49 6D-2 0.02352 0.03505 0.05299 -0.03491 0.03473 50 7D 0 -0.22391 -0.15666 0.13547 -0.09884 0.15880 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 0.46984 -0.80468 0.00837 -0.13016 -0.06140 54 7D-2 -0.51241 0.43938 0.30199 0.04811 0.29923 55 3 O 1S -0.00902 -0.00560 0.00230 0.00146 -0.00639 56 2S -0.01578 -0.00974 0.00405 -0.00083 0.00117 57 2PX 0.01489 -0.02722 0.03787 -0.02241 0.01883 58 2PY 0.01890 0.01503 -0.03719 0.04503 -0.07222 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.28909 0.17991 -0.10144 0.08441 -0.07690 61 3PX -0.03915 0.05005 -0.08913 0.06123 -0.05037 62 3PY -0.00720 -0.02451 0.08248 -0.11636 0.20724 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -1.60252 -1.39926 1.04501 -0.68005 1.01412 65 4PX -0.08354 0.87774 0.07575 0.16912 -0.08813 66 4PY -1.22768 -0.74448 0.63871 -0.37084 0.51017 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S -1.44032 -0.95069 0.87779 -0.05841 0.14794 69 5PX 0.10908 -0.11974 -0.04482 -0.04289 -0.04332 70 5PY -0.26098 -0.26340 0.17720 0.05802 -0.03097 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 -0.46374 -0.40633 0.11806 -0.01433 0.00656 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 -1.00218 -0.04392 0.20961 -0.00598 0.01536 76 6D-2 0.12105 -1.07026 -0.17542 -0.00998 0.00118 77 7D 0 0.41508 0.35525 -0.14080 0.10763 -0.11185 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.87562 0.03607 -0.25769 0.10067 -0.17536 81 7D-2 -0.09111 0.93585 0.10843 0.11241 -0.08843 82 4 H 1S -0.06619 0.08082 0.02465 0.02594 -0.00423 83 2S -0.42528 0.28938 0.07056 -0.06574 0.42387 84 3S 0.40329 -0.16759 -0.13545 0.08848 -0.17695 85 4PX -0.10113 0.07045 0.02469 -0.05441 0.16436 86 4PY -0.01662 0.08866 0.04804 0.03064 -0.00373 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.01780 0.00752 0.02320 -0.01538 0.00475 89 2S 0.03106 0.02494 -0.06756 0.22198 0.27142 90 3S -0.14150 0.08458 -0.18436 -0.09376 -0.03374 91 4PX -0.01699 0.01314 -0.02822 0.02780 0.04170 92 4PY 0.02081 -0.01930 0.01735 -0.06900 -0.07644 93 4PZ -0.01350 0.02520 -0.04378 -0.09331 -0.09409 94 6 O 1S -0.00277 0.00412 -0.00892 0.00639 0.00453 95 2S -0.00457 0.00662 -0.01578 -0.00016 -0.00015 96 2PX 0.01003 -0.04640 -0.10967 0.01607 0.01520 97 2PY 0.00562 0.02337 0.10999 -0.00883 -0.00525 98 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 3S 0.05699 -0.10894 0.25422 -0.07675 -0.05755 100 3PX -0.03503 0.11205 0.13659 -0.00549 -0.00764 101 3PY -0.00891 -0.06151 -0.19989 0.01100 -0.00352 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S -0.08201 0.52318 -1.00474 0.19503 0.08896 104 4PX 0.09996 -0.31335 1.22154 -0.16423 -0.09513 105 4PY -0.20114 -0.04645 -0.97881 0.05976 0.03281 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S -0.11808 0.34549 -1.70758 -0.16126 -0.10350 108 5PX -0.00299 -0.10756 0.25891 0.08229 0.04183 109 5PY 0.10979 0.04319 0.34520 0.04920 0.00362 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 -0.16853 0.26828 -0.21290 0.01702 0.00626 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 0.03409 -0.00425 0.99690 -0.02631 -0.02355 115 6D-2 -0.38042 0.13891 -0.56443 0.01496 0.01455 116 7D 0 0.11916 -0.22047 0.18646 -0.05450 -0.02535 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 -0.02449 -0.06097 -1.11205 0.08403 0.07280 120 7D-2 0.32065 -0.13078 0.55783 -0.05426 -0.04381 121 7 H 1S -0.00746 -0.00624 -0.23125 0.01463 0.03776 122 2S -0.01504 -0.37266 -0.77986 -0.01587 -0.07757 123 3S 0.13849 0.24409 0.63668 0.10289 0.08248 124 4PX 0.05999 0.01320 0.04148 0.01018 0.02622 125 4PY -0.02691 -0.09931 -0.24251 -0.00257 -0.00847 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.01780 0.00752 0.02320 -0.01538 0.00475 128 2S 0.03106 0.02494 -0.06756 0.22198 0.27142 129 3S -0.14150 0.08458 -0.18436 -0.09376 -0.03374 130 4PX -0.01699 0.01314 -0.02822 0.02780 0.04170 131 4PY 0.02081 -0.01930 0.01735 -0.06900 -0.07644 132 4PZ 0.01350 -0.02520 0.04378 0.09331 0.09409 131 132 V V Eigenvalues -- 49.90353 49.93498 1 1 C 1S -0.00288 -0.01042 2 2S 0.00483 0.01765 3 2PX 0.00263 -0.00267 4 2PY 0.00643 -0.00692 5 2PZ 0.00000 0.00000 6 3S -0.00980 -0.01188 7 3PX -0.05020 -0.03840 8 3PY -0.01985 0.04294 9 3PZ 0.00000 0.00000 10 4S -0.07487 -0.61745 11 4PX -0.05425 -0.13811 12 4PY -0.03877 0.21620 13 4PZ 0.00000 0.00000 14 5S -0.17364 0.44006 15 5PX 0.06357 -0.00495 16 5PY 0.03771 -0.12999 17 5PZ 0.00000 0.00000 18 6D 0 -0.00182 0.00167 19 6D+1 0.00000 0.00000 20 6D-1 0.00000 0.00000 21 6D+2 -0.00264 -0.00981 22 6D-2 0.00411 0.00027 23 7D 0 0.01647 0.03350 24 7D+1 0.00000 0.00000 25 7D-1 0.00000 0.00000 26 7D+2 -0.05876 0.01403 27 7D-2 0.01181 0.01171 28 2 C 1S 0.00408 -0.00187 29 2S -0.00601 0.00255 30 2PX -0.01261 -0.00150 31 2PY 0.01726 -0.01169 32 2PZ 0.00000 0.00000 33 3S -0.01515 0.00643 34 3PX 0.04926 0.02144 35 3PY -0.02665 -0.00007 36 3PZ 0.00000 0.00000 37 4S -0.34905 0.53295 38 4PX -0.11356 0.28194 39 4PY 0.12687 -0.07831 40 4PZ 0.00000 0.00000 41 5S 0.25444 -0.40973 42 5PX 0.03501 -0.08446 43 5PY 0.02006 -0.04034 44 5PZ 0.00000 0.00000 45 6D 0 -0.01470 0.00739 46 6D+1 0.00000 0.00000 47 6D-1 0.00000 0.00000 48 6D+2 -0.01275 0.01031 49 6D-2 -0.01085 0.00352 50 7D 0 0.04803 -0.03475 51 7D+1 0.00000 0.00000 52 7D-1 0.00000 0.00000 53 7D+2 -0.08609 0.00067 54 7D-2 -0.00272 0.04083 55 3 O 1S -1.87663 1.23635 56 2S 1.95733 -1.29051 57 2PX -0.00402 0.00093 58 2PY 0.01028 -0.00599 59 2PZ 0.00000 0.00000 60 3S -0.28710 0.20225 61 3PX 0.01607 -0.00434 62 3PY -0.04338 0.02512 63 3PZ 0.00000 0.00000 64 4S 0.41946 -0.41143 65 4PX -0.00350 0.03536 66 4PY 0.13220 -0.13817 67 4PZ 0.00000 0.00000 68 5S -0.02024 -0.01299 69 5PX -0.02074 -0.01372 70 5PY 0.02422 -0.02383 71 5PZ 0.00000 0.00000 72 6D 0 0.00821 -0.00413 73 6D+1 0.00000 0.00000 74 6D-1 0.00000 0.00000 75 6D+2 0.00680 -0.00515 76 6D-2 0.00124 -0.00440 77 7D 0 -0.01964 0.01242 78 7D+1 0.00000 0.00000 79 7D-1 0.00000 0.00000 80 7D+2 -0.01316 0.01334 81 7D-2 0.00725 0.01256 82 4 H 1S 0.00850 -0.00532 83 2S 0.11849 0.01721 84 3S -0.07311 0.06908 85 4PX 0.03459 -0.00054 86 4PY -0.02781 0.01543 87 4PZ 0.00000 0.00000 88 5 H 1S -0.00084 -0.00641 89 2S 0.00495 0.05151 90 3S 0.02780 -0.01749 91 4PX 0.00070 0.01099 92 4PY -0.00083 -0.00631 93 4PZ -0.00197 -0.00400 94 6 O 1S -1.23622 -1.87680 95 2S 1.28891 1.95829 96 2PX 0.00009 -0.00150 97 2PY -0.00620 -0.00797 98 2PZ 0.00000 0.00000 99 3S -0.18889 -0.29742 100 3PX 0.00511 0.01500 101 3PY 0.02325 0.02966 102 3PZ 0.00000 0.00000 103 4S 0.29550 0.48767 104 4PX -0.11230 -0.18879 105 4PY 0.01832 0.04631 106 4PZ 0.00000 0.00000 107 5S -0.10962 -0.11720 108 5PX 0.01597 -0.00215 109 5PY 0.00987 0.01965 110 5PZ 0.00000 0.00000 111 6D 0 0.00698 0.00641 112 6D+1 0.00000 0.00000 113 6D-1 0.00000 0.00000 114 6D+2 -0.00384 -0.00933 115 6D-2 0.00167 0.00396 116 7D 0 -0.01942 -0.01344 117 7D+1 0.00000 0.00000 118 7D-1 0.00000 0.00000 119 7D+2 0.02555 0.05368 120 7D-2 -0.00966 -0.01245 121 7 H 1S 0.00360 0.00410 122 2S -0.00211 0.02675 123 3S 0.03684 0.04388 124 4PX 0.00407 0.00709 125 4PY 0.02707 0.05120 126 4PZ 0.00000 0.00000 127 8 H 1S -0.00084 -0.00641 128 2S 0.00495 0.05151 129 3S 0.02780 -0.01749 130 4PX 0.00070 0.01099 131 4PY -0.00083 -0.00631 132 4PZ 0.00197 0.00400 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65796 2 2S 0.55874 0.48692 3 2PX 0.00400 0.00565 0.06885 4 2PY -0.00187 -0.00240 0.00376 0.08713 5 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.08912 6 3S -0.07780 -0.13790 -0.01175 0.00361 -0.00000 7 3PX 0.00258 0.00473 0.10035 0.00712 -0.00000 8 3PY 0.00138 0.00170 0.00729 0.12589 -0.00000 9 3PZ -0.00000 -0.00000 -0.00000 -0.00000 0.12397 10 4S -0.05836 -0.08377 -0.03570 0.01441 -0.00000 11 4PX 0.00332 0.00657 0.04991 -0.00209 -0.00000 12 4PY 0.00247 0.00099 0.00715 0.08020 -0.00000 13 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.07110 14 5S -0.01747 -0.02114 -0.00399 0.00415 -0.00000 15 5PX 0.00330 0.00417 0.00172 0.00043 -0.00000 16 5PY 0.00093 0.00108 0.00220 0.00679 -0.00000 17 5PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00811 18 6D 0 0.00001 0.00013 -0.00235 0.00522 -0.00000 19 6D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00241 20 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00532 21 6D+2 -0.00018 -0.00024 0.00527 -0.00125 0.00000 22 6D-2 -0.00010 -0.00000 -0.00500 -0.00351 -0.00000 23 7D 0 0.00362 0.00379 -0.00305 0.00582 -0.00000 24 7D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00518 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.00008 26 7D+2 0.00061 0.00104 0.00489 -0.00181 0.00000 27 7D-2 0.00028 0.00048 -0.00702 -0.00462 0.00000 28 2 C 1S 0.00385 0.00581 0.01024 0.01537 -0.00000 29 2S 0.00582 0.00889 0.01635 0.02480 -0.00000 30 2PX -0.01052 -0.01685 -0.02268 -0.03571 0.00000 31 2PY -0.01097 -0.01738 -0.03119 -0.04218 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.01298 33 3S -0.01373 -0.02149 -0.04579 -0.07170 0.00000 34 3PX -0.01739 -0.02657 -0.03179 -0.05363 0.00000 35 3PY -0.01719 -0.02606 -0.04486 -0.06094 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.02029 37 4S -0.00516 -0.01177 -0.02717 -0.05172 0.00000 38 4PX -0.01055 -0.01690 -0.01430 -0.02715 0.00000 39 4PY -0.00617 -0.00838 -0.01775 -0.03773 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.01211 41 5S 0.01075 0.01335 0.00245 0.00247 -0.00000 42 5PX 0.00029 0.00022 -0.00097 -0.00186 0.00000 43 5PY 0.00402 0.00555 -0.00115 0.00175 -0.00000 44 5PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00012 45 6D 0 0.00050 0.00077 0.00039 0.00065 -0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00132 47 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00320 48 6D+2 0.00075 0.00127 0.00273 -0.00021 -0.00000 49 6D-2 -0.00202 -0.00325 -0.00352 -0.00576 0.00000 50 7D 0 0.00056 0.00119 0.00107 0.00018 -0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00167 52 7D-1 0.00000 0.00000 -0.00000 -0.00000 0.01074 53 7D+2 0.00613 0.00790 0.00638 -0.00060 -0.00000 54 7D-2 -0.00785 -0.00965 -0.00309 -0.01052 -0.00000 55 3 O 1S -0.00054 -0.00077 -0.00058 -0.00282 0.00000 56 2S -0.00085 -0.00126 -0.00092 -0.00456 0.00000 57 2PX 0.00590 0.00966 0.01080 0.01421 -0.00000 58 2PY 0.00506 0.00805 0.01102 0.01842 -0.00000 59 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.01395 60 3S 0.00226 0.00353 0.00281 0.01441 -0.00000 61 3PX 0.00814 0.01356 0.01573 0.02069 -0.00000 62 3PY 0.00639 0.01070 0.01564 0.02619 -0.00000 63 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.02028 64 4S 0.00151 0.00386 -0.00105 0.00300 -0.00000 65 4PX 0.00716 0.01281 0.01851 0.02793 -0.00000 66 4PY 0.00674 0.01145 0.01365 0.02301 -0.00000 67 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.01792 68 5S 0.00127 0.00290 0.00107 -0.00443 0.00000 69 5PX 0.00536 0.00784 0.01068 0.01472 -0.00000 70 5PY 0.00148 0.00268 0.00618 0.00709 -0.00000 71 5PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00914 72 6D 0 0.00000 -0.00004 -0.00018 -0.00020 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00013 74 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 75 6D+2 -0.00009 -0.00011 -0.00007 0.00004 -0.00000 76 6D-2 -0.00008 -0.00018 -0.00045 -0.00084 0.00000 77 7D 0 -0.00032 -0.00038 -0.00052 -0.00038 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00035 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00012 80 7D+2 0.00065 0.00059 0.00081 0.00105 -0.00000 81 7D-2 -0.00085 -0.00096 -0.00012 -0.00089 0.00000 82 4 H 1S 0.00584 0.00965 0.01249 0.01274 -0.00000 83 2S 0.00485 0.01070 0.02536 0.02448 -0.00000 84 3S 0.00775 0.01164 0.02685 0.02554 -0.00000 85 4PX -0.00088 -0.00065 0.00022 -0.00070 0.00000 86 4PY -0.00070 -0.00086 -0.00146 -0.00205 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00058 88 5 H 1S -0.01918 -0.02989 -0.01225 0.04233 0.06180 89 2S -0.03048 -0.04382 -0.01216 0.05685 0.09432 90 3S 0.00223 0.00139 0.00116 0.01817 0.03877 91 4PX -0.00119 -0.00139 0.00269 0.00158 0.00215 92 4PY 0.00383 0.00492 0.00145 0.00109 -0.00665 93 4PZ 0.00517 0.00668 0.00167 -0.00565 -0.00411 94 6 O 1S 0.00164 0.00213 -0.00933 0.00319 -0.00000 95 2S 0.00238 0.00321 -0.01491 0.00510 -0.00000 96 2PX 0.01782 0.02814 -0.07043 0.02066 -0.00000 97 2PY -0.00361 -0.00561 0.01930 -0.00262 0.00000 98 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00297 99 3S -0.00405 -0.00595 0.04274 -0.01488 0.00000 100 3PX 0.02677 0.04211 -0.10462 0.03107 -0.00000 101 3PY -0.00553 -0.00861 0.02851 -0.00365 0.00000 102 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00489 103 4S -0.00015 0.00168 0.01585 -0.01128 0.00000 104 4PX 0.02006 0.03047 -0.08083 0.02024 -0.00000 105 4PY -0.00261 -0.00361 0.01747 -0.00409 0.00000 106 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00202 107 5S 0.01387 0.01597 -0.01551 0.00431 -0.00000 108 5PX -0.00353 -0.00356 -0.00663 -0.00434 0.00000 109 5PY -0.00015 0.00062 -0.00417 -0.01045 0.00000 110 5PZ 0.00000 -0.00000 0.00000 0.00000 -0.01624 111 6D 0 0.00024 0.00048 -0.00111 0.00024 -0.00000 112 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00101 113 6D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00027 114 6D+2 -0.00055 -0.00107 0.00220 -0.00136 0.00000 115 6D-2 0.00001 0.00014 -0.00052 -0.00083 0.00000 116 7D 0 0.00194 0.00251 -0.00302 0.00107 -0.00000 117 7D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00490 118 7D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00198 119 7D+2 -0.00376 -0.00506 0.00666 -0.00505 0.00000 120 7D-2 0.00118 0.00124 -0.00035 -0.00420 0.00000 121 7 H 1S 0.00275 0.00475 -0.00936 0.00693 -0.00000 122 2S 0.00591 0.00854 -0.01095 0.01681 -0.00000 123 3S -0.00291 -0.00208 -0.00621 0.00920 -0.00000 124 4PX 0.00066 0.00134 -0.00517 0.00193 -0.00000 125 4PY 0.00034 0.00039 -0.00089 -0.00124 0.00000 126 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00037 127 8 H 1S -0.01918 -0.02989 -0.01225 0.04233 -0.06180 128 2S -0.03048 -0.04382 -0.01216 0.05685 -0.09432 129 3S 0.00223 0.00139 0.00116 0.01817 -0.03877 130 4PX -0.00119 -0.00139 0.00269 0.00158 -0.00215 131 4PY 0.00383 0.00492 0.00145 0.00109 0.00665 132 4PZ -0.00517 -0.00668 -0.00167 0.00565 -0.00411 6 7 8 9 10 6 3S 0.42418 7 3PX -0.01236 0.14659 8 3PY -0.00508 0.01278 0.18233 9 3PZ 0.00000 -0.00000 -0.00000 0.17259 10 4S 0.20478 -0.04815 0.01424 -0.00000 0.13389 11 4PX -0.02053 0.07302 -0.00174 -0.00000 -0.02886 12 4PY 0.00448 0.01125 0.11627 -0.00000 0.00396 13 4PZ -0.00000 -0.00000 -0.00000 0.09888 -0.00000 14 5S 0.03716 -0.00378 0.00400 -0.00000 0.01310 15 5PX -0.00832 0.00162 0.00135 -0.00000 -0.00826 16 5PY -0.00158 0.00304 0.01001 -0.00000 0.00176 17 5PZ 0.00000 -0.00000 -0.00000 0.01140 -0.00000 18 6D 0 -0.00078 -0.00325 0.00746 -0.00000 0.00247 19 6D+1 0.00000 0.00000 -0.00000 -0.00321 -0.00000 20 6D-1 0.00000 -0.00000 0.00000 0.00728 -0.00000 21 6D+2 0.00064 0.00759 -0.00157 0.00000 -0.00352 22 6D-2 -0.00051 -0.00749 -0.00504 -0.00000 0.00093 23 7D 0 -0.00468 -0.00444 0.00850 -0.00000 0.00048 24 7D+1 0.00000 0.00000 -0.00000 -0.00689 -0.00000 25 7D-1 -0.00000 0.00000 0.00000 -0.00019 -0.00000 26 7D+2 -0.00300 0.00680 -0.00204 0.00000 -0.00705 27 7D-2 -0.00152 -0.01076 -0.00643 0.00000 -0.00027 28 2 C 1S -0.01363 0.01659 0.02505 -0.00000 -0.00635 29 2S -0.02162 0.02590 0.03883 -0.00000 -0.00892 30 2PX 0.04832 -0.03423 -0.05362 0.00000 0.03877 31 2PY 0.04740 -0.04558 -0.06126 0.00000 0.01316 32 2PZ -0.00000 0.00000 0.00000 0.01961 -0.00000 33 3S 0.05520 -0.07083 -0.10727 0.00000 0.01870 34 3PX 0.07207 -0.04802 -0.08030 0.00000 0.05395 35 3PY 0.06758 -0.06583 -0.08861 0.00000 0.02049 36 3PZ -0.00000 0.00000 0.00000 0.03054 -0.00000 37 4S 0.04113 -0.04173 -0.07586 0.00000 -0.00333 38 4PX 0.04807 -0.02137 -0.04048 0.00000 0.02805 39 4PY 0.01863 -0.02674 -0.05434 0.00000 0.00171 40 4PZ -0.00000 0.00000 0.00000 0.01824 -0.00000 41 5S -0.02485 0.00130 0.00532 -0.00000 -0.00932 42 5PX 0.00052 -0.00169 -0.00262 0.00000 0.00359 43 5PY -0.01284 -0.00270 0.00335 -0.00000 -0.00914 44 5PZ 0.00000 0.00000 -0.00000 -0.00016 0.00000 45 6D 0 -0.00199 0.00065 0.00108 -0.00000 -0.00136 46 6D+1 -0.00000 0.00000 0.00000 0.00191 -0.00000 47 6D-1 -0.00000 0.00000 0.00000 0.00425 -0.00000 48 6D+2 -0.00374 0.00390 -0.00004 -0.00000 -0.00563 49 6D-2 0.00919 -0.00487 -0.00853 0.00000 0.00531 50 7D 0 -0.00417 0.00148 0.00046 -0.00000 -0.00287 51 7D+1 -0.00000 -0.00000 0.00000 0.00248 -0.00000 52 7D-1 -0.00000 -0.00000 0.00000 0.01463 -0.00000 53 7D+2 -0.01615 0.00876 -0.00015 -0.00000 -0.01352 54 7D-2 0.01842 -0.00402 -0.01561 0.00000 0.00988 55 3 O 1S 0.00226 0.00014 -0.00300 0.00000 -0.01209 56 2S 0.00358 -0.00009 -0.00548 0.00000 -0.01541 57 2PX -0.02800 0.01306 0.02232 -0.00000 -0.03497 58 2PY -0.02252 0.01408 0.02586 -0.00000 -0.00994 59 2PZ 0.00000 0.00000 -0.00000 -0.01673 0.00000 60 3S -0.00967 0.00163 0.01970 -0.00000 0.03210 61 3PX -0.03999 0.01907 0.03245 -0.00000 -0.05050 62 3PY -0.03158 0.01992 0.03676 -0.00000 -0.01374 63 3PZ 0.00000 0.00000 -0.00000 -0.02426 0.00000 64 4S -0.01492 -0.00334 0.00475 -0.00000 0.01755 65 4PX -0.04057 0.02355 0.04254 -0.00000 -0.04691 66 4PY -0.03423 0.01766 0.03312 -0.00000 -0.01991 67 4PZ 0.00000 0.00000 -0.00000 -0.02163 0.00000 68 5S -0.01060 0.00176 -0.00556 0.00000 -0.00906 69 5PX -0.01999 0.01504 0.02197 -0.00000 -0.01730 70 5PY -0.00838 0.00909 0.01039 -0.00000 -0.00481 71 5PZ 0.00000 0.00000 -0.00000 -0.01223 0.00000 72 6D 0 0.00025 -0.00023 -0.00025 0.00000 -0.00017 73 6D+1 -0.00000 0.00000 0.00000 0.00015 0.00000 74 6D-1 0.00000 -0.00000 -0.00000 0.00003 -0.00000 75 6D+2 0.00018 0.00001 0.00011 -0.00000 -0.00026 76 6D-2 0.00063 -0.00068 -0.00118 0.00000 -0.00021 77 7D 0 0.00071 -0.00068 -0.00048 -0.00000 0.00022 78 7D+1 -0.00000 0.00000 0.00000 -0.00057 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00053 -0.00000 80 7D+2 -0.00031 0.00149 0.00162 -0.00000 -0.00041 81 7D-2 0.00152 -0.00030 -0.00125 0.00000 -0.00071 82 4 H 1S -0.02948 0.01778 0.01956 -0.00000 -0.03438 83 2S -0.04107 0.03648 0.03718 -0.00000 -0.05208 84 3S -0.03068 0.03876 0.03822 -0.00000 -0.03247 85 4PX -0.00075 0.00025 -0.00095 0.00000 -0.00314 86 4PY 0.00170 -0.00218 -0.00296 0.00000 0.00092 87 4PZ -0.00000 0.00000 0.00000 0.00090 -0.00000 88 5 H 1S 0.07991 -0.01604 0.05878 0.08552 0.05125 89 2S 0.10607 -0.01516 0.07892 0.13035 0.06647 90 3S 0.00247 0.00233 0.02583 0.05250 0.00653 91 4PX 0.00237 0.00398 0.00228 0.00299 0.00026 92 4PY -0.01008 0.00197 0.00188 -0.00922 -0.00541 93 4PZ -0.01368 0.00217 -0.00778 -0.00570 -0.00818 94 6 O 1S -0.00396 -0.01084 0.00326 -0.00000 0.03175 95 2S -0.00582 -0.01816 0.00559 -0.00000 0.04300 96 2PX -0.08008 -0.10528 0.03160 -0.00000 -0.01625 97 2PY 0.01674 0.02565 -0.00034 0.00000 -0.01009 98 2PZ -0.00000 -0.00000 0.00000 0.00747 0.00000 99 3S 0.00922 0.05460 -0.01741 0.00000 -0.10128 100 3PX -0.11925 -0.15620 0.04740 -0.00000 -0.02268 101 3PY 0.02555 0.03805 -0.00037 0.00000 -0.01373 102 3PZ -0.00000 -0.00000 0.00000 0.01166 0.00000 103 4S -0.01531 0.01513 -0.01113 0.00000 -0.09131 104 4PX -0.08308 -0.12089 0.03125 -0.00000 -0.01479 105 4PY 0.00953 0.02244 -0.00219 0.00000 -0.01694 106 4PZ -0.00000 -0.00000 0.00000 0.00169 0.00000 107 5S -0.02606 -0.02333 0.00741 -0.00000 -0.00614 108 5PX 0.00348 -0.01002 -0.00627 0.00000 0.00215 109 5PY -0.00427 -0.00679 -0.01471 0.00000 -0.00454 110 5PZ 0.00000 0.00000 0.00000 -0.02139 0.00000 111 6D 0 -0.00160 -0.00166 0.00041 -0.00000 -0.00010 112 6D+1 0.00000 0.00000 0.00000 -0.00144 0.00000 113 6D-1 0.00000 0.00000 -0.00000 0.00035 0.00000 114 6D+2 0.00370 0.00322 -0.00193 0.00000 0.00081 115 6D-2 -0.00073 -0.00073 -0.00124 0.00000 0.00008 116 7D 0 -0.00525 -0.00444 0.00167 -0.00000 -0.00045 117 7D+1 0.00000 0.00000 0.00000 -0.00705 -0.00000 118 7D-1 0.00000 0.00000 -0.00000 0.00259 0.00000 119 7D+2 0.01156 0.00979 -0.00738 0.00000 0.00212 120 7D-2 -0.00143 -0.00032 -0.00635 0.00000 0.00054 121 7 H 1S -0.01648 -0.01309 0.00817 -0.00000 -0.00924 122 2S -0.02330 -0.01447 0.02164 -0.00000 -0.00453 123 3S -0.00258 -0.00869 0.01239 -0.00000 0.00235 124 4PX -0.00475 -0.00766 0.00291 -0.00000 -0.00051 125 4PY -0.00103 -0.00124 -0.00214 0.00000 -0.00212 126 4PZ 0.00000 0.00000 0.00000 -0.00016 0.00000 127 8 H 1S 0.07991 -0.01604 0.05878 -0.08552 0.05125 128 2S 0.10607 -0.01516 0.07892 -0.13035 0.06647 129 3S 0.00247 0.00233 0.02583 -0.05250 0.00653 130 4PX 0.00237 0.00398 0.00228 -0.00299 0.00026 131 4PY -0.01008 0.00197 0.00188 0.00922 -0.00541 132 4PZ 0.01368 -0.00217 0.00778 -0.00570 0.00818 11 12 13 14 15 11 4PX 0.03900 12 4PY -0.00040 0.07829 13 4PZ -0.00000 -0.00000 0.05680 14 5S -0.00197 0.00486 -0.00000 0.05413 15 5PX -0.00037 0.00245 -0.00000 -0.01197 0.00435 16 5PY 0.00137 0.00593 -0.00000 -0.01076 0.00215 17 5PZ -0.00000 -0.00000 0.00618 0.00000 -0.00000 18 6D 0 -0.00175 0.00426 -0.00000 0.00045 -0.00032 19 6D+1 0.00000 -0.00000 -0.00209 0.00000 -0.00000 20 6D-1 -0.00000 0.00000 0.00428 0.00000 -0.00000 21 6D+2 0.00348 -0.00055 0.00000 -0.00024 0.00044 22 6D-2 -0.00363 -0.00321 -0.00000 -0.00296 0.00077 23 7D 0 -0.00271 0.00495 -0.00000 -0.00130 0.00034 24 7D+1 0.00000 -0.00000 -0.00466 0.00000 -0.00000 25 7D-1 0.00000 0.00000 0.00015 -0.00000 0.00000 26 7D+2 0.00301 -0.00018 0.00000 -0.00336 0.00163 27 7D-2 -0.00557 -0.00357 0.00000 -0.00770 0.00236 28 2 C 1S 0.00588 0.01548 -0.00000 0.01330 -0.00472 29 2S 0.00915 0.02267 -0.00000 0.01608 -0.00573 30 2PX -0.01969 -0.03538 0.00000 -0.02216 0.00336 31 2PY -0.02142 -0.03360 0.00000 0.01914 -0.00315 32 2PZ 0.00000 0.00000 0.01159 -0.00000 0.00000 33 3S -0.02483 -0.05853 0.00000 -0.03131 0.01129 34 3PX -0.02769 -0.05224 0.00000 -0.03014 0.00499 35 3PY -0.03119 -0.04924 0.00000 0.02254 -0.00372 36 3PZ 0.00000 0.00000 0.01803 -0.00000 0.00000 37 4S -0.01600 -0.03688 0.00000 0.00074 0.00656 38 4PX -0.01411 -0.02548 0.00000 -0.00845 0.00215 39 4PY -0.01264 -0.03286 0.00000 0.00279 -0.00018 40 4PZ 0.00000 0.00000 0.01099 -0.00000 0.00000 41 5S -0.00067 0.00300 -0.00000 -0.05333 0.01298 42 5PX -0.00125 -0.00265 0.00000 -0.00956 0.00158 43 5PY -0.00205 0.00432 -0.00000 -0.01456 0.00492 44 5PZ 0.00000 -0.00000 0.00034 0.00000 -0.00000 45 6D 0 0.00020 0.00069 -0.00000 0.00125 -0.00024 46 6D+1 0.00000 0.00000 0.00109 -0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00246 0.00000 -0.00000 48 6D+2 0.00251 0.00143 -0.00000 0.00204 -0.00006 49 6D-2 -0.00261 -0.00623 0.00000 0.00328 -0.00102 50 7D 0 0.00069 0.00028 -0.00000 -0.00107 0.00039 51 7D+1 0.00000 0.00000 0.00132 -0.00000 0.00000 52 7D-1 -0.00000 0.00000 0.00844 -0.00000 0.00000 53 7D+2 0.00559 0.00241 -0.00000 -0.00475 0.00164 54 7D-2 -0.00268 -0.01186 0.00000 0.00511 -0.00170 55 3 O 1S -0.00014 0.00449 -0.00000 0.02012 -0.00117 56 2S 0.00033 0.00486 -0.00000 0.02556 -0.00102 57 2PX 0.00863 0.03041 -0.00000 -0.01305 0.00653 58 2PY 0.00865 0.02262 -0.00000 -0.03252 0.01052 59 2PZ 0.00000 -0.00000 -0.00962 0.00000 -0.00000 60 3S -0.00301 -0.00564 0.00000 -0.05193 0.00011 61 3PX 0.01257 0.04423 -0.00000 -0.01841 0.00942 62 3PY 0.01217 0.03213 -0.00000 -0.04715 0.01511 63 3PZ 0.00000 -0.00000 -0.01395 0.00000 -0.00000 64 4S -0.00509 -0.01203 0.00000 -0.03228 -0.00328 65 4PX 0.01463 0.04805 -0.00000 -0.01836 0.00906 66 4PY 0.01079 0.02957 -0.00000 -0.03170 0.01093 67 4PZ 0.00000 -0.00000 -0.01246 0.00000 -0.00000 68 5S 0.00099 -0.00418 0.00000 0.00921 -0.00290 69 5PX 0.00905 0.01864 -0.00000 -0.00228 0.00170 70 5PY 0.00489 0.00693 -0.00000 0.00028 -0.00010 71 5PZ 0.00000 -0.00000 -0.00741 -0.00000 0.00000 72 6D 0 -0.00015 -0.00012 0.00000 0.00080 -0.00019 73 6D+1 0.00000 0.00000 0.00008 -0.00000 0.00000 74 6D-1 -0.00000 -0.00000 0.00002 0.00000 -0.00000 75 6D+2 -0.00003 -0.00005 -0.00000 0.00179 -0.00044 76 6D-2 -0.00033 -0.00042 0.00000 0.00049 -0.00007 77 7D 0 -0.00049 -0.00044 -0.00000 0.00105 -0.00028 78 7D+1 0.00000 0.00000 -0.00036 -0.00000 -0.00000 79 7D-1 0.00000 0.00000 0.00031 0.00000 -0.00000 80 7D+2 0.00071 0.00039 -0.00000 0.00386 -0.00107 81 7D-2 -0.00010 0.00043 -0.00000 0.00044 0.00010 82 4 H 1S 0.01403 0.01926 -0.00000 0.01030 0.00049 83 2S 0.02507 0.03421 -0.00000 0.01647 0.00069 84 3S 0.02227 0.03186 -0.00000 0.00422 0.00087 85 4PX 0.00078 0.00023 -0.00000 0.00157 0.00010 86 4PY -0.00119 -0.00179 0.00000 -0.00035 0.00008 87 4PZ 0.00000 0.00000 0.00054 0.00000 0.00000 88 5 H 1S -0.01290 0.03813 0.04957 0.01190 -0.00254 89 2S -0.01391 0.05135 0.07565 0.01907 -0.00413 90 3S 0.00042 0.01545 0.03178 0.00435 -0.00144 91 4PX 0.00184 0.00160 0.00173 0.00017 -0.00001 92 4PY 0.00120 0.00118 -0.00532 -0.00162 0.00046 93 4PZ 0.00187 -0.00515 -0.00329 -0.00177 0.00033 94 6 O 1S 0.00284 -0.00720 0.00000 -0.01680 -0.00460 95 2S 0.00236 -0.00906 0.00000 -0.02089 -0.00686 96 2PX -0.05705 0.02003 -0.00000 -0.01969 0.00925 97 2PY 0.00617 0.00252 -0.00000 -0.06430 0.01933 98 2PZ -0.00000 -0.00000 -0.00091 0.00000 -0.00000 99 3S 0.00023 0.01779 -0.00000 0.03947 0.01848 100 3PX -0.08407 0.02959 -0.00000 -0.02913 0.01318 101 3PY 0.00953 0.00363 -0.00000 -0.09233 0.02766 102 3PZ -0.00000 -0.00000 -0.00086 0.00000 -0.00000 103 4S -0.01787 0.01639 -0.00000 0.00239 0.02476 104 4PX -0.06608 0.01961 -0.00000 -0.02662 0.01162 105 4PY 0.00370 0.00273 -0.00000 -0.06357 0.02041 106 4PZ 0.00000 -0.00000 -0.00600 0.00000 -0.00000 107 5S -0.01311 0.00264 -0.00000 -0.01722 0.00494 108 5PX -0.00628 -0.00394 0.00000 -0.00240 0.00132 109 5PY -0.00335 -0.00832 0.00000 -0.00627 0.00201 110 5PZ 0.00000 0.00000 -0.01404 0.00000 -0.00000 111 6D 0 -0.00083 0.00012 -0.00000 -0.00142 0.00031 112 6D+1 0.00000 0.00000 -0.00077 0.00000 0.00000 113 6D-1 0.00000 -0.00000 0.00024 -0.00000 0.00000 114 6D+2 0.00154 -0.00123 0.00000 -0.00158 0.00032 115 6D-2 -0.00014 -0.00091 0.00000 0.00063 -0.00029 116 7D 0 -0.00207 0.00057 -0.00000 -0.00225 0.00039 117 7D+1 0.00000 0.00000 -0.00371 -0.00000 0.00000 118 7D-1 0.00000 -0.00000 0.00173 -0.00000 0.00000 119 7D+2 0.00487 -0.00446 0.00000 -0.00089 0.00008 120 7D-2 0.00110 -0.00443 0.00000 0.00401 -0.00172 121 7 H 1S -0.00550 0.00846 -0.00000 0.05179 -0.01099 122 2S -0.00347 0.01587 -0.00000 0.06300 -0.01575 123 3S -0.00246 0.00999 -0.00000 0.01555 -0.00427 124 4PX -0.00435 0.00161 -0.00000 -0.00115 0.00065 125 4PY -0.00077 -0.00079 0.00000 0.01071 -0.00205 126 4PZ 0.00000 0.00000 -0.00059 -0.00000 0.00000 127 8 H 1S -0.01290 0.03813 -0.04957 0.01190 -0.00254 128 2S -0.01391 0.05135 -0.07565 0.01907 -0.00413 129 3S 0.00042 0.01545 -0.03178 0.00435 -0.00144 130 4PX 0.00184 0.00160 -0.00173 0.00017 -0.00001 131 4PY 0.00120 0.00118 0.00532 -0.00162 0.00046 132 4PZ -0.00187 0.00515 -0.00329 0.00177 -0.00033 16 17 18 19 20 16 5PY 0.00312 17 5PZ -0.00000 0.00181 18 6D 0 0.00034 -0.00000 0.00047 19 6D+1 -0.00000 0.00041 0.00000 0.00047 20 6D-1 0.00000 0.00033 -0.00000 -0.00030 0.00045 21 6D+2 -0.00008 -0.00000 -0.00035 0.00000 0.00000 22 6D-2 0.00020 -0.00000 -0.00008 -0.00000 -0.00000 23 7D 0 0.00057 0.00000 0.00050 0.00000 -0.00000 24 7D+1 -0.00000 0.00149 0.00000 0.00135 -0.00069 25 7D-1 0.00000 -0.00038 -0.00000 -0.00039 0.00031 26 7D+2 0.00042 -0.00000 -0.00047 -0.00000 0.00000 27 7D-2 0.00097 -0.00000 -0.00018 -0.00000 -0.00000 28 2 C 1S -0.00227 0.00000 0.00097 0.00000 0.00000 29 2S -0.00243 0.00000 0.00162 0.00000 0.00000 30 2PX 0.00161 0.00000 -0.00111 -0.00000 -0.00000 31 2PY -0.00773 0.00000 -0.00201 -0.00000 -0.00000 32 2PZ 0.00000 -0.00288 0.00000 -0.00143 -0.00064 33 3S 0.00329 -0.00000 -0.00482 -0.00000 -0.00000 34 3PX 0.00167 0.00000 -0.00187 0.00000 -0.00000 35 3PY -0.00995 0.00000 -0.00294 -0.00000 -0.00000 36 3PZ 0.00000 -0.00420 0.00000 -0.00216 -0.00089 37 4S -0.00439 0.00000 -0.00378 -0.00000 -0.00000 38 4PX -0.00111 0.00000 -0.00110 0.00000 -0.00000 39 4PY -0.00407 0.00000 -0.00215 -0.00000 -0.00000 40 4PZ 0.00000 -0.00333 0.00000 -0.00171 -0.00051 41 5S 0.01130 -0.00000 -0.00029 -0.00000 0.00000 42 5PX 0.00190 -0.00000 -0.00002 0.00000 -0.00000 43 5PY 0.00290 -0.00000 -0.00013 -0.00000 -0.00000 44 5PZ -0.00000 -0.00153 -0.00000 -0.00077 0.00004 45 6D 0 -0.00032 -0.00000 0.00006 0.00000 -0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00005 0.00001 47 6D-1 -0.00000 0.00059 -0.00000 -0.00006 0.00038 48 6D+2 -0.00032 0.00000 -0.00018 0.00000 0.00000 49 6D-2 -0.00134 0.00000 -0.00018 -0.00000 -0.00000 50 7D 0 0.00014 -0.00000 -0.00004 0.00000 -0.00000 51 7D+1 0.00000 0.00024 0.00000 0.00010 -0.00005 52 7D-1 0.00000 0.00139 -0.00000 -0.00028 0.00094 53 7D+2 0.00121 -0.00000 -0.00036 0.00000 0.00000 54 7D-2 -0.00226 0.00000 -0.00045 0.00000 -0.00000 55 3 O 1S -0.00577 0.00000 -0.00009 0.00000 -0.00000 56 2S -0.00743 0.00000 -0.00018 0.00000 -0.00000 57 2PX 0.00609 -0.00000 -0.00042 0.00000 0.00000 58 2PY 0.00939 -0.00000 0.00047 -0.00000 -0.00000 59 2PZ -0.00000 -0.00606 0.00000 -0.00036 -0.00334 60 3S 0.01551 -0.00000 0.00070 -0.00000 0.00000 61 3PX 0.00872 0.00000 -0.00060 0.00000 0.00000 62 3PY 0.01359 -0.00000 0.00066 -0.00000 -0.00000 63 3PZ -0.00000 -0.00893 0.00000 -0.00055 -0.00491 64 4S 0.00951 -0.00000 0.00014 -0.00000 0.00000 65 4PX 0.00922 -0.00000 -0.00015 0.00000 0.00000 66 4PY 0.00973 -0.00000 0.00057 0.00000 -0.00000 67 4PZ -0.00000 -0.00745 0.00000 -0.00038 -0.00417 68 5S -0.00249 0.00000 -0.00030 0.00000 0.00000 69 5PX 0.00256 -0.00000 0.00028 -0.00000 0.00000 70 5PY 0.00073 -0.00000 0.00027 0.00000 0.00000 71 5PZ -0.00000 -0.00032 0.00000 0.00081 -0.00104 72 6D 0 -0.00020 0.00000 -0.00001 0.00000 0.00000 73 6D+1 0.00000 0.00007 0.00000 0.00001 0.00003 74 6D-1 -0.00000 -0.00017 0.00000 -0.00003 -0.00007 75 6D+2 -0.00043 0.00000 0.00001 0.00000 0.00000 76 6D-2 -0.00017 0.00000 -0.00005 0.00000 0.00000 77 7D 0 -0.00033 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00025 0.00000 0.00010 0.00005 79 7D-1 -0.00000 -0.00067 0.00000 -0.00012 -0.00033 80 7D+2 -0.00084 0.00000 0.00009 0.00000 0.00000 81 7D-2 -0.00003 0.00000 -0.00009 0.00000 0.00000 82 4 H 1S 0.00012 -0.00000 -0.00049 0.00000 0.00000 83 2S 0.00050 -0.00000 -0.00065 0.00000 0.00000 84 3S 0.00283 -0.00000 0.00020 0.00000 0.00000 85 4PX -0.00027 0.00000 -0.00019 0.00000 0.00000 86 4PY -0.00014 0.00000 -0.00008 -0.00000 -0.00000 87 4PZ 0.00000 -0.00022 0.00000 -0.00009 -0.00005 88 5 H 1S 0.00223 0.00458 0.00289 -0.00250 0.00417 89 2S 0.00243 0.00694 0.00376 -0.00394 0.00654 90 3S 0.00081 0.00018 0.00124 -0.00367 0.00384 91 4PX 0.00020 0.00016 -0.00001 -0.00008 0.00013 92 4PY 0.00032 -0.00056 0.00003 0.00022 -0.00043 93 4PZ -0.00030 -0.00034 -0.00037 0.00015 -0.00027 94 6 O 1S 0.00606 -0.00000 0.00157 -0.00000 -0.00000 95 2S 0.00792 -0.00000 0.00251 -0.00000 -0.00000 96 2PX 0.00180 -0.00000 0.00331 -0.00000 0.00000 97 2PY 0.01229 -0.00000 -0.00195 -0.00000 0.00000 98 2PZ -0.00000 0.01268 0.00000 0.00839 -0.00353 99 3S -0.01696 0.00000 -0.00720 0.00000 0.00000 100 3PX 0.00286 -0.00000 0.00504 -0.00000 0.00000 101 3PY 0.01772 -0.00000 -0.00282 -0.00000 0.00000 102 3PZ -0.00000 0.01849 0.00000 0.01219 -0.00510 103 4S -0.00939 0.00000 -0.00559 0.00000 0.00000 104 4PX 0.00258 -0.00000 0.00354 -0.00000 0.00000 105 4PY 0.01157 -0.00000 -0.00218 -0.00000 0.00000 106 4PZ -0.00000 0.01646 0.00000 0.01142 -0.00511 107 5S 0.00254 -0.00000 0.00074 -0.00000 -0.00000 108 5PX -0.00038 -0.00000 -0.00017 -0.00000 0.00000 109 5PY 0.00020 -0.00000 -0.00067 -0.00000 -0.00000 110 5PZ -0.00000 0.00264 0.00000 0.00331 -0.00229 111 6D 0 0.00027 -0.00000 0.00006 -0.00000 -0.00000 112 6D+1 -0.00000 -0.00024 -0.00000 -0.00007 -0.00002 113 6D-1 0.00000 -0.00008 -0.00000 -0.00008 0.00005 114 6D+2 0.00030 -0.00000 -0.00018 0.00000 0.00000 115 6D-2 -0.00018 0.00000 -0.00000 0.00000 -0.00000 116 7D 0 0.00043 -0.00000 0.00022 -0.00000 -0.00000 117 7D+1 0.00000 -0.00122 -0.00000 -0.00041 -0.00004 118 7D-1 0.00000 -0.00039 -0.00000 -0.00045 0.00030 119 7D+2 0.00005 0.00000 -0.00059 0.00000 0.00000 120 7D-2 -0.00095 0.00000 -0.00010 0.00000 -0.00000 121 7 H 1S -0.01047 0.00000 0.00083 0.00000 -0.00000 122 2S -0.01112 0.00000 0.00194 0.00000 -0.00000 123 3S -0.00162 0.00000 0.00089 0.00000 -0.00000 124 4PX 0.00004 -0.00000 0.00027 -0.00000 -0.00000 125 4PY -0.00253 0.00000 -0.00007 0.00000 -0.00000 126 4PZ 0.00000 0.00111 0.00000 0.00082 -0.00041 127 8 H 1S 0.00223 -0.00458 0.00289 0.00250 -0.00417 128 2S 0.00243 -0.00694 0.00376 0.00394 -0.00654 129 3S 0.00081 -0.00018 0.00124 0.00367 -0.00384 130 4PX 0.00020 -0.00016 -0.00001 0.00008 -0.00013 131 4PY 0.00032 0.00056 0.00003 -0.00022 0.00043 132 4PZ 0.00030 -0.00034 0.00037 0.00015 -0.00027 21 22 23 24 25 21 6D+2 0.00063 22 6D-2 -0.00024 0.00074 23 7D 0 -0.00036 0.00005 0.00075 24 7D+1 -0.00000 -0.00000 0.00000 0.00398 25 7D-1 0.00000 -0.00000 -0.00000 -0.00096 0.00074 26 7D+2 0.00082 0.00018 -0.00036 -0.00000 0.00000 27 7D-2 -0.00020 0.00134 0.00016 -0.00000 0.00000 28 2 C 1S 0.00030 -0.00193 0.00329 0.00000 0.00000 29 2S 0.00047 -0.00310 0.00371 0.00000 0.00000 30 2PX -0.00292 0.00290 0.00002 0.00000 -0.00000 31 2PY 0.00003 0.00420 -0.00320 -0.00000 0.00000 32 2PZ 0.00000 -0.00000 0.00000 -0.00623 -0.00321 33 3S -0.00136 0.00888 -0.00568 -0.00000 -0.00000 34 3PX -0.00380 0.00430 -0.00035 0.00000 -0.00000 35 3PY -0.00007 0.00615 -0.00445 -0.00000 0.00000 36 3PZ 0.00000 -0.00000 0.00000 -0.00933 -0.00476 37 4S 0.00068 0.00574 -0.00470 -0.00000 0.00000 38 4PX -0.00127 0.00197 -0.00038 0.00000 0.00000 39 4PY 0.00070 0.00329 -0.00243 -0.00000 0.00000 40 4PZ 0.00000 -0.00000 0.00000 -0.00697 -0.00277 41 5S 0.00028 0.00295 0.00157 -0.00000 0.00000 42 5PX -0.00025 0.00051 0.00032 0.00000 -0.00000 43 5PY 0.00003 0.00112 0.00057 -0.00000 0.00000 44 5PZ 0.00000 -0.00000 -0.00000 -0.00261 0.00015 45 6D 0 0.00005 -0.00009 0.00005 -0.00000 -0.00000 46 6D+1 -0.00000 -0.00000 0.00000 -0.00020 -0.00016 47 6D-1 0.00000 -0.00000 -0.00000 0.00014 0.00044 48 6D+2 0.00028 -0.00013 -0.00038 0.00000 0.00000 49 6D-2 0.00002 0.00033 -0.00031 -0.00000 -0.00000 50 7D 0 0.00017 0.00003 0.00002 0.00000 -0.00000 51 7D+1 -0.00000 -0.00000 0.00000 0.00020 -0.00036 52 7D-1 0.00000 -0.00000 -0.00000 -0.00023 0.00070 53 7D+2 0.00032 -0.00001 -0.00040 -0.00000 0.00000 54 7D-2 0.00033 0.00035 -0.00066 0.00000 -0.00000 55 3 O 1S -0.00003 0.00006 -0.00052 0.00000 0.00000 56 2S -0.00001 0.00013 -0.00091 0.00000 0.00000 57 2PX -0.00038 0.00019 -0.00057 0.00000 0.00000 58 2PY -0.00200 -0.00051 0.00151 -0.00000 -0.00000 59 2PZ 0.00000 0.00000 0.00000 -0.00483 -0.00579 60 3S -0.00008 -0.00058 0.00305 -0.00000 -0.00000 61 3PX -0.00056 0.00023 -0.00083 0.00000 0.00000 62 3PY -0.00285 -0.00069 0.00216 -0.00000 -0.00000 63 3PZ 0.00000 0.00000 0.00000 -0.00716 -0.00853 64 4S 0.00106 0.00019 0.00163 -0.00000 0.00000 65 4PX -0.00046 -0.00044 -0.00031 0.00000 0.00000 66 4PY -0.00183 -0.00067 0.00150 -0.00000 -0.00000 67 4PZ 0.00000 0.00000 0.00000 -0.00576 -0.00714 68 5S 0.00090 -0.00013 -0.00057 0.00000 0.00000 69 5PX 0.00025 -0.00092 0.00003 -0.00000 0.00000 70 5PY 0.00008 -0.00083 0.00022 0.00000 -0.00000 71 5PZ -0.00000 0.00000 0.00000 0.00187 -0.00119 72 6D 0 0.00004 0.00001 -0.00004 0.00000 0.00000 73 6D+1 -0.00000 -0.00000 0.00000 0.00007 0.00006 74 6D-1 0.00000 0.00000 0.00000 -0.00021 -0.00016 75 6D+2 0.00010 -0.00004 -0.00005 0.00000 0.00000 76 6D-2 -0.00001 0.00007 -0.00008 0.00000 0.00000 77 7D 0 0.00007 0.00005 -0.00001 0.00000 0.00000 78 7D+1 -0.00000 -0.00000 0.00000 0.00043 0.00016 79 7D-1 0.00000 0.00000 0.00000 -0.00083 -0.00078 80 7D+2 0.00023 -0.00024 -0.00003 0.00000 0.00000 81 7D-2 -0.00010 0.00005 -0.00015 0.00000 0.00000 82 4 H 1S 0.00213 -0.00049 -0.00184 0.00000 0.00000 83 2S 0.00359 -0.00151 -0.00270 0.00000 0.00000 84 3S 0.00147 -0.00252 -0.00070 0.00000 0.00000 85 4PX 0.00032 0.00016 -0.00040 0.00000 0.00000 86 4PY -0.00006 0.00022 -0.00005 -0.00000 0.00000 87 4PZ 0.00000 0.00000 -0.00000 -0.00041 -0.00020 88 5 H 1S -0.00162 -0.00120 0.00246 -0.00583 0.00122 89 2S -0.00192 -0.00215 0.00300 -0.00914 0.00227 90 3S -0.00059 -0.00124 0.00122 -0.00939 0.00372 91 4PX 0.00018 -0.00026 -0.00007 -0.00020 0.00002 92 4PY 0.00006 -0.00006 0.00015 0.00049 -0.00009 93 4PZ 0.00019 0.00015 -0.00028 0.00033 -0.00007 94 6 O 1S -0.00212 0.00064 -0.00033 0.00000 -0.00000 95 2S -0.00351 0.00102 0.00005 0.00000 -0.00000 96 2PX -0.00470 0.00607 0.00700 -0.00000 0.00000 97 2PY 0.00409 0.00406 0.00025 -0.00000 0.00000 98 2PZ -0.00000 -0.00000 0.00000 0.02436 -0.00906 99 3S 0.01053 -0.00279 -0.00193 0.00000 0.00000 100 3PX -0.00713 0.00895 0.01037 -0.00000 0.00000 101 3PY 0.00591 0.00576 0.00030 -0.00000 0.00000 102 3PZ -0.00000 -0.00000 0.00000 0.03540 -0.01318 103 4S 0.00841 0.00160 0.00070 -0.00000 0.00000 104 4PX -0.00516 0.00739 0.00786 -0.00000 0.00000 105 4PY 0.00420 0.00427 0.00039 -0.00000 0.00000 106 4PZ -0.00000 0.00000 0.00000 0.03304 -0.01219 107 5S -0.00055 0.00233 0.00204 -0.00000 0.00000 108 5PX -0.00014 0.00084 0.00026 -0.00000 0.00000 109 5PY 0.00010 0.00122 -0.00038 -0.00000 0.00000 110 5PZ -0.00000 0.00000 0.00000 0.00917 -0.00323 111 6D 0 -0.00007 0.00017 0.00012 -0.00000 0.00000 112 6D+1 0.00000 -0.00000 -0.00000 -0.00023 0.00010 113 6D-1 0.00000 0.00000 -0.00000 -0.00022 0.00009 114 6D+2 0.00024 0.00001 -0.00022 0.00000 0.00000 115 6D-2 -0.00008 0.00000 -0.00005 0.00000 -0.00000 116 7D 0 -0.00025 0.00033 0.00034 -0.00000 0.00000 117 7D+1 0.00000 -0.00000 -0.00000 -0.00128 0.00062 118 7D-1 0.00000 -0.00000 -0.00000 -0.00125 0.00045 119 7D+2 0.00068 -0.00021 -0.00083 0.00000 -0.00000 120 7D-2 -0.00027 -0.00022 -0.00042 0.00000 -0.00000 121 7 H 1S -0.00186 -0.00345 0.00005 0.00000 -0.00000 122 2S -0.00317 -0.00478 0.00038 0.00000 -0.00000 123 3S -0.00148 -0.00106 0.00021 0.00000 -0.00000 124 4PX -0.00029 0.00043 0.00056 -0.00000 0.00000 125 4PY -0.00012 -0.00067 -0.00017 0.00000 -0.00000 126 4PZ -0.00000 0.00000 0.00000 0.00232 -0.00094 127 8 H 1S -0.00162 -0.00120 0.00246 0.00583 -0.00122 128 2S -0.00192 -0.00215 0.00300 0.00914 -0.00227 129 3S -0.00059 -0.00124 0.00122 0.00939 -0.00372 130 4PX 0.00018 -0.00026 -0.00007 0.00020 -0.00002 131 4PY 0.00006 -0.00006 0.00015 -0.00049 0.00009 132 4PZ -0.00019 -0.00015 0.00028 0.00033 -0.00007 26 27 28 29 30 26 7D+2 0.00177 27 7D-2 0.00085 0.00272 28 2 C 1S -0.00001 -0.00488 0.65957 29 2S -0.00007 -0.00670 0.56153 0.49142 30 2PX -0.00479 0.00450 0.00042 0.00057 0.09278 31 2PY 0.00423 0.00649 -0.00082 -0.00187 -0.00121 32 2PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 33 3S 0.00030 0.01573 -0.08651 -0.15224 0.00078 34 3PX -0.00615 0.00677 -0.00003 -0.00084 0.12854 35 3PY 0.00575 0.00964 -0.00797 -0.00963 0.00368 36 3PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 37 4S 0.00387 0.01036 -0.05298 -0.08593 -0.01651 38 4PX -0.00218 0.00311 0.00558 0.00744 0.06071 39 4PY 0.00348 0.00541 -0.01017 -0.01300 0.00293 40 4PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 41 5S 0.00363 0.00808 -0.01661 -0.02048 0.02027 42 5PX -0.00007 0.00117 0.00149 0.00181 0.01153 43 5PY 0.00165 0.00310 -0.00434 -0.00533 0.00538 44 5PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 45 6D 0 0.00018 -0.00016 0.00127 0.00283 -0.00087 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 0.00084 -0.00008 0.00021 0.00078 -0.00525 49 6D-2 -0.00006 0.00023 -0.00008 0.00031 0.00150 50 7D 0 0.00039 0.00017 -0.00189 -0.00123 -0.00174 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 0.00145 0.00058 0.00082 0.00138 -0.00199 54 7D-2 -0.00006 0.00004 -0.00168 -0.00084 0.00276 55 3 O 1S 0.00168 0.00006 0.00354 0.00488 -0.00505 56 2S 0.00191 0.00013 0.00548 0.00748 -0.00818 57 2PX 0.00499 0.00324 0.00873 0.01381 0.00660 58 2PY -0.00417 0.00092 -0.02443 -0.03858 0.03381 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 60 3S -0.00289 -0.00055 -0.01227 -0.01696 0.02414 61 3PX 0.00713 0.00460 0.01353 0.02059 0.00971 62 3PY -0.00589 0.00142 -0.03804 -0.05754 0.04894 63 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 64 4S 0.00186 0.00063 -0.00683 0.00309 0.00411 65 4PX 0.00584 0.00319 0.00958 0.01329 0.00200 66 4PY -0.00278 0.00111 -0.02826 -0.03780 0.02791 67 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 68 5S 0.00221 -0.00050 0.01147 0.01702 -0.01458 69 5PX 0.00147 -0.00062 -0.00072 -0.00076 -0.01418 70 5PY -0.00024 -0.00131 0.00417 0.00459 -0.00391 71 5PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 72 6D 0 0.00016 0.00001 0.00064 0.00112 -0.00086 73 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 75 6D+2 0.00019 -0.00013 0.00091 0.00156 -0.00248 76 6D-2 0.00017 0.00014 0.00076 0.00127 0.00060 77 7D 0 0.00021 0.00004 0.00329 0.00369 -0.00101 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 80 7D+2 0.00022 -0.00060 0.00451 0.00522 -0.00610 81 7D-2 0.00020 0.00018 0.00328 0.00384 0.00311 82 4 H 1S 0.00511 0.00015 -0.02083 -0.03274 -0.07235 83 2S 0.00791 -0.00090 -0.03257 -0.04691 -0.10936 84 3S 0.00338 -0.00292 0.00463 0.00461 -0.03940 85 4PX 0.00074 0.00036 -0.00653 -0.00855 -0.00945 86 4PY 0.00010 0.00038 0.00097 0.00125 0.00255 87 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 88 5 H 1S -0.00293 -0.00202 0.00350 0.00587 -0.00356 89 2S -0.00401 -0.00376 0.00474 0.00867 -0.00694 90 3S -0.00174 -0.00232 0.00309 0.00519 -0.00458 91 4PX 0.00013 -0.00037 0.00037 0.00075 -0.00109 92 4PY 0.00020 0.00001 0.00066 0.00091 -0.00164 93 4PZ 0.00036 0.00024 -0.00015 -0.00041 0.00019 94 6 O 1S -0.00210 -0.00025 -0.00003 0.00001 0.00174 95 2S -0.00372 -0.00017 -0.00004 0.00002 0.00277 96 2PX -0.00136 0.01146 -0.00458 -0.00743 0.01357 97 2PY 0.01144 0.01226 -0.00338 -0.00554 0.00581 98 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 99 3S 0.01215 -0.00003 0.00018 0.00006 -0.00890 100 3PX -0.00228 0.01677 -0.00649 -0.01061 0.01980 101 3PY 0.01639 0.01747 -0.00467 -0.00782 0.00832 102 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 103 4S 0.01347 0.00866 -0.00328 -0.00577 -0.00018 104 4PX -0.00103 0.01409 -0.00613 -0.00974 0.01972 105 4PY 0.01176 0.01280 -0.00355 -0.00604 0.00741 106 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 107 5S 0.00137 0.00489 -0.00230 -0.00327 -0.00019 108 5PX 0.00008 0.00155 -0.00069 -0.00160 0.00718 109 5PY 0.00120 0.00244 -0.00171 -0.00310 0.00672 110 5PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 111 6D 0 0.00007 0.00036 -0.00007 -0.00017 0.00030 112 6D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 113 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 114 6D+2 0.00037 0.00013 -0.00011 -0.00019 0.00041 115 6D-2 -0.00017 -0.00009 -0.00013 -0.00020 0.00036 116 7D 0 -0.00002 0.00061 -0.00027 -0.00029 -0.00006 117 7D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 118 7D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 7D+2 0.00070 -0.00026 -0.00046 -0.00070 0.00099 120 7D-2 -0.00079 -0.00087 -0.00040 -0.00060 0.00111 121 7 H 1S -0.00670 -0.00886 0.00285 0.00487 -0.00696 122 2S -0.00955 -0.01222 0.00627 0.00941 -0.01245 123 3S -0.00256 -0.00271 0.00104 0.00201 -0.00270 124 4PX -0.00008 0.00080 -0.00044 -0.00053 0.00024 125 4PY -0.00117 -0.00175 0.00035 0.00048 -0.00076 126 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 127 8 H 1S -0.00293 -0.00202 0.00350 0.00587 -0.00356 128 2S -0.00401 -0.00376 0.00474 0.00867 -0.00694 129 3S -0.00174 -0.00232 0.00309 0.00519 -0.00458 130 4PX 0.00013 -0.00037 0.00037 0.00075 -0.00109 131 4PY 0.00020 0.00001 0.00066 0.00091 -0.00164 132 4PZ -0.00036 -0.00024 0.00015 0.00041 -0.00019 31 32 33 34 35 31 2PY 0.09441 32 2PZ -0.00000 0.05382 33 3S 0.00384 -0.00000 0.47458 34 3PX 0.00264 -0.00000 0.00787 0.17868 35 3PY 0.12963 -0.00000 0.01293 0.01081 0.17939 36 3PZ -0.00000 0.08010 -0.00000 -0.00000 -0.00000 37 4S 0.04083 -0.00000 0.24935 -0.01525 0.05489 38 4PX 0.00946 -0.00000 -0.01451 0.08541 0.01489 39 4PY 0.05512 -0.00000 0.02435 0.00673 0.07828 40 4PZ -0.00000 0.05266 -0.00000 -0.00000 -0.00000 41 5S -0.01949 0.00000 0.04053 0.02748 -0.02244 42 5PX -0.00330 -0.00000 -0.00326 0.01560 -0.00327 43 5PY -0.00061 0.00000 0.01076 0.00760 -0.00014 44 5PZ 0.00000 0.00884 -0.00000 -0.00000 0.00000 45 6D 0 0.00235 0.00000 -0.01045 -0.00120 0.00286 46 6D+1 -0.00000 0.00224 0.00000 -0.00000 -0.00000 47 6D-1 0.00000 -0.00492 -0.00000 -0.00000 0.00000 48 6D+2 0.00604 -0.00000 -0.00383 -0.00711 0.00783 49 6D-2 0.00725 -0.00000 -0.00220 0.00265 0.00974 50 7D 0 0.00022 0.00000 -0.00195 -0.00238 0.00026 51 7D+1 -0.00000 0.00247 0.00000 -0.00000 -0.00000 52 7D-1 0.00000 -0.00652 -0.00000 0.00000 0.00000 53 7D+2 0.00406 -0.00000 -0.00423 -0.00292 0.00551 54 7D-2 0.00882 -0.00000 -0.00321 0.00483 0.01189 55 3 O 1S 0.01313 -0.00000 -0.00785 -0.00511 0.01264 56 2S 0.02114 -0.00000 -0.01192 -0.00793 0.02024 57 2PX 0.03523 -0.00000 -0.04257 0.00693 0.05107 58 2PY -0.07647 0.00000 0.11354 0.04540 -0.10480 59 2PZ 0.00000 0.07463 -0.00000 -0.00000 0.00000 60 3S -0.06145 0.00000 0.02584 0.02225 -0.05847 61 3PX 0.05040 -0.00000 -0.06065 0.01030 0.07297 62 3PY -0.10862 0.00000 0.16098 0.06565 -0.14851 63 3PZ 0.00000 0.11014 -0.00000 -0.00000 0.00000 64 4S 0.00442 -0.00000 -0.06715 -0.00330 0.02811 65 4PX 0.02890 -0.00000 -0.03602 -0.00057 0.04288 66 4PY -0.06576 0.00000 0.08949 0.03689 -0.09033 67 4PZ 0.00000 0.09136 -0.00000 -0.00000 0.00000 68 5S 0.02658 -0.00000 -0.04676 -0.02035 0.03702 69 5PX -0.00286 -0.00000 0.00016 -0.02066 -0.00431 70 5PY -0.00879 0.00000 -0.00646 -0.00601 -0.01260 71 5PZ 0.00000 0.00455 0.00000 -0.00000 0.00000 72 6D 0 0.00232 -0.00000 -0.00364 -0.00116 0.00313 73 6D+1 -0.00000 -0.00083 0.00000 0.00000 -0.00000 74 6D-1 0.00000 0.00236 -0.00000 -0.00000 0.00000 75 6D+2 0.00283 -0.00000 -0.00492 -0.00335 0.00367 76 6D-2 0.00325 -0.00000 -0.00391 0.00088 0.00446 77 7D 0 0.00320 -0.00000 -0.00584 -0.00131 0.00427 78 7D+1 -0.00000 -0.00318 0.00000 0.00000 -0.00000 79 7D-1 0.00000 0.01059 -0.00000 -0.00000 0.00000 80 7D+2 0.00282 0.00000 -0.00890 -0.00834 0.00326 81 7D-2 0.00492 -0.00000 -0.00686 0.00427 0.00687 82 4 H 1S 0.01308 -0.00000 0.08859 -0.09905 0.01575 83 2S 0.01598 -0.00000 0.11343 -0.15007 0.01837 84 3S -0.00251 0.00000 -0.00648 -0.05597 -0.00519 85 4PX 0.00345 -0.00000 0.01814 -0.01266 0.00452 86 4PY 0.00332 -0.00000 -0.00272 0.00364 0.00470 87 4PZ -0.00000 0.00347 0.00000 -0.00000 -0.00000 88 5 H 1S -0.00821 0.00677 -0.01894 -0.00616 -0.01203 89 2S -0.01298 0.00753 -0.02980 -0.01131 -0.01920 90 3S -0.01514 -0.00111 -0.01532 -0.00754 -0.02159 91 4PX -0.00156 0.00047 -0.00264 -0.00157 -0.00227 92 4PY -0.00220 -0.00061 -0.00196 -0.00244 -0.00308 93 4PZ 0.00063 -0.00033 0.00192 0.00037 0.00093 94 6 O 1S -0.00017 0.00000 -0.00032 0.00010 -0.00037 95 2S -0.00028 0.00000 -0.00062 0.00082 -0.00078 96 2PX 0.01075 -0.00000 0.02297 0.01822 0.01692 97 2PY 0.00745 -0.00000 0.01739 0.01098 0.01261 98 2PZ -0.00000 -0.01033 -0.00000 0.00000 -0.00000 99 3S 0.00047 -0.00000 0.00194 -0.00583 0.00239 100 3PX 0.01574 -0.00000 0.03305 0.02640 0.02471 101 3PY 0.01011 -0.00000 0.02507 0.01570 0.01728 102 3PZ -0.00000 -0.01495 -0.00000 0.00000 -0.00000 103 4S 0.00909 -0.00000 0.02033 0.00630 0.01528 104 4PX 0.01430 0.00000 0.02939 0.02706 0.02241 105 4PY 0.00881 -0.00000 0.01953 0.01334 0.01482 106 4PZ -0.00000 -0.01447 -0.00000 0.00000 -0.00000 107 5S 0.00108 -0.00000 0.00912 0.00013 0.00178 108 5PX 0.00311 0.00000 0.00632 0.01043 0.00488 109 5PY 0.01058 -0.00000 0.00973 0.00990 0.01565 110 5PZ -0.00000 -0.00435 -0.00000 -0.00000 -0.00000 111 6D 0 0.00026 -0.00000 0.00066 0.00041 0.00042 112 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 6D-1 0.00000 0.00005 0.00000 0.00000 0.00000 114 6D+2 0.00032 -0.00000 0.00058 0.00071 0.00049 115 6D-2 0.00032 -0.00000 0.00052 0.00048 0.00044 116 7D 0 0.00033 -0.00000 0.00051 -0.00016 0.00047 117 7D+1 -0.00000 -0.00048 -0.00000 -0.00000 -0.00000 118 7D-1 0.00000 0.00054 0.00000 0.00000 0.00000 119 7D+2 0.00119 -0.00000 0.00178 0.00179 0.00171 120 7D-2 0.00135 -0.00000 0.00144 0.00141 0.00180 121 7 H 1S -0.00636 0.00000 -0.01579 -0.01141 -0.01009 122 2S -0.01272 0.00000 -0.02648 -0.02054 -0.01960 123 3S 0.00305 -0.00000 -0.00823 -0.00520 0.00426 124 4PX 0.00036 -0.00000 0.00119 0.00036 0.00052 125 4PY -0.00132 0.00000 -0.00116 -0.00112 -0.00211 126 4PZ 0.00000 -0.00024 0.00000 0.00000 0.00000 127 8 H 1S -0.00821 -0.00677 -0.01894 -0.00616 -0.01203 128 2S -0.01298 -0.00753 -0.02980 -0.01131 -0.01920 129 3S -0.01514 0.00111 -0.01532 -0.00754 -0.02159 130 4PX -0.00156 -0.00047 -0.00264 -0.00157 -0.00227 131 4PY -0.00220 0.00061 -0.00196 -0.00244 -0.00308 132 4PZ -0.00063 -0.00033 -0.00192 -0.00037 -0.00093 36 37 38 39 40 36 3PZ 0.11922 37 4S -0.00000 0.17586 38 4PX -0.00000 -0.00553 0.04546 39 4PY -0.00000 0.02766 0.00568 0.04046 40 4PZ 0.07836 -0.00000 -0.00000 -0.00000 0.05178 41 5S 0.00000 0.00299 0.00665 -0.00286 0.00000 42 5PX -0.00000 -0.00810 0.00626 -0.00016 -0.00000 43 5PY 0.00000 0.00623 0.00270 0.00026 -0.00000 44 5PZ 0.01314 -0.00000 -0.00000 -0.00000 0.00915 45 6D 0 0.00000 -0.00354 0.00022 0.00059 0.00000 46 6D+1 0.00335 0.00000 -0.00000 -0.00000 0.00216 47 6D-1 -0.00727 -0.00000 0.00000 0.00000 -0.00477 48 6D+2 -0.00000 0.00192 -0.00310 0.00235 -0.00000 49 6D-2 -0.00000 0.00279 0.00298 0.00459 0.00000 50 7D 0 0.00000 -0.00046 -0.00102 0.00046 0.00000 51 7D+1 0.00369 -0.00000 -0.00000 -0.00000 0.00226 52 7D-1 -0.00957 -0.00000 0.00000 0.00000 -0.00634 53 7D+2 -0.00000 -0.00047 -0.00254 0.00110 -0.00000 54 7D-2 -0.00000 0.00366 0.00538 0.00679 -0.00000 55 3 O 1S -0.00000 0.03928 0.01091 -0.00725 0.00000 56 2S -0.00000 0.05460 0.01367 -0.00910 0.00000 57 2PX -0.00000 -0.02385 -0.00421 0.01222 -0.00000 58 2PY 0.00000 0.03972 0.01180 -0.05115 0.00000 59 2PZ 0.11069 -0.00000 -0.00000 0.00000 0.07252 60 3S 0.00000 -0.13403 -0.02650 0.01806 -0.00000 61 3PX -0.00000 -0.03354 -0.00584 0.01701 -0.00000 62 3PY 0.00000 0.05487 0.01690 -0.07214 0.00000 63 3PZ 0.16337 -0.00000 -0.00000 0.00000 0.10704 64 4S -0.00000 -0.14540 -0.02830 0.04933 -0.00000 65 4PX -0.00000 -0.02574 -0.01191 0.00564 -0.00000 66 4PY 0.00000 0.03064 0.00768 -0.04709 0.00000 67 4PZ 0.13551 -0.00000 -0.00000 0.00000 0.08876 68 5S -0.00000 -0.02105 -0.00830 0.01823 -0.00000 69 5PX -0.00000 -0.00142 -0.01337 -0.00547 0.00000 70 5PY 0.00000 -0.00607 -0.00380 -0.00678 0.00000 71 5PZ 0.00666 0.00000 -0.00000 0.00000 0.00396 72 6D 0 -0.00000 -0.00105 -0.00027 0.00127 -0.00000 73 6D+1 -0.00124 0.00000 0.00000 -0.00000 -0.00081 74 6D-1 0.00351 -0.00000 -0.00000 0.00000 0.00230 75 6D+2 -0.00000 -0.00101 -0.00105 0.00149 -0.00000 76 6D-2 -0.00000 -0.00100 0.00067 0.00162 -0.00000 77 7D 0 -0.00000 -0.00169 -0.00002 0.00180 -0.00000 78 7D+1 -0.00472 0.00000 0.00000 -0.00000 -0.00313 79 7D-1 0.01573 -0.00000 -0.00000 0.00000 0.01029 80 7D+2 0.00000 -0.00214 -0.00290 0.00130 0.00000 81 7D-2 -0.00000 -0.00257 0.00208 0.00188 -0.00000 82 4 H 1S -0.00000 0.06179 -0.05176 0.00733 -0.00000 83 2S -0.00000 0.08149 -0.07776 0.00781 -0.00000 84 3S 0.00000 -0.00189 -0.03127 -0.00790 0.00000 85 4PX -0.00000 0.01271 -0.00637 0.00256 -0.00000 86 4PY -0.00000 -0.00060 0.00208 0.00202 -0.00000 87 4PZ 0.00516 0.00000 -0.00000 -0.00000 0.00340 88 5 H 1S 0.01076 -0.01525 -0.00169 -0.01348 0.00693 89 2S 0.01226 -0.02235 -0.00350 -0.01979 0.00798 90 3S -0.00118 -0.01395 -0.00435 -0.01218 0.00092 91 4PX 0.00072 -0.00163 -0.00066 -0.00124 0.00046 92 4PY -0.00098 -0.00167 -0.00158 -0.00114 -0.00060 93 4PZ -0.00053 0.00152 -0.00011 0.00155 -0.00033 94 6 O 1S 0.00000 -0.01511 -0.00754 -0.00427 0.00000 95 2S 0.00000 -0.02051 -0.00937 -0.00683 0.00000 96 2PX -0.00000 0.01517 0.00764 0.00898 0.00000 97 2PY -0.00000 0.01812 0.00910 0.01406 -0.00000 98 2PZ -0.01539 -0.00000 0.00000 -0.00000 -0.01690 99 3S -0.00000 0.04717 0.01752 0.01992 -0.00000 100 3PX -0.00000 0.02109 0.01064 0.01269 0.00000 101 3PY -0.00000 0.02573 0.01298 0.01976 -0.00000 102 3PZ -0.02226 -0.00000 0.00000 -0.00000 -0.02451 103 4S -0.00000 0.05463 0.02125 0.02637 -0.00000 104 4PX -0.00000 0.01989 0.01241 0.01245 0.00000 105 4PY -0.00000 0.02064 0.01050 0.01589 -0.00000 106 4PZ -0.02163 -0.00000 0.00000 -0.00000 -0.02325 107 5S -0.00000 0.00761 0.00081 0.00334 -0.00000 108 5PX 0.00000 0.00480 0.00595 0.00359 0.00000 109 5PY -0.00000 0.00719 0.00461 0.00881 -0.00000 110 5PZ -0.00668 -0.00000 0.00000 -0.00000 -0.00647 111 6D 0 -0.00000 0.00029 0.00012 0.00027 -0.00000 112 6D+1 -0.00001 -0.00000 -0.00000 -0.00000 0.00008 113 6D-1 0.00008 0.00000 0.00000 0.00000 0.00011 114 6D+2 -0.00000 0.00058 0.00054 0.00050 -0.00000 115 6D-2 -0.00000 0.00016 0.00012 0.00016 -0.00000 116 7D 0 -0.00000 0.00011 -0.00029 0.00021 -0.00000 117 7D+1 -0.00076 -0.00000 0.00000 -0.00000 0.00001 118 7D-1 0.00082 0.00000 0.00000 0.00000 0.00083 119 7D+2 -0.00000 0.00186 0.00145 0.00143 -0.00000 120 7D-2 -0.00000 0.00001 0.00008 0.00039 -0.00000 121 7 H 1S 0.00000 -0.01028 -0.00662 -0.00940 0.00000 122 2S 0.00000 -0.02256 -0.01381 -0.01763 0.00000 123 3S -0.00000 -0.00931 -0.00563 -0.00271 0.00000 124 4PX -0.00000 0.00139 0.00045 0.00044 0.00000 125 4PY 0.00000 0.00018 -0.00010 -0.00118 0.00000 126 4PZ -0.00037 -0.00000 0.00000 0.00000 -0.00089 127 8 H 1S -0.01076 -0.01525 -0.00169 -0.01348 -0.00693 128 2S -0.01226 -0.02235 -0.00350 -0.01979 -0.00798 129 3S 0.00118 -0.01395 -0.00435 -0.01218 -0.00092 130 4PX -0.00072 -0.00163 -0.00066 -0.00124 -0.00046 131 4PY 0.00098 -0.00167 -0.00158 -0.00114 0.00060 132 4PZ -0.00053 -0.00152 0.00011 -0.00155 -0.00033 41 42 43 44 45 41 5S 0.05499 42 5PX 0.00932 0.00273 43 5PY 0.01573 0.00212 0.00655 44 5PZ -0.00000 -0.00000 -0.00000 0.00242 45 6D 0 -0.00156 -0.00018 -0.00014 0.00000 0.00034 46 6D+1 0.00000 0.00000 0.00000 0.00030 -0.00000 47 6D-1 -0.00000 -0.00000 0.00000 -0.00079 -0.00000 48 6D+2 -0.00188 -0.00084 0.00050 -0.00000 0.00033 49 6D-2 -0.00405 -0.00036 -0.00157 0.00000 0.00023 50 7D 0 0.00100 -0.00000 0.00037 0.00000 0.00008 51 7D+1 0.00000 0.00000 0.00000 0.00009 -0.00000 52 7D-1 0.00000 0.00000 0.00000 -0.00115 -0.00000 53 7D+2 0.00492 0.00037 0.00332 -0.00000 0.00032 54 7D-2 -0.00653 -0.00048 -0.00328 0.00000 0.00025 55 3 O 1S -0.02399 -0.00626 0.00012 -0.00000 0.00173 56 2S -0.03065 -0.00856 0.00065 -0.00000 0.00256 57 2PX 0.02014 0.00348 0.01720 -0.00000 0.00168 58 2PY 0.03600 0.00426 0.01326 -0.00000 -0.00400 59 2PZ -0.00000 -0.00000 -0.00000 0.01177 0.00000 60 3S 0.06293 0.02007 -0.00352 0.00000 -0.00656 61 3PX 0.02866 0.00491 0.02483 -0.00000 0.00241 62 3PY 0.05230 0.00637 0.01908 -0.00000 -0.00573 63 3PZ -0.00000 -0.00000 -0.00000 0.01737 0.00000 64 4S 0.04038 0.01593 -0.00473 0.00000 -0.00229 65 4PX 0.02851 0.00384 0.02235 -0.00000 0.00139 66 4PY 0.03586 0.00395 0.01540 -0.00000 -0.00312 67 4PZ -0.00000 -0.00000 -0.00000 0.01437 0.00000 68 5S -0.00975 -0.00114 -0.00281 0.00000 0.00152 69 5PX 0.00473 -0.00095 0.00424 -0.00000 0.00008 70 5PY -0.00014 -0.00031 0.00008 -0.00000 -0.00002 71 5PZ 0.00000 0.00000 -0.00000 -0.00005 0.00000 72 6D 0 -0.00085 -0.00012 -0.00015 -0.00000 0.00014 73 6D+1 0.00000 0.00000 -0.00000 -0.00014 -0.00000 74 6D-1 -0.00000 -0.00000 -0.00000 0.00038 0.00000 75 6D+2 -0.00194 -0.00040 -0.00054 0.00000 0.00020 76 6D-2 -0.00050 0.00003 0.00018 -0.00000 0.00017 77 7D 0 -0.00122 -0.00013 -0.00030 -0.00000 0.00021 78 7D+1 0.00000 0.00000 -0.00000 -0.00058 -0.00000 79 7D-1 -0.00000 -0.00000 -0.00000 0.00164 0.00000 80 7D+2 -0.00432 -0.00095 -0.00155 0.00000 0.00031 81 7D-2 -0.00016 0.00030 0.00089 -0.00000 0.00025 82 4 H 1S -0.00572 -0.00947 0.00104 -0.00000 -0.00100 83 2S -0.00934 -0.01408 0.00137 -0.00000 -0.00119 84 3S -0.00053 -0.00398 0.00384 -0.00000 0.00040 85 4PX -0.00096 -0.00141 -0.00005 -0.00000 -0.00023 86 4PY 0.00024 0.00032 0.00027 -0.00000 0.00012 87 4PZ -0.00000 -0.00000 -0.00000 0.00059 0.00000 88 5 H 1S -0.00645 -0.00084 -0.00225 0.00088 -0.00013 89 2S -0.01196 -0.00177 -0.00406 0.00115 -0.00010 90 3S -0.00358 -0.00060 -0.00167 0.00305 -0.00006 91 4PX -0.00006 -0.00006 -0.00010 0.00005 0.00002 92 4PY 0.00147 0.00007 0.00060 -0.00001 0.00004 93 4PZ 0.00090 0.00011 0.00032 -0.00001 0.00003 94 6 O 1S 0.01076 0.00361 -0.00075 0.00000 0.00001 95 2S 0.01264 0.00467 -0.00176 0.00000 -0.00000 96 2PX 0.02404 0.00303 0.01338 0.00000 0.00012 97 2PY 0.06638 0.00921 0.02070 -0.00000 -0.00002 98 2PZ -0.00000 0.00000 -0.00000 -0.01451 0.00000 99 3S -0.02049 -0.00980 0.00725 -0.00000 0.00012 100 3PX 0.03522 0.00452 0.01950 0.00000 0.00019 101 3PY 0.09528 0.01325 0.02958 -0.00000 -0.00006 102 3PZ -0.00000 0.00000 -0.00000 -0.02111 0.00000 103 4S 0.01430 -0.00380 0.01710 -0.00000 0.00013 104 4PX 0.03145 0.00436 0.01621 0.00000 0.00008 105 4PY 0.06653 0.00906 0.02176 -0.00000 -0.00002 106 4PZ -0.00000 0.00000 -0.00000 -0.01944 0.00000 107 5S 0.01700 0.00204 0.00557 -0.00000 0.00006 108 5PX 0.00278 0.00079 0.00108 0.00000 -0.00010 109 5PY 0.00637 0.00131 0.00276 -0.00000 0.00001 110 5PZ -0.00000 0.00000 -0.00000 -0.00466 0.00000 111 6D 0 0.00139 0.00022 0.00045 -0.00000 0.00000 112 6D+1 -0.00000 -0.00000 -0.00000 0.00017 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00011 -0.00000 114 6D+2 0.00145 0.00027 0.00022 -0.00000 -0.00001 115 6D-2 -0.00078 -0.00007 -0.00028 0.00000 -0.00001 116 7D 0 0.00207 0.00030 0.00068 -0.00000 0.00003 117 7D+1 0.00000 -0.00000 0.00000 0.00088 0.00000 118 7D-1 0.00000 -0.00000 -0.00000 0.00064 -0.00000 119 7D+2 0.00055 0.00021 -0.00040 -0.00000 -0.00005 120 7D-2 -0.00477 -0.00047 -0.00170 0.00000 -0.00002 121 7 H 1S -0.04952 -0.00800 -0.01255 0.00000 0.00008 122 2S -0.06129 -0.00959 -0.01652 0.00000 0.00012 123 3S -0.01386 -0.00196 -0.00257 0.00000 0.00012 124 4PX 0.00140 0.00010 0.00073 0.00000 0.00002 125 4PY -0.01041 -0.00170 -0.00287 0.00000 -0.00002 126 4PZ 0.00000 0.00000 0.00000 -0.00127 0.00000 127 8 H 1S -0.00645 -0.00084 -0.00225 -0.00088 -0.00013 128 2S -0.01196 -0.00177 -0.00406 -0.00115 -0.00010 129 3S -0.00358 -0.00060 -0.00167 -0.00305 -0.00006 130 4PX -0.00006 -0.00006 -0.00010 -0.00005 0.00002 131 4PY 0.00147 0.00007 0.00060 0.00001 0.00004 132 4PZ -0.00090 -0.00011 -0.00032 -0.00001 -0.00003 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 -0.00017 0.00069 48 6D+2 -0.00000 0.00000 0.00143 49 6D-2 -0.00000 -0.00000 -0.00029 0.00155 50 7D 0 0.00000 -0.00000 0.00014 -0.00003 0.00015 51 7D+1 0.00013 -0.00021 0.00000 -0.00000 0.00000 52 7D-1 -0.00017 0.00126 0.00000 -0.00000 -0.00000 53 7D+2 0.00000 0.00000 0.00219 -0.00162 0.00025 54 7D-2 -0.00000 -0.00000 -0.00102 0.00281 -0.00003 55 3 O 1S -0.00000 0.00000 0.00252 0.00191 -0.00119 56 2S -0.00000 0.00000 0.00388 0.00294 -0.00104 57 2PX 0.00000 0.00000 0.01143 -0.00901 0.00030 58 2PY 0.00000 -0.00000 -0.00349 -0.00975 -0.00142 59 2PZ 0.00290 -0.00864 0.00000 0.00000 0.00000 60 3S 0.00000 -0.00000 -0.01080 -0.00796 0.00015 61 3PX 0.00000 0.00000 0.01651 -0.01305 0.00039 62 3PY 0.00000 -0.00000 -0.00497 -0.01398 -0.00200 63 3PZ 0.00428 -0.01273 0.00000 0.00000 0.00000 64 4S 0.00000 -0.00000 -0.00377 -0.00314 0.00139 65 4PX 0.00000 0.00000 0.01400 -0.01323 0.00028 66 4PY 0.00000 -0.00000 -0.00087 -0.01074 -0.00107 67 4PZ 0.00354 -0.01063 -0.00000 0.00000 0.00000 68 5S -0.00000 0.00000 0.00263 0.00175 0.00069 69 5PX 0.00000 0.00000 0.00350 -0.00401 0.00022 70 5PY 0.00000 0.00000 0.00032 -0.00128 -0.00001 71 5PZ 0.00016 -0.00109 -0.00000 0.00000 0.00000 72 6D 0 -0.00000 0.00000 0.00022 0.00017 0.00004 73 6D+1 -0.00003 0.00009 -0.00000 -0.00000 -0.00000 74 6D-1 0.00009 -0.00025 0.00000 0.00000 0.00000 75 6D+2 -0.00000 0.00000 0.00024 0.00035 0.00007 76 6D-2 -0.00000 0.00000 0.00036 0.00010 0.00001 77 7D 0 -0.00000 0.00000 0.00018 0.00038 0.00006 78 7D+1 -0.00013 0.00030 -0.00000 -0.00000 -0.00000 79 7D-1 0.00043 -0.00111 -0.00000 0.00000 0.00000 80 7D+2 -0.00000 0.00000 0.00020 0.00068 0.00012 81 7D-2 -0.00000 0.00000 0.00084 -0.00029 -0.00006 82 4 H 1S 0.00000 0.00000 0.00629 -0.00325 0.00102 83 2S 0.00000 0.00000 0.00973 -0.00533 0.00162 84 3S 0.00000 0.00000 0.00668 -0.00603 0.00059 85 4PX 0.00000 0.00000 0.00065 -0.00004 0.00013 86 4PY -0.00000 0.00000 0.00010 0.00028 -0.00000 87 4PZ 0.00014 -0.00033 -0.00000 0.00000 0.00000 88 5 H 1S 0.00075 0.00264 -0.00133 -0.00059 -0.00101 89 2S 0.00102 0.00437 -0.00154 -0.00091 -0.00137 90 3S 0.00008 0.00270 -0.00080 -0.00115 -0.00026 91 4PX 0.00004 0.00007 0.00010 -0.00018 0.00001 92 4PY -0.00008 -0.00029 0.00014 -0.00043 0.00013 93 4PZ -0.00005 -0.00018 0.00019 0.00002 0.00015 94 6 O 1S -0.00000 -0.00000 -0.00011 0.00000 -0.00036 95 2S 0.00000 -0.00000 -0.00016 -0.00003 -0.00067 96 2PX -0.00000 -0.00000 -0.00314 -0.00029 0.00069 97 2PY 0.00000 0.00000 0.00011 -0.00071 0.00254 98 2PZ 0.00031 -0.00060 -0.00000 0.00000 0.00000 99 3S -0.00000 0.00000 0.00032 0.00022 0.00233 100 3PX -0.00000 -0.00000 -0.00458 -0.00048 0.00097 101 3PY 0.00000 0.00000 0.00014 -0.00105 0.00363 102 3PZ 0.00046 -0.00086 -0.00000 0.00000 0.00000 103 4S -0.00000 -0.00000 -0.00113 0.00070 0.00307 104 4PX -0.00000 -0.00000 -0.00399 0.00019 0.00085 105 4PY 0.00000 0.00000 0.00019 -0.00090 0.00263 106 4PZ 0.00034 -0.00105 -0.00000 0.00000 0.00000 107 5S -0.00000 -0.00000 -0.00156 0.00062 0.00076 108 5PX -0.00000 0.00000 -0.00090 0.00080 0.00002 109 5PY -0.00000 0.00000 0.00047 0.00034 0.00020 110 5PZ -0.00008 -0.00100 -0.00000 0.00000 0.00000 111 6D 0 -0.00000 -0.00000 -0.00006 -0.00001 0.00004 112 6D+1 -0.00002 -0.00003 0.00000 -0.00000 0.00000 113 6D-1 -0.00000 0.00002 -0.00000 0.00000 -0.00000 114 6D+2 -0.00000 0.00000 0.00003 0.00009 0.00005 115 6D-2 -0.00000 -0.00000 -0.00000 0.00006 -0.00004 116 7D 0 -0.00000 -0.00000 -0.00013 0.00001 0.00007 117 7D+1 -0.00011 -0.00008 0.00000 -0.00000 0.00000 118 7D-1 0.00001 0.00013 0.00000 0.00000 -0.00000 119 7D+2 -0.00000 0.00000 0.00017 0.00033 0.00002 120 7D-2 -0.00000 0.00000 0.00020 0.00019 -0.00022 121 7 H 1S 0.00000 0.00000 0.00067 -0.00068 -0.00155 122 2S 0.00000 0.00000 0.00132 -0.00186 -0.00216 123 3S 0.00000 0.00000 0.00185 -0.00174 -0.00074 124 4PX -0.00000 -0.00000 -0.00041 0.00018 0.00008 125 4PY -0.00000 -0.00000 -0.00017 0.00028 -0.00028 126 4PZ 0.00005 -0.00017 -0.00000 0.00000 0.00000 127 8 H 1S -0.00075 -0.00264 -0.00133 -0.00059 -0.00101 128 2S -0.00102 -0.00437 -0.00154 -0.00091 -0.00137 129 3S -0.00008 -0.00270 -0.00080 -0.00115 -0.00026 130 4PX -0.00004 -0.00007 0.00010 -0.00018 0.00001 131 4PY 0.00008 0.00029 0.00014 -0.00043 0.00013 132 4PZ -0.00005 -0.00018 -0.00019 -0.00002 -0.00015 51 52 53 54 55 51 7D+1 0.00022 52 7D-1 -0.00022 0.00262 53 7D+2 0.00000 0.00000 0.00525 54 7D-2 -0.00000 -0.00000 -0.00375 0.00560 55 3 O 1S -0.00000 0.00000 0.00290 0.00198 0.63964 56 2S -0.00000 0.00000 0.00381 0.00293 0.56897 57 2PX 0.00000 0.00000 0.02676 -0.02195 -0.00314 58 2PY 0.00000 0.00000 0.00467 -0.01638 0.01054 59 2PZ 0.00345 -0.01398 -0.00000 0.00000 -0.00000 60 3S 0.00000 -0.00000 -0.00852 -0.00739 -0.13311 61 3PX 0.00000 0.00000 0.03866 -0.03179 -0.00330 62 3PY 0.00000 0.00000 0.00681 -0.02349 0.01196 63 3PZ 0.00509 -0.02059 -0.00000 0.00000 -0.00000 64 4S 0.00000 -0.00000 -0.00197 -0.00220 -0.14236 65 4PX 0.00000 0.00000 0.03382 -0.03057 -0.00419 66 4PY 0.00000 0.00000 0.00940 -0.01935 0.00681 67 4PZ 0.00423 -0.01726 -0.00000 0.00000 -0.00000 68 5S -0.00000 0.00000 0.00197 0.00231 -0.00509 69 5PX 0.00000 0.00000 0.00776 -0.00843 0.00061 70 5PY 0.00000 0.00000 0.00114 -0.00220 -0.00037 71 5PZ 0.00042 -0.00231 -0.00000 0.00000 0.00000 72 6D 0 -0.00000 0.00000 0.00015 0.00021 -0.00003 73 6D+1 -0.00004 0.00015 -0.00000 -0.00000 -0.00000 74 6D-1 0.00011 -0.00038 -0.00000 0.00000 0.00000 75 6D+2 -0.00000 -0.00000 -0.00010 0.00055 0.00025 76 6D-2 -0.00000 0.00000 0.00056 -0.00004 0.00030 77 7D 0 -0.00000 0.00000 -0.00007 0.00059 0.00077 78 7D+1 -0.00013 0.00043 -0.00000 -0.00000 -0.00000 79 7D-1 0.00051 -0.00168 -0.00000 0.00000 0.00000 80 7D+2 -0.00000 -0.00000 -0.00075 0.00127 0.00141 81 7D-2 0.00000 0.00000 0.00181 -0.00102 0.00093 82 4 H 1S 0.00000 0.00000 0.00691 -0.00705 0.00292 83 2S 0.00000 0.00000 0.01096 -0.01112 0.00296 84 3S 0.00000 0.00000 0.01235 -0.01243 0.00331 85 4PX -0.00000 0.00000 0.00031 -0.00015 0.00020 86 4PY -0.00000 0.00000 0.00021 0.00034 0.00078 87 4PZ 0.00015 -0.00045 -0.00000 0.00000 0.00000 88 5 H 1S 0.00064 0.00816 -0.00451 -0.00136 -0.00076 89 2S 0.00076 0.01297 -0.00590 -0.00184 0.00036 90 3S -0.00091 0.00688 -0.00149 -0.00182 -0.00140 91 4PX 0.00004 0.00024 0.00018 -0.00020 0.00016 92 4PY -0.00008 -0.00088 0.00063 -0.00078 -0.00030 93 4PZ -0.00005 -0.00055 0.00069 0.00005 0.00004 94 6 O 1S 0.00000 0.00000 0.00209 -0.00189 -0.00015 95 2S 0.00000 0.00000 0.00273 -0.00259 -0.00022 96 2PX -0.00000 -0.00000 -0.00338 -0.00370 -0.00131 97 2PY -0.00000 0.00000 0.00585 0.00029 -0.00197 98 2PZ 0.00361 -0.00140 -0.00000 0.00000 0.00000 99 3S -0.00000 -0.00000 -0.00588 0.00607 0.00047 100 3PX -0.00000 -0.00000 -0.00482 -0.00570 -0.00180 101 3PY -0.00000 0.00000 0.00839 0.00041 -0.00296 102 3PZ 0.00526 -0.00197 -0.00000 0.00000 0.00000 103 4S -0.00000 -0.00000 -0.00488 0.00549 0.00120 104 4PX -0.00000 -0.00000 -0.00432 -0.00310 -0.00164 105 4PY -0.00000 0.00000 0.00609 -0.00013 -0.00215 106 4PZ 0.00475 -0.00265 -0.00000 0.00000 0.00000 107 5S -0.00000 -0.00000 -0.00171 0.00085 0.00086 108 5PX -0.00000 0.00000 -0.00152 0.00155 -0.00058 109 5PY -0.00000 0.00000 0.00161 0.00020 -0.00121 110 5PZ 0.00099 -0.00282 -0.00000 0.00000 0.00000 111 6D 0 0.00000 -0.00000 0.00004 -0.00006 -0.00009 112 6D+1 -0.00006 -0.00011 0.00000 0.00000 0.00000 113 6D-1 -0.00003 0.00006 0.00000 0.00000 -0.00000 114 6D+2 -0.00000 0.00000 0.00016 0.00031 -0.00001 115 6D-2 0.00000 -0.00000 -0.00005 0.00007 0.00006 116 7D 0 0.00000 -0.00000 -0.00003 -0.00016 0.00022 117 7D+1 -0.00035 -0.00040 0.00000 0.00000 -0.00000 118 7D-1 -0.00014 0.00036 0.00000 0.00000 0.00000 119 7D+2 -0.00000 0.00000 0.00025 0.00103 0.00028 120 7D-2 0.00000 -0.00000 0.00011 0.00016 0.00019 121 7 H 1S 0.00000 -0.00000 -0.00323 -0.00210 0.00063 122 2S 0.00000 -0.00000 -0.00250 -0.00497 0.00053 123 3S 0.00000 0.00000 0.00274 -0.00466 -0.00211 124 4PX -0.00000 -0.00000 -0.00077 0.00020 0.00022 125 4PY -0.00000 -0.00000 -0.00141 0.00061 0.00061 126 4PZ 0.00038 -0.00035 -0.00000 0.00000 0.00000 127 8 H 1S -0.00064 -0.00816 -0.00451 -0.00136 -0.00076 128 2S -0.00076 -0.01297 -0.00590 -0.00184 0.00036 129 3S 0.00091 -0.00688 -0.00149 -0.00182 -0.00140 130 4PX -0.00004 -0.00024 0.00018 -0.00020 0.00016 131 4PY 0.00008 0.00088 0.00063 -0.00078 -0.00030 132 4PZ -0.00005 -0.00055 -0.00069 -0.00005 -0.00004 56 57 58 59 60 56 2S 0.52326 57 2PX -0.00480 0.17292 58 2PY 0.01639 0.01339 0.14351 59 2PZ -0.00000 -0.00000 -0.00000 0.11727 60 3S -0.22537 0.01236 -0.04842 0.00000 0.69497 61 3PX -0.00531 0.24966 0.02084 -0.00000 0.01425 62 3PY 0.01960 0.02100 0.20351 -0.00000 -0.06191 63 3PZ -0.00000 -0.00000 -0.00000 0.17295 0.00000 64 4S -0.21807 0.04983 -0.12266 0.00000 0.60142 65 4PX -0.00712 0.21640 0.03508 -0.00000 0.02060 66 4PY 0.01421 0.04270 0.13479 -0.00000 -0.05462 67 4PZ -0.00000 -0.00000 -0.00000 0.14398 0.00000 68 5S -0.00954 0.01637 -0.04879 0.00000 0.03305 69 5PX 0.00082 0.04390 0.01452 -0.00000 -0.00242 70 5PY -0.00008 0.00478 0.00810 -0.00000 -0.00154 71 5PZ 0.00000 -0.00000 -0.00000 0.01166 0.00000 72 6D 0 0.00007 0.00126 -0.00333 -0.00000 -0.00056 73 6D+1 -0.00000 -0.00000 0.00000 -0.00129 0.00000 74 6D-1 0.00000 -0.00000 -0.00000 0.00353 -0.00000 75 6D+2 0.00056 -0.00051 -0.00521 0.00000 -0.00208 76 6D-2 0.00059 0.00400 -0.00258 -0.00000 -0.00199 77 7D 0 0.00089 0.00001 -0.00529 -0.00000 -0.00129 78 7D+1 -0.00000 -0.00000 0.00000 -0.00449 0.00000 79 7D-1 0.00000 -0.00000 -0.00000 0.01582 -0.00000 80 7D+2 0.00190 -0.00523 -0.00910 0.00000 -0.00412 81 7D-2 0.00139 0.01265 -0.00081 -0.00000 -0.00372 82 4 H 1S 0.00500 0.02472 -0.00310 0.00000 -0.01728 83 2S 0.00611 0.04143 -0.00543 0.00000 -0.02460 84 3S 0.00397 0.06580 0.01129 -0.00000 -0.00787 85 4PX 0.00070 -0.00044 -0.00145 -0.00000 -0.00357 86 4PY 0.00083 0.00208 -0.00247 0.00000 -0.00096 87 4PZ -0.00000 -0.00000 0.00000 0.00489 0.00000 88 5 H 1S -0.00124 -0.00046 0.00451 -0.01492 0.00418 89 2S 0.00016 -0.00098 0.00641 -0.02733 0.00163 90 3S -0.00176 -0.00467 0.00860 -0.02223 0.00358 91 4PX 0.00018 0.00072 0.00074 -0.00015 -0.00024 92 4PY -0.00044 0.00188 0.00159 0.00168 0.00113 93 4PZ 0.00008 0.00009 -0.00043 0.00113 -0.00038 94 6 O 1S -0.00022 0.00213 0.00138 -0.00000 0.00026 95 2S -0.00033 0.00348 0.00229 -0.00000 0.00053 96 2PX -0.00213 0.00114 0.00547 -0.00000 0.00676 97 2PY -0.00325 0.01429 0.00221 -0.00000 0.01088 98 2PZ 0.00000 -0.00000 -0.00000 0.00210 -0.00000 99 3S 0.00079 -0.01154 -0.00739 0.00000 -0.00154 100 3PX -0.00301 0.00240 0.00819 -0.00000 0.00979 101 3PY -0.00483 0.02029 0.00364 -0.00000 0.01594 102 3PZ 0.00000 -0.00000 -0.00000 0.00295 -0.00000 103 4S 0.00143 -0.01259 -0.00663 0.00000 -0.00123 104 4PX -0.00253 -0.00193 0.00535 -0.00000 0.00761 105 4PY -0.00371 0.01767 0.00300 -0.00000 0.01280 106 4PZ 0.00000 -0.00000 -0.00000 0.00416 -0.00000 107 5S 0.00104 -0.01350 -0.00180 0.00000 -0.00145 108 5PX -0.00074 -0.00626 -0.00110 -0.00000 0.00165 109 5PY -0.00195 0.00940 -0.00393 0.00000 0.00564 110 5PZ 0.00000 -0.00000 0.00000 0.00593 -0.00000 111 6D 0 -0.00012 0.00008 0.00008 0.00000 0.00031 112 6D+1 0.00000 -0.00000 0.00000 0.00016 -0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 -0.00019 0.00000 114 6D+2 0.00000 -0.00030 -0.00032 0.00000 -0.00005 115 6D-2 0.00009 -0.00025 -0.00014 0.00000 -0.00025 116 7D 0 0.00022 -0.00050 -0.00014 0.00000 -0.00020 117 7D+1 -0.00000 0.00000 0.00000 -0.00010 0.00000 118 7D-1 0.00000 -0.00000 -0.00000 -0.00082 -0.00000 119 7D+2 0.00033 -0.00109 -0.00135 0.00000 -0.00059 120 7D-2 0.00033 0.00041 -0.00061 0.00000 -0.00118 121 7 H 1S 0.00108 0.00189 0.00171 -0.00000 -0.00419 122 2S 0.00064 0.00986 0.00614 -0.00000 -0.00223 123 3S -0.00318 0.02797 0.00260 -0.00000 0.00811 124 4PX 0.00037 -0.00323 -0.00045 -0.00000 -0.00101 125 4PY 0.00090 -0.00505 -0.00061 0.00000 -0.00250 126 4PZ -0.00000 0.00000 0.00000 0.00158 0.00000 127 8 H 1S -0.00124 -0.00046 0.00451 0.01492 0.00418 128 2S 0.00016 -0.00098 0.00641 0.02733 0.00163 129 3S -0.00176 -0.00467 0.00860 0.02223 0.00358 130 4PX 0.00018 0.00072 0.00074 0.00015 -0.00024 131 4PY -0.00044 0.00188 0.00159 -0.00168 0.00113 132 4PZ -0.00008 -0.00009 0.00043 0.00113 0.00038 61 62 63 64 65 61 3PX 0.36049 62 3PY 0.03242 0.28871 63 3PZ -0.00000 -0.00000 0.25507 64 4S 0.06799 -0.16766 0.00000 0.58268 65 4PX 0.31261 0.05226 -0.00000 0.05478 0.27503 66 4PY 0.06306 0.19141 -0.00000 -0.11371 0.07061 67 4PZ -0.00000 -0.00000 0.21234 0.00000 -0.00000 68 5S 0.02305 -0.06886 0.00000 0.06118 0.01476 69 5PX 0.06351 0.02093 -0.00000 0.00067 0.05887 70 5PY 0.00700 0.01146 -0.00000 -0.00499 0.00794 71 5PZ -0.00000 -0.00000 0.01717 0.00000 -0.00000 72 6D 0 0.00178 -0.00472 -0.00000 0.00192 0.00110 73 6D+1 -0.00000 0.00000 -0.00190 -0.00000 -0.00000 74 6D-1 -0.00000 -0.00000 0.00521 0.00000 -0.00000 75 6D+2 -0.00077 -0.00744 0.00000 0.00128 -0.00121 76 6D-2 0.00576 -0.00363 -0.00000 0.00108 0.00441 77 7D 0 -0.00003 -0.00753 -0.00000 0.00215 -0.00076 78 7D+1 -0.00000 0.00000 -0.00663 -0.00000 -0.00000 79 7D-1 -0.00000 -0.00000 0.02334 0.00000 -0.00000 80 7D+2 -0.00759 -0.01307 0.00000 0.00048 -0.00724 81 7D-2 0.01829 -0.00104 -0.00000 0.00089 0.01512 82 4 H 1S 0.03573 -0.00479 0.00000 -0.00951 0.03888 83 2S 0.05986 -0.00819 0.00000 -0.01130 0.06396 84 3S 0.09519 0.01631 -0.00000 0.00273 0.08897 85 4PX -0.00064 -0.00214 -0.00000 -0.00272 0.00025 86 4PY 0.00297 -0.00348 0.00000 0.00142 0.00177 87 4PZ -0.00000 0.00000 0.00722 -0.00000 -0.00000 88 5 H 1S -0.00047 0.00646 -0.02179 -0.00278 0.00269 89 2S -0.00112 0.00912 -0.03998 -0.00756 0.00350 90 3S -0.00662 0.01212 -0.03262 -0.00421 -0.00306 91 4PX 0.00106 0.00106 -0.00021 -0.00054 0.00124 92 4PY 0.00271 0.00227 0.00246 0.00079 0.00275 93 4PZ 0.00010 -0.00062 0.00166 0.00050 -0.00029 94 6 O 1S 0.00282 0.00199 -0.00000 0.00308 0.00199 95 2S 0.00469 0.00323 -0.00000 0.00318 0.00367 96 2PX 0.00138 0.00800 -0.00000 0.00652 -0.00037 97 2PY 0.01995 0.00394 -0.00000 0.01750 0.01589 98 2PZ -0.00000 -0.00000 0.00298 -0.00000 -0.00000 99 3S -0.01597 -0.01031 0.00000 -0.00284 -0.01385 100 3PX 0.00306 0.01196 -0.00000 0.00960 0.00040 101 3PY 0.02832 0.00631 -0.00000 0.02499 0.02265 102 3PZ -0.00000 -0.00000 0.00418 -0.00000 -0.00000 103 4S -0.01797 -0.00904 0.00000 0.00084 -0.01741 104 4PX -0.00315 0.00789 -0.00000 0.00742 -0.00527 105 4PY 0.02485 0.00512 -0.00000 0.01962 0.01998 106 4PZ -0.00000 -0.00000 0.00596 -0.00000 -0.00000 107 5S -0.01974 -0.00262 0.00000 -0.00130 -0.01784 108 5PX -0.00907 -0.00152 -0.00000 0.00074 -0.00900 109 5PY 0.01344 -0.00534 0.00000 0.01037 0.00980 110 5PZ -0.00000 0.00000 0.00865 -0.00000 -0.00000 111 6D 0 0.00010 0.00012 0.00000 0.00040 0.00003 112 6D+1 0.00000 0.00000 0.00023 -0.00000 0.00000 113 6D-1 -0.00000 -0.00000 -0.00027 0.00000 -0.00000 114 6D+2 -0.00045 -0.00044 0.00000 0.00016 -0.00052 115 6D-2 -0.00036 -0.00022 0.00000 -0.00023 -0.00039 116 7D 0 -0.00076 -0.00021 0.00000 0.00013 -0.00074 117 7D+1 0.00000 0.00000 -0.00015 0.00000 0.00000 118 7D-1 -0.00000 -0.00000 -0.00120 -0.00000 -0.00000 119 7D+2 -0.00159 -0.00190 0.00000 -0.00009 -0.00174 120 7D-2 0.00063 -0.00091 0.00000 -0.00085 0.00025 121 7 H 1S 0.00335 0.00204 -0.00000 -0.00885 0.00491 122 2S 0.01499 0.00825 -0.00000 -0.00914 0.01684 123 3S 0.04055 0.00392 -0.00000 0.01070 0.03638 124 4PX -0.00468 -0.00067 -0.00000 -0.00114 -0.00421 125 4PY -0.00717 -0.00101 0.00000 -0.00403 -0.00608 126 4PZ 0.00000 0.00000 0.00231 0.00000 0.00000 127 8 H 1S -0.00047 0.00646 0.02179 -0.00278 0.00269 128 2S -0.00112 0.00912 0.03998 -0.00756 0.00350 129 3S -0.00662 0.01212 0.03262 -0.00421 -0.00306 130 4PX 0.00106 0.00106 0.00021 -0.00054 0.00124 131 4PY 0.00271 0.00227 -0.00246 0.00079 0.00275 132 4PZ -0.00010 0.00062 0.00166 -0.00050 0.00029 66 67 68 69 70 66 4PY 0.13269 67 4PZ -0.00000 0.17678 68 5S -0.04207 0.00000 0.02023 69 5PX 0.02203 -0.00000 0.00119 0.01627 70 5PY 0.00879 -0.00000 -0.00168 0.00342 0.00168 71 5PZ -0.00000 0.01446 0.00000 -0.00000 -0.00000 72 6D 0 -0.00281 -0.00000 0.00128 0.00006 -0.00014 73 6D+1 0.00000 -0.00158 -0.00000 -0.00000 0.00000 74 6D-1 -0.00000 0.00433 0.00000 -0.00000 -0.00000 75 6D+2 -0.00476 0.00000 0.00174 -0.00028 -0.00019 76 6D-2 -0.00168 -0.00000 0.00126 0.00051 -0.00015 77 7D 0 -0.00484 -0.00000 0.00177 -0.00050 -0.00030 78 7D+1 0.00000 -0.00550 -0.00000 -0.00000 0.00000 79 7D-1 -0.00000 0.01940 0.00000 -0.00000 -0.00000 80 7D+2 -0.00901 0.00000 0.00265 -0.00114 -0.00019 81 7D-2 0.00137 -0.00000 0.00156 0.00239 0.00009 82 4 H 1S 0.00338 -0.00000 0.00639 0.02088 0.00263 83 2S 0.00549 -0.00000 0.01053 0.03274 0.00478 84 3S 0.02397 -0.00000 0.00624 0.02725 0.00608 85 4PX -0.00127 -0.00000 0.00060 0.00154 -0.00013 86 4PY -0.00205 0.00000 0.00090 -0.00042 -0.00040 87 4PZ 0.00000 0.00599 -0.00000 0.00000 0.00000 88 5 H 1S 0.00396 -0.01895 -0.00475 0.00171 0.00119 89 2S 0.00577 -0.03453 -0.00627 0.00288 0.00215 90 3S 0.00776 -0.02789 -0.00337 0.00148 0.00199 91 4PX 0.00088 -0.00021 -0.00014 0.00060 0.00032 92 4PY 0.00204 0.00213 0.00007 0.00104 0.00038 93 4PZ -0.00031 0.00143 0.00069 -0.00012 -0.00008 94 6 O 1S 0.00261 -0.00000 -0.00107 0.00215 0.00084 95 2S 0.00366 -0.00000 -0.00189 0.00311 0.00128 96 2PX 0.00621 -0.00000 -0.00263 -0.00528 -0.00469 97 2PY 0.00444 -0.00000 -0.00107 0.00036 -0.00358 98 2PZ -0.00000 0.00340 0.00000 -0.00000 0.00000 99 3S -0.00943 0.00000 0.00624 -0.00813 -0.00357 100 3PX 0.00944 -0.00000 -0.00386 -0.00741 -0.00678 101 3PY 0.00673 -0.00000 -0.00174 0.00058 -0.00505 102 3PZ -0.00000 0.00481 0.00000 -0.00000 0.00000 103 4S -0.00857 0.00000 0.00373 -0.01109 -0.00650 104 4PX 0.00541 -0.00000 -0.00356 -0.00805 -0.00616 105 4PY 0.00568 -0.00000 -0.00062 0.00059 -0.00386 106 4PZ -0.00000 0.00627 0.00000 -0.00000 0.00000 107 5S -0.00336 0.00000 -0.00140 -0.00473 -0.00207 108 5PX -0.00253 -0.00000 -0.00080 -0.00378 -0.00140 109 5PY -0.00257 0.00000 0.00232 -0.00010 -0.00148 110 5PZ 0.00000 0.00771 -0.00000 -0.00000 0.00000 111 6D 0 0.00011 0.00000 -0.00007 -0.00009 -0.00011 112 6D+1 0.00000 0.00020 0.00000 0.00000 0.00000 113 6D-1 -0.00000 -0.00024 -0.00000 -0.00000 -0.00000 114 6D+2 -0.00043 0.00000 -0.00002 -0.00019 -0.00009 115 6D-2 -0.00021 0.00000 0.00004 -0.00013 -0.00002 116 7D 0 -0.00009 0.00000 -0.00007 -0.00022 -0.00018 117 7D+1 0.00000 -0.00013 -0.00000 0.00000 0.00000 118 7D-1 -0.00000 -0.00107 0.00000 0.00000 -0.00000 119 7D+2 -0.00174 0.00000 0.00019 -0.00055 -0.00015 120 7D-2 -0.00065 0.00000 0.00041 0.00005 0.00015 121 7 H 1S 0.00211 -0.00000 0.00195 0.00303 0.00296 122 2S 0.00797 -0.00000 0.00189 0.00784 0.00527 123 3S 0.00723 -0.00000 0.00288 0.00866 0.00197 124 4PX -0.00085 -0.00000 -0.00034 -0.00120 -0.00044 125 4PY -0.00150 0.00000 0.00006 -0.00112 0.00025 126 4PZ 0.00000 0.00202 -0.00000 -0.00000 -0.00000 127 8 H 1S 0.00396 0.01895 -0.00475 0.00171 0.00119 128 2S 0.00577 0.03453 -0.00627 0.00288 0.00215 129 3S 0.00776 0.02789 -0.00337 0.00148 0.00199 130 4PX 0.00088 0.00021 -0.00014 0.00060 0.00032 131 4PY 0.00204 -0.00213 0.00007 0.00104 0.00038 132 4PZ 0.00031 0.00143 -0.00069 0.00012 0.00008 71 72 73 74 75 71 5PZ 0.00284 72 6D 0 -0.00000 0.00010 73 6D+1 -0.00012 -0.00000 0.00001 74 6D-1 0.00030 0.00000 -0.00004 0.00011 75 6D+2 0.00000 0.00013 -0.00000 0.00000 0.00023 76 6D-2 -0.00000 0.00011 -0.00000 0.00000 0.00009 77 7D 0 -0.00000 0.00014 -0.00000 -0.00000 0.00021 78 7D+1 -0.00027 -0.00000 0.00005 -0.00014 -0.00000 79 7D-1 0.00137 -0.00000 -0.00017 0.00049 0.00000 80 7D+2 0.00000 0.00019 -0.00000 0.00000 0.00042 81 7D-2 -0.00000 0.00015 -0.00000 -0.00000 0.00002 82 4 H 1S -0.00000 0.00029 -0.00000 0.00000 0.00096 83 2S -0.00000 0.00050 -0.00000 0.00000 0.00151 84 3S -0.00000 0.00035 -0.00000 0.00000 0.00020 85 4PX -0.00000 0.00003 0.00000 0.00000 0.00015 86 4PY 0.00000 0.00008 -0.00000 0.00000 0.00006 87 4PZ 0.00031 -0.00000 -0.00005 0.00015 0.00000 88 5 H 1S -0.00815 -0.00007 0.00014 -0.00016 0.00001 89 2S -0.01310 -0.00009 0.00025 -0.00037 0.00006 90 3S -0.00970 -0.00024 0.00020 -0.00042 -0.00018 91 4PX -0.00024 -0.00001 0.00000 0.00001 -0.00000 92 4PY 0.00081 -0.00002 -0.00002 0.00002 -0.00004 93 4PZ 0.00052 0.00000 -0.00001 0.00002 -0.00000 94 6 O 1S -0.00000 -0.00004 -0.00000 -0.00000 -0.00007 95 2S -0.00000 -0.00005 -0.00000 -0.00000 -0.00011 96 2PX -0.00000 -0.00004 -0.00000 -0.00000 -0.00039 97 2PY 0.00000 0.00010 -0.00000 -0.00000 -0.00042 98 2PZ 0.01325 0.00000 0.00008 -0.00020 0.00000 99 3S 0.00000 0.00011 0.00000 0.00000 0.00038 100 3PX -0.00000 -0.00006 -0.00000 -0.00000 -0.00057 101 3PY 0.00000 0.00013 -0.00000 -0.00000 -0.00062 102 3PZ 0.01921 0.00000 0.00011 -0.00028 0.00000 103 4S 0.00000 0.00012 0.00000 0.00000 0.00014 104 4PX -0.00000 -0.00006 -0.00000 -0.00000 -0.00049 105 4PY 0.00000 0.00011 -0.00000 -0.00000 -0.00048 106 4PZ 0.01844 0.00000 0.00009 -0.00025 0.00000 107 5S 0.00000 -0.00004 0.00000 0.00000 0.00002 108 5PX -0.00000 -0.00003 0.00000 -0.00000 -0.00008 109 5PY 0.00000 0.00016 -0.00000 0.00000 -0.00003 110 5PZ 0.00650 -0.00000 -0.00003 0.00002 0.00000 111 6D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00001 112 6D+1 -0.00005 -0.00000 -0.00000 0.00000 0.00000 113 6D-1 -0.00016 0.00000 0.00000 -0.00000 -0.00000 114 6D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 115 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 116 7D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 117 7D+1 -0.00044 -0.00000 -0.00000 -0.00001 -0.00000 118 7D-1 -0.00088 0.00000 0.00000 -0.00000 0.00000 119 7D+2 0.00000 0.00001 -0.00000 0.00000 0.00002 120 7D-2 0.00000 0.00001 -0.00000 0.00000 0.00001 121 7 H 1S -0.00000 -0.00004 0.00000 0.00000 0.00023 122 2S -0.00000 -0.00008 0.00000 0.00000 0.00021 123 3S -0.00000 0.00017 -0.00000 0.00000 -0.00001 124 4PX -0.00000 -0.00001 0.00000 0.00000 0.00002 125 4PY -0.00000 -0.00003 0.00000 0.00000 0.00007 126 4PZ 0.00146 -0.00000 -0.00001 0.00002 0.00000 127 8 H 1S 0.00815 -0.00007 -0.00014 0.00016 0.00001 128 2S 0.01310 -0.00009 -0.00025 0.00037 0.00006 129 3S 0.00970 -0.00024 -0.00020 0.00042 -0.00018 130 4PX 0.00024 -0.00001 -0.00000 -0.00001 -0.00000 131 4PY -0.00081 -0.00002 0.00002 -0.00002 -0.00004 132 4PZ 0.00052 -0.00000 -0.00001 0.00002 0.00000 76 77 78 79 80 76 6D-2 0.00019 77 7D 0 0.00013 0.00023 78 7D+1 -0.00000 0.00000 0.00019 79 7D-1 -0.00000 -0.00000 -0.00063 0.00218 80 7D+2 0.00003 0.00035 -0.00000 0.00000 0.00096 81 7D-2 0.00041 0.00010 -0.00000 -0.00000 -0.00034 82 4 H 1S -0.00028 -0.00032 0.00000 0.00000 0.00201 83 2S -0.00033 -0.00042 0.00000 0.00000 0.00315 84 3S 0.00078 -0.00044 -0.00000 -0.00000 -0.00023 85 4PX -0.00009 -0.00003 0.00000 0.00000 0.00033 86 4PY 0.00016 0.00013 -0.00000 0.00000 -0.00004 87 4PZ -0.00000 -0.00000 -0.00021 0.00069 0.00000 88 5 H 1S -0.00024 -0.00005 -0.00017 -0.00060 0.00027 89 2S -0.00036 -0.00011 -0.00011 -0.00154 0.00055 90 3S -0.00044 -0.00034 0.00005 -0.00206 0.00015 91 4PX -0.00002 -0.00003 -0.00002 0.00003 0.00003 92 4PY -0.00003 -0.00005 0.00001 0.00008 -0.00005 93 4PZ 0.00002 -0.00000 0.00000 0.00006 -0.00003 94 6 O 1S 0.00009 -0.00004 0.00000 -0.00000 -0.00007 95 2S 0.00012 -0.00008 0.00000 -0.00000 -0.00007 96 2PX 0.00009 0.00035 -0.00000 -0.00000 -0.00181 97 2PY 0.00024 0.00065 -0.00000 -0.00000 -0.00169 98 2PZ -0.00000 0.00000 0.00125 0.00003 0.00000 99 3S -0.00027 0.00033 0.00000 0.00000 0.00012 100 3PX 0.00015 0.00050 -0.00000 -0.00000 -0.00265 101 3PY 0.00032 0.00091 -0.00000 -0.00000 -0.00244 102 3PZ -0.00000 0.00000 0.00182 0.00004 0.00000 103 4S -0.00020 0.00074 0.00000 -0.00000 -0.00077 104 4PX 0.00011 0.00048 -0.00000 -0.00000 -0.00220 105 4PY 0.00032 0.00064 -0.00000 -0.00000 -0.00198 106 4PZ -0.00000 0.00000 0.00169 0.00008 0.00000 107 5S -0.00029 0.00032 0.00000 0.00000 0.00009 108 5PX -0.00002 0.00009 -0.00000 -0.00000 -0.00027 109 5PY 0.00042 0.00019 -0.00000 -0.00000 -0.00061 110 5PZ -0.00000 -0.00000 0.00039 0.00033 0.00000 111 6D 0 0.00000 0.00001 0.00000 -0.00000 -0.00004 112 6D+1 -0.00000 -0.00000 -0.00001 0.00000 0.00000 113 6D-1 0.00000 0.00000 -0.00001 -0.00002 -0.00000 114 6D+2 0.00000 0.00002 0.00000 0.00000 -0.00000 115 6D-2 0.00001 -0.00001 -0.00000 0.00000 0.00000 116 7D 0 -0.00001 0.00004 0.00000 0.00000 -0.00001 117 7D+1 -0.00000 0.00000 -0.00004 -0.00010 0.00000 118 7D-1 0.00000 0.00000 -0.00005 -0.00005 0.00000 119 7D+2 0.00002 0.00003 -0.00000 0.00000 0.00005 120 7D-2 0.00006 -0.00005 -0.00000 0.00000 0.00003 121 7 H 1S -0.00002 -0.00056 -0.00000 0.00000 0.00075 122 2S -0.00002 -0.00087 -0.00000 0.00000 0.00091 123 3S 0.00057 -0.00025 -0.00000 -0.00000 -0.00052 124 4PX -0.00006 0.00006 0.00000 0.00000 0.00004 125 4PY -0.00010 -0.00009 0.00000 0.00000 0.00029 126 4PZ -0.00000 -0.00000 0.00007 0.00018 -0.00000 127 8 H 1S -0.00024 -0.00005 0.00017 0.00060 0.00027 128 2S -0.00036 -0.00011 0.00011 0.00154 0.00055 129 3S -0.00044 -0.00034 -0.00005 0.00206 0.00015 130 4PX -0.00002 -0.00003 0.00002 -0.00003 0.00003 131 4PY -0.00003 -0.00005 -0.00001 -0.00008 -0.00005 132 4PZ -0.00002 0.00000 0.00000 0.00006 0.00003 81 82 83 84 85 81 7D-2 0.00115 82 4 H 1S -0.00090 0.08215 83 2S -0.00101 0.12084 0.17915 84 3S 0.00329 0.04492 0.07034 0.05004 85 4PX -0.00037 0.01137 0.01638 0.00402 0.00180 86 4PY 0.00031 -0.00204 -0.00312 -0.00109 -0.00025 87 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.00007 -0.00261 -0.00180 0.00224 -0.00078 89 2S -0.00010 -0.00253 -0.00048 0.00489 -0.00101 90 3S -0.00064 -0.00133 -0.00084 0.00267 -0.00072 91 4PX 0.00001 0.00052 0.00115 0.00138 -0.00001 92 4PY -0.00001 0.00117 0.00183 0.00169 0.00002 93 4PZ -0.00001 0.00043 0.00032 -0.00014 0.00008 94 6 O 1S -0.00021 -0.00060 -0.00383 0.00098 -0.00086 95 2S -0.00014 -0.00099 -0.00510 0.00198 -0.00116 96 2PX -0.00052 -0.01090 -0.02216 -0.02227 -0.00079 97 2PY -0.00032 0.00053 0.00179 -0.00273 0.00088 98 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 99 3S -0.00044 0.00332 0.01166 -0.00753 0.00270 100 3PX -0.00072 -0.01588 -0.03249 -0.03230 -0.00122 101 3PY -0.00049 0.00079 0.00268 -0.00370 0.00125 102 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 4S -0.00117 -0.00184 0.00044 -0.01897 0.00243 104 4PX -0.00073 -0.01585 -0.03058 -0.02933 -0.00113 105 4PY -0.00005 0.00023 0.00124 -0.00304 0.00088 106 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 107 5S -0.00153 -0.00258 -0.00584 -0.01083 0.00020 108 5PX -0.00026 -0.00608 -0.00980 -0.00779 -0.00040 109 5PY 0.00085 -0.00111 -0.00251 -0.00175 0.00010 110 5PZ -0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 -0.00003 -0.00018 -0.00040 -0.00043 -0.00001 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 6D+2 -0.00002 -0.00015 -0.00011 -0.00010 0.00002 115 6D-2 0.00002 -0.00018 -0.00036 -0.00023 -0.00002 116 7D 0 -0.00011 -0.00017 -0.00060 -0.00091 -0.00001 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 119 7D+2 0.00002 -0.00014 0.00019 0.00008 0.00011 120 7D-2 0.00021 -0.00006 -0.00035 0.00038 -0.00004 121 7 H 1S 0.00101 0.00328 0.00550 0.00738 -0.00026 122 2S 0.00157 0.00737 0.01198 0.01606 -0.00049 123 3S 0.00223 0.00686 0.01075 0.01390 0.00001 124 4PX -0.00029 -0.00106 -0.00202 -0.00274 -0.00002 125 4PY -0.00014 -0.00055 -0.00078 -0.00107 -0.00003 126 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00007 -0.00261 -0.00180 0.00224 -0.00078 128 2S -0.00010 -0.00253 -0.00048 0.00489 -0.00101 129 3S -0.00064 -0.00133 -0.00084 0.00267 -0.00072 130 4PX 0.00001 0.00052 0.00115 0.00138 -0.00001 131 4PY -0.00001 0.00117 0.00183 0.00169 0.00002 132 4PZ 0.00001 -0.00043 -0.00032 0.00014 -0.00008 86 87 88 89 90 86 4PY 0.00022 87 4PZ 0.00000 0.00022 88 5 H 1S -0.00050 0.00027 0.08236 89 2S -0.00081 0.00024 0.11870 0.17280 90 3S -0.00066 -0.00013 0.04314 0.06620 0.04289 91 4PX -0.00008 0.00002 0.00227 0.00351 0.00142 92 4PY -0.00008 -0.00002 -0.00633 -0.00938 -0.00320 93 4PZ 0.00005 -0.00001 -0.00849 -0.01188 -0.00337 94 6 O 1S 0.00009 0.00000 0.00340 0.00278 0.00187 95 2S 0.00011 -0.00000 0.00552 0.00532 0.00301 96 2PX 0.00115 -0.00000 0.00551 0.00142 -0.00000 97 2PY 0.00123 -0.00000 -0.00789 -0.01476 -0.01075 98 2PZ -0.00000 -0.00086 -0.01612 -0.02809 -0.05650 99 3S -0.00021 0.00000 -0.01739 -0.01992 -0.00892 100 3PX 0.00168 -0.00000 0.00847 0.00255 0.00028 101 3PY 0.00173 -0.00000 -0.01111 -0.02083 -0.01533 102 3PZ -0.00000 -0.00125 -0.02305 -0.04026 -0.08193 103 4S 0.00072 -0.00000 -0.01766 -0.02450 -0.01207 104 4PX 0.00152 -0.00000 0.00585 0.00062 -0.00115 105 4PY 0.00133 -0.00000 -0.00974 -0.01733 -0.01145 106 4PZ -0.00000 -0.00118 -0.02583 -0.04413 -0.07854 107 5S 0.00027 -0.00000 -0.00166 -0.00459 -0.00145 108 5PX 0.00032 -0.00000 -0.00071 -0.00160 -0.00129 109 5PY 0.00062 -0.00000 -0.00573 -0.00844 -0.00367 110 5PZ -0.00000 -0.00030 -0.01756 -0.02809 -0.02709 111 6D 0 0.00004 -0.00000 -0.00008 -0.00028 -0.00013 112 6D+1 -0.00000 0.00000 -0.00049 -0.00071 0.00022 113 6D-1 0.00000 0.00000 0.00035 0.00058 0.00064 114 6D+2 0.00003 -0.00000 -0.00051 -0.00068 -0.00046 115 6D-2 0.00001 -0.00000 -0.00035 -0.00043 -0.00003 116 7D 0 0.00004 -0.00000 -0.00004 -0.00040 -0.00002 117 7D+1 -0.00000 -0.00000 -0.00218 -0.00308 0.00173 118 7D-1 0.00000 0.00004 0.00225 0.00362 0.00365 119 7D+2 0.00005 0.00000 -0.00163 -0.00187 -0.00114 120 7D-2 0.00000 -0.00000 -0.00169 -0.00188 -0.00005 121 7 H 1S -0.00095 0.00000 0.00604 0.01151 0.00764 122 2S -0.00145 0.00000 0.01150 0.01980 0.01198 123 3S -0.00010 0.00000 0.00670 0.00984 0.00326 124 4PX 0.00005 0.00000 0.00076 0.00058 0.00013 125 4PY -0.00019 0.00000 0.00008 0.00086 0.00107 126 4PZ 0.00000 -0.00003 -0.00206 -0.00354 -0.00590 127 8 H 1S -0.00050 -0.00027 -0.00749 -0.01952 -0.02372 128 2S -0.00081 -0.00024 -0.01952 -0.04032 -0.03929 129 3S -0.00066 0.00013 -0.02372 -0.03929 -0.03230 130 4PX -0.00008 -0.00002 -0.00079 -0.00117 -0.00069 131 4PY -0.00008 0.00002 0.00316 0.00519 0.00342 132 4PZ -0.00005 -0.00001 0.00258 0.00279 -0.00086 91 92 93 94 95 91 4PX 0.00020 92 4PY -0.00016 0.00080 93 4PZ -0.00022 0.00060 0.00104 94 6 O 1S -0.00034 0.00000 -0.00019 0.63878 95 2S -0.00040 -0.00008 -0.00038 0.56741 0.52064 96 2PX -0.00311 0.00140 -0.00028 -0.00995 -0.01539 97 2PY 0.00070 0.00090 0.00055 -0.00663 -0.01049 98 2PZ -0.00037 0.00080 0.00067 0.00000 0.00000 99 3S 0.00066 0.00065 0.00157 -0.12839 -0.21767 100 3PX -0.00460 0.00208 -0.00044 -0.01030 -0.01716 101 3PY 0.00106 0.00127 0.00075 -0.00832 -0.01378 102 3PZ -0.00053 0.00111 0.00095 0.00000 0.00000 103 4S -0.00043 0.00121 0.00173 -0.13418 -0.20531 104 4PX -0.00358 0.00141 -0.00034 -0.00622 -0.01348 105 4PY 0.00053 0.00106 0.00082 -0.01261 -0.02004 106 4PZ -0.00065 0.00152 0.00118 0.00000 0.00000 107 5S -0.00079 0.00062 0.00036 0.00579 0.00517 108 5PX -0.00034 -0.00021 0.00003 -0.00405 -0.00639 109 5PY -0.00037 0.00004 0.00074 -0.00219 -0.00311 110 5PZ -0.00054 0.00157 0.00103 0.00000 0.00000 111 6D 0 -0.00005 0.00004 0.00002 0.00028 0.00062 112 6D+1 -0.00002 0.00006 0.00004 -0.00000 -0.00000 113 6D-1 0.00001 -0.00003 -0.00002 0.00000 0.00000 114 6D+2 0.00009 -0.00005 0.00004 0.00035 0.00048 115 6D-2 -0.00003 -0.00002 0.00006 0.00032 0.00059 116 7D 0 -0.00014 0.00011 0.00005 0.00198 0.00282 117 7D+1 -0.00009 0.00030 0.00017 -0.00000 -0.00000 118 7D-1 0.00007 -0.00020 -0.00013 -0.00000 0.00000 119 7D+2 0.00026 -0.00022 0.00012 -0.00129 -0.00135 120 7D-2 -0.00007 -0.00010 0.00027 0.00252 0.00388 121 7 H 1S -0.00037 -0.00030 -0.00051 -0.01547 -0.02444 122 2S -0.00024 -0.00022 -0.00108 -0.00611 -0.00952 123 3S -0.00003 -0.00004 -0.00081 0.00140 0.00371 124 4PX -0.00022 0.00006 -0.00008 -0.00112 -0.00170 125 4PY -0.00008 -0.00014 0.00002 -0.00587 -0.00868 126 4PZ -0.00005 0.00013 0.00010 0.00000 0.00000 127 8 H 1S -0.00079 0.00316 -0.00258 0.00340 0.00552 128 2S -0.00117 0.00519 -0.00279 0.00278 0.00532 129 3S -0.00069 0.00342 0.00086 0.00187 0.00301 130 4PX 0.00010 0.00017 -0.00002 -0.00034 -0.00040 131 4PY 0.00017 -0.00021 -0.00003 0.00000 -0.00008 132 4PZ 0.00002 0.00003 -0.00064 0.00019 0.00038 96 97 98 99 100 96 2PX 0.12751 97 2PY 0.01582 0.13066 98 2PZ -0.00000 -0.00000 0.17879 99 3S 0.04512 0.03124 -0.00000 0.67171 100 3PX 0.18729 0.02158 -0.00000 0.05536 0.27531 101 3PY 0.02112 0.18753 -0.00000 0.04314 0.02866 102 3PZ -0.00000 -0.00000 0.26008 -0.00000 -0.00000 103 4S 0.08575 0.07831 -0.00000 0.56519 0.11646 104 4PX 0.14613 0.02684 -0.00000 0.05347 0.21450 105 4PY 0.02347 0.13055 -0.00000 0.05891 0.03242 106 4PZ -0.00000 -0.00000 0.23989 -0.00000 -0.00000 107 5S 0.03555 0.02687 -0.00000 -0.00021 0.05219 108 5PX 0.01072 0.00541 -0.00000 0.01834 0.01541 109 5PY 0.00711 0.01046 -0.00000 0.00786 0.01025 110 5PZ -0.00000 -0.00000 0.06035 -0.00000 -0.00000 111 6D 0 0.00212 0.00184 -0.00000 -0.00229 0.00314 112 6D+1 -0.00000 -0.00000 -0.00209 0.00000 -0.00000 113 6D-1 -0.00000 0.00000 -0.00156 -0.00000 -0.00000 114 6D+2 -0.00312 0.00381 -0.00000 -0.00113 -0.00462 115 6D-2 -0.00027 -0.00178 0.00000 -0.00198 -0.00036 116 7D 0 0.00509 0.00208 0.00000 -0.00683 0.00761 117 7D+1 0.00000 0.00000 -0.01180 0.00000 0.00000 118 7D-1 0.00000 0.00000 -0.00839 -0.00000 -0.00000 119 7D+2 -0.01120 0.00507 0.00000 0.00132 -0.01663 120 7D-2 -0.00525 -0.00990 0.00000 -0.01084 -0.00748 121 7 H 1S -0.00057 -0.09235 0.00000 0.06889 -0.00101 122 2S -0.00897 -0.12176 0.00000 0.02545 -0.01234 123 3S -0.00145 -0.03372 0.00000 -0.01633 -0.00143 124 4PX 0.00956 0.00176 -0.00000 0.00481 0.01400 125 4PY -0.00106 -0.01710 0.00000 0.02264 -0.00179 126 4PZ -0.00000 0.00000 0.01721 -0.00000 -0.00000 127 8 H 1S 0.00551 -0.00789 0.01612 -0.01739 0.00847 128 2S 0.00142 -0.01476 0.02809 -0.01992 0.00255 129 3S -0.00000 -0.01075 0.05650 -0.00892 0.00028 130 4PX -0.00311 0.00070 0.00037 0.00066 -0.00460 131 4PY 0.00140 0.00090 -0.00080 0.00065 0.00208 132 4PZ 0.00028 -0.00055 0.00067 -0.00157 0.00044 101 102 103 104 105 101 3PY 0.26920 102 3PZ -0.00000 0.37833 103 4S 0.11044 -0.00000 0.51291 104 4PX 0.03672 -0.00000 0.10295 0.16847 105 4PY 0.18722 -0.00000 0.10299 0.03546 0.13206 106 4PZ -0.00000 0.34892 -0.00000 -0.00000 -0.00000 107 5S 0.03819 -0.00000 0.02261 0.04249 0.02776 108 5PX 0.00762 -0.00000 0.02092 0.01312 0.00651 109 5PY 0.01487 -0.00000 0.01282 0.00902 0.01145 110 5PZ -0.00000 0.08768 -0.00000 -0.00000 -0.00000 111 6D 0 0.00262 -0.00000 -0.00041 0.00253 0.00183 112 6D+1 -0.00000 -0.00305 0.00000 0.00000 -0.00000 113 6D-1 0.00000 -0.00226 -0.00000 0.00000 0.00000 114 6D+2 0.00551 -0.00000 -0.00052 -0.00322 0.00355 115 6D-2 -0.00255 0.00000 -0.00227 -0.00041 -0.00181 116 7D 0 0.00294 0.00000 -0.00292 0.00591 0.00201 117 7D+1 0.00000 -0.01720 0.00000 0.00000 0.00000 118 7D-1 0.00000 -0.01218 -0.00000 0.00000 0.00000 119 7D+2 0.00741 0.00000 -0.00066 -0.01221 0.00452 120 7D-2 -0.01417 0.00000 -0.01397 -0.00656 -0.01026 121 7 H 1S -0.13284 0.00000 0.02024 -0.00747 -0.08803 122 2S -0.17491 0.00000 -0.02930 -0.01964 -0.11899 123 3S -0.04842 0.00000 -0.02787 -0.00482 -0.03332 124 4PX 0.00242 -0.00000 0.00794 0.01105 0.00227 125 4PY -0.02461 0.00000 0.01175 -0.00229 -0.01604 126 4PZ 0.00000 0.02503 -0.00000 -0.00000 0.00000 127 8 H 1S -0.01111 0.02305 -0.01766 0.00585 -0.00974 128 2S -0.02083 0.04026 -0.02450 0.00062 -0.01733 129 3S -0.01533 0.08193 -0.01207 -0.00115 -0.01145 130 4PX 0.00106 0.00053 -0.00043 -0.00358 0.00053 131 4PY 0.00127 -0.00111 0.00121 0.00141 0.00106 132 4PZ -0.00075 0.00095 -0.00173 0.00034 -0.00082 106 107 108 109 110 106 4PZ 0.32228 107 5S -0.00000 0.01654 108 5PX -0.00000 0.00357 0.00221 109 5PY -0.00000 0.00263 0.00144 0.00334 110 5PZ 0.08214 -0.00000 -0.00000 -0.00000 0.02376 111 6D 0 -0.00000 0.00098 0.00016 0.00023 0.00000 112 6D+1 -0.00274 -0.00000 0.00000 -0.00000 -0.00052 113 6D-1 -0.00211 0.00000 0.00000 0.00000 -0.00059 114 6D+2 -0.00000 -0.00007 -0.00005 0.00020 0.00000 115 6D-2 0.00000 -0.00033 -0.00006 -0.00003 0.00000 116 7D 0 0.00000 0.00210 0.00025 0.00027 0.00000 117 7D+1 -0.01552 0.00000 0.00000 0.00000 -0.00309 118 7D-1 -0.01140 -0.00000 0.00000 0.00000 -0.00325 119 7D+2 0.00000 -0.00209 -0.00033 0.00022 0.00000 120 7D-2 0.00000 -0.00299 -0.00072 -0.00038 0.00000 121 7 H 1S 0.00000 -0.02000 -0.00200 -0.00649 0.00000 122 2S 0.00000 -0.02723 -0.00537 -0.00996 0.00000 123 3S 0.00000 -0.00938 -0.00275 -0.00170 0.00000 124 4PX -0.00000 0.00308 0.00093 0.00032 -0.00000 125 4PY 0.00000 -0.00374 0.00008 -0.00122 0.00000 126 4PZ 0.02314 0.00000 -0.00000 0.00000 0.00596 127 8 H 1S 0.02583 -0.00166 -0.00071 -0.00573 0.01756 128 2S 0.04413 -0.00459 -0.00160 -0.00844 0.02809 129 3S 0.07854 -0.00145 -0.00129 -0.00367 0.02709 130 4PX 0.00065 -0.00079 -0.00034 -0.00037 0.00054 131 4PY -0.00152 0.00062 -0.00021 0.00004 -0.00157 132 4PZ 0.00118 -0.00036 -0.00003 -0.00074 0.00103 111 112 113 114 115 111 6D 0 0.00007 112 6D+1 -0.00000 0.00004 113 6D-1 0.00000 0.00001 0.00001 114 6D+2 0.00000 0.00000 0.00000 0.00023 115 6D-2 -0.00002 -0.00000 -0.00000 -0.00004 0.00004 116 7D 0 0.00015 -0.00000 -0.00000 -0.00007 -0.00001 117 7D+1 -0.00000 0.00019 0.00009 0.00000 -0.00000 118 7D-1 -0.00000 0.00007 0.00008 0.00000 -0.00000 119 7D+2 -0.00013 -0.00000 0.00000 0.00052 -0.00004 120 7D-2 -0.00016 -0.00000 -0.00000 -0.00014 0.00020 121 7 H 1S -0.00161 0.00000 -0.00000 -0.00322 0.00098 122 2S -0.00194 0.00000 -0.00000 -0.00402 0.00138 123 3S -0.00044 0.00000 -0.00000 -0.00121 0.00040 124 4PX 0.00016 -0.00000 -0.00000 -0.00021 -0.00004 125 4PY -0.00036 0.00000 -0.00000 -0.00054 0.00018 126 4PZ 0.00000 -0.00019 -0.00015 0.00000 0.00000 127 8 H 1S -0.00008 0.00049 -0.00035 -0.00051 -0.00035 128 2S -0.00028 0.00071 -0.00058 -0.00068 -0.00043 129 3S -0.00013 -0.00022 -0.00064 -0.00046 -0.00003 130 4PX -0.00005 0.00002 -0.00001 0.00009 -0.00003 131 4PY 0.00004 -0.00006 0.00003 -0.00005 -0.00002 132 4PZ -0.00002 0.00004 -0.00002 -0.00004 -0.00006 116 117 118 119 120 116 7D 0 0.00037 117 7D+1 -0.00000 0.00103 118 7D-1 -0.00000 0.00044 0.00045 119 7D+2 -0.00045 -0.00000 0.00000 0.00148 120 7D-2 -0.00022 -0.00000 -0.00000 0.00006 0.00118 121 7 H 1S -0.00234 -0.00000 -0.00000 -0.00435 0.00556 122 2S -0.00254 -0.00000 -0.00000 -0.00567 0.00803 123 3S -0.00053 -0.00000 -0.00000 -0.00200 0.00253 124 4PX 0.00039 0.00000 -0.00000 -0.00079 -0.00052 125 4PY -0.00059 -0.00000 -0.00000 -0.00054 0.00099 126 4PZ 0.00000 -0.00111 -0.00083 0.00000 0.00000 127 8 H 1S -0.00004 0.00218 -0.00225 -0.00163 -0.00169 128 2S -0.00040 0.00308 -0.00362 -0.00187 -0.00188 129 3S -0.00002 -0.00173 -0.00365 -0.00114 -0.00005 130 4PX -0.00014 0.00009 -0.00007 0.00026 -0.00007 131 4PY 0.00011 -0.00030 0.00020 -0.00022 -0.00010 132 4PZ -0.00005 0.00017 -0.00013 -0.00012 -0.00027 121 122 123 124 125 121 7 H 1S 0.07946 122 2S 0.09657 0.12392 123 3S 0.02579 0.03616 0.01544 124 4PX -0.00053 -0.00151 -0.00086 0.00080 125 4PY 0.01548 0.01765 0.00354 -0.00006 0.00337 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00604 0.01150 0.00670 0.00076 0.00008 128 2S 0.01151 0.01980 0.00984 0.00058 0.00086 129 3S 0.00764 0.01198 0.00326 0.00013 0.00107 130 4PX -0.00037 -0.00024 -0.00003 -0.00022 -0.00008 131 4PY -0.00030 -0.00022 -0.00004 0.00006 -0.00014 132 4PZ 0.00051 0.00108 0.00081 0.00008 -0.00002 126 127 128 129 130 126 4PZ 0.00167 127 8 H 1S 0.00206 0.08236 128 2S 0.00354 0.11870 0.17280 129 3S 0.00590 0.04314 0.06620 0.04289 130 4PX 0.00005 0.00227 0.00351 0.00142 0.00020 131 4PY -0.00013 -0.00633 -0.00938 -0.00320 -0.00016 132 4PZ 0.00010 0.00849 0.01188 0.00337 0.00022 131 132 131 4PY 0.00080 132 4PZ -0.00060 0.00104 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65796 2 2S 0.49082 0.48692 3 2PX 0.00000 0.00000 0.06885 4 2PY 0.00000 0.00000 0.00000 0.08713 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.08912 6 3S -0.02561 -0.05775 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.06314 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07920 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.07799 10 4S -0.00897 -0.01568 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01099 -0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01766 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01566 14 5S -0.00115 -0.00166 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00010 0.00000 0.00000 16 5PY 0.00000 0.00000 0.00000 0.00039 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00047 18 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 19 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 22 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00001 -0.00001 -0.00000 29 2S 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 30 2PX -0.00001 -0.00000 0.00015 0.00038 0.00000 31 2PY -0.00001 -0.00000 0.00034 0.00050 0.00000 32 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00002 33 3S -0.00015 -0.00025 0.00178 0.00357 0.00000 34 3PX -0.00040 -0.00070 0.00127 0.00493 0.00000 35 3PY -0.00051 -0.00088 0.00413 0.00522 0.00000 36 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00065 37 4S -0.00026 -0.00070 0.00136 0.00332 0.00000 38 4PX -0.00067 -0.00131 -0.00020 0.00213 0.00000 39 4PY -0.00050 -0.00083 0.00139 0.00095 0.00000 40 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00091 41 5S 0.00050 0.00074 -0.00004 -0.00005 -0.00000 42 5PX 0.00001 0.00001 -0.00003 0.00003 -0.00000 43 5PY 0.00017 0.00028 0.00002 0.00004 0.00000 44 5PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 45 6D 0 -0.00000 -0.00000 0.00001 0.00002 0.00000 46 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00001 47 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00003 48 6D+2 -0.00000 -0.00000 0.00005 -0.00000 0.00000 49 6D-2 -0.00001 -0.00001 0.00011 0.00025 0.00000 50 7D 0 -0.00003 -0.00009 0.00006 0.00001 0.00000 51 7D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00015 52 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00124 53 7D+2 -0.00016 -0.00025 0.00087 0.00003 0.00000 54 7D-2 -0.00081 -0.00123 0.00021 0.00153 -0.00000 55 3 O 1S -0.00000 0.00000 0.00000 0.00000 0.00000 56 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 57 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 58 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 59 2PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 60 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 61 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 62 3PY 0.00000 0.00000 -0.00000 -0.00001 -0.00000 63 3PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 64 4S 0.00000 0.00001 0.00000 -0.00003 -0.00000 65 4PX 0.00001 0.00002 0.00005 -0.00024 -0.00000 66 4PY 0.00005 0.00010 -0.00012 -0.00078 -0.00000 67 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00008 68 5S 0.00003 0.00007 -0.00001 0.00014 0.00000 69 5PX 0.00006 0.00010 0.00022 -0.00025 0.00000 70 5PY 0.00007 0.00016 -0.00010 -0.00036 -0.00000 71 5PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00022 72 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 73 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 75 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 76 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 78 7D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 79 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 80 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 81 7D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 82 4 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 83 2S 0.00001 0.00002 -0.00022 -0.00010 -0.00000 84 3S 0.00016 0.00028 -0.00090 -0.00041 -0.00000 85 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 86 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.00021 -0.00029 0.00027 0.00240 0.00503 89 2S -0.00220 -0.00379 0.00046 0.00551 0.01310 90 3S 0.00018 0.00013 -0.00002 0.00068 0.00207 91 4PX -0.00002 -0.00003 0.00019 0.00007 0.00015 92 4PY -0.00018 -0.00028 0.00007 -0.00004 0.00116 93 4PZ -0.00035 -0.00054 0.00011 0.00099 0.00066 94 6 O 1S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 95 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 2PX -0.00000 -0.00000 0.00056 0.00005 0.00000 97 2PY -0.00000 -0.00000 0.00005 -0.00000 -0.00000 98 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 99 3S -0.00001 -0.00002 0.00163 0.00016 0.00000 100 3PX -0.00033 -0.00048 0.01046 0.00099 0.00000 101 3PY -0.00002 -0.00003 0.00091 -0.00003 -0.00000 102 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00008 103 4S -0.00001 0.00008 0.00167 0.00033 0.00000 104 4PX -0.00204 -0.00377 0.01226 0.00130 0.00000 105 4PY -0.00007 -0.00012 0.00112 -0.00026 -0.00000 106 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00017 107 5S 0.00082 0.00113 -0.00080 -0.00006 -0.00000 108 5PX 0.00030 0.00037 0.00002 -0.00009 -0.00000 109 5PY -0.00000 0.00002 -0.00008 -0.00067 -0.00000 110 5PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00113 111 6D 0 -0.00000 -0.00000 0.00001 0.00000 0.00000 112 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 114 6D+2 -0.00000 -0.00000 0.00003 0.00001 0.00000 115 6D-2 -0.00000 -0.00000 0.00001 0.00000 -0.00000 116 7D 0 -0.00006 -0.00009 0.00034 0.00003 0.00000 117 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00043 118 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00005 119 7D+2 -0.00017 -0.00028 0.00102 0.00046 0.00000 120 7D-2 -0.00003 -0.00004 0.00004 0.00020 0.00000 121 7 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 122 2S 0.00003 0.00005 -0.00022 -0.00033 -0.00000 123 3S -0.00009 -0.00008 -0.00022 -0.00032 -0.00000 124 4PX -0.00000 -0.00000 0.00003 0.00001 0.00000 125 4PY 0.00000 0.00000 -0.00001 0.00001 0.00000 126 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 127 8 H 1S -0.00021 -0.00029 0.00027 0.00240 0.00503 128 2S -0.00220 -0.00379 0.00046 0.00551 0.01310 129 3S 0.00018 0.00013 -0.00002 0.00068 0.00207 130 4PX -0.00002 -0.00003 0.00019 0.00007 0.00015 131 4PY -0.00018 -0.00028 0.00007 -0.00004 0.00116 132 4PZ -0.00035 -0.00054 0.00011 0.00099 0.00066 6 7 8 9 10 6 3S 0.42418 7 3PX 0.00000 0.14659 8 3PY 0.00000 0.00000 0.18233 9 3PZ 0.00000 0.00000 0.00000 0.17259 10 4S 0.15864 0.00000 0.00000 0.00000 0.13389 11 4PX 0.00000 0.04771 -0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.07598 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.06461 0.00000 14 5S 0.01524 0.00000 0.00000 0.00000 0.01014 15 5PX 0.00000 0.00037 0.00000 0.00000 0.00000 16 5PY 0.00000 0.00000 0.00227 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00258 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 -0.00015 -0.00038 -0.00074 -0.00000 -0.00032 29 2S -0.00026 -0.00068 -0.00131 -0.00000 -0.00053 30 2PX 0.00188 0.00137 0.00493 0.00000 0.00195 31 2PY 0.00236 0.00419 0.00525 0.00000 0.00085 32 2PZ 0.00000 0.00000 0.00000 0.00063 0.00000 33 3S 0.00783 0.01223 0.02369 0.00000 0.00587 34 3PX 0.01245 0.00328 0.02159 0.00000 0.00954 35 3PY 0.01493 0.01770 0.01790 0.00000 0.00463 36 3PZ 0.00000 0.00000 0.00000 0.00433 0.00000 37 4S 0.01290 0.00738 0.01715 0.00000 -0.00185 38 4PX 0.01549 -0.00178 0.00940 -0.00000 0.01041 39 4PY 0.00768 0.00621 0.00175 0.00000 0.00081 40 4PZ 0.00000 -0.00000 0.00000 0.00483 0.00000 41 5S -0.00737 -0.00008 -0.00041 -0.00000 -0.00550 42 5PX 0.00010 -0.00021 0.00013 -0.00000 0.00119 43 5PY -0.00327 0.00014 0.00033 0.00000 -0.00388 44 5PZ -0.00000 -0.00000 0.00000 -0.00003 -0.00000 45 6D 0 0.00009 0.00003 0.00007 0.00000 0.00003 46 6D+1 0.00000 0.00000 0.00000 0.00009 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00027 0.00000 48 6D+2 0.00007 0.00033 0.00000 0.00000 0.00005 49 6D-2 0.00071 0.00035 0.00106 0.00000 0.00019 50 7D 0 0.00093 0.00011 0.00004 0.00000 0.00034 51 7D+1 0.00000 0.00000 0.00000 0.00060 0.00000 52 7D-1 0.00000 -0.00000 0.00000 0.00452 0.00000 53 7D+2 0.00151 0.00290 0.00003 0.00000 0.00067 54 7D-2 0.00693 0.00020 0.00341 -0.00000 0.00197 55 3 O 1S 0.00000 -0.00000 0.00000 0.00000 -0.00007 56 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 57 2PX -0.00000 0.00000 -0.00001 -0.00000 -0.00008 58 2PY -0.00001 -0.00000 -0.00003 -0.00000 -0.00011 59 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 60 3S -0.00002 -0.00000 -0.00013 -0.00000 0.00147 61 3PX -0.00004 0.00001 -0.00013 -0.00000 -0.00059 62 3PY -0.00015 -0.00008 -0.00063 -0.00000 -0.00073 63 3PZ -0.00000 0.00000 -0.00000 -0.00004 -0.00000 64 4S -0.00048 0.00005 -0.00032 -0.00000 0.00255 65 4PX -0.00083 0.00049 -0.00184 -0.00000 -0.00244 66 4PY -0.00316 -0.00076 -0.00545 -0.00000 -0.00465 67 4PZ -0.00000 0.00000 -0.00000 -0.00066 -0.00000 68 5S -0.00149 -0.00005 0.00071 0.00000 -0.00292 69 5PX -0.00136 0.00130 -0.00135 0.00000 -0.00200 70 5PY -0.00256 -0.00056 -0.00184 -0.00000 -0.00250 71 5PZ -0.00000 -0.00000 -0.00000 -0.00123 -0.00000 72 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 75 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 77 7D 0 -0.00001 -0.00000 -0.00001 0.00000 -0.00001 78 7D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 79 7D-1 -0.00000 0.00000 0.00000 0.00001 0.00000 80 7D+2 0.00001 0.00002 0.00007 0.00000 0.00002 81 7D-2 0.00001 -0.00000 0.00003 0.00000 -0.00002 82 4 H 1S -0.00005 -0.00012 -0.00006 -0.00000 -0.00158 83 2S -0.00126 -0.00238 -0.00116 -0.00000 -0.00775 84 3S -0.00452 -0.00529 -0.00250 -0.00000 -0.01090 85 4PX -0.00001 -0.00001 0.00002 0.00000 -0.00024 86 4PY 0.00001 0.00005 0.00001 0.00000 0.00003 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S 0.01453 0.00132 0.01243 0.02592 0.01351 89 2S 0.04440 0.00160 0.02148 0.05087 0.03821 90 3S 0.00114 -0.00012 0.00336 0.00979 0.00492 91 4PX 0.00020 0.00093 0.00019 0.00035 0.00001 92 4PY 0.00215 0.00016 0.00010 0.00277 0.00066 93 4PZ 0.00419 0.00025 0.00234 0.00095 0.00144 94 6 O 1S -0.00004 -0.00038 -0.00003 -0.00000 0.00125 95 2S -0.00006 -0.00065 -0.00005 -0.00000 0.00179 96 2PX 0.00284 0.00930 0.00094 0.00000 0.00064 97 2PY 0.00016 0.00077 -0.00000 -0.00000 -0.00011 98 2PZ 0.00000 0.00000 -0.00000 0.00015 -0.00000 99 3S 0.00094 0.01291 0.00114 0.00000 -0.02416 100 3PX 0.02061 0.04722 0.00522 0.00000 0.00364 101 3PY 0.00122 0.00419 -0.00003 -0.00000 -0.00061 102 3PZ 0.00000 0.00000 -0.00000 0.00114 -0.00000 103 4S -0.00440 0.00534 0.00108 0.00000 -0.04497 104 4PX 0.04033 0.03893 0.00513 0.00000 0.00682 105 4PY 0.00127 0.00369 -0.00050 -0.00000 -0.00215 106 4PZ 0.00000 0.00000 -0.00000 0.00046 -0.00000 107 5S -0.00946 -0.00447 -0.00039 -0.00000 -0.00400 108 5PX -0.00159 -0.00016 -0.00042 -0.00000 -0.00132 109 5PY -0.00054 -0.00045 -0.00353 -0.00000 -0.00076 110 5PZ -0.00000 -0.00000 -0.00000 -0.00552 -0.00000 111 6D 0 0.00003 0.00006 0.00000 0.00000 0.00000 112 6D+1 -0.00000 -0.00000 0.00000 0.00005 -0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 114 6D+2 0.00010 0.00016 0.00006 0.00000 0.00001 115 6D-2 0.00001 0.00003 0.00003 0.00000 -0.00000 116 7D 0 0.00071 0.00059 0.00006 0.00000 0.00002 117 7D+1 -0.00000 0.00000 0.00000 0.00174 0.00000 118 7D-1 -0.00000 -0.00000 0.00000 0.00018 -0.00000 119 7D+2 0.00234 0.00160 0.00134 0.00000 0.00017 120 7D-2 0.00017 0.00006 0.00114 0.00000 -0.00003 121 7 H 1S -0.00014 -0.00029 -0.00018 -0.00000 -0.00077 122 2S -0.00175 -0.00157 -0.00230 -0.00000 -0.00107 123 3S -0.00056 -0.00119 -0.00167 -0.00000 0.00104 124 4PX 0.00017 0.00044 0.00022 0.00000 0.00005 125 4PY -0.00004 -0.00009 0.00012 0.00000 -0.00019 126 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 127 8 H 1S 0.01453 0.00132 0.01243 0.02592 0.01351 128 2S 0.04440 0.00160 0.02148 0.05087 0.03821 129 3S 0.00114 -0.00012 0.00336 0.00979 0.00492 130 4PX 0.00020 0.00093 0.00019 0.00035 0.00001 131 4PY 0.00215 0.00016 0.00010 0.00277 0.00066 132 4PZ 0.00419 0.00025 0.00234 0.00095 0.00144 11 12 13 14 15 11 4PX 0.03900 12 4PY -0.00000 0.07829 13 4PZ 0.00000 0.00000 0.05680 14 5S 0.00000 0.00000 0.00000 0.05413 15 5PX -0.00024 0.00000 0.00000 0.00000 0.00435 16 5PY 0.00000 0.00388 0.00000 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00403 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 -0.00037 -0.00126 -0.00000 0.00062 0.00016 29 2S -0.00071 -0.00225 -0.00000 0.00089 0.00023 30 2PX -0.00027 0.00277 0.00000 -0.00033 0.00010 31 2PY 0.00168 0.00084 0.00000 0.00036 0.00004 32 2PZ 0.00000 0.00000 0.00087 0.00000 -0.00000 33 3S 0.00800 0.02411 0.00000 -0.00928 -0.00225 34 3PX -0.00230 0.01213 -0.00000 -0.00181 0.00062 35 3PY 0.00724 0.00159 0.00000 0.00173 0.00019 36 3PZ -0.00000 0.00000 0.00477 0.00000 -0.00000 37 4S 0.00594 0.01750 0.00000 0.00044 -0.00218 38 4PX -0.00434 0.00808 -0.00000 -0.00154 0.00085 39 4PY 0.00401 -0.00493 -0.00000 0.00065 0.00002 40 4PZ -0.00000 -0.00000 0.00611 0.00000 -0.00000 41 5S 0.00012 -0.00070 -0.00000 -0.04468 -0.00399 42 5PX -0.00049 0.00035 -0.00000 -0.00294 0.00115 43 5PY 0.00027 0.00142 0.00000 -0.00572 -0.00071 44 5PZ -0.00000 0.00000 0.00017 -0.00000 0.00000 45 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00005 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00013 -0.00000 -0.00000 48 6D+2 0.00013 -0.00006 0.00000 -0.00000 -0.00000 49 6D-2 -0.00003 0.00008 -0.00000 0.00001 -0.00001 50 7D 0 -0.00002 -0.00001 0.00000 0.00002 -0.00001 51 7D+1 0.00000 0.00000 0.00031 0.00000 0.00000 52 7D-1 -0.00000 0.00000 0.00251 0.00000 0.00000 53 7D+2 0.00155 -0.00058 -0.00000 0.00003 0.00011 54 7D-2 -0.00031 -0.00001 -0.00000 0.00015 -0.00010 55 3 O 1S 0.00000 -0.00009 -0.00000 0.00037 0.00001 56 2S -0.00000 -0.00010 -0.00000 0.00050 0.00001 57 2PX 0.00004 -0.00023 -0.00000 -0.00003 0.00006 58 2PY -0.00007 -0.00063 -0.00000 -0.00032 -0.00004 59 2PZ 0.00000 -0.00000 -0.00006 -0.00000 0.00000 60 3S 0.00009 0.00074 0.00000 -0.00608 -0.00000 61 3PX 0.00030 -0.00150 -0.00000 -0.00018 0.00043 62 3PY -0.00041 -0.00388 -0.00000 -0.00212 -0.00026 63 3PZ 0.00000 -0.00000 -0.00044 -0.00000 0.00000 64 4S 0.00035 0.00373 0.00000 -0.00903 0.00032 65 4PX 0.00168 -0.00532 0.00000 -0.00074 0.00166 66 4PY -0.00120 -0.01060 -0.00000 -0.00575 -0.00069 67 4PZ -0.00000 -0.00000 -0.00174 -0.00000 0.00000 68 5S -0.00009 0.00165 0.00000 0.00475 0.00040 69 5PX 0.00253 -0.00264 0.00000 -0.00023 0.00079 70 5PY -0.00069 -0.00227 -0.00000 0.00013 0.00001 71 5PZ -0.00000 -0.00000 -0.00230 0.00000 -0.00000 72 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 75 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 76 6D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 77 7D 0 -0.00001 -0.00002 0.00000 -0.00001 0.00000 78 7D+1 -0.00000 0.00000 -0.00001 0.00000 -0.00000 79 7D-1 0.00000 0.00000 0.00002 -0.00000 -0.00000 80 7D+2 0.00003 0.00003 0.00000 -0.00005 -0.00001 81 7D-2 -0.00000 -0.00002 0.00000 0.00000 0.00000 82 4 H 1S -0.00167 -0.00110 -0.00000 0.00103 -0.00008 83 2S -0.00748 -0.00489 -0.00000 0.00431 -0.00025 84 3S -0.00897 -0.00614 -0.00000 0.00214 -0.00049 85 4PX -0.00011 -0.00002 -0.00000 0.00008 -0.00000 86 4PY 0.00011 -0.00002 -0.00000 -0.00001 -0.00000 87 4PZ 0.00000 -0.00000 0.00003 -0.00000 -0.00000 88 5 H 1S 0.00105 0.00797 0.01485 0.00209 0.00008 89 2S 0.00190 0.01808 0.03819 0.00839 0.00030 90 3S -0.00004 0.00427 0.01259 0.00334 0.00015 91 4PX 0.00048 0.00006 0.00009 0.00000 -0.00000 92 4PY 0.00004 0.00022 0.00069 0.00005 0.00000 93 4PZ 0.00009 0.00067 -0.00029 0.00007 0.00000 94 6 O 1S 0.00021 0.00015 0.00000 -0.00055 -0.00016 95 2S 0.00019 0.00020 0.00000 -0.00072 -0.00025 96 2PX 0.00185 0.00040 0.00000 0.00020 0.00008 97 2PY 0.00012 0.00009 0.00000 -0.00018 0.00006 98 2PZ 0.00000 0.00000 -0.00004 -0.00000 0.00000 99 3S 0.00009 -0.00196 -0.00000 0.00800 0.00382 100 3PX 0.00877 0.00219 0.00000 0.00132 0.00051 101 3PY 0.00071 0.00052 0.00000 -0.00116 0.00035 102 3PZ 0.00000 0.00000 -0.00014 -0.00000 0.00000 103 4S -0.01092 -0.00276 -0.00000 0.00110 0.01032 104 4PX 0.00649 0.00309 0.00000 0.00459 0.00193 105 4PY 0.00058 0.00117 0.00000 -0.00302 0.00089 106 4PZ -0.00000 0.00000 -0.00284 -0.00000 0.00000 107 5S -0.00610 -0.00034 -0.00000 -0.01299 0.00262 108 5PX -0.00120 -0.00047 -0.00000 0.00092 0.00059 109 5PY -0.00040 -0.00495 -0.00000 -0.00066 0.00015 110 5PZ -0.00000 -0.00000 -0.00881 -0.00000 0.00000 111 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 112 6D+1 -0.00000 0.00000 0.00002 -0.00000 -0.00000 113 6D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 114 6D+2 -0.00001 0.00001 0.00000 -0.00000 -0.00000 115 6D-2 0.00000 0.00002 0.00000 -0.00000 -0.00000 116 7D 0 -0.00003 -0.00000 0.00000 0.00001 0.00001 117 7D+1 -0.00000 0.00000 0.00064 0.00000 -0.00000 118 7D-1 -0.00000 -0.00000 0.00008 0.00000 -0.00000 119 7D+2 -0.00024 0.00037 0.00000 -0.00001 -0.00000 120 7D-2 -0.00003 0.00068 0.00000 -0.00002 -0.00001 121 7 H 1S -0.00081 -0.00122 -0.00000 0.00626 -0.00139 122 2S -0.00112 -0.00502 -0.00000 0.01970 -0.00471 123 3S -0.00089 -0.00354 -0.00000 0.00909 -0.00190 124 4PX 0.00026 0.00024 0.00000 0.00005 0.00002 125 4PY -0.00012 0.00004 0.00000 0.00046 -0.00009 126 4PZ -0.00000 0.00000 -0.00006 0.00000 -0.00000 127 8 H 1S 0.00105 0.00797 0.01485 0.00209 0.00008 128 2S 0.00190 0.01808 0.03819 0.00839 0.00030 129 3S -0.00004 0.00427 0.01259 0.00334 0.00015 130 4PX 0.00048 0.00006 0.00009 0.00000 -0.00000 131 4PY 0.00004 0.00022 0.00069 0.00005 0.00000 132 4PZ 0.00009 0.00067 -0.00029 0.00007 0.00000 16 17 18 19 20 16 5PY 0.00312 17 5PZ 0.00000 0.00181 18 6D 0 0.00000 0.00000 0.00047 19 6D+1 0.00000 0.00000 -0.00000 0.00047 20 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00045 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 0.00023 -0.00000 0.00000 24 7D+1 0.00000 0.00000 -0.00000 0.00062 -0.00000 25 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00014 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 0.00010 0.00000 -0.00000 -0.00000 -0.00000 29 2S 0.00012 0.00000 -0.00000 -0.00000 -0.00000 30 2PX -0.00002 -0.00000 0.00002 0.00000 0.00000 31 2PY -0.00018 -0.00000 0.00005 0.00000 0.00000 32 2PZ -0.00000 -0.00012 0.00000 0.00001 0.00001 33 3S -0.00084 -0.00000 0.00022 0.00000 0.00000 34 3PX -0.00009 -0.00000 0.00010 -0.00000 0.00000 35 3PY -0.00097 -0.00000 0.00020 0.00000 0.00000 36 3PZ -0.00000 -0.00069 0.00000 0.00011 0.00006 37 4S 0.00187 0.00000 0.00008 0.00000 0.00000 38 4PX 0.00015 -0.00000 0.00000 -0.00000 0.00000 39 4PY -0.00134 -0.00000 0.00000 0.00000 0.00000 40 4PZ -0.00000 -0.00165 0.00000 0.00007 0.00003 41 5S -0.00444 -0.00000 0.00000 0.00000 -0.00000 42 5PX -0.00027 0.00000 -0.00000 -0.00000 0.00000 43 5PY 0.00190 0.00000 -0.00000 0.00000 0.00000 44 5PZ 0.00000 -0.00129 -0.00000 0.00001 -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 0.00001 -0.00000 0.00000 -0.00001 48 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 49 6D-2 -0.00001 -0.00000 0.00001 0.00000 0.00000 50 7D 0 -0.00000 0.00000 -0.00000 0.00000 -0.00000 51 7D+1 0.00000 0.00001 0.00000 -0.00000 0.00001 52 7D-1 0.00000 0.00011 -0.00000 0.00003 -0.00009 53 7D+2 -0.00009 -0.00000 -0.00000 0.00000 0.00000 54 7D-2 -0.00009 -0.00000 0.00000 -0.00000 0.00000 55 3 O 1S 0.00019 0.00000 0.00000 -0.00000 0.00000 56 2S 0.00026 0.00000 0.00000 -0.00000 0.00000 57 2PX -0.00002 0.00000 0.00000 -0.00000 -0.00000 58 2PY -0.00007 -0.00000 -0.00000 0.00000 0.00000 59 2PZ -0.00000 -0.00007 0.00000 0.00000 0.00000 60 3S -0.00318 -0.00000 -0.00000 0.00000 -0.00000 61 3PX -0.00015 -0.00000 0.00000 -0.00000 -0.00000 62 3PY -0.00040 -0.00000 -0.00000 0.00000 0.00000 63 3PZ -0.00000 -0.00044 0.00000 0.00000 0.00000 64 4S -0.00416 -0.00000 -0.00000 0.00000 -0.00000 65 4PX -0.00058 0.00000 0.00000 -0.00000 -0.00000 66 4PY -0.00084 -0.00000 -0.00001 -0.00000 0.00000 67 4PZ -0.00000 -0.00147 0.00000 0.00000 0.00005 68 5S 0.00156 0.00000 0.00000 -0.00000 -0.00000 69 5PX -0.00031 0.00000 -0.00000 0.00000 -0.00000 70 5PY -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 71 5PZ -0.00000 -0.00016 0.00000 -0.00000 0.00002 72 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 74 6D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 77 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 79 7D-1 -0.00000 -0.00002 0.00000 0.00000 0.00000 80 7D+2 0.00001 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 82 4 H 1S -0.00001 -0.00000 0.00000 -0.00000 -0.00000 83 2S -0.00009 -0.00000 0.00001 -0.00000 -0.00000 84 3S -0.00077 -0.00000 -0.00000 -0.00000 -0.00000 85 4PX 0.00001 -0.00000 0.00000 -0.00000 -0.00000 86 4PY -0.00001 -0.00000 0.00000 0.00000 0.00000 87 4PZ -0.00000 -0.00002 -0.00000 0.00000 0.00000 88 5 H 1S 0.00018 0.00054 0.00026 0.00015 0.00064 89 2S 0.00046 0.00188 0.00022 0.00015 0.00064 90 3S 0.00021 0.00007 0.00001 0.00002 0.00005 91 4PX 0.00000 0.00000 -0.00000 -0.00001 0.00001 92 4PY 0.00003 0.00001 -0.00001 0.00002 0.00002 93 4PZ 0.00001 -0.00003 -0.00000 0.00001 0.00005 94 6 O 1S -0.00006 -0.00000 -0.00000 -0.00000 0.00000 95 2S -0.00008 -0.00000 -0.00000 -0.00000 0.00000 96 2PX 0.00001 0.00000 0.00006 0.00000 0.00000 97 2PY 0.00022 0.00000 0.00001 0.00000 0.00000 98 2PZ 0.00000 0.00024 0.00000 0.00005 0.00001 99 3S 0.00097 0.00000 0.00032 0.00000 -0.00000 100 3PX 0.00004 0.00000 0.00046 0.00000 0.00000 101 3PY 0.00145 0.00000 0.00007 0.00000 0.00000 102 3PZ 0.00000 0.00157 0.00000 0.00071 0.00008 103 4S 0.00108 0.00000 0.00024 -0.00000 -0.00000 104 4PX 0.00011 0.00000 0.00011 -0.00000 0.00000 105 4PY 0.00360 0.00000 0.00002 0.00000 -0.00000 106 4PZ 0.00000 0.00532 0.00000 0.00122 0.00015 107 5S -0.00037 -0.00000 -0.00001 0.00000 0.00000 108 5PX -0.00003 0.00000 0.00000 -0.00000 0.00000 109 5PY 0.00014 0.00000 -0.00000 0.00000 0.00000 110 5PZ 0.00000 0.00189 0.00000 0.00011 0.00002 111 6D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 112 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 113 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 6D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 115 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 116 7D 0 -0.00000 0.00000 0.00002 0.00000 -0.00000 117 7D+1 0.00000 0.00004 0.00000 0.00008 -0.00000 118 7D-1 0.00000 -0.00000 -0.00000 -0.00003 0.00001 119 7D+2 -0.00000 0.00000 0.00004 0.00000 -0.00000 120 7D-2 0.00003 0.00000 -0.00000 0.00000 0.00000 121 7 H 1S 0.00130 0.00000 -0.00000 0.00000 0.00000 122 2S 0.00325 0.00000 -0.00004 -0.00000 0.00000 123 3S 0.00070 0.00000 -0.00001 -0.00000 0.00000 124 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 125 4PY -0.00010 -0.00000 0.00000 0.00000 0.00000 126 4PZ -0.00000 0.00009 0.00000 0.00000 0.00000 127 8 H 1S 0.00018 0.00054 0.00026 0.00015 0.00064 128 2S 0.00046 0.00188 0.00022 0.00015 0.00064 129 3S 0.00021 0.00007 0.00001 0.00002 0.00005 130 4PX 0.00000 0.00000 -0.00000 -0.00001 0.00001 131 4PY 0.00003 0.00001 -0.00001 0.00002 0.00002 132 4PZ 0.00001 -0.00003 -0.00000 0.00001 0.00005 21 22 23 24 25 21 6D+2 0.00063 22 6D-2 -0.00000 0.00074 23 7D 0 0.00000 -0.00000 0.00075 24 7D+1 0.00000 0.00000 -0.00000 0.00398 25 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00074 26 7D+2 0.00037 0.00000 0.00000 0.00000 0.00000 27 7D-2 -0.00000 0.00061 -0.00000 0.00000 -0.00000 28 2 C 1S -0.00000 -0.00001 -0.00020 -0.00000 -0.00000 29 2S -0.00000 -0.00001 -0.00028 -0.00000 -0.00000 30 2PX 0.00005 0.00009 -0.00000 0.00000 0.00000 31 2PY -0.00000 0.00018 0.00024 0.00000 -0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00056 0.00037 33 3S 0.00003 0.00069 0.00127 0.00000 0.00000 34 3PX 0.00032 0.00031 0.00003 0.00000 0.00000 35 3PY -0.00000 0.00076 0.00042 0.00000 -0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00225 0.00147 37 4S -0.00001 0.00020 0.00056 0.00000 -0.00000 38 4PX 0.00007 -0.00002 -0.00001 -0.00000 -0.00000 39 4PY 0.00003 0.00004 -0.00008 0.00000 -0.00000 40 4PZ 0.00000 -0.00000 0.00000 0.00162 0.00083 41 5S -0.00000 0.00001 -0.00003 0.00000 -0.00000 42 5PX 0.00000 -0.00000 0.00001 -0.00000 0.00000 43 5PY 0.00000 -0.00000 0.00002 0.00000 -0.00000 44 5PZ -0.00000 -0.00000 -0.00000 0.00016 -0.00001 45 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 46 6D+1 -0.00000 0.00000 0.00000 0.00001 0.00002 47 6D-1 0.00000 0.00000 -0.00000 -0.00002 -0.00004 48 6D+2 -0.00001 0.00000 -0.00000 0.00000 -0.00000 49 6D-2 -0.00000 0.00003 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 0.00012 52 7D-1 -0.00000 -0.00000 -0.00000 0.00008 -0.00011 53 7D+2 -0.00005 0.00000 0.00001 -0.00000 -0.00000 54 7D-2 -0.00002 0.00002 -0.00010 0.00000 0.00000 55 3 O 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 56 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 58 2PY 0.00000 -0.00000 -0.00001 0.00000 0.00000 59 2PZ 0.00000 -0.00000 0.00000 0.00000 0.00002 60 3S 0.00000 -0.00000 -0.00009 0.00000 0.00000 61 3PX 0.00000 -0.00000 0.00001 0.00000 -0.00000 62 3PY 0.00000 -0.00000 -0.00011 0.00000 0.00000 63 3PZ 0.00000 -0.00000 0.00000 0.00004 0.00020 64 4S -0.00001 0.00000 -0.00014 0.00000 -0.00000 65 4PX 0.00001 0.00000 0.00001 0.00000 -0.00000 66 4PY 0.00006 -0.00001 -0.00020 0.00000 0.00000 67 4PZ 0.00000 -0.00000 0.00000 0.00016 0.00091 68 5S -0.00001 -0.00000 0.00004 -0.00000 -0.00000 69 5PX -0.00000 0.00002 -0.00000 -0.00000 -0.00000 70 5PY -0.00000 -0.00001 -0.00001 -0.00000 0.00000 71 5PZ -0.00000 0.00000 0.00000 -0.00007 0.00020 72 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 73 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 77 7D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 78 7D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 79 7D-1 0.00000 -0.00000 0.00000 0.00002 0.00006 80 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 81 7D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 82 4 H 1S 0.00000 -0.00000 0.00006 -0.00000 -0.00000 83 2S 0.00003 -0.00002 0.00026 -0.00000 -0.00000 84 3S 0.00002 -0.00004 0.00006 -0.00000 -0.00000 85 4PX 0.00000 0.00000 0.00003 -0.00000 -0.00000 86 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00002 0.00000 88 5 H 1S 0.00007 0.00005 0.00053 0.00082 0.00045 89 2S 0.00006 0.00006 0.00056 0.00112 0.00072 90 3S 0.00000 0.00000 0.00006 0.00031 0.00032 91 4PX -0.00001 -0.00002 -0.00001 -0.00007 0.00000 92 4PY -0.00000 -0.00000 -0.00005 0.00005 -0.00001 93 4PZ 0.00002 0.00001 -0.00007 0.00001 0.00000 94 6 O 1S -0.00001 -0.00000 0.00002 0.00000 0.00000 95 2S -0.00001 -0.00000 -0.00000 0.00000 0.00000 96 2PX 0.00012 0.00011 0.00034 0.00000 0.00000 97 2PY 0.00004 0.00000 -0.00000 0.00000 0.00000 98 2PZ 0.00000 -0.00000 0.00000 0.00210 0.00022 99 3S 0.00069 0.00011 0.00043 0.00000 -0.00000 100 3PX 0.00090 0.00084 0.00112 0.00000 0.00000 101 3PY 0.00040 0.00016 -0.00001 0.00000 0.00000 102 3PZ 0.00000 0.00000 0.00000 0.01051 0.00108 103 4S 0.00054 -0.00006 -0.00013 0.00000 -0.00000 104 4PX 0.00015 0.00038 -0.00003 0.00000 0.00000 105 4PY 0.00028 0.00036 0.00000 0.00000 0.00000 106 4PZ 0.00000 -0.00000 0.00000 0.01562 0.00159 107 5S -0.00001 -0.00002 -0.00011 0.00000 -0.00000 108 5PX -0.00000 0.00000 -0.00002 -0.00000 0.00000 109 5PY 0.00000 0.00004 -0.00001 0.00000 -0.00000 110 5PZ 0.00000 -0.00000 0.00000 0.00212 0.00021 111 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 -0.00000 -0.00000 0.00002 0.00000 113 6D-1 -0.00000 0.00000 -0.00000 -0.00001 0.00000 114 6D+2 0.00001 -0.00000 -0.00000 0.00000 -0.00000 115 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 116 7D 0 0.00002 0.00001 0.00005 0.00000 0.00000 117 7D+1 0.00000 -0.00000 0.00000 0.00041 0.00009 118 7D-1 -0.00000 0.00000 -0.00000 -0.00017 0.00006 119 7D+2 0.00005 0.00004 -0.00006 0.00000 0.00000 120 7D-2 0.00004 0.00002 0.00002 0.00000 0.00000 121 7 H 1S -0.00000 0.00001 -0.00000 0.00000 0.00000 122 2S -0.00000 0.00016 -0.00006 0.00000 0.00000 123 3S -0.00000 0.00002 -0.00002 -0.00000 0.00000 124 4PX -0.00000 0.00001 0.00005 0.00000 0.00000 125 4PY -0.00000 0.00001 0.00002 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00021 0.00008 127 8 H 1S 0.00007 0.00005 0.00053 0.00082 0.00045 128 2S 0.00006 0.00006 0.00056 0.00112 0.00072 129 3S 0.00000 0.00000 0.00006 0.00031 0.00032 130 4PX -0.00001 -0.00002 -0.00001 -0.00007 0.00000 131 4PY -0.00000 -0.00000 -0.00005 0.00005 -0.00001 132 4PZ 0.00002 0.00001 -0.00007 0.00001 0.00000 26 27 28 29 30 26 7D+2 0.00177 27 7D-2 0.00000 0.00272 28 2 C 1S 0.00000 -0.00050 0.65957 29 2S 0.00000 -0.00085 0.49328 0.49142 30 2PX 0.00065 0.00031 0.00000 0.00000 0.09278 31 2PY 0.00024 0.00094 0.00000 0.00000 -0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.00003 0.00592 -0.02848 -0.06376 0.00000 34 3PX 0.00204 0.00034 0.00000 0.00000 0.08087 35 3PY 0.00112 0.00211 0.00000 0.00000 0.00000 36 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 37 4S -0.00019 0.00206 -0.00815 -0.01608 0.00000 38 4PX 0.00061 -0.00036 0.00000 0.00000 0.01337 39 4PY 0.00084 -0.00000 0.00000 0.00000 0.00000 40 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 41 5S -0.00003 0.00023 -0.00109 -0.00160 0.00000 42 5PX 0.00000 -0.00007 0.00000 0.00000 0.00066 43 5PY 0.00012 -0.00012 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 -0.00014 0.00000 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00001 -0.00000 0.00000 0.00000 50 7D 0 -0.00001 0.00002 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 -0.00059 -0.00006 0.00000 0.00000 0.00000 54 7D-2 0.00001 -0.00000 -0.00000 -0.00000 0.00000 55 3 O 1S -0.00001 0.00000 0.00000 0.00000 -0.00001 56 2S -0.00001 0.00000 0.00000 -0.00000 -0.00001 57 2PX -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 58 2PY 0.00006 0.00001 -0.00004 -0.00001 0.00044 59 2PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 60 3S 0.00014 -0.00001 -0.00014 -0.00019 0.00078 61 3PX -0.00020 -0.00006 -0.00017 -0.00029 0.00013 62 3PY 0.00046 0.00006 -0.00134 -0.00221 0.00405 63 3PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 64 4S -0.00025 0.00004 -0.00045 0.00024 0.00020 65 4PX -0.00059 -0.00030 -0.00045 -0.00077 0.00018 66 4PY 0.00056 0.00014 -0.00369 -0.00609 0.00248 67 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 68 5S -0.00022 -0.00002 0.00079 0.00140 -0.00027 69 5PX -0.00012 0.00009 0.00002 0.00003 -0.00103 70 5PY 0.00001 -0.00007 0.00035 0.00046 -0.00008 71 5PZ -0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00001 73 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 75 6D+2 0.00000 0.00000 -0.00000 -0.00000 0.00006 76 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 77 7D 0 0.00001 -0.00000 -0.00020 -0.00029 0.00005 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 79 7D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 80 7D+2 0.00002 0.00005 -0.00037 -0.00054 0.00105 81 7D-2 -0.00002 -0.00001 -0.00022 -0.00033 0.00023 82 4 H 1S 0.00019 0.00001 -0.00022 -0.00031 0.00700 83 2S 0.00084 -0.00012 -0.00232 -0.00400 0.01843 84 3S 0.00029 -0.00031 0.00036 0.00043 0.00258 85 4PX 0.00005 0.00004 -0.00053 -0.00082 0.00267 86 4PY 0.00001 0.00001 -0.00002 -0.00002 0.00019 87 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 88 5 H 1S 0.00032 0.00020 0.00000 0.00000 -0.00000 89 2S 0.00038 0.00032 0.00001 0.00002 -0.00003 90 3S 0.00004 0.00005 0.00008 0.00015 -0.00006 91 4PX -0.00002 -0.00009 -0.00000 -0.00000 0.00000 92 4PY -0.00004 -0.00000 -0.00000 -0.00000 0.00000 93 4PZ 0.00004 0.00002 0.00000 0.00000 -0.00000 94 6 O 1S -0.00016 0.00001 -0.00000 -0.00000 0.00000 95 2S -0.00031 0.00001 0.00000 0.00000 -0.00000 96 2PX 0.00008 0.00073 0.00000 -0.00000 -0.00000 97 2PY 0.00074 0.00076 0.00000 -0.00000 -0.00000 98 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 99 3S 0.00405 0.00001 0.00000 0.00000 -0.00000 100 3PX 0.00027 0.00278 0.00000 0.00000 -0.00000 101 3PY 0.00322 0.00399 0.00000 0.00000 -0.00000 102 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 103 4S 0.00380 -0.00146 -0.00001 -0.00001 -0.00000 104 4PX -0.00007 0.00153 0.00004 0.00007 -0.00055 105 4PY 0.00283 0.00521 0.00001 0.00002 -0.00008 106 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 5S 0.00011 -0.00023 -0.00004 -0.00007 -0.00001 108 5PX 0.00001 -0.00001 0.00003 0.00009 -0.00032 109 5PY 0.00011 0.00053 0.00003 0.00006 -0.00016 110 5PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 111 6D 0 0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 6D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 113 6D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 114 6D+2 -0.00000 -0.00001 -0.00000 0.00000 0.00000 115 6D-2 0.00001 0.00000 -0.00000 0.00000 0.00000 116 7D 0 -0.00000 -0.00003 0.00000 0.00000 0.00000 117 7D+1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 118 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 119 7D+2 -0.00004 0.00005 -0.00000 -0.00000 0.00000 120 7D-2 0.00014 0.00022 -0.00000 -0.00000 0.00000 121 7 H 1S -0.00002 0.00120 0.00000 -0.00000 -0.00000 122 2S -0.00006 0.00320 0.00001 0.00001 -0.00009 123 3S -0.00001 0.00039 0.00002 0.00004 -0.00009 124 4PX -0.00001 0.00014 0.00000 0.00000 -0.00000 125 4PY -0.00011 0.00029 0.00000 0.00000 -0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 127 8 H 1S 0.00032 0.00020 0.00000 0.00000 -0.00000 128 2S 0.00038 0.00032 0.00001 0.00002 -0.00003 129 3S 0.00004 0.00005 0.00008 0.00015 -0.00006 130 4PX -0.00002 -0.00009 -0.00000 -0.00000 0.00000 131 4PY -0.00004 -0.00000 -0.00000 -0.00000 0.00000 132 4PZ 0.00004 0.00002 0.00000 0.00000 -0.00000 31 32 33 34 35 31 2PY 0.09441 32 2PZ 0.00000 0.05382 33 3S 0.00000 0.00000 0.47458 34 3PX 0.00000 0.00000 0.00000 0.17868 35 3PY 0.08155 0.00000 0.00000 0.00000 0.17939 36 3PZ 0.00000 0.05039 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.19317 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.05581 0.00000 39 4PY 0.01214 0.00000 0.00000 0.00000 0.05115 40 4PZ 0.00000 0.01160 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 0.01662 0.00000 0.00000 42 5PX -0.00000 0.00000 0.00000 0.00353 -0.00000 43 5PY -0.00004 -0.00000 0.00000 0.00000 -0.00003 44 5PZ -0.00000 0.00051 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 O 1S -0.00005 -0.00000 -0.00019 -0.00012 -0.00082 56 2S -0.00005 -0.00000 -0.00029 -0.00020 -0.00139 57 2PX 0.00045 0.00000 0.00097 0.00015 0.00300 58 2PY 0.00242 0.00000 0.00717 0.00266 0.01255 59 2PZ 0.00000 0.00030 0.00000 0.00000 0.00000 60 3S 0.00548 0.00000 0.00466 0.00283 0.02052 61 3PX 0.00417 0.00000 0.00563 0.00110 0.01317 62 3PY 0.02007 0.00000 0.04128 0.01185 0.04849 63 3PZ 0.00000 0.00481 0.00000 0.00000 0.00000 64 4S -0.00058 -0.00000 -0.02611 -0.00048 -0.01127 65 4PX 0.00256 0.00000 0.00719 -0.00017 0.00883 66 4PY 0.00813 0.00000 0.04936 0.00760 0.01797 67 4PZ 0.00000 0.01110 0.00000 0.00000 0.00000 68 5S -0.00134 -0.00000 -0.01932 -0.00135 -0.00678 69 5PX -0.00006 0.00000 -0.00003 -0.00555 -0.00030 70 5PY -0.00019 -0.00000 -0.00283 -0.00042 -0.00125 71 5PZ -0.00000 0.00037 -0.00000 0.00000 -0.00000 72 6D 0 0.00008 0.00000 0.00010 0.00002 0.00012 73 6D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 6D-1 0.00000 0.00003 0.00000 0.00000 0.00000 75 6D+2 0.00011 0.00000 0.00019 0.00019 0.00014 76 6D-2 0.00013 0.00000 0.00013 0.00003 0.00026 77 7D 0 0.00043 0.00000 0.00097 0.00004 0.00037 78 7D+1 0.00000 0.00019 -0.00000 -0.00000 -0.00000 79 7D-1 0.00000 0.00178 0.00000 0.00000 0.00000 80 7D+2 0.00039 -0.00000 0.00197 0.00217 0.00012 81 7D-2 0.00096 0.00000 0.00126 0.00097 0.00131 82 4 H 1S 0.00026 0.00000 0.01583 0.03629 0.00118 83 2S 0.00055 0.00000 0.04701 0.07136 0.00179 84 3S -0.00003 -0.00000 -0.00297 0.01279 -0.00024 85 4PX 0.00026 0.00000 0.00673 0.00484 0.00060 86 4PY 0.00024 0.00000 0.00021 0.00048 0.00109 87 4PZ 0.00000 0.00030 0.00000 0.00000 0.00000 88 5 H 1S -0.00000 0.00000 -0.00006 -0.00003 -0.00013 89 2S -0.00016 0.00005 -0.00128 -0.00035 -0.00157 90 3S -0.00054 -0.00002 -0.00261 -0.00041 -0.00305 91 4PX 0.00000 -0.00000 0.00002 -0.00000 0.00005 92 4PY 0.00001 0.00000 0.00004 0.00005 0.00015 93 4PZ -0.00000 0.00000 -0.00002 -0.00000 -0.00003 94 6 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 95 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 96 2PX -0.00000 -0.00000 -0.00000 -0.00002 -0.00001 97 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 98 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 99 3S 0.00000 0.00000 0.00000 -0.00003 0.00000 100 3PX -0.00000 -0.00000 -0.00012 -0.00035 -0.00013 101 3PY -0.00000 -0.00000 -0.00003 -0.00008 -0.00001 102 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4S 0.00003 0.00000 0.00058 0.00037 0.00032 104 4PX -0.00016 0.00000 -0.00237 -0.00378 -0.00133 105 4PY -0.00000 -0.00000 -0.00056 -0.00079 0.00008 106 4PZ -0.00000 -0.00006 -0.00000 0.00000 0.00000 107 5S 0.00001 0.00000 0.00122 0.00001 0.00008 108 5PX -0.00008 0.00000 -0.00180 -0.00165 -0.00044 109 5PY 0.00015 0.00000 -0.00099 -0.00090 0.00098 110 5PZ 0.00000 -0.00010 -0.00000 0.00000 0.00000 111 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 115 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 7D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 7D+2 0.00000 0.00000 0.00002 0.00006 0.00003 120 7D-2 0.00000 0.00000 0.00001 0.00004 0.00000 121 7 H 1S 0.00000 0.00000 -0.00002 -0.00006 0.00000 122 2S 0.00001 0.00000 -0.00064 -0.00121 0.00008 123 3S -0.00001 -0.00000 -0.00109 -0.00073 -0.00004 124 4PX 0.00000 0.00000 -0.00001 -0.00001 0.00000 125 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 126 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 8 H 1S -0.00000 0.00000 -0.00006 -0.00003 -0.00013 128 2S -0.00016 0.00005 -0.00128 -0.00035 -0.00157 129 3S -0.00054 -0.00002 -0.00261 -0.00041 -0.00305 130 4PX 0.00000 -0.00000 0.00002 -0.00000 0.00005 131 4PY 0.00001 0.00000 0.00004 0.00005 0.00015 132 4PZ -0.00000 0.00000 -0.00002 -0.00000 -0.00003 36 37 38 39 40 36 3PZ 0.11922 37 4S 0.00000 0.17586 38 4PX 0.00000 0.00000 0.04546 39 4PY 0.00000 0.00000 0.00000 0.04046 40 4PZ 0.05121 0.00000 0.00000 0.00000 0.05178 41 5S 0.00000 0.00232 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00409 -0.00000 0.00000 43 5PY -0.00000 0.00000 0.00000 0.00017 0.00000 44 5PZ 0.00297 0.00000 0.00000 0.00000 0.00598 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 O 1S -0.00000 0.00200 0.00032 0.00059 0.00000 56 2S -0.00000 0.00294 0.00043 0.00079 0.00000 57 2PX 0.00000 0.00036 -0.00018 0.00029 0.00000 58 2PY 0.00000 0.00168 0.00028 0.00073 0.00000 59 2PZ 0.00469 0.00000 0.00000 0.00000 0.00375 60 3S 0.00000 -0.04008 -0.00404 -0.00761 -0.00000 61 3PX 0.00000 0.00205 -0.00102 0.00147 0.00000 62 3PY 0.00000 0.00927 0.00146 0.00229 0.00000 63 3PZ 0.02810 0.00000 0.00000 0.00000 0.02211 64 4S -0.00000 -0.08464 -0.00622 -0.02994 -0.00000 65 4PX 0.00000 0.00427 -0.00592 0.00098 0.00000 66 4PY 0.00000 0.01403 0.00133 -0.00387 -0.00000 67 4PZ 0.05013 0.00000 0.00000 -0.00000 0.04969 68 5S -0.00000 -0.01509 -0.00129 -0.00785 -0.00000 69 5PX 0.00000 0.00029 -0.00864 -0.00067 -0.00000 70 5PY -0.00000 -0.00343 -0.00047 -0.00238 -0.00000 71 5PZ 0.00196 -0.00000 0.00000 -0.00000 0.00274 72 6D 0 0.00000 0.00001 -0.00000 -0.00001 0.00000 73 6D+1 0.00003 -0.00000 -0.00000 -0.00000 0.00001 74 6D-1 0.00021 0.00000 0.00000 0.00000 0.00006 75 6D+2 0.00000 0.00001 0.00001 -0.00002 -0.00000 76 6D-2 0.00000 0.00001 0.00001 0.00000 0.00000 77 7D 0 0.00000 0.00008 -0.00000 -0.00007 0.00000 78 7D+1 0.00058 -0.00000 -0.00000 -0.00000 0.00020 79 7D-1 0.00537 0.00000 0.00000 0.00000 0.00186 80 7D+2 0.00000 0.00014 0.00028 -0.00012 0.00000 81 7D-2 0.00000 0.00014 0.00032 0.00001 0.00000 82 4 H 1S 0.00000 0.01617 0.01896 0.00055 0.00000 83 2S 0.00000 0.04660 0.04806 0.00099 0.00000 84 3S -0.00000 -0.00142 0.01520 -0.00079 -0.00000 85 4PX 0.00000 0.00273 0.00004 0.00015 0.00000 86 4PY 0.00000 0.00003 0.00012 0.00053 0.00000 87 4PZ 0.00134 0.00000 0.00000 0.00000 0.00093 88 5 H 1S 0.00006 -0.00088 -0.00009 -0.00180 0.00045 89 2S 0.00049 -0.00396 -0.00043 -0.00629 0.00124 90 3S -0.00008 -0.00519 -0.00066 -0.00487 0.00018 91 4PX -0.00001 0.00005 -0.00003 0.00009 -0.00002 92 4PY 0.00003 0.00014 0.00011 0.00014 0.00005 93 4PZ 0.00000 -0.00006 0.00000 -0.00014 -0.00001 94 6 O 1S -0.00000 -0.00008 -0.00013 -0.00003 -0.00000 95 2S -0.00000 -0.00012 -0.00017 -0.00004 -0.00000 96 2PX -0.00000 -0.00015 -0.00019 -0.00010 0.00000 97 2PY -0.00000 -0.00006 -0.00010 0.00003 0.00000 98 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00010 99 3S 0.00000 0.00198 0.00208 0.00084 0.00000 100 3PX -0.00000 -0.00100 -0.00112 -0.00061 0.00000 101 3PY -0.00000 -0.00044 -0.00062 0.00023 0.00000 102 3PZ -0.00003 -0.00000 0.00000 0.00000 -0.00071 103 4S 0.00000 0.00744 0.00605 0.00268 0.00000 104 4PX -0.00000 -0.00427 -0.00395 -0.00200 0.00000 105 4PY 0.00000 -0.00158 -0.00169 0.00117 0.00000 106 4PZ -0.00058 -0.00000 0.00000 0.00000 -0.00304 107 5S 0.00000 0.00236 0.00030 0.00045 0.00000 108 5PX -0.00000 -0.00236 -0.00174 -0.00076 -0.00000 109 5PY 0.00000 -0.00126 -0.00097 0.00197 0.00000 110 5PZ -0.00064 -0.00000 -0.00000 0.00000 -0.00194 111 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 115 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 116 7D 0 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 117 7D+1 0.00001 0.00000 -0.00000 0.00000 -0.00000 118 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 119 7D+2 0.00000 0.00008 0.00007 0.00008 0.00000 120 7D-2 -0.00000 0.00000 0.00001 -0.00001 -0.00000 121 7 H 1S 0.00000 -0.00040 -0.00077 0.00007 0.00000 122 2S 0.00000 -0.00297 -0.00417 0.00037 0.00000 123 3S -0.00000 -0.00291 -0.00241 0.00008 0.00000 124 4PX 0.00000 -0.00011 -0.00008 0.00001 -0.00000 125 4PY -0.00000 0.00000 -0.00000 -0.00005 -0.00000 126 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00004 127 8 H 1S 0.00006 -0.00088 -0.00009 -0.00180 0.00045 128 2S 0.00049 -0.00396 -0.00043 -0.00629 0.00124 129 3S -0.00008 -0.00519 -0.00066 -0.00487 0.00018 130 4PX -0.00001 0.00005 -0.00003 0.00009 -0.00002 131 4PY 0.00003 0.00014 0.00011 0.00014 0.00005 132 4PZ 0.00000 -0.00006 0.00000 -0.00014 -0.00001 41 42 43 44 45 41 5S 0.05499 42 5PX 0.00000 0.00273 43 5PY 0.00000 0.00000 0.00655 44 5PZ 0.00000 0.00000 0.00000 0.00242 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00034 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 0.00004 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 O 1S -0.00085 -0.00007 -0.00000 -0.00000 -0.00002 56 2S -0.00114 -0.00010 -0.00002 -0.00000 -0.00002 57 2PX -0.00007 0.00007 0.00005 0.00000 0.00003 58 2PY 0.00033 0.00001 0.00016 0.00000 0.00021 59 2PZ 0.00000 0.00000 0.00000 0.00024 0.00000 60 3S 0.01376 0.00136 0.00066 0.00000 0.00055 61 3PX -0.00043 0.00043 0.00032 0.00000 0.00011 62 3PY 0.00215 0.00008 0.00108 0.00000 0.00073 63 3PZ 0.00000 0.00000 0.00000 0.00159 0.00000 64 4S 0.01975 0.00216 0.00177 0.00000 0.00011 65 4PX -0.00160 0.00127 0.00096 0.00000 0.00000 66 4PY 0.00556 0.00017 0.00349 0.00000 0.00002 67 4PZ 0.00000 0.00000 0.00000 0.00497 0.00000 68 5S -0.00775 -0.00019 0.00132 0.00000 -0.00001 69 5PX -0.00058 -0.00069 0.00031 0.00000 -0.00000 70 5PY -0.00005 -0.00002 0.00004 0.00000 -0.00000 71 5PZ -0.00000 -0.00000 0.00000 -0.00003 0.00000 72 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00001 73 6D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 0.00001 76 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00001 77 7D 0 0.00001 -0.00000 0.00000 0.00000 0.00002 78 7D+1 -0.00000 -0.00000 -0.00000 0.00001 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.00005 0.00000 80 7D+2 0.00002 0.00001 0.00004 0.00000 0.00001 81 7D-2 0.00000 0.00001 -0.00001 0.00000 0.00000 82 4 H 1S -0.00100 0.00137 0.00003 0.00000 0.00010 83 2S -0.00410 0.00467 0.00009 0.00000 0.00008 84 3S -0.00041 0.00183 0.00036 0.00000 -0.00000 85 4PX -0.00005 -0.00011 -0.00000 0.00000 0.00003 86 4PY -0.00000 0.00000 0.00003 0.00000 0.00000 87 4PZ -0.00000 0.00000 0.00000 0.00007 -0.00000 88 5 H 1S -0.00069 -0.00005 -0.00033 0.00006 0.00000 89 2S -0.00335 -0.00024 -0.00143 0.00020 0.00000 90 3S -0.00192 -0.00012 -0.00089 0.00080 0.00000 91 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 92 4PY -0.00008 -0.00000 0.00000 0.00000 0.00000 93 4PZ -0.00002 -0.00000 -0.00001 -0.00000 0.00000 94 6 O 1S 0.00019 0.00012 -0.00001 -0.00000 -0.00000 95 2S 0.00024 0.00016 -0.00002 -0.00000 0.00000 96 2PX -0.00023 -0.00002 -0.00008 -0.00000 0.00000 97 2PY -0.00022 -0.00005 0.00017 0.00000 -0.00000 98 2PZ -0.00000 -0.00000 0.00000 -0.00015 -0.00000 99 3S -0.00233 -0.00191 0.00050 0.00000 -0.00000 100 3PX -0.00151 -0.00012 -0.00051 -0.00000 0.00000 101 3PY -0.00146 -0.00035 0.00113 0.00000 -0.00000 102 3PZ -0.00000 -0.00000 0.00000 -0.00101 -0.00000 103 4S 0.00389 -0.00159 0.00256 0.00000 -0.00000 104 4PX -0.00545 -0.00032 -0.00154 -0.00000 0.00000 105 4PY -0.00412 -0.00086 0.00345 0.00000 -0.00000 106 4PZ -0.00000 -0.00000 0.00000 -0.00374 -0.00000 107 5S 0.00860 0.00122 0.00119 0.00000 -0.00000 108 5PX -0.00120 -0.00003 -0.00020 -0.00000 -0.00000 109 5PY -0.00098 -0.00024 0.00114 0.00000 0.00000 110 5PZ -0.00000 -0.00000 0.00000 -0.00224 0.00000 111 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 113 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 6D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 116 7D 0 -0.00002 0.00000 0.00000 0.00000 0.00000 117 7D+1 -0.00000 0.00000 -0.00000 -0.00003 0.00000 118 7D-1 -0.00000 0.00000 0.00000 -0.00001 -0.00000 119 7D+2 0.00001 -0.00000 -0.00001 -0.00000 0.00000 120 7D-2 -0.00005 -0.00000 0.00004 0.00000 0.00000 121 7 H 1S -0.00468 -0.00133 0.00014 0.00000 -0.00000 122 2S -0.01532 -0.00384 0.00045 0.00000 -0.00000 123 3S -0.00678 -0.00123 0.00011 0.00000 -0.00000 124 4PX -0.00008 -0.00000 0.00001 -0.00000 0.00000 125 4PY -0.00004 -0.00001 -0.00018 -0.00000 0.00000 126 4PZ -0.00000 -0.00000 -0.00000 -0.00008 0.00000 127 8 H 1S -0.00069 -0.00005 -0.00033 0.00006 0.00000 128 2S -0.00335 -0.00024 -0.00143 0.00020 0.00000 129 3S -0.00192 -0.00012 -0.00089 0.00080 0.00000 130 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 131 4PY -0.00008 -0.00000 0.00000 0.00000 0.00000 132 4PZ -0.00002 -0.00000 -0.00001 -0.00000 0.00000 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 -0.00000 0.00069 48 6D+2 0.00000 0.00000 0.00143 49 6D-2 0.00000 0.00000 -0.00000 0.00155 50 7D 0 -0.00000 0.00000 -0.00000 0.00000 0.00015 51 7D+1 0.00006 -0.00000 -0.00000 0.00000 -0.00000 52 7D-1 -0.00000 0.00058 0.00000 0.00000 0.00000 53 7D+2 -0.00000 0.00000 0.00100 -0.00000 -0.00000 54 7D-2 0.00000 0.00000 -0.00000 0.00129 0.00000 55 3 O 1S -0.00000 -0.00000 -0.00003 -0.00002 0.00008 56 2S -0.00000 -0.00000 -0.00005 -0.00003 0.00007 57 2PX -0.00000 0.00000 0.00047 -0.00001 0.00000 58 2PY 0.00000 0.00000 0.00022 0.00063 0.00005 59 2PZ 0.00003 0.00022 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.00121 0.00075 -0.00004 61 3PX 0.00000 0.00000 0.00235 0.00061 0.00001 62 3PY 0.00000 0.00000 0.00069 0.00246 0.00009 63 3PZ 0.00020 0.00161 0.00000 0.00000 0.00000 64 4S -0.00000 0.00000 0.00023 0.00016 -0.00025 65 4PX 0.00000 0.00000 0.00123 0.00130 -0.00001 66 4PY -0.00000 0.00000 -0.00002 0.00049 -0.00008 67 4PZ 0.00017 0.00140 0.00000 0.00000 0.00000 68 5S 0.00000 -0.00000 -0.00002 -0.00001 -0.00003 69 5PX 0.00000 0.00000 0.00006 0.00012 -0.00001 70 5PY -0.00000 -0.00000 0.00001 -0.00000 -0.00000 71 5PZ 0.00000 0.00004 0.00000 0.00000 0.00000 72 6D 0 0.00000 0.00000 0.00001 0.00001 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 74 6D-1 0.00000 0.00002 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00001 0.00003 -0.00000 76 6D-2 0.00000 0.00000 0.00003 0.00000 -0.00000 77 7D 0 0.00000 0.00000 0.00000 0.00001 0.00001 78 7D+1 -0.00001 0.00004 0.00000 -0.00000 -0.00000 79 7D-1 0.00005 0.00029 0.00000 0.00000 0.00000 80 7D+2 -0.00000 0.00000 -0.00001 0.00015 -0.00001 81 7D-2 -0.00000 0.00000 0.00018 0.00004 0.00001 82 4 H 1S 0.00000 -0.00000 0.00096 0.00021 -0.00024 83 2S -0.00000 -0.00000 0.00098 0.00023 -0.00033 84 3S -0.00000 -0.00000 0.00010 0.00004 -0.00003 85 4PX -0.00000 -0.00000 0.00012 0.00000 0.00000 86 4PY -0.00000 -0.00000 -0.00001 -0.00005 0.00000 87 4PZ -0.00003 -0.00001 -0.00000 -0.00000 -0.00000 88 5 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00002 89 2S 0.00001 0.00006 0.00002 -0.00001 0.00008 90 3S 0.00000 0.00004 0.00001 -0.00001 0.00001 91 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 92 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00001 94 6 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 95 2S -0.00000 0.00000 -0.00000 -0.00000 0.00000 96 2PX -0.00000 -0.00000 0.00000 0.00000 0.00001 97 2PY 0.00000 0.00000 -0.00000 0.00000 0.00001 98 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 99 3S 0.00000 -0.00000 0.00000 0.00000 -0.00006 100 3PX -0.00000 -0.00000 0.00000 0.00000 0.00004 101 3PY 0.00000 0.00000 -0.00000 0.00000 0.00006 102 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4S 0.00000 0.00000 -0.00001 0.00001 -0.00025 104 4PX -0.00000 -0.00000 0.00009 -0.00000 0.00011 105 4PY 0.00000 0.00000 -0.00000 0.00000 0.00012 106 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 5S 0.00000 0.00000 -0.00002 0.00001 -0.00005 108 5PX -0.00000 0.00000 0.00000 -0.00001 0.00000 109 5PY -0.00000 0.00000 -0.00001 0.00000 0.00000 110 5PZ -0.00000 -0.00001 0.00000 -0.00000 0.00000 111 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 113 6D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 114 6D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 115 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 116 7D 0 -0.00000 -0.00000 0.00000 -0.00000 0.00000 117 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 118 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 7D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 120 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00001 121 7 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00004 122 2S -0.00000 -0.00000 0.00001 0.00000 0.00019 123 3S -0.00000 -0.00000 0.00003 0.00000 0.00006 124 4PX -0.00000 -0.00000 0.00000 0.00000 0.00001 125 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00002 128 2S 0.00001 0.00006 0.00002 -0.00001 0.00008 129 3S 0.00000 0.00004 0.00001 -0.00001 0.00001 130 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00001 51 52 53 54 55 51 7D+1 0.00022 52 7D-1 -0.00000 0.00262 53 7D+2 -0.00000 0.00000 0.00525 54 7D-2 0.00000 0.00000 -0.00000 0.00560 55 3 O 1S -0.00000 -0.00000 -0.00025 -0.00014 0.63964 56 2S -0.00000 -0.00000 -0.00036 -0.00023 0.51320 57 2PX 0.00000 0.00000 0.00250 0.00175 0.00000 58 2PY 0.00000 -0.00000 -0.00008 0.00115 0.00000 59 2PZ 0.00015 0.00169 0.00000 0.00000 0.00000 60 3S 0.00000 0.00000 0.00287 0.00207 -0.04692 61 3PX 0.00000 0.00000 0.01025 0.00868 0.00000 62 3PY 0.00000 -0.00000 0.00018 0.00368 0.00000 63 3PZ 0.00070 0.00782 0.00000 0.00000 0.00000 64 4S -0.00000 0.00000 0.00047 0.00044 -0.02249 65 4PX 0.00000 0.00000 0.00980 0.01300 0.00000 66 4PY -0.00000 -0.00000 0.00211 0.00106 0.00000 67 4PZ 0.00078 0.00884 0.00000 0.00000 0.00000 68 5S 0.00000 -0.00000 -0.00012 -0.00011 -0.00037 69 5PX 0.00000 0.00000 0.00078 0.00169 0.00000 70 5PY -0.00000 -0.00000 0.00018 -0.00007 0.00000 71 5PZ 0.00003 0.00050 0.00000 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 73 6D+1 -0.00000 0.00001 -0.00000 -0.00000 0.00000 74 6D-1 0.00000 0.00003 -0.00000 0.00000 -0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00002 0.00000 76 6D-2 -0.00000 0.00000 0.00003 0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00001 -0.00006 -0.00000 78 7D+1 -0.00003 0.00008 -0.00000 -0.00000 0.00000 79 7D-1 0.00009 0.00042 0.00000 0.00000 -0.00000 80 7D+2 0.00000 0.00000 0.00010 0.00020 0.00000 81 7D-2 0.00000 0.00000 0.00029 0.00019 0.00000 82 4 H 1S 0.00000 -0.00000 0.00258 0.00113 0.00000 83 2S -0.00000 -0.00000 0.00357 0.00155 0.00001 84 3S -0.00000 -0.00000 0.00109 0.00047 0.00006 85 4PX 0.00000 -0.00000 -0.00002 0.00001 0.00000 86 4PY -0.00000 -0.00000 -0.00004 -0.00015 -0.00000 87 4PZ -0.00007 -0.00005 -0.00000 -0.00000 0.00000 88 5 H 1S 0.00001 0.00046 0.00022 -0.00006 -0.00000 89 2S 0.00004 0.00185 0.00073 -0.00021 0.00000 90 3S -0.00003 0.00069 0.00013 -0.00014 -0.00000 91 4PX 0.00000 -0.00001 0.00001 -0.00000 -0.00000 92 4PY 0.00001 0.00011 0.00005 0.00008 0.00000 93 4PZ 0.00000 0.00001 0.00005 -0.00000 -0.00000 94 6 O 1S -0.00000 -0.00000 0.00001 -0.00001 -0.00000 95 2S -0.00000 -0.00000 0.00001 -0.00001 0.00000 96 2PX -0.00000 -0.00000 0.00003 0.00004 0.00000 97 2PY -0.00000 -0.00000 -0.00003 -0.00000 0.00000 98 2PZ 0.00001 -0.00000 -0.00000 -0.00000 0.00000 99 3S 0.00000 0.00000 -0.00021 0.00018 0.00000 100 3PX -0.00000 -0.00000 0.00026 0.00031 0.00000 101 3PY -0.00000 -0.00000 -0.00028 -0.00000 0.00000 102 3PZ 0.00010 -0.00001 -0.00000 -0.00000 0.00000 103 4S 0.00000 0.00000 -0.00053 0.00048 0.00000 104 4PX -0.00000 -0.00000 0.00062 0.00053 0.00000 105 4PY -0.00000 -0.00000 -0.00081 -0.00001 0.00000 106 4PZ 0.00054 -0.00011 -0.00000 -0.00000 0.00000 107 5S 0.00000 0.00000 -0.00014 0.00006 0.00001 108 5PX -0.00000 0.00000 0.00002 -0.00013 0.00001 109 5PY -0.00000 0.00000 -0.00018 0.00002 0.00002 110 5PZ 0.00015 -0.00016 0.00000 -0.00000 0.00000 111 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 113 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 115 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 116 7D 0 0.00000 -0.00000 0.00000 0.00001 -0.00000 117 7D+1 0.00002 0.00001 -0.00000 -0.00000 0.00000 118 7D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 119 7D+2 0.00000 -0.00000 0.00001 0.00010 -0.00000 120 7D-2 0.00000 -0.00000 0.00001 -0.00000 0.00000 121 7 H 1S 0.00000 0.00000 -0.00015 0.00001 0.00000 122 2S -0.00000 0.00000 -0.00037 0.00010 0.00000 123 3S -0.00000 -0.00000 0.00036 0.00009 -0.00003 124 4PX 0.00000 -0.00000 0.00010 0.00000 -0.00000 125 4PY 0.00000 -0.00000 -0.00002 0.00002 -0.00000 126 4PZ 0.00002 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00001 0.00046 0.00022 -0.00006 -0.00000 128 2S 0.00004 0.00185 0.00073 -0.00021 0.00000 129 3S -0.00003 0.00069 0.00013 -0.00014 -0.00000 130 4PX 0.00000 -0.00001 0.00001 -0.00000 -0.00000 131 4PY 0.00001 0.00011 0.00005 0.00008 0.00000 132 4PZ 0.00000 0.00001 0.00005 -0.00000 -0.00000 56 57 58 59 60 56 2S 0.52326 57 2PX 0.00000 0.17292 58 2PY 0.00000 0.00000 0.14351 59 2PZ 0.00000 0.00000 0.00000 0.11727 60 3S -0.09048 0.00000 0.00000 0.00000 0.69497 61 3PX 0.00000 0.15279 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.12455 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.10585 0.00000 64 4S -0.03714 0.00000 0.00000 0.00000 0.45366 65 4PX 0.00000 0.04267 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.02658 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.02839 0.00000 68 5S -0.00073 0.00000 0.00000 0.00000 0.01381 69 5PX 0.00000 0.00248 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00046 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00066 0.00000 72 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 77 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 79 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 82 4 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 83 2S 0.00001 -0.00023 -0.00003 -0.00000 -0.00062 84 3S 0.00008 -0.00100 0.00016 0.00000 -0.00097 85 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00002 86 4PY -0.00000 0.00000 0.00000 0.00000 0.00001 87 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 89 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 90 3S -0.00000 -0.00000 0.00004 -0.00003 0.00007 91 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 92 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 94 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 95 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 96 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 98 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 99 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 103 4S 0.00000 -0.00001 -0.00001 -0.00000 -0.00001 104 4PX 0.00000 0.00000 -0.00001 -0.00000 -0.00009 105 4PY 0.00000 -0.00005 -0.00001 -0.00000 -0.00016 106 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 107 5S 0.00001 -0.00009 -0.00001 -0.00000 -0.00008 108 5PX 0.00001 0.00004 0.00002 -0.00000 -0.00017 109 5PY 0.00004 -0.00013 0.00003 0.00000 -0.00062 110 5PZ 0.00000 -0.00000 0.00000 0.00004 -0.00000 111 6D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 112 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 113 6D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 114 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 115 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 117 7D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 118 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 -0.00000 0.00000 -0.00000 0.00000 0.00000 120 7D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 121 7 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 122 2S 0.00000 0.00004 0.00001 0.00000 -0.00004 123 3S -0.00005 0.00046 0.00002 0.00000 0.00086 124 4PX -0.00000 0.00000 0.00000 -0.00000 0.00000 125 4PY -0.00000 0.00000 0.00000 0.00000 0.00001 126 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 128 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 129 3S -0.00000 -0.00000 0.00004 -0.00003 0.00007 130 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 131 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 61 62 63 64 65 61 3PX 0.36049 62 3PY 0.00000 0.28871 63 3PZ 0.00000 0.00000 0.25507 64 4S 0.00000 0.00000 0.00000 0.58268 65 4PX 0.19540 0.00000 0.00000 0.00000 0.27503 66 4PY 0.00000 0.11964 0.00000 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.13272 0.00000 0.00000 68 5S 0.00000 0.00000 0.00000 0.04915 0.00000 69 5PX 0.01482 0.00000 0.00000 0.00000 0.04088 70 5PY 0.00000 0.00268 0.00000 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00401 0.00000 0.00000 72 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 H 1S -0.00006 -0.00001 -0.00000 -0.00027 -0.00265 83 2S -0.00215 -0.00027 -0.00000 -0.00139 -0.01258 84 3S -0.00640 0.00100 0.00000 0.00081 -0.02156 85 4PX 0.00001 -0.00003 0.00000 -0.00017 -0.00002 86 4PY 0.00004 0.00004 0.00000 -0.00008 0.00022 87 4PZ 0.00000 0.00000 0.00002 -0.00000 0.00000 88 5 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 89 2S -0.00000 0.00001 -0.00001 -0.00006 0.00001 90 3S -0.00001 0.00027 -0.00022 -0.00030 -0.00003 91 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 92 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 94 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 95 2S 0.00000 0.00000 0.00000 0.00000 0.00000 96 2PX -0.00000 -0.00000 -0.00000 -0.00001 0.00000 97 2PY -0.00000 -0.00000 -0.00000 -0.00001 -0.00004 98 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 99 3S -0.00000 -0.00000 -0.00000 -0.00001 -0.00016 100 3PX -0.00000 -0.00000 -0.00000 -0.00006 -0.00001 101 3PY -0.00000 -0.00000 -0.00000 -0.00016 -0.00041 102 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 103 4S -0.00011 -0.00006 -0.00000 0.00003 -0.00112 104 4PX 0.00004 -0.00014 -0.00000 -0.00048 0.00041 105 4PY -0.00045 -0.00008 -0.00000 -0.00132 -0.00240 106 4PZ -0.00000 -0.00000 0.00002 -0.00000 -0.00000 107 5S -0.00063 -0.00009 -0.00000 -0.00020 -0.00244 108 5PX 0.00026 0.00010 -0.00000 -0.00018 0.00070 109 5PY -0.00084 0.00018 0.00000 -0.00257 -0.00215 110 5PZ -0.00000 0.00000 0.00027 -0.00000 -0.00000 111 6D 0 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 112 6D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 113 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 114 6D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 7D 0 0.00000 0.00000 0.00000 -0.00000 0.00002 117 7D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00002 120 7D-2 0.00000 -0.00000 -0.00000 -0.00002 0.00001 121 7 H 1S 0.00000 0.00000 0.00000 -0.00018 0.00030 122 2S 0.00047 0.00013 0.00000 -0.00090 0.00334 123 3S 0.00298 0.00015 0.00000 0.00282 0.00992 124 4PX 0.00006 0.00000 -0.00000 0.00007 0.00053 125 4PY 0.00005 0.00000 0.00000 0.00012 0.00050 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 128 2S -0.00000 0.00001 -0.00001 -0.00006 0.00001 129 3S -0.00001 0.00027 -0.00022 -0.00030 -0.00003 130 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 131 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 66 67 68 69 70 66 4PY 0.13269 67 4PZ 0.00000 0.17678 68 5S 0.00000 0.00000 0.02023 69 5PX 0.00000 0.00000 0.00000 0.01627 70 5PY 0.00610 0.00000 0.00000 0.00000 0.00168 71 5PZ 0.00000 0.01004 0.00000 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 H 1S 0.00021 0.00000 0.00066 -0.00334 0.00038 83 2S 0.00098 0.00000 0.00288 -0.01169 0.00155 84 3S 0.00527 0.00000 0.00315 -0.01242 0.00252 85 4PX -0.00016 0.00000 0.00005 -0.00003 -0.00001 86 4PY 0.00014 0.00000 -0.00006 -0.00004 -0.00000 87 4PZ 0.00000 0.00026 -0.00000 -0.00000 -0.00000 88 5 H 1S 0.00001 -0.00001 -0.00011 0.00001 0.00008 89 2S 0.00014 -0.00025 -0.00047 0.00005 0.00041 90 3S 0.00090 -0.00097 -0.00070 0.00005 0.00073 91 4PX -0.00000 0.00000 0.00000 0.00001 -0.00000 92 4PY -0.00002 -0.00001 -0.00000 -0.00001 -0.00003 93 4PZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 94 6 O 1S 0.00000 0.00000 -0.00001 0.00004 0.00001 95 2S 0.00000 0.00000 -0.00002 0.00005 0.00002 96 2PX -0.00002 -0.00000 0.00002 0.00004 0.00007 97 2PY -0.00001 -0.00000 0.00001 -0.00001 0.00003 98 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 99 3S -0.00012 -0.00000 0.00035 -0.00086 -0.00039 100 3PX -0.00017 -0.00000 0.00012 0.00021 0.00043 101 3PY -0.00010 -0.00000 0.00006 -0.00004 0.00017 102 3PZ -0.00000 0.00002 0.00000 -0.00000 0.00000 103 4S -0.00058 -0.00000 0.00058 -0.00264 -0.00161 104 4PX -0.00065 -0.00000 0.00049 0.00062 0.00135 105 4PY -0.00051 -0.00000 0.00009 -0.00013 0.00037 106 4PZ -0.00000 0.00023 0.00000 -0.00000 0.00000 107 5S -0.00048 -0.00000 -0.00047 -0.00162 -0.00074 108 5PX 0.00056 -0.00000 0.00028 0.00006 0.00051 109 5PY 0.00025 0.00000 -0.00083 0.00003 0.00007 110 5PZ 0.00000 0.00103 -0.00000 -0.00000 0.00000 111 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 115 6D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 116 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 117 7D+1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 118 7D-1 0.00000 0.00001 -0.00000 -0.00000 0.00000 119 7D+2 -0.00002 0.00000 -0.00000 0.00002 -0.00000 120 7D-2 -0.00003 -0.00000 0.00001 0.00000 0.00000 121 7 H 1S 0.00007 0.00000 0.00018 0.00054 0.00027 122 2S 0.00082 0.00000 0.00047 0.00318 0.00111 123 3S 0.00102 0.00000 0.00135 0.00463 0.00054 124 4PX 0.00007 -0.00000 0.00003 0.00009 0.00004 125 4PY 0.00001 0.00000 -0.00000 0.00009 0.00001 126 4PZ 0.00000 0.00007 -0.00000 -0.00000 0.00000 127 8 H 1S 0.00001 -0.00001 -0.00011 0.00001 0.00008 128 2S 0.00014 -0.00025 -0.00047 0.00005 0.00041 129 3S 0.00090 -0.00097 -0.00070 0.00005 0.00073 130 4PX -0.00000 0.00000 0.00000 0.00001 -0.00000 131 4PY -0.00002 -0.00001 -0.00000 -0.00001 -0.00003 132 4PZ 0.00000 -0.00000 -0.00001 0.00000 0.00000 71 72 73 74 75 71 5PZ 0.00284 72 6D 0 0.00000 0.00010 73 6D+1 0.00000 0.00000 0.00001 74 6D-1 0.00000 -0.00000 -0.00000 0.00011 75 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00023 76 6D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 77 7D 0 0.00000 0.00006 0.00000 0.00000 -0.00000 78 7D+1 0.00000 0.00000 0.00002 -0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.00022 0.00000 80 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00019 81 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 82 4 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 83 2S 0.00000 -0.00000 0.00000 -0.00000 0.00000 84 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 85 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 86 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 87 4PZ 0.00003 0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.00017 0.00000 0.00000 -0.00000 -0.00000 89 2S -0.00076 0.00000 0.00000 -0.00000 -0.00000 90 3S -0.00107 0.00000 0.00000 -0.00000 0.00000 91 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 92 4PY -0.00002 -0.00000 0.00000 -0.00000 -0.00000 93 4PZ 0.00001 0.00000 0.00000 -0.00000 -0.00000 94 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00000 95 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 96 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 2PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 98 2PZ 0.00009 -0.00000 0.00000 -0.00000 -0.00000 99 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 3PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 102 3PZ 0.00060 -0.00000 0.00000 -0.00000 -0.00000 103 4S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 104 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 105 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 106 4PZ 0.00246 -0.00000 0.00000 -0.00000 -0.00000 107 5S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 108 5PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 109 5PY 0.00000 0.00000 -0.00000 0.00000 0.00000 110 5PZ 0.00217 0.00000 -0.00000 0.00000 -0.00000 111 6D 0 0.00000 0.00000 -0.00000 -0.00000 -0.00000 112 6D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 113 6D-1 0.00000 0.00000 -0.00000 0.00000 -0.00000 114 6D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 115 6D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 116 7D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 117 7D+1 0.00001 -0.00000 0.00000 0.00000 -0.00000 118 7D-1 0.00003 0.00000 -0.00000 0.00000 -0.00000 119 7D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 121 7 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 122 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 123 3S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 124 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 125 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 126 4PZ 0.00012 0.00000 -0.00000 0.00000 -0.00000 127 8 H 1S -0.00017 0.00000 0.00000 -0.00000 -0.00000 128 2S -0.00076 0.00000 0.00000 -0.00000 -0.00000 129 3S -0.00107 0.00000 0.00000 -0.00000 0.00000 130 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 131 4PY -0.00002 -0.00000 0.00000 -0.00000 -0.00000 132 4PZ 0.00001 0.00000 0.00000 -0.00000 -0.00000 76 77 78 79 80 76 6D-2 0.00019 77 7D 0 -0.00000 0.00023 78 7D+1 0.00000 -0.00000 0.00019 79 7D-1 0.00000 0.00000 -0.00000 0.00218 80 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00096 81 7D-2 0.00019 -0.00000 0.00000 0.00000 -0.00000 82 4 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 83 2S 0.00000 0.00002 0.00000 -0.00000 0.00003 84 3S -0.00000 0.00001 0.00000 0.00000 -0.00000 85 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 86 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00001 0.00000 88 5 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 89 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 90 3S -0.00000 0.00000 0.00000 -0.00003 -0.00000 91 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 92 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 93 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 94 6 O 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 95 2S -0.00000 0.00000 -0.00000 0.00000 0.00000 96 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 97 2PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 98 2PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 99 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 3PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 102 3PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 103 4S -0.00000 -0.00001 -0.00000 0.00000 0.00000 104 4PX -0.00000 0.00001 -0.00000 -0.00000 -0.00003 105 4PY -0.00000 0.00002 -0.00000 -0.00000 0.00002 106 4PZ -0.00000 -0.00000 0.00002 0.00000 -0.00000 107 5S -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 108 5PX 0.00000 0.00000 -0.00000 -0.00000 -0.00001 109 5PY -0.00000 0.00000 -0.00000 -0.00000 0.00002 110 5PZ -0.00000 0.00000 0.00001 0.00001 -0.00000 111 6D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 112 6D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 113 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 115 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 116 7D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 117 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 118 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 119 7D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 7D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 121 7 H 1S -0.00000 0.00000 0.00000 -0.00000 0.00000 122 2S -0.00000 0.00003 0.00000 -0.00000 0.00003 123 3S 0.00000 0.00001 0.00000 0.00000 -0.00002 124 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 125 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00001 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 3S -0.00000 0.00000 0.00000 -0.00003 -0.00000 130 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 132 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 81 82 83 84 85 81 7D-2 0.00115 82 4 H 1S 0.00001 0.08215 83 2S 0.00008 0.08536 0.17915 84 3S -0.00018 0.01679 0.05550 0.05004 85 4PX 0.00002 0.00000 0.00000 0.00000 0.00180 86 4PY 0.00002 0.00000 0.00000 0.00000 -0.00000 87 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 88 5 H 1S -0.00000 -0.00000 -0.00000 0.00010 -0.00000 89 2S -0.00000 -0.00000 -0.00001 0.00065 -0.00001 90 3S -0.00000 -0.00006 -0.00011 0.00083 -0.00003 91 4PX 0.00000 -0.00000 -0.00001 -0.00006 0.00000 92 4PY 0.00000 -0.00000 -0.00001 -0.00007 -0.00000 93 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 94 6 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 95 2S -0.00000 0.00000 -0.00000 0.00000 -0.00000 96 2PX 0.00000 0.00000 0.00000 0.00005 0.00000 97 2PY 0.00000 -0.00000 -0.00000 0.00000 -0.00000 98 2PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 99 3S -0.00000 0.00000 0.00000 -0.00008 0.00000 100 3PX 0.00000 0.00000 0.00000 0.00040 0.00000 101 3PY 0.00000 -0.00000 -0.00000 0.00001 -0.00000 102 3PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 103 4S -0.00002 -0.00000 0.00000 -0.00077 0.00000 104 4PX 0.00003 0.00001 0.00028 0.00221 0.00000 105 4PY 0.00000 -0.00000 -0.00000 0.00004 -0.00000 106 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 107 5S -0.00005 -0.00003 -0.00026 -0.00156 0.00000 108 5PX 0.00001 0.00026 0.00128 0.00228 0.00002 109 5PY -0.00003 0.00001 0.00006 0.00009 -0.00000 110 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 111 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 114 6D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 115 6D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 116 7D 0 0.00000 0.00000 0.00000 0.00001 0.00000 117 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 118 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 119 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 120 7D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 121 7 H 1S 0.00001 0.00000 0.00000 0.00005 -0.00000 122 2S 0.00008 0.00000 0.00001 0.00050 -0.00000 123 3S 0.00010 0.00005 0.00033 0.00166 0.00000 124 4PX 0.00001 0.00000 0.00000 0.00005 0.00000 125 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00000 -0.00000 -0.00000 0.00010 -0.00000 128 2S -0.00000 -0.00000 -0.00001 0.00065 -0.00001 129 3S -0.00000 -0.00006 -0.00011 0.00083 -0.00003 130 4PX 0.00000 -0.00000 -0.00001 -0.00006 0.00000 131 4PY 0.00000 -0.00000 -0.00001 -0.00007 -0.00000 132 4PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 86 87 88 89 90 86 4PY 0.00022 87 4PZ 0.00000 0.00022 88 5 H 1S -0.00000 0.00000 0.08236 89 2S -0.00001 0.00000 0.08385 0.17280 90 3S -0.00003 -0.00000 0.01612 0.05223 0.04289 91 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 92 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 94 6 O 1S 0.00000 0.00000 0.00000 0.00000 0.00003 95 2S 0.00000 0.00000 0.00000 0.00001 0.00006 96 2PX -0.00000 -0.00000 -0.00000 -0.00001 0.00000 97 2PY -0.00000 -0.00000 -0.00000 -0.00004 -0.00010 98 2PZ -0.00000 -0.00000 -0.00000 -0.00008 -0.00047 99 3S -0.00000 -0.00000 -0.00001 -0.00043 -0.00103 100 3PX -0.00000 -0.00000 -0.00001 -0.00008 -0.00002 101 3PY -0.00000 -0.00000 -0.00001 -0.00042 -0.00064 102 3PZ -0.00000 -0.00000 -0.00001 -0.00072 -0.00304 103 4S 0.00000 0.00000 -0.00044 -0.00272 -0.00339 104 4PX -0.00000 -0.00000 -0.00036 -0.00012 0.00028 105 4PY 0.00000 0.00000 -0.00038 -0.00203 -0.00174 106 4PZ 0.00000 -0.00000 -0.00089 -0.00463 -0.01065 107 5S 0.00000 0.00000 -0.00016 -0.00120 -0.00071 108 5PX -0.00000 -0.00000 0.00011 0.00058 0.00061 109 5PY 0.00001 0.00000 -0.00057 -0.00190 -0.00107 110 5PZ 0.00000 -0.00000 -0.00157 -0.00564 -0.00704 111 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 -0.00000 0.00000 0.00000 -0.00000 113 6D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 115 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 116 7D 0 -0.00000 0.00000 0.00000 0.00001 0.00000 117 7D+1 0.00000 0.00000 0.00002 0.00015 -0.00006 118 7D-1 0.00000 -0.00000 0.00001 0.00011 0.00008 119 7D+2 0.00000 0.00000 -0.00001 -0.00005 -0.00002 120 7D-2 -0.00000 -0.00000 0.00001 0.00010 0.00000 121 7 H 1S 0.00000 0.00000 0.00000 0.00001 0.00025 122 2S 0.00000 0.00000 0.00001 0.00030 0.00127 123 3S 0.00000 0.00000 0.00022 0.00104 0.00087 124 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 125 4PY -0.00000 0.00000 0.00000 0.00000 0.00004 126 4PZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00011 127 8 H 1S -0.00000 0.00000 -0.00001 -0.00079 -0.00310 128 2S -0.00001 0.00000 -0.00079 -0.00662 -0.01303 129 3S -0.00003 -0.00000 -0.00310 -0.01303 -0.01827 130 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 132 4PZ -0.00000 0.00000 0.00005 0.00035 -0.00012 91 92 93 94 95 91 4PX 0.00020 92 4PY -0.00000 0.00080 93 4PZ 0.00000 0.00000 0.00104 94 6 O 1S -0.00000 -0.00000 0.00000 0.63878 95 2S -0.00000 0.00000 0.00000 0.51179 0.52064 96 2PX 0.00000 0.00000 -0.00000 0.00000 0.00000 97 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 98 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 99 3S 0.00000 -0.00000 -0.00000 -0.04526 -0.08739 100 3PX 0.00006 0.00002 -0.00000 0.00000 0.00000 101 3PY 0.00001 -0.00000 -0.00000 0.00000 0.00000 102 3PZ -0.00000 -0.00001 -0.00000 0.00000 0.00000 103 4S -0.00003 -0.00004 -0.00006 -0.02119 -0.03496 104 4PX 0.00034 0.00012 -0.00002 0.00000 0.00000 105 4PY 0.00004 -0.00001 -0.00004 0.00000 0.00000 106 4PZ -0.00005 -0.00007 -0.00000 0.00000 0.00000 107 5S -0.00006 -0.00003 -0.00002 0.00042 0.00039 108 5PX 0.00001 -0.00002 0.00000 0.00000 0.00000 109 5PY -0.00003 0.00000 -0.00003 0.00000 0.00000 110 5PZ -0.00004 -0.00007 0.00005 0.00000 0.00000 111 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 114 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 115 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 116 7D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 117 7D+1 0.00000 0.00001 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 119 7D+2 0.00000 0.00001 -0.00000 -0.00000 -0.00000 120 7D-2 0.00000 -0.00000 0.00001 0.00000 0.00000 121 7 H 1S -0.00000 0.00000 0.00000 -0.00021 -0.00029 122 2S -0.00000 0.00000 0.00000 -0.00040 -0.00067 123 3S -0.00000 0.00000 0.00001 0.00008 0.00023 124 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 125 4PY -0.00000 0.00000 -0.00000 -0.00055 -0.00087 126 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 8 H 1S 0.00000 -0.00000 0.00005 0.00000 0.00000 128 2S 0.00000 -0.00000 0.00035 0.00000 0.00001 129 3S 0.00000 -0.00000 -0.00012 0.00003 0.00006 130 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 131 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 132 4PZ -0.00000 -0.00000 0.00007 0.00000 0.00000 96 97 98 99 100 96 2PX 0.12751 97 2PY 0.00000 0.13066 98 2PZ 0.00000 0.00000 0.17879 99 3S 0.00000 0.00000 0.00000 0.67171 100 3PX 0.11462 0.00000 0.00000 0.00000 0.27531 101 3PY 0.00000 0.11477 0.00000 0.00000 0.00000 102 3PZ 0.00000 0.00000 0.15917 0.00000 0.00000 103 4S 0.00000 0.00000 0.00000 0.42633 0.00000 104 4PX 0.02882 0.00000 0.00000 0.00000 0.13408 105 4PY 0.00000 0.02574 0.00000 0.00000 0.00000 106 4PZ 0.00000 0.00000 0.04731 0.00000 0.00000 107 5S 0.00000 0.00000 0.00000 -0.00009 0.00000 108 5PX 0.00061 0.00000 0.00000 0.00000 0.00360 109 5PY 0.00000 0.00059 0.00000 0.00000 0.00000 110 5PZ 0.00000 0.00000 0.00341 0.00000 0.00000 111 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 115 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 116 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 117 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 120 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 121 7 H 1S -0.00000 0.00669 0.00000 0.01111 -0.00001 122 2S -0.00002 0.01200 0.00000 0.00942 -0.00010 123 3S -0.00000 0.00101 0.00000 -0.00563 -0.00000 124 4PX 0.00067 0.00001 0.00000 -0.00005 0.00348 125 4PY -0.00001 0.00367 0.00000 0.00983 -0.00003 126 4PZ 0.00000 0.00000 0.00121 0.00000 0.00000 127 8 H 1S -0.00000 -0.00000 -0.00000 -0.00001 -0.00001 128 2S -0.00001 -0.00004 -0.00008 -0.00043 -0.00008 129 3S 0.00000 -0.00010 -0.00047 -0.00103 -0.00002 130 4PX 0.00000 0.00000 -0.00000 0.00000 0.00006 131 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00002 132 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 102 103 104 105 101 3PY 0.26920 102 3PZ 0.00000 0.37833 103 4S 0.00000 0.00000 0.51291 104 4PX 0.00000 0.00000 0.00000 0.16847 105 4PY 0.11703 0.00000 0.00000 0.00000 0.13206 106 4PZ 0.00000 0.21810 0.00000 0.00000 0.00000 107 5S 0.00000 0.00000 0.01817 0.00000 0.00000 108 5PX 0.00000 0.00000 0.00000 0.00911 0.00000 109 5PY 0.00347 0.00000 0.00000 0.00000 0.00795 110 5PZ 0.00000 0.02046 0.00000 0.00000 0.00000 111 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 113 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 115 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 116 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 117 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 120 7D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 121 7 H 1S 0.04317 0.00000 0.00625 -0.00008 0.04179 122 2S 0.05977 0.00000 -0.01789 -0.00029 0.07552 123 3S 0.00594 0.00000 -0.01874 -0.00004 0.01190 124 4PX 0.00004 0.00000 -0.00006 0.00411 0.00002 125 4PY 0.01077 0.00000 0.00406 -0.00003 0.00169 126 4PZ 0.00000 0.00623 0.00000 0.00000 0.00000 127 8 H 1S -0.00001 -0.00001 -0.00044 -0.00036 -0.00038 128 2S -0.00042 -0.00072 -0.00272 -0.00012 -0.00203 129 3S -0.00064 -0.00304 -0.00339 0.00028 -0.00174 130 4PX 0.00001 -0.00000 -0.00003 0.00034 0.00004 131 4PY -0.00000 -0.00001 -0.00004 0.00012 -0.00001 132 4PZ -0.00000 -0.00000 -0.00006 -0.00002 -0.00004 106 107 108 109 110 106 4PZ 0.32228 107 5S 0.00000 0.01654 108 5PX 0.00000 0.00000 0.00221 109 5PY 0.00000 0.00000 0.00000 0.00334 110 5PZ 0.05703 0.00000 0.00000 0.00000 0.02376 111 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 112 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 113 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 114 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 115 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 116 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 117 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 119 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 120 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 121 7 H 1S 0.00000 -0.00505 -0.00001 0.00163 0.00000 122 2S 0.00000 -0.01580 -0.00006 0.00489 0.00000 123 3S 0.00000 -0.00797 -0.00003 0.00084 0.00000 124 4PX 0.00000 -0.00001 0.00020 0.00000 0.00000 125 4PY 0.00000 -0.00044 0.00000 -0.00013 -0.00000 126 4PZ 0.00862 -0.00000 0.00000 -0.00000 0.00131 127 8 H 1S -0.00089 -0.00016 0.00011 -0.00057 -0.00157 128 2S -0.00463 -0.00120 0.00058 -0.00190 -0.00564 129 3S -0.01065 -0.00071 0.00061 -0.00107 -0.00704 130 4PX -0.00005 -0.00006 0.00001 -0.00003 -0.00004 131 4PY -0.00007 -0.00003 -0.00002 0.00000 -0.00007 132 4PZ -0.00000 -0.00002 0.00000 -0.00003 0.00005 111 112 113 114 115 111 6D 0 0.00007 112 6D+1 0.00000 0.00004 113 6D-1 -0.00000 0.00000 0.00001 114 6D+2 -0.00000 -0.00000 0.00000 0.00023 115 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00004 116 7D 0 0.00007 0.00000 0.00000 0.00000 0.00000 117 7D+1 0.00000 0.00009 0.00000 -0.00000 0.00000 118 7D-1 0.00000 0.00000 0.00004 0.00000 0.00000 119 7D+2 0.00000 0.00000 0.00000 0.00024 -0.00000 120 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00009 121 7 H 1S 0.00008 -0.00000 0.00000 0.00029 -0.00000 122 2S 0.00005 -0.00000 0.00000 0.00017 -0.00000 123 3S 0.00000 -0.00000 0.00000 0.00001 -0.00000 124 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 125 4PY 0.00002 -0.00000 0.00000 0.00006 -0.00000 126 4PZ 0.00000 -0.00000 0.00002 -0.00000 0.00000 127 8 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 128 2S 0.00000 0.00000 0.00000 -0.00000 0.00000 129 3S 0.00000 -0.00000 0.00000 -0.00000 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 132 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 116 117 118 119 120 116 7D 0 0.00037 117 7D+1 0.00000 0.00103 118 7D-1 0.00000 0.00000 0.00045 119 7D+2 0.00000 0.00000 0.00000 0.00148 120 7D-2 0.00000 0.00000 0.00000 0.00000 0.00118 121 7 H 1S 0.00055 0.00000 0.00000 0.00176 -0.00010 122 2S 0.00032 0.00000 0.00000 0.00122 -0.00008 123 3S 0.00001 0.00000 0.00000 0.00007 -0.00000 124 4PX 0.00000 0.00000 -0.00000 -0.00002 0.00025 125 4PY 0.00003 0.00000 0.00000 0.00004 -0.00001 126 4PZ 0.00000 -0.00001 0.00040 -0.00000 0.00000 127 8 H 1S 0.00000 0.00002 0.00001 -0.00001 0.00001 128 2S 0.00001 0.00015 0.00011 -0.00005 0.00010 129 3S 0.00000 -0.00006 0.00008 -0.00002 0.00000 130 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 131 4PY 0.00000 0.00001 0.00000 0.00001 -0.00000 132 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00001 121 122 123 124 125 121 7 H 1S 0.07946 122 2S 0.06822 0.12392 123 3S 0.00964 0.02853 0.01544 124 4PX 0.00000 0.00000 0.00000 0.00080 125 4PY 0.00000 0.00000 0.00000 -0.00000 0.00337 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S 0.00000 0.00001 0.00022 -0.00000 0.00000 128 2S 0.00001 0.00030 0.00104 -0.00000 0.00000 129 3S 0.00025 0.00127 0.00087 -0.00000 0.00004 130 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00001 -0.00000 -0.00000 126 127 128 129 130 126 4PZ 0.00167 127 8 H 1S -0.00000 0.08236 128 2S -0.00001 0.08385 0.17280 129 3S -0.00011 0.01612 0.05223 0.04289 130 4PX -0.00000 0.00000 0.00000 0.00000 0.00020 131 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 132 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 131 132 131 4PY 0.00080 132 4PZ 0.00000 0.00104 Gross orbital populations: 1 1 1 C 1S 1.10332 2 2S 0.88532 3 2PX 0.18445 4 2PY 0.22621 5 2PZ 0.22954 6 3S 0.75913 7 3PX 0.42807 8 3PY 0.51662 9 3PZ 0.51060 10 4S 0.32458 11 4PX 0.10645 12 4PY 0.25301 13 4PZ 0.27261 14 5S 0.06434 15 5PX 0.01454 16 5PY 0.01089 17 5PZ 0.01719 18 6D 0 0.00360 19 6D+1 0.00414 20 6D-1 0.00375 21 6D+2 0.00497 22 6D-2 0.00602 23 7D 0 0.00642 24 7D+1 0.04471 25 7D-1 0.01119 26 7D+2 0.02397 27 7D-2 0.03317 28 2 C 1S 1.10364 29 2S 0.88485 30 2PX 0.23933 31 2PY 0.24889 32 2PZ 0.13745 33 3S 0.79981 34 3PX 0.51900 35 3PY 0.48946 36 3PZ 0.32887 37 4S 0.34518 38 4PX 0.20294 39 4PY 0.05528 40 4PZ 0.21261 41 5S -0.01452 42 5PX 0.01100 43 5PY 0.01141 44 5PZ 0.01265 45 6D 0 0.00260 46 6D+1 0.00077 47 6D-1 0.00544 48 6D+2 0.01176 49 6D-2 0.01266 50 7D 0 0.00137 51 7D+1 0.00404 52 7D-1 0.03678 53 7D+2 0.04922 54 7D-2 0.05611 55 3 O 1S 1.08396 56 2S 0.90910 57 2PX 0.37942 58 2PY 0.32469 59 2PZ 0.26310 60 3S 1.02158 61 3PX 0.76317 62 3PY 0.67513 63 3PZ 0.56377 64 4S 0.87920 65 4PX 0.55804 66 4PY 0.36037 67 4PZ 0.47130 68 5S 0.03541 69 5PX 0.03407 70 5PY -0.00078 71 5PZ 0.02088 72 6D 0 0.00050 73 6D+1 0.00008 74 6D-1 0.00068 75 6D+2 0.00119 76 6D-2 0.00100 77 7D 0 0.00173 78 7D+1 0.00132 79 7D-1 0.01237 80 7D+2 0.00696 81 7D-2 0.00679 82 4 H 1S 0.27690 83 2S 0.51299 84 3S 0.09173 85 4PX 0.01788 86 4PY 0.00326 87 4PZ 0.00307 88 5 H 1S 0.27671 89 2S 0.49928 90 3S 0.07445 91 4PX 0.00300 92 4PY 0.00901 93 4PZ 0.01170 94 6 O 1S 1.08389 95 2S 0.90916 96 2PX 0.28994 97 2PY 0.29727 98 2PZ 0.39138 99 3S 0.99595 100 3PX 0.63347 101 3PY 0.63501 102 3PZ 0.78870 103 4S 0.83805 104 4PX 0.44164 105 4PY 0.41007 106 4PZ 0.63784 107 5S -0.02642 108 5PX 0.01057 109 5PY -0.00339 110 5PZ 0.06487 111 6D 0 0.00041 112 6D+1 0.00022 113 6D-1 0.00008 114 6D+2 0.00137 115 6D-2 0.00023 116 7D 0 0.00304 117 7D+1 0.00479 118 7D-1 0.00149 119 7D+2 0.01174 120 7D-2 0.00424 121 7 H 1S 0.26345 122 2S 0.34192 123 3S 0.05862 124 4PX 0.01194 125 4PY 0.03226 126 4PZ 0.01963 127 8 H 1S 0.27671 128 2S 0.49928 129 3S 0.07445 130 4PX 0.00300 131 4PY 0.00901 132 4PZ 0.01170 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 4.765335 0.349760 -0.084061 -0.061811 0.412459 0.239599 2 C 0.349760 4.772336 0.403374 0.387215 -0.034999 -0.024485 3 O -0.084061 0.403374 8.095608 -0.057721 -0.002531 -0.013743 4 H -0.061811 0.387215 -0.057721 0.628867 0.001147 0.004319 5 H 0.412459 -0.034999 -0.002531 0.001147 0.604496 -0.052230 6 O 0.239599 -0.024485 -0.013743 0.004319 -0.052230 8.046563 7 H 0.015062 -0.049588 0.036627 0.002655 0.003911 0.277821 8 H 0.412459 -0.034999 -0.002531 0.001147 -0.058106 -0.052230 7 8 1 C 0.015062 0.412459 2 C -0.049588 -0.034999 3 O 0.036627 -0.002531 4 H 0.002655 0.001147 5 H 0.003911 -0.058106 6 O 0.277821 -0.052230 7 H 0.437430 0.003911 8 H 0.003911 0.604496 Mulliken charges: 1 1 C -0.048803 2 C 0.231387 3 O -0.375024 4 H 0.094181 5 H 0.125852 6 O -0.425615 7 H 0.272170 8 H 0.125852 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.202901 2 C 0.325568 3 O -0.375024 6 O -0.153445 Electronic spatial extent (au): = 262.4126 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= -1.9963 Y= 1.5296 Z= -0.0000 Tot= 2.5149 Quadrupole moment (field-independent basis, Debye-Ang): XX= -24.6226 YY= -26.6498 ZZ= -23.5117 XY= -4.1393 XZ= -0.0000 YZ= -0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.3055 YY= -1.7217 ZZ= 1.4163 XY= -4.1393 XZ= -0.0000 YZ= -0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -4.1317 YYY= 5.4245 ZZZ= -0.0000 XYY= 2.6903 XXY= -5.5735 XXZ= -0.0000 XZZ= -0.1137 YZZ= -0.1308 YYZ= 0.0000 XYZ= -0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -143.8906 YYYY= -155.6384 ZZZZ= -28.8522 XXXY= -34.4014 XXXZ= 0.0000 YYYX= -30.8576 YYYZ= -0.0000 ZZZX= 0.0000 ZZZY= -0.0000 XXYY= -52.6444 XXZZ= -30.7771 YYZZ= -27.6335 XXYZ= 0.0000 YYXZ= -0.0000 ZZXY= -9.2484 N-N= 1.195030968456D+02 E-N=-7.770654536253D+02 KE= 2.283195497013D+02 Symmetry A' KE= 2.178892646555D+02 Symmetry A" KE= 1.043028504573D+01 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.154073 29.128988 2 O -19.138202 29.130136 3 O -10.285768 15.955808 4 O -10.246058 15.957919 5 O -1.089603 2.633683 6 O -1.039763 2.664482 7 O -0.753897 1.688925 8 O -0.609245 1.752416 9 O -0.540646 1.542032 10 O -0.501858 1.989746 11 O -0.493232 1.169686 12 O -0.447746 1.990942 13 O -0.404099 1.885886 14 O -0.378304 2.351051 15 O -0.299574 2.159570 16 O -0.293793 2.158504 17 V -0.056466 1.791830 18 V -0.000881 0.346545 19 V 0.011372 0.527057 20 V 0.031689 0.320980 21 V 0.037767 0.279122 22 V 0.069758 0.372788 23 V 0.075864 0.271779 24 V 0.086297 0.278989 25 V 0.112122 0.751173 26 V 0.137407 0.287526 27 V 0.149255 0.799409 28 V 0.165167 1.265109 29 V 0.168861 0.989374 30 V 0.201942 0.944159 31 V 0.218720 0.726249 32 V 0.221897 0.883938 33 V 0.225695 0.739138 34 V 0.248494 0.967661 35 V 0.255134 0.600761 36 V 0.272620 1.170099 37 V 0.290368 0.783233 38 V 0.308161 0.789388 39 V 0.342633 1.033360 40 V 0.405279 1.300374 41 V 0.434232 1.092381 42 V 0.461581 1.683145 43 V 0.476009 1.618613 44 V 0.508496 1.421523 45 V 0.519612 1.813448 46 V 0.552370 1.787085 47 V 0.582671 1.625748 48 V 0.586218 1.685956 49 V 0.620913 2.057461 50 V 0.638509 1.352888 51 V 0.671166 1.578870 52 V 0.741055 1.372824 53 V 0.765061 2.366097 54 V 0.795273 1.602077 55 V 0.883036 1.891843 56 V 0.977856 1.938610 57 V 0.978734 1.617636 58 V 1.036717 2.218158 59 V 1.039796 1.786546 60 V 1.049379 2.628737 61 V 1.072485 2.169440 62 V 1.085275 2.451914 63 V 1.113191 2.066683 64 V 1.117847 2.589668 65 V 1.199219 2.734112 66 V 1.257883 2.312830 67 V 1.336566 2.169810 68 V 1.337639 2.770289 69 V 1.397326 2.819614 70 V 1.472214 3.863159 71 V 1.507130 2.322471 72 V 1.518315 2.253488 73 V 1.526486 3.683997 74 V 1.599438 2.650071 75 V 1.631059 2.688661 76 V 1.690877 2.549543 77 V 1.742280 2.693567 78 V 1.863197 2.855706 79 V 1.882515 2.807608 80 V 1.974792 3.113078 81 V 2.022382 3.585715 82 V 2.037513 3.056579 83 V 2.122180 3.390461 84 V 2.181546 3.624833 85 V 2.256879 3.814701 86 V 2.272248 3.821631 87 V 2.287546 4.054845 88 V 2.385628 3.392935 89 V 2.498628 3.884572 90 V 2.521471 3.919884 91 V 2.542629 4.024856 92 V 2.648889 4.062153 93 V 2.689225 4.026934 94 V 2.732160 4.289342 95 V 2.802558 4.506308 96 V 2.822397 5.947158 97 V 2.953487 4.872030 98 V 3.042679 5.828325 99 V 3.135595 5.587896 100 V 3.294243 5.655585 101 V 3.301430 5.119770 102 V 3.321328 5.359544 103 V 3.361984 6.182528 104 V 3.435977 6.057261 105 V 3.439911 5.204821 106 V 3.473818 6.096517 107 V 3.590184 5.666511 108 V 3.631996 5.971706 109 V 3.842429 6.768437 110 V 3.924281 6.635049 111 V 4.154517 6.231436 112 V 4.361943 7.158493 113 V 4.968332 11.754075 114 V 5.023610 11.805168 115 V 5.106556 11.791562 116 V 5.503875 11.945848 117 V 5.757108 12.070354 118 V 5.962682 12.276278 119 V 6.759627 10.193236 120 V 6.806855 10.245729 121 V 6.862869 10.278167 122 V 6.952691 10.394191 123 V 6.986854 10.407681 124 V 7.051528 10.464934 125 V 7.137255 10.558502 126 V 7.167272 10.624268 127 V 7.181991 10.634845 128 V 7.325654 10.801662 129 V 23.912269 60.341993 130 V 24.008596 60.445902 131 V 49.903527 123.705989 132 V 49.934980 123.700416 Total kinetic energy from orbitals= 2.283195497013D+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: C2H4O2 syn,syn hydroxyacetal Cs Storage needed: 52920 in NPA, 70183 in NBO (********** available) GSVD: LWork= 5880 too small for GESVD, short by 16542 words or 16542 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99926 -10.12656 2 C 1 S Val( 2S) 1.02996 -0.28248 3 C 1 S Ryd( 4S) 0.00440 0.81770 4 C 1 S Ryd( 3S) 0.00043 0.76102 5 C 1 S Ryd( 5S) 0.00001 23.23238 6 C 1 px Val( 2p) 0.78763 -0.10170 7 C 1 px Ryd( 4p) 0.00669 0.87938 8 C 1 px Ryd( 3p) 0.00061 0.28378 9 C 1 px Ryd( 5p) 0.00014 2.68508 10 C 1 py Val( 2p) 1.10344 -0.13524 11 C 1 py Ryd( 4p) 0.00166 0.81629 12 C 1 py Ryd( 3p) 0.00018 0.27229 13 C 1 py Ryd( 5p) 0.00013 2.48666 14 C 1 pz Val( 2p) 1.17803 -0.13312 15 C 1 pz Ryd( 4p) 0.00063 0.80831 16 C 1 pz Ryd( 3p) 0.00005 0.23397 17 C 1 pz Ryd( 5p) 0.00008 2.72498 18 C 1 dxy Ryd( 3d) 0.00193 1.91847 19 C 1 dxy Ryd( 4d) 0.00032 3.04585 20 C 1 dxz Ryd( 3d) 0.00231 1.50233 21 C 1 dxz Ryd( 4d) 0.00013 2.67537 22 C 1 dyz Ryd( 3d) 0.00085 1.69389 23 C 1 dyz Ryd( 4d) 0.00012 2.93090 24 C 1 dx2y2 Ryd( 3d) 0.00078 1.83839 25 C 1 dx2y2 Ryd( 4d) 0.00033 3.10709 26 C 1 dz2 Ryd( 3d) 0.00112 1.75955 27 C 1 dz2 Ryd( 4d) 0.00011 3.02921 28 C 2 S Cor( 1S) 1.99954 -10.16670 29 C 2 S Val( 2S) 0.94906 -0.24731 30 C 2 S Ryd( 3S) 0.00999 0.64716 31 C 2 S Ryd( 4S) 0.00026 1.60967 32 C 2 S Ryd( 5S) 0.00002 21.77448 33 C 2 px Val( 2p) 1.06909 -0.09905 34 C 2 px Ryd( 4p) 0.00172 1.21630 35 C 2 px Ryd( 3p) 0.00018 0.50892 36 C 2 px Ryd( 5p) 0.00011 2.18606 37 C 2 py Val( 2p) 0.83617 -0.04597 38 C 2 py Ryd( 4p) 0.01280 1.03142 39 C 2 py Ryd( 3p) 0.00092 0.46034 40 C 2 py Ryd( 5p) 0.00019 2.20645 41 C 2 pz Val( 2p) 0.68909 -0.15213 42 C 2 pz Ryd( 4p) 0.00079 0.73583 43 C 2 pz Ryd( 3p) 0.00031 0.43836 44 C 2 pz Ryd( 5p) 0.00009 2.16886 45 C 2 dxy Ryd( 4d) 0.00148 3.28636 46 C 2 dxy Ryd( 3d) 0.00004 2.82394 47 C 2 dxz Ryd( 4d) 0.00016 2.63579 48 C 2 dxz Ryd( 3d) 0.00009 2.02588 49 C 2 dyz Ryd( 4d) 0.00116 2.83612 50 C 2 dyz Ryd( 3d) 0.00015 2.18250 51 C 2 dx2y2 Ryd( 4d) 0.00163 3.26295 52 C 2 dx2y2 Ryd( 3d) 0.00005 2.73315 53 C 2 dz2 Ryd( 4d) 0.00025 2.94152 54 C 2 dz2 Ryd( 3d) 0.00007 2.41264 55 O 3 S Cor( 1S) 1.99975 -18.89184 56 O 3 S Val( 2S) 1.70580 -0.93332 57 O 3 S Ryd( 3S) 0.00353 0.98963 58 O 3 S Ryd( 4S) 0.00021 1.22323 59 O 3 S Ryd( 5S) 0.00000 49.58845 60 O 3 px Val( 2p) 1.83168 -0.30699 61 O 3 px Ryd( 3p) 0.00486 0.61490 62 O 3 px Ryd( 4p) 0.00009 1.28241 63 O 3 px Ryd( 5p) 0.00002 4.70130 64 O 3 py Val( 2p) 1.61894 -0.33564 65 O 3 py Ryd( 3p) 0.00164 0.61434 66 O 3 py Ryd( 4p) 0.00013 1.56103 67 O 3 py Ryd( 5p) 0.00008 4.92029 68 O 3 pz Val( 2p) 1.36488 -0.28646 69 O 3 pz Ryd( 3p) 0.00184 0.49847 70 O 3 pz Ryd( 4p) 0.00005 1.21147 71 O 3 pz Ryd( 5p) 0.00002 4.56428 72 O 3 dxy Ryd( 3d) 0.00593 1.81746 73 O 3 dxy Ryd( 4d) 0.00006 6.93617 74 O 3 dxz Ryd( 3d) 0.00056 1.48614 75 O 3 dxz Ryd( 4d) 0.00001 6.70501 76 O 3 dyz Ryd( 3d) 0.00505 1.52715 77 O 3 dyz Ryd( 4d) 0.00002 6.80465 78 O 3 dx2y2 Ryd( 3d) 0.00603 1.90485 79 O 3 dx2y2 Ryd( 4d) 0.00006 6.94947 80 O 3 dz2 Ryd( 3d) 0.00226 1.68429 81 O 3 dz2 Ryd( 4d) 0.00001 6.82053 82 H 4 S Val( 1S) 0.87770 -0.05207 83 H 4 S Ryd( 2S) 0.00205 0.71519 84 H 4 S Ryd( 3S) 0.00009 2.07288 85 H 4 px Ryd( 2p) 0.00073 2.71845 86 H 4 py Ryd( 2p) 0.00011 2.11672 87 H 4 pz Ryd( 2p) 0.00007 1.68478 88 H 5 S Val( 1S) 0.80626 -0.02278 89 H 5 S Ryd( 2S) 0.00146 0.56025 90 H 5 S Ryd( 3S) 0.00009 2.18000 91 H 5 px Ryd( 2p) 0.00011 2.14118 92 H 5 py Ryd( 2p) 0.00025 2.27984 93 H 5 pz Ryd( 2p) 0.00025 2.47469 94 O 6 S Cor( 1S) 1.99979 -18.93468 95 O 6 S Val( 2S) 1.67462 -0.90870 96 O 6 S Ryd( 3S) 0.00067 0.91413 97 O 6 S Ryd( 4S) 0.00009 2.57388 98 O 6 S Ryd( 5S) 0.00000 49.29601 99 O 6 px Val( 2p) 1.53516 -0.31201 100 O 6 px Ryd( 3p) 0.00136 0.47309 101 O 6 px Ryd( 4p) 0.00035 1.10596 102 O 6 px Ryd( 5p) 0.00004 4.95072 103 O 6 py Val( 2p) 1.55759 -0.29573 104 O 6 py Ryd( 3p) 0.00224 0.61664 105 O 6 py Ryd( 4p) 0.00009 1.19102 106 O 6 py Ryd( 5p) 0.00002 5.12118 107 O 6 pz Val( 2p) 1.94438 -0.31203 108 O 6 pz Ryd( 3p) 0.00307 0.45266 109 O 6 pz Ryd( 4p) 0.00013 1.09890 110 O 6 pz Ryd( 5p) 0.00001 4.75614 111 O 6 dxy Ryd( 3d) 0.00264 1.75892 112 O 6 dxy Ryd( 4d) 0.00002 6.97311 113 O 6 dxz Ryd( 3d) 0.00195 1.71810 114 O 6 dxz Ryd( 4d) 0.00003 6.90420 115 O 6 dyz Ryd( 3d) 0.00166 1.48845 116 O 6 dyz Ryd( 4d) 0.00001 6.76624 117 O 6 dx2y2 Ryd( 3d) 0.00558 2.08100 118 O 6 dx2y2 Ryd( 4d) 0.00004 7.05483 119 O 6 dz2 Ryd( 3d) 0.00351 1.71489 120 O 6 dz2 Ryd( 4d) 0.00001 6.84640 121 H 7 S Val( 1S) 0.51343 0.11321 122 H 7 S Ryd( 2S) 0.00190 1.34201 123 H 7 S Ryd( 3S) 0.00034 1.55476 124 H 7 px Ryd( 2p) 0.00035 2.13473 125 H 7 py Ryd( 2p) 0.00031 2.91736 126 H 7 pz Ryd( 2p) 0.00082 1.92523 127 H 8 S Val( 1S) 0.80626 -0.02278 128 H 8 S Ryd( 2S) 0.00146 0.56025 129 H 8 S Ryd( 3S) 0.00009 2.18000 130 H 8 px Ryd( 2p) 0.00011 2.14118 131 H 8 py Ryd( 2p) 0.00025 2.27984 132 H 8 pz Ryd( 2p) 0.00025 2.47469 WARNING: Population inversion found on atom C 1 Population inversion found on atom C 2 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.12131 1.99926 4.09906 0.02299 6.12131 C 2 0.42460 1.99954 3.54341 0.03245 5.57540 O 3 -0.55350 1.99975 6.52130 0.03244 8.55350 H 4 0.11926 0.00000 0.87770 0.00304 0.88074 H 5 0.19158 0.00000 0.80626 0.00216 0.80842 O 6 -0.73506 1.99979 6.71175 0.02352 8.73506 H 7 0.48286 0.00000 0.51343 0.00371 0.51714 H 8 0.19158 0.00000 0.80626 0.00216 0.80842 ======================================================================= * Total * -0.00000 7.99834 23.87917 0.12249 32.00000 Natural Population -------------------------------------------------------- Core 7.99834 ( 99.9793% of 8) Valence 23.87917 ( 99.4966% of 24) Natural Minimal Basis 31.87751 ( 99.6172% of 32) Natural Rydberg Basis 0.12249 ( 0.3828% of 32) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.03)2p( 3.07)3d( 0.01)4p( 0.01) C 2 [core]2S( 0.95)2p( 2.59)3S( 0.01)4p( 0.02) O 3 [core]2S( 1.71)2p( 4.82)3p( 0.01)3d( 0.02) H 4 1S( 0.88) H 5 1S( 0.81) O 6 [core]2S( 1.67)2p( 5.04)3p( 0.01)3d( 0.02) H 7 1S( 0.51) H 8 1S( 0.81) 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 31.22703 0.77297 4 9 0 3 2 1 0.07 2(2) 1.90 31.22703 0.77297 4 9 0 3 2 1 0.07 3(1) 1.80 31.66402 0.33598 4 8 0 4 0 0 0.07 ----------------------------------------------------------------------------- Structure accepted: No low occupancy Lewis orbitals -------------------------------------------------------- Core 7.99834 ( 99.979% of 8) Valence Lewis 23.66569 ( 98.607% of 24) ================== ============================ Total Lewis 31.66402 ( 98.950% of 32) ----------------------------------------------------- Valence non-Lewis 0.28327 ( 0.885% of 32) Rydberg non-Lewis 0.05271 ( 0.165% of 32) ================== ============================ Total non-Lewis 0.33598 ( 1.050% of 32) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.99152) BD ( 1) C 1 - C 2 ( 51.23%) 0.7157* C 1 s( 28.03%)p 2.56( 71.84%)d 0.00( 0.13%) -0.0002 -0.5294 0.0064 -0.0047 0.0002 0.5022 -0.0176 -0.0095 -0.0052 0.6824 0.0078 -0.0044 0.0010 0.0000 -0.0000 -0.0000 0.0000 -0.0320 0.0007 0.0000 -0.0000 -0.0000 0.0000 0.0102 0.0006 0.0130 0.0021 ( 48.77%) 0.6984* C 2 s( 36.30%)p 1.75( 63.66%)d 0.00( 0.04%) -0.0001 -0.6024 -0.0020 -0.0047 0.0000 -0.5097 0.0096 -0.0043 0.0003 -0.6134 -0.0125 -0.0158 0.0007 0.0000 0.0000 0.0000 0.0000 -0.0188 0.0032 0.0000 0.0000 0.0000 0.0000 0.0002 -0.0026 0.0073 0.0005 2. (1.96131) BD ( 1) C 1 - H 5 ( 59.73%) 0.7729* C 1 s( 24.14%)p 3.14( 75.74%)d 0.01( 0.12%) -0.0001 0.4908 0.0215 -0.0021 0.0004 -0.1453 -0.0122 0.0045 -0.0012 0.4867 0.0062 0.0043 0.0002 0.7063 0.0151 0.0030 0.0029 -0.0048 -0.0015 -0.0221 0.0068 0.0157 0.0071 -0.0096 0.0007 0.0162 0.0029 ( 40.27%) 0.6346* H 5 s( 99.96%)p 0.00( 0.04%) 0.9998 0.0041 -0.0002 0.0048 -0.0113 -0.0143 3. (1.99628) BD ( 1) C 1 - O 6 ( 34.53%) 0.5877* C 1 s( 24.00%)p 3.16( 75.89%)d 0.00( 0.10%) -0.0000 0.4863 -0.0595 -0.0054 -0.0011 0.8355 -0.0603 -0.0039 -0.0033 -0.2392 -0.0069 0.0031 0.0011 0.0000 -0.0000 -0.0000 0.0000 -0.0147 -0.0077 0.0000 -0.0000 -0.0000 0.0000 0.0115 0.0167 -0.0179 -0.0062 ( 65.47%) 0.8091* O 6 s( 29.69%)p 2.36( 69.98%)d 0.01( 0.33%) 0.0000 0.5447 0.0156 -0.0005 0.0000 -0.8044 0.0078 0.0140 -0.0001 0.2285 -0.0151 0.0038 0.0015 0.0000 0.0000 0.0000 0.0000 -0.0056 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0451 0.0016 -0.0352 0.0011 4. (1.96131) BD ( 1) C 1 - H 8 ( 59.73%) 0.7729* C 1 s( 24.14%)p 3.14( 75.74%)d 0.01( 0.12%) -0.0001 0.4908 0.0215 -0.0021 0.0004 -0.1453 -0.0122 0.0045 -0.0012 0.4867 0.0062 0.0043 0.0002 -0.7063 -0.0151 -0.0030 -0.0029 -0.0048 -0.0015 0.0221 -0.0068 -0.0157 -0.0071 -0.0096 0.0007 0.0162 0.0029 ( 40.27%) 0.6346* H 8 s( 99.96%)p 0.00( 0.04%) 0.9998 0.0041 -0.0002 0.0048 -0.0113 0.0143 5. (1.99786) BD ( 1) C 2 - O 3 ( 34.42%) 0.5867* C 2 s( 32.27%)p 2.09( 67.60%)d 0.00( 0.13%) -0.0000 -0.5629 0.0763 0.0009 0.0024 -0.2679 -0.0053 -0.0041 -0.0001 0.7731 0.0800 -0.0008 0.0036 0.0000 0.0000 0.0000 0.0000 0.0210 -0.0029 0.0000 0.0000 0.0000 0.0000 0.0235 -0.0045 0.0154 -0.0043 ( 65.58%) 0.8098* O 3 s( 41.45%)p 1.40( 58.00%)d 0.01( 0.54%) -0.0000 -0.6432 0.0285 0.0039 0.0002 0.2694 -0.0099 0.0018 -0.0009 -0.7122 0.0129 -0.0006 0.0015 0.0000 0.0000 0.0000 0.0000 0.0406 0.0023 0.0000 0.0000 0.0000 0.0000 0.0500 0.0023 0.0355 0.0016 6. (1.99220) BD ( 2) C 2 - O 3 ( 32.32%) 0.5685* C 2 s( 0.00%)p 1.00( 99.85%)d 0.00( 0.15%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9987 -0.0285 -0.0144 -0.0089 0.0000 0.0000 0.0121 -0.0010 -0.0365 -0.0067 0.0000 0.0000 0.0000 0.0000 ( 67.68%) 0.8227* O 3 s( 0.00%)p 1.00( 99.61%)d 0.00( 0.39%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9979 -0.0147 0.0007 -0.0035 0.0000 0.0000 -0.0187 -0.0003 0.0595 0.0004 0.0000 0.0000 0.0000 0.0000 7. (1.98630) BD ( 1) C 2 - H 4 ( 57.61%) 0.7590* C 2 s( 31.90%)p 2.13( 68.05%)d 0.00( 0.06%) 0.0001 -0.5632 -0.0416 0.0042 -0.0012 0.8150 -0.0215 0.0003 0.0027 -0.1248 0.0134 -0.0017 0.0046 0.0000 0.0000 0.0000 0.0000 0.0066 -0.0026 0.0000 0.0000 0.0000 0.0000 -0.0217 0.0032 0.0045 -0.0039 ( 42.39%) 0.6510* H 4 s( 99.93%)p 0.00( 0.07%) -0.9996 -0.0094 -0.0000 -0.0260 0.0053 0.0000 8. (1.98865) BD ( 1) O 6 - H 7 ( 74.86%) 0.8652* O 6 s( 21.92%)p 3.55( 77.74%)d 0.02( 0.34%) 0.0001 -0.4682 -0.0036 -0.0046 0.0002 -0.0658 0.0222 -0.0067 -0.0027 0.8785 -0.0283 -0.0003 -0.0011 0.0000 0.0000 0.0000 0.0000 -0.0232 0.0006 0.0000 0.0000 0.0000 0.0000 0.0425 0.0034 0.0326 -0.0008 ( 25.14%) 0.5014* H 7 s( 99.94%)p 0.00( 0.06%) -0.9997 -0.0094 0.0005 -0.0067 -0.0230 0.0000 9. (1.99926) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 -0.0000 0.0000 0.0001 -0.0000 -0.0000 -0.0000 0.0002 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 10. (1.99954) CR ( 1) C 2 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 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 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. (1.99975) CR ( 1) O 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0003 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0003 0.0000 -0.0000 -0.0000 0.0000 0.0000 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. (1.99979) CR ( 1) O 6 s(100.00%) 1.0000 0.0001 -0.0000 0.0000 -0.0000 0.0001 -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 13. (1.98561) LP ( 1) O 3 s( 58.53%)p 0.71( 41.37%)d 0.00( 0.09%) -0.0004 0.7649 0.0150 0.0024 0.0001 0.2006 -0.0026 -0.0009 0.0022 -0.6111 0.0032 -0.0017 -0.0048 0.0000 0.0000 0.0000 0.0000 0.0142 0.0005 0.0000 0.0000 0.0000 0.0000 0.0213 0.0002 0.0167 0.0007 14. (1.87606) LP ( 2) O 3 s( 0.08%)p99.99( 99.65%)d 3.17( 0.27%) 0.0001 0.0221 0.0175 -0.0074 0.0000 0.9397 0.0161 -0.0011 0.0004 0.3362 0.0113 -0.0035 -0.0014 0.0000 0.0000 0.0000 0.0000 0.0416 -0.0023 0.0000 0.0000 0.0000 0.0000 -0.0305 0.0017 -0.0037 0.0004 15. (1.97947) LP ( 1) O 6 s( 48.31%)p 1.07( 51.58%)d 0.00( 0.11%) -0.0001 0.6950 -0.0101 -0.0019 0.0001 0.5870 0.0017 -0.0014 0.0026 0.4138 0.0051 0.0019 0.0020 0.0000 0.0000 0.0000 0.0000 -0.0291 0.0012 0.0000 0.0000 0.0000 0.0000 -0.0106 0.0001 0.0108 0.0002 16. (1.94912) LP ( 2) O 6 s( 0.00%)p 1.00( 99.82%)d 0.00( 0.18%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9988 0.0239 0.0071 -0.0020 0.0000 0.0000 -0.0316 0.0003 -0.0283 0.0020 0.0000 0.0000 0.0000 0.0000 17. (0.00469) RY*( 1) C 1 s( 11.07%)p 7.25( 80.30%)d 0.78( 8.63%) 0.0000 0.0319 0.3295 0.0190 -0.0281 0.0712 0.8684 -0.0099 -0.1240 -0.0042 0.1512 -0.0552 0.0498 -0.0000 -0.0000 -0.0000 -0.0000 0.2183 -0.0990 0.0000 -0.0000 -0.0000 -0.0000 0.0966 -0.0458 0.0974 -0.0890 18. (0.00182) RY*( 2) C 1 s( 0.00%)p 1.00( 4.87%)d19.54( 95.13%) 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0358 0.0876 0.0895 -0.1781 0.0000 0.0000 0.8913 -0.0321 -0.3929 -0.0394 -0.0000 0.0000 0.0000 -0.0000 19. (0.00174) RY*( 3) C 1 s( 0.13%)p99.99( 81.50%)d99.99( 18.37%) -0.0000 -0.0038 -0.0181 0.0313 0.0050 -0.0019 -0.1327 -0.0651 -0.0269 -0.0211 0.8759 -0.1202 0.1011 -0.0000 -0.0000 -0.0000 0.0000 -0.1453 -0.1756 0.0000 -0.0000 -0.0000 -0.0000 -0.3153 -0.1218 0.1319 0.0097 20. (0.00132) RY*( 4) C 1 s( 17.40%)p 2.14( 37.26%)d 2.61( 45.34%) -0.0000 0.0078 0.3237 -0.2624 -0.0167 0.0031 0.0989 -0.5382 -0.0033 -0.0205 -0.1696 -0.0078 0.2094 -0.0000 -0.0000 -0.0000 -0.0000 -0.4912 0.0651 0.0000 -0.0000 -0.0000 -0.0000 -0.3380 0.2586 -0.1339 0.0940 21. (0.00058) RY*( 5) C 1 s( 43.90%)p 0.59( 25.84%)d 0.69( 30.26%) -0.0000 0.0011 0.2066 0.6290 -0.0258 0.0042 -0.1533 -0.2764 0.0020 -0.0101 -0.2636 -0.2980 -0.0082 0.0000 0.0000 0.0000 0.0000 -0.0204 -0.4831 -0.0000 0.0000 0.0000 0.0000 -0.0317 -0.1405 0.2076 -0.0705 22. (0.00024) RY*( 6) C 1 s( 0.00%)p 1.00( 36.87%)d 1.71( 63.13%) -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0195 0.5291 -0.1781 0.2381 0.0000 -0.0000 0.3191 0.2965 0.6635 0.0369 -0.0000 -0.0000 0.0000 0.0000 23. (0.00023) RY*( 7) C 1 s( 39.63%)p 0.96( 37.87%)d 0.57( 22.50%) -0.0000 -0.0071 0.5518 -0.2900 -0.0870 0.0114 -0.3339 0.0563 0.2379 -0.0181 0.0642 0.1978 0.4047 -0.0000 -0.0000 -0.0000 -0.0000 0.2780 -0.2337 0.0000 -0.0000 -0.0000 -0.0000 0.2920 -0.0177 0.0120 -0.0859 24. (0.00015) RY*( 8) C 1 s( 19.31%)p 1.30( 25.01%)d 2.88( 55.68%) -0.0000 0.0055 0.4174 0.1338 0.0296 0.0175 -0.0782 0.3533 -0.2628 -0.0384 -0.0416 0.2029 -0.0738 -0.0000 -0.0000 -0.0000 0.0000 -0.4781 0.3319 0.0000 -0.0000 -0.0000 0.0000 0.0550 -0.3175 0.3351 -0.0445 25. (0.00003) RY*( 9) C 1 s( 10.65%)p 3.09( 32.90%)d 5.30( 56.45%) 26. (0.00000) RY*(10) C 1 s( 0.00%)p 1.00( 47.09%)d 1.12( 52.91%) 27. (0.00000) RY*(11) C 1 s( 0.00%)p 1.00( 87.22%)d 0.15( 12.78%) 28. (0.00000) RY*(12) C 1 s( 0.00%)p 1.00( 83.60%)d 0.20( 16.40%) 29. (0.00000) RY*(13) C 1 s( 0.10%)p99.99( 90.18%)d95.93( 9.72%) 30. (0.00000) RY*(14) C 1 s( 20.65%)p 0.68( 14.01%)d 3.16( 65.34%) 31. (0.00000) RY*(15) C 1 s( 99.35%)p 0.00( 0.20%)d 0.00( 0.45%) 32. (0.00000) RY*(16) C 1 s( 0.00%)p 1.00( 40.44%)d 1.47( 59.56%) 33. (0.00001) RY*(17) C 1 s( 15.04%)p 4.34( 65.26%)d 1.31( 19.70%) 34. (0.00000) RY*(18) C 1 s( 0.00%)p 1.00( 0.07%)d99.99( 99.93%) 35. (0.00001) RY*(19) C 1 s( 1.79%)p 9.40( 16.84%)d45.43( 81.37%) 36. (0.00000) RY*(20) C 1 s( 12.88%)p 6.49( 83.55%)d 0.28( 3.57%) 37. (0.00000) RY*(21) C 1 s( 7.32%)p 1.24( 9.04%)d11.43( 83.64%) 38. (0.00000) RY*(22) C 1 s( 0.48%)p 1.78( 0.86%)d99.99( 98.66%) 39. (0.01164) RY*( 1) C 2 s( 28.38%)p 2.52( 71.51%)d 0.00( 0.11%) -0.0000 0.0495 0.5284 0.0323 -0.0333 0.0293 -0.1695 0.0272 0.0238 -0.0927 0.8174 -0.0814 -0.0297 0.0000 0.0000 0.0000 0.0000 0.0135 -0.0038 0.0000 0.0000 0.0000 0.0000 0.0272 -0.0029 -0.0008 -0.0108 40. (0.00414) RY*( 2) C 2 s( 28.62%)p 1.00( 28.62%)d 1.49( 42.76%) -0.0000 -0.0052 0.5291 -0.0781 0.0130 0.0445 0.0121 0.0959 0.1318 -0.0009 -0.3819 -0.3335 0.0215 0.0000 0.0000 0.0000 0.0000 -0.4939 0.0165 0.0000 0.0000 0.0000 0.0000 0.4176 -0.0657 0.0379 0.0564 41. (0.00132) RY*( 3) C 2 s( 11.49%)p 6.55( 75.29%)d 1.15( 13.22%) -0.0000 -0.0063 0.1323 0.3095 0.0393 0.0265 0.7313 0.0254 -0.0815 -0.0203 0.0664 0.3596 -0.2756 0.0000 0.0000 0.0000 0.0000 0.0521 0.0117 0.0000 0.0000 0.0000 0.0000 0.3317 0.0134 -0.0398 -0.1326 42. (0.00091) RY*( 4) C 2 s( 0.00%)p 1.00( 13.22%)d 6.56( 86.78%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0246 -0.1234 -0.3308 0.0833 0.0000 0.0000 0.0766 -0.0370 0.8320 0.4102 0.0000 0.0000 0.0000 0.0000 43. (0.00034) RY*( 5) C 2 s( 0.00%)p 1.00( 62.63%)d 0.60( 37.37%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0266 0.6973 0.1766 0.3289 0.0000 0.0000 0.3300 0.4979 0.1299 0.0037 0.0000 0.0000 0.0000 0.0000 44. (0.00026) RY*( 6) C 2 s( 28.20%)p 1.73( 48.64%)d 0.82( 23.16%) 0.0000 -0.0002 0.2620 0.4615 0.0171 0.0019 -0.1494 -0.5349 -0.0919 0.0024 -0.2021 -0.0470 -0.3557 -0.0000 -0.0000 -0.0000 -0.0000 -0.0678 -0.2396 -0.0000 -0.0000 -0.0000 -0.0000 -0.3583 0.1364 0.1501 0.0088 45. (0.00016) RY*( 7) C 2 s( 14.68%)p 5.23( 76.81%)d 0.58( 8.51%) -0.0000 -0.0109 0.3765 0.0535 -0.0454 0.0023 -0.4376 0.3275 -0.1033 -0.0194 -0.2932 0.6095 -0.0283 0.0000 0.0000 0.0000 0.0000 0.2305 0.0807 0.0000 0.0000 0.0000 0.0000 0.0048 -0.0724 -0.1031 -0.0979 46. (0.00006) RY*( 8) C 2 s( 31.48%)p 0.80( 25.20%)d 1.38( 43.31%) 47. (0.00000) RY*( 9) C 2 s( 32.69%)p 2.04( 66.60%)d 0.02( 0.71%) 48. (0.00000) RY*(10) C 2 s( 1.18%)p82.39( 97.28%)d 1.30( 1.54%) 49. (0.00001) RY*(11) C 2 s( 4.50%)p 5.29( 23.78%)d15.95( 71.72%) 50. (0.00000) RY*(12) C 2 s( 0.00%)p 1.00( 97.59%)d 0.02( 2.41%) 51. (0.00000) RY*(13) C 2 s( 97.23%)p 0.01( 0.97%)d 0.02( 1.81%) 52. (0.00000) RY*(14) C 2 s( 4.13%)p 1.15( 4.76%)d22.06( 91.11%) 53. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 13.22%)d 6.56( 86.78%) 54. (0.00000) RY*(16) C 2 s( 0.00%)p 1.00( 21.52%)d 3.65( 78.48%) 55. (0.00000) RY*(17) C 2 s( 0.00%)p 1.00( 89.53%)d 0.12( 10.47%) 56. (0.00000) RY*(18) C 2 s( 0.00%)p 1.00( 2.44%)d40.01( 97.56%) 57. (0.00000) RY*(19) C 2 s( 8.96%)p 7.68( 68.85%)d 2.48( 22.19%) 58. (0.00000) RY*(20) C 2 s( 4.62%)p 0.97( 4.46%)d19.70( 90.93%) 59. (0.00000) RY*(21) C 2 s( 2.15%)p 3.16( 6.78%)d42.40( 91.07%) 60. (0.00000) RY*(22) C 2 s( 1.23%)p 0.91( 1.13%)d79.13( 97.64%) 61. (0.00605) RY*( 1) O 3 s( 12.66%)p 6.81( 86.14%)d 0.09( 1.20%) -0.0000 0.0005 0.3551 -0.0214 -0.0007 -0.0272 0.8281 -0.0172 0.0139 -0.0004 0.4153 -0.0103 -0.0433 0.0000 0.0000 0.0000 0.0000 0.0157 -0.0753 0.0000 0.0000 0.0000 0.0000 -0.0091 0.0774 0.0016 -0.0014 62. (0.00183) RY*( 2) O 3 s( 0.00%)p 1.00( 94.25%)d 0.06( 5.75%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0021 0.9586 0.1536 0.0039 0.0000 0.0000 0.0260 0.0200 0.2094 -0.1121 0.0000 0.0000 0.0000 0.0000 63. (0.00097) RY*( 3) O 3 s( 75.67%)p 0.30( 22.96%)d 0.02( 1.37%) -0.0000 0.0081 0.8645 0.0955 -0.0136 -0.0190 -0.2626 0.1907 -0.0238 0.0307 -0.2061 -0.2781 -0.0503 0.0000 0.0000 0.0000 0.0000 0.0390 0.0549 0.0000 0.0000 0.0000 0.0000 0.0919 0.0070 0.0114 0.0229 64. (0.00024) RY*( 4) O 3 s( 22.90%)p 1.60( 36.66%)d 1.77( 40.45%) -0.0000 0.0037 -0.0814 0.4715 -0.0063 -0.0168 0.2303 -0.2569 0.0652 0.0040 -0.4090 -0.1402 0.2368 0.0000 0.0000 0.0000 0.0000 0.5295 -0.1312 0.0000 0.0000 0.0000 0.0000 0.1257 0.0603 -0.2790 0.0980 65. (0.00012) RY*( 5) O 3 s( 2.25%)p11.65( 26.20%)d31.82( 71.55%) -0.0000 0.0161 -0.0503 0.1399 0.0114 0.0090 0.0210 0.3428 -0.1425 0.0497 0.1255 0.3066 0.1071 0.0000 0.0000 0.0000 0.0000 0.0399 0.1364 0.0000 0.0000 0.0000 0.0000 0.8085 -0.2039 0.0052 0.0030 66. (0.00011) RY*( 6) O 3 s( 0.15%)p99.99( 61.53%)d99.99( 38.31%) -0.0000 0.0171 -0.0071 0.0339 0.0049 -0.0328 -0.3335 -0.2439 0.0689 0.0400 0.6091 -0.2275 0.1204 0.0000 0.0000 0.0000 0.0000 0.4648 -0.0786 0.0000 0.0000 0.0000 0.0000 0.1135 0.1360 0.3591 0.0238 67. (0.00008) RY*( 7) O 3 s( 0.00%)p 1.00( 13.93%)d 6.18( 86.07%) 68. (0.00001) RY*( 8) O 3 s( 10.30%)p 8.70( 89.60%)d 0.01( 0.10%) 69. (0.00000) RY*( 9) O 3 s( 22.42%)p 3.45( 77.41%)d 0.01( 0.17%) 70. (0.00001) RY*(10) O 3 s( 34.29%)p 0.85( 29.29%)d 1.06( 36.43%) 71. (0.00000) RY*(11) O 3 s( 0.00%)p 1.00( 85.39%)d 0.17( 14.61%) 72. (0.00000) RY*(12) O 3 s( 0.00%)p 1.00( 99.26%)d 0.01( 0.74%) 73. (0.00000) RY*(13) O 3 s( 2.76%)p20.00( 55.24%)d15.20( 41.99%) 74. (0.00000) RY*(14) O 3 s( 0.46%)p 6.34( 2.92%)d99.99( 96.62%) 75. (0.00000) RY*(15) O 3 s( 0.03%)p99.99( 98.02%)d68.33( 1.95%) 76. (0.00000) RY*(16) O 3 s( 0.00%)p 1.00( 1.24%)d79.66( 98.76%) 77. (0.00000) RY*(17) O 3 s( 0.00%)p 1.00( 4.85%)d19.64( 95.15%) 78. (0.00000) RY*(18) O 3 s( 0.00%)p 1.00( 1.47%)d67.08( 98.53%) 79. (0.00000) RY*(19) O 3 s( 99.98%)p 0.00( 0.01%)d 0.00( 0.01%) 80. (0.00000) RY*(20) O 3 s( 0.16%)p20.42( 3.25%)d99.99( 96.59%) 81. (0.00000) RY*(21) O 3 s( 15.64%)p 0.73( 11.45%)d 4.66( 72.91%) 82. (0.00000) RY*(22) O 3 s( 0.27%)p 1.02( 0.28%)d99.99( 99.45%) 83. (0.00215) RY*( 1) H 4 s( 98.81%)p 0.01( 1.19%) -0.0084 0.9940 0.0015 -0.0557 -0.0937 0.0000 84. (0.00012) RY*( 2) H 4 s( 49.52%)p 1.02( 50.48%) 0.0052 -0.0785 0.6993 -0.3017 -0.6433 0.0000 85. (0.00009) RY*( 3) H 4 s( 32.07%)p 2.12( 67.93%) 86. (0.00007) RY*( 4) H 4 s( 0.00%)p 1.00(100.00%) 87. (0.00003) RY*( 5) H 4 s( 19.66%)p 4.09( 80.34%) 88. (0.00148) RY*( 1) H 5 s( 99.65%)p 0.00( 0.35%) -0.0051 0.9982 0.0006 -0.0119 -0.0440 -0.0376 89. (0.00017) RY*( 2) H 5 s( 14.39%)p 5.95( 85.61%) -0.0060 -0.0386 0.3773 -0.4122 -0.8246 0.0789 90. (0.00011) RY*( 3) H 5 s( 1.36%)p72.69( 98.64%) 0.0035 0.0231 0.1141 0.6977 -0.2339 0.6670 91. (0.00008) RY*( 4) H 5 s( 76.98%)p 0.30( 23.02%) 92. (0.00004) RY*( 5) H 5 s( 7.66%)p12.05( 92.34%) 93. (0.00208) RY*( 1) O 6 s( 0.00%)p 1.00( 95.67%)d 0.05( 4.33%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0266 0.9688 -0.1222 0.0496 0.0000 0.0000 0.0117 0.1261 -0.1647 -0.0127 0.0000 0.0000 0.0000 0.0000 94. (0.00124) RY*( 2) O 6 s( 2.71%)p33.55( 90.90%)d 2.36( 6.39%) 0.0000 0.0057 -0.1013 0.1294 0.0075 -0.0040 -0.6616 -0.0044 0.0363 -0.0062 -0.6821 -0.0511 -0.0438 -0.0000 -0.0000 -0.0000 -0.0000 -0.0887 -0.1007 -0.0000 -0.0000 -0.0000 -0.0000 -0.0703 -0.1295 0.1485 -0.0468 95. (0.00021) RY*( 3) O 6 s( 38.53%)p 0.91( 34.91%)d 0.69( 26.56%) -0.0000 0.0043 0.6105 -0.1068 0.0344 0.0077 -0.4416 -0.2409 -0.1610 0.0297 0.2308 0.0776 0.0998 0.0000 0.0000 0.0000 0.0000 0.5057 0.0350 0.0000 0.0000 0.0000 0.0000 0.0527 0.0109 0.0631 0.0422 96. (0.00016) RY*( 4) O 6 s( 28.19%)p 1.60( 44.98%)d 0.95( 26.83%) 0.0000 -0.0068 0.4499 -0.2814 -0.0165 0.0294 0.1954 -0.1400 0.1453 -0.0354 -0.3433 0.5001 0.0289 0.0000 0.0000 0.0000 0.0000 -0.3807 -0.0671 0.0000 0.0000 0.0000 0.0000 0.2972 -0.0341 -0.1708 0.0124 97. (0.00009) RY*( 5) O 6 s( 15.71%)p 1.78( 27.97%)d 3.59( 56.32%) 98. (0.00005) RY*( 6) O 6 s( 0.00%)p 1.00( 12.74%)d 6.85( 87.26%) 99. (0.00003) RY*( 7) O 6 s( 2.61%)p17.65( 46.02%)d19.70( 51.37%) 100. (0.00003) RY*( 8) O 6 s( 0.27%)p99.99( 55.10%)d99.99( 44.63%) 101. (0.00000) RY*( 9) O 6 s( 2.97%)p32.17( 95.52%)d 0.51( 1.51%) 102. (0.00000) RY*(10) O 6 s( 83.07%)p 0.05( 4.32%)d 0.15( 12.61%) 103. (0.00000) RY*(11) O 6 s( 0.00%)p 1.00( 88.77%)d 0.13( 11.23%) 104. (0.00000) RY*(12) O 6 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 105. (0.00000) RY*(13) O 6 s( 3.93%)p14.34( 56.30%)d10.13( 39.77%) 106. (0.00000) RY*(14) O 6 s( 1.50%)p 4.10( 6.16%)d61.51( 92.34%) 107. (0.00000) RY*(15) O 6 s( 0.00%)p 1.00( 0.13%)d99.99( 99.87%) 108. (0.00000) RY*(16) O 6 s( 0.00%)p 1.00( 2.16%)d45.22( 97.84%) 109. (0.00000) RY*(17) O 6 s( 0.39%)p99.99( 94.95%)d12.08( 4.66%) 110. (0.00000) RY*(18) O 6 s( 0.00%)p 1.00( 0.76%)d99.99( 99.24%) 111. (0.00000) RY*(19) O 6 s( 99.86%)p 0.00( 0.07%)d 0.00( 0.08%) 112. (0.00000) RY*(20) O 6 s( 0.23%)p 9.40( 2.14%)d99.99( 97.63%) 113. (0.00000) RY*(21) O 6 s( 19.96%)p 2.06( 41.04%)d 1.95( 39.00%) 114. (0.00000) RY*(22) O 6 s( 0.16%)p 1.99( 0.32%)d99.99( 99.51%) 115. (0.00202) RY*( 1) H 7 s( 96.15%)p 0.04( 3.85%) -0.0122 0.9805 -0.0097 -0.1109 0.1618 0.0000 116. (0.00082) RY*( 2) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 117. (0.00037) RY*( 3) H 7 s( 71.91%)p 0.39( 28.09%) -0.0024 0.0781 0.8444 0.5264 -0.0623 0.0000 118. (0.00029) RY*( 4) H 7 s( 25.60%)p 2.91( 74.40%) 0.0117 -0.0491 0.5034 -0.8286 -0.2396 -0.0000 119. (0.00001) RY*( 5) H 7 s( 6.40%)p14.63( 93.60%) 120. (0.00148) RY*( 1) H 8 s( 99.65%)p 0.00( 0.35%) -0.0051 0.9982 0.0006 -0.0119 -0.0440 0.0376 121. (0.00017) RY*( 2) H 8 s( 14.39%)p 5.95( 85.61%) -0.0060 -0.0386 0.3773 -0.4122 -0.8246 -0.0789 122. (0.00011) RY*( 3) H 8 s( 1.36%)p72.69( 98.64%) 0.0035 0.0231 0.1141 0.6977 -0.2339 -0.6670 123. (0.00008) RY*( 4) H 8 s( 76.98%)p 0.30( 23.02%) 124. (0.00004) RY*( 5) H 8 s( 7.66%)p12.05( 92.34%) 125. (0.06380) BD*( 1) C 1 - C 2 ( 48.77%) 0.6984* C 1 s( 28.03%)p 2.56( 71.84%)d 0.00( 0.13%) 0.0002 0.5294 -0.0064 0.0047 -0.0002 -0.5022 0.0176 0.0095 0.0052 -0.6824 -0.0078 0.0044 -0.0010 -0.0000 0.0000 0.0000 -0.0000 0.0320 -0.0007 -0.0000 0.0000 0.0000 -0.0000 -0.0102 -0.0006 -0.0130 -0.0021 ( 51.23%) -0.7157* C 2 s( 36.30%)p 1.75( 63.66%)d 0.00( 0.04%) 0.0001 0.6024 0.0020 0.0047 -0.0000 0.5097 -0.0096 0.0043 -0.0003 0.6134 0.0125 0.0158 -0.0007 -0.0000 -0.0000 -0.0000 -0.0000 0.0188 -0.0032 -0.0000 -0.0000 -0.0000 -0.0000 -0.0002 0.0026 -0.0073 -0.0005 126. (0.02801) BD*( 1) C 1 - H 5 ( 40.27%) 0.6346* C 1 s( 24.14%)p 3.14( 75.74%)d 0.01( 0.12%) 0.0001 -0.4908 -0.0215 0.0021 -0.0004 0.1453 0.0122 -0.0045 0.0012 -0.4867 -0.0062 -0.0043 -0.0002 -0.7063 -0.0151 -0.0030 -0.0029 0.0048 0.0015 0.0221 -0.0068 -0.0157 -0.0071 0.0096 -0.0007 -0.0162 -0.0029 ( 59.73%) -0.7729* H 5 s( 99.96%)p 0.00( 0.04%) -0.9998 -0.0041 0.0002 -0.0048 0.0113 0.0143 127. (0.00763) BD*( 1) C 1 - O 6 ( 65.47%) 0.8091* C 1 s( 24.00%)p 3.16( 75.89%)d 0.00( 0.10%) -0.0000 0.4863 -0.0595 -0.0054 -0.0011 0.8355 -0.0603 -0.0039 -0.0033 -0.2392 -0.0069 0.0031 0.0011 0.0000 -0.0000 -0.0000 0.0000 -0.0147 -0.0077 0.0000 -0.0000 -0.0000 0.0000 0.0115 0.0167 -0.0179 -0.0062 ( 34.53%) -0.5877* O 6 s( 29.69%)p 2.36( 69.98%)d 0.01( 0.33%) 0.0000 0.5447 0.0156 -0.0005 0.0000 -0.8044 0.0078 0.0140 -0.0001 0.2285 -0.0151 0.0038 0.0015 0.0000 0.0000 0.0000 0.0000 -0.0056 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0451 0.0016 -0.0352 0.0011 128. (0.02801) BD*( 1) C 1 - H 8 ( 40.27%) 0.6346* C 1 s( 24.14%)p 3.14( 75.74%)d 0.01( 0.12%) 0.0001 -0.4908 -0.0215 0.0021 -0.0004 0.1453 0.0122 -0.0045 0.0012 -0.4867 -0.0062 -0.0043 -0.0002 0.7063 0.0151 0.0030 0.0029 0.0048 0.0015 -0.0221 0.0068 0.0157 0.0071 0.0096 -0.0007 -0.0162 -0.0029 ( 59.73%) -0.7729* H 8 s( 99.96%)p 0.00( 0.04%) -0.9998 -0.0041 0.0002 -0.0048 0.0113 -0.0143 129. (0.00551) BD*( 1) C 2 - O 3 ( 65.58%) 0.8098* C 2 s( 32.27%)p 2.09( 67.60%)d 0.00( 0.13%) -0.0000 -0.5629 0.0763 0.0009 0.0024 -0.2679 -0.0053 -0.0041 -0.0001 0.7731 0.0800 -0.0008 0.0036 0.0000 0.0000 0.0000 0.0000 0.0210 -0.0029 0.0000 0.0000 0.0000 0.0000 0.0235 -0.0045 0.0154 -0.0043 ( 34.42%) -0.5867* O 3 s( 41.45%)p 1.40( 58.00%)d 0.01( 0.54%) -0.0000 -0.6432 0.0285 0.0039 0.0002 0.2694 -0.0099 0.0018 -0.0009 -0.7122 0.0129 -0.0006 0.0015 0.0000 0.0000 0.0000 0.0000 0.0406 0.0023 0.0000 0.0000 0.0000 0.0000 0.0500 0.0023 0.0355 0.0016 130. (0.06890) BD*( 2) C 2 - O 3 ( 67.68%) 0.8227* C 2 s( 0.00%)p 1.00( 99.85%)d 0.00( 0.15%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9987 -0.0285 -0.0144 -0.0089 0.0000 0.0000 0.0121 -0.0010 -0.0365 -0.0067 0.0000 0.0000 0.0000 0.0000 ( 32.32%) -0.5685* O 3 s( 0.00%)p 1.00( 99.61%)d 0.00( 0.39%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9979 -0.0147 0.0007 -0.0035 0.0000 0.0000 -0.0187 -0.0003 0.0595 0.0004 0.0000 0.0000 0.0000 0.0000 131. (0.06315) BD*( 1) C 2 - H 4 ( 42.39%) 0.6510* C 2 s( 31.90%)p 2.13( 68.05%)d 0.00( 0.06%) -0.0001 0.5632 0.0416 -0.0042 0.0012 -0.8150 0.0215 -0.0003 -0.0027 0.1248 -0.0134 0.0017 -0.0046 -0.0000 -0.0000 -0.0000 -0.0000 -0.0066 0.0026 -0.0000 -0.0000 -0.0000 -0.0000 0.0217 -0.0032 -0.0045 0.0039 ( 57.61%) -0.7590* H 4 s( 99.93%)p 0.00( 0.07%) 0.9996 0.0094 0.0000 0.0260 -0.0053 -0.0000 132. (0.01825) BD*( 1) O 6 - H 7 ( 25.14%) 0.5014* O 6 s( 21.92%)p 3.55( 77.74%)d 0.02( 0.34%) -0.0001 0.4682 0.0036 0.0046 -0.0002 0.0658 -0.0222 0.0067 0.0027 -0.8785 0.0283 0.0003 0.0011 -0.0000 -0.0000 -0.0000 -0.0000 0.0232 -0.0006 -0.0000 -0.0000 -0.0000 -0.0000 -0.0425 -0.0034 -0.0326 0.0008 ( 74.86%) -0.8652* H 7 s( 99.94%)p 0.00( 0.06%) 0.9997 0.0094 -0.0005 0.0067 0.0230 -0.0000 NHO Directionality and "Bond Bending" (deviations from line of nuclear centers) [Thresholds for printing: angular deviation > 1.0 degree] hybrid p-character > 25.0% orbital occupancy > 0.10e Line of Centers Hybrid 1 Hybrid 2 --------------- ------------------- ------------------ NBO Theta Phi Theta Phi Dev Theta Phi Dev ======================================================================================== 1. BD ( 1) C 1 - C 2 90.0 232.0 90.0 235.6 3.6 -- -- -- 2. BD ( 1) C 1 - H 5 36.8 111.2 35.6 107.2 2.7 -- -- -- 3. BD ( 1) C 1 - O 6 90.0 344.6 90.0 342.5 2.1 -- -- -- 4. BD ( 1) C 1 - H 8 143.2 111.2 144.4 107.2 2.7 -- -- -- 5. BD ( 1) C 2 - O 3 90.0 289.9 90.0 288.0 1.9 -- -- -- 6. BD ( 2) C 2 - O 3 90.0 289.9 0.0 0.0 90.0 0.0 0.0 90.0 7. BD ( 1) C 2 - H 4 90.0 168.4 90.0 172.2 3.8 -- -- -- 8. BD ( 1) O 6 - H 7 90.0 271.3 90.0 273.6 2.3 -- -- -- 13. LP ( 1) O 3 -- -- 90.0 288.0 -- -- -- -- 14. LP ( 2) O 3 -- -- 90.0 19.7 -- -- -- -- 15. LP ( 1) O 6 -- -- 90.0 35.6 -- -- -- -- 16. LP ( 2) O 6 -- -- 0.0 0.0 -- -- -- -- Second Order Perturbation Theory Analysis of Fock Matrix in NBO Basis Threshold for printing: 0.50 kcal/mol E(2) E(j)-E(i) F(i,j) Donor NBO (i) Acceptor NBO (j) kcal/mol a.u. a.u. =================================================================================================== within unit 1 1. BD ( 1) C 1 - C 2 / 61. RY*( 1) O 3 1.05 1.56 0.036 1. BD ( 1) C 1 - C 2 / 63. RY*( 3) O 3 0.61 1.53 0.027 2. BD ( 1) C 1 - H 5 / 93. RY*( 1) O 6 0.60 1.21 0.024 2. BD ( 1) C 1 - H 5 /129. BD*( 1) C 2 - O 3 1.34 1.13 0.035 2. BD ( 1) C 1 - H 5 /130. BD*( 2) C 2 - O 3 5.90 0.51 0.049 2. BD ( 1) C 1 - H 5 /132. BD*( 1) O 6 - H 7 0.70 0.95 0.023 3. BD ( 1) C 1 - O 6 /131. BD*( 1) C 2 - H 4 1.03 1.18 0.032 4. BD ( 1) C 1 - H 8 / 93. RY*( 1) O 6 0.60 1.21 0.024 4. BD ( 1) C 1 - H 8 /129. BD*( 1) C 2 - O 3 1.34 1.13 0.035 4. BD ( 1) C 1 - H 8 /130. BD*( 2) C 2 - O 3 5.90 0.51 0.049 4. BD ( 1) C 1 - H 8 /132. BD*( 1) O 6 - H 7 0.70 0.95 0.023 5. BD ( 1) C 2 - O 3 / 39. RY*( 1) C 2 1.24 2.06 0.045 6. BD ( 2) C 2 - O 3 /126. BD*( 1) C 1 - H 5 1.48 0.75 0.030 6. BD ( 2) C 2 - O 3 /128. BD*( 1) C 1 - H 8 1.48 0.75 0.030 7. BD ( 1) C 2 - H 4 / 19. RY*( 3) C 1 0.73 1.65 0.031 7. BD ( 1) C 2 - H 4 / 61. RY*( 1) O 3 2.12 1.45 0.050 7. BD ( 1) C 2 - H 4 /127. BD*( 1) C 1 - O 6 2.82 0.86 0.044 8. BD ( 1) O 6 - H 7 / 17. RY*( 1) C 1 2.38 1.61 0.055 8. BD ( 1) O 6 - H 7 /125. BD*( 1) C 1 - C 2 1.19 1.09 0.033 8. BD ( 1) O 6 - H 7 /126. BD*( 1) C 1 - H 5 0.70 1.06 0.025 8. BD ( 1) O 6 - H 7 /128. BD*( 1) C 1 - H 8 0.70 1.06 0.025 9. CR ( 1) C 1 / 45. RY*( 7) C 2 0.73 11.49 0.082 9. CR ( 1) C 1 /127. BD*( 1) C 1 - O 6 1.03 10.41 0.093 10. CR ( 1) C 2 / 66. RY*( 6) O 3 0.56 11.42 0.071 11. CR ( 1) O 3 / 39. RY*( 1) C 2 5.97 19.83 0.308 12. CR ( 1) O 6 / 17. RY*( 1) C 1 1.85 19.81 0.171 12. CR ( 1) O 6 /115. RY*( 1) H 7 0.62 20.36 0.100 13. LP ( 1) O 3 / 39. RY*( 1) C 2 14.23 1.68 0.138 13. LP ( 1) O 3 / 47. RY*( 9) C 2 1.17 2.89 0.052 13. LP ( 1) O 3 /125. BD*( 1) C 1 - C 2 0.91 1.10 0.029 13. LP ( 1) O 3 /131. BD*( 1) C 2 - H 4 0.52 1.06 0.021 14. LP ( 2) O 3 / 40. RY*( 2) C 2 2.27 1.95 0.061 14. LP ( 2) O 3 / 44. RY*( 6) C 2 0.51 1.72 0.027 14. LP ( 2) O 3 /125. BD*( 1) C 1 - C 2 19.28 0.67 0.103 14. LP ( 2) O 3 /131. BD*( 1) C 2 - H 4 22.45 0.63 0.108 14. LP ( 2) O 3 /132. BD*( 1) O 6 - H 7 2.20 0.72 0.036 15. LP ( 1) O 6 / 17. RY*( 1) C 1 3.83 1.50 0.068 15. LP ( 1) O 6 /125. BD*( 1) C 1 - C 2 3.14 0.98 0.050 16. LP ( 2) O 6 / 18. RY*( 2) C 1 1.36 1.83 0.045 16. LP ( 2) O 6 /116. RY*( 2) H 7 1.12 2.24 0.045 16. LP ( 2) O 6 /126. BD*( 1) C 1 - H 5 7.37 0.65 0.062 16. LP ( 2) O 6 /128. BD*( 1) C 1 - H 8 7.37 0.65 0.062 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C2H4O2) 1. BD ( 1) C 1 - C 2 1.99152 -0.68269 61(v),63(v) 2. BD ( 1) C 1 - H 5 1.96131 -0.53591 130(v),129(v),132(v),93(v) 3. BD ( 1) C 1 - O 6 1.99628 -0.85747 131(v) 4. BD ( 1) C 1 - H 8 1.96131 -0.53591 130(v),129(v),132(v),93(v) 5. BD ( 1) C 2 - O 3 1.99786 -1.11784 39(g) 6. BD ( 2) C 2 - O 3 1.99220 -0.41760 126(v),128(v) 7. BD ( 1) C 2 - H 4 1.98630 -0.57260 127(v),61(v),19(v) 8. BD ( 1) O 6 - H 7 1.98865 -0.72744 17(v),125(v),126(v),128(v) 9. CR ( 1) C 1 1.99926 -10.12664 127(g),45(v) 10. CR ( 1) C 2 1.99954 -10.16671 66(v) 11. CR ( 1) O 3 1.99975 -18.89298 39(v) 12. CR ( 1) O 6 1.99979 -18.93506 17(v),115(v) 13. LP ( 1) O 3 1.98561 -0.73534 39(v),47(v),125(v),131(v) 14. LP ( 2) O 3 1.87606 -0.30624 131(v),125(v),40(v),132(r) 44(v) 15. LP ( 1) O 6 1.97947 -0.61726 17(v),125(v) 16. LP ( 2) O 6 1.94912 -0.31460 126(v),128(v),18(v),116(v) 17. RY*( 1) C 1 0.00469 0.87958 18. RY*( 2) C 1 0.00182 1.52026 19. RY*( 3) C 1 0.00174 1.07828 20. RY*( 4) C 1 0.00132 1.08693 21. RY*( 5) C 1 0.00058 1.28834 22. RY*( 6) C 1 0.00024 1.55578 23. RY*( 7) C 1 0.00023 1.86721 24. RY*( 8) C 1 0.00015 1.37207 25. RY*( 9) C 1 0.00003 1.28289 26. RY*( 10) C 1 0.00000 1.90653 27. RY*( 11) C 1 0.00000 0.44662 28. RY*( 12) C 1 0.00000 2.60562 29. RY*( 13) C 1 0.00000 2.24307 30. RY*( 14) C 1 0.00000 2.39146 31. RY*( 15) C 1 0.00000 22.92501 32. RY*( 16) C 1 0.00000 1.68995 33. RY*( 17) C 1 0.00001 0.52467 34. RY*( 18) C 1 0.00000 2.84402 35. RY*( 19) C 1 0.00001 3.12764 36. RY*( 20) C 1 0.00000 2.09323 37. RY*( 21) C 1 0.00000 1.65492 38. RY*( 22) C 1 0.00000 3.09915 39. RY*( 1) C 2 0.01164 0.94111 40. RY*( 2) C 2 0.00414 1.64810 41. RY*( 3) C 2 0.00132 1.49868 42. RY*( 4) C 2 0.00091 1.86122 43. RY*( 5) C 2 0.00034 0.77289 44. RY*( 6) C 2 0.00026 1.41680 45. RY*( 7) C 2 0.00016 1.36711 46. RY*( 8) C 2 0.00006 2.15107 47. RY*( 9) C 2 0.00000 2.15498 48. RY*( 10) C 2 0.00000 2.17603 49. RY*( 11) C 2 0.00001 3.32326 50. RY*( 12) C 2 0.00000 2.39173 51. RY*( 13) C 2 0.00000 20.36189 52. RY*( 14) C 2 0.00000 2.75802 53. RY*( 15) C 2 0.00000 2.34610 54. RY*( 16) C 2 0.00000 1.97926 55. RY*( 17) C 2 0.00000 0.90020 56. RY*( 18) C 2 0.00000 2.77201 57. RY*( 19) C 2 0.00000 1.51166 58. RY*( 20) C 2 0.00000 2.72902 59. RY*( 21) C 2 0.00000 2.52444 60. RY*( 22) C 2 0.00000 2.49732 61. RY*( 1) O 3 0.00605 0.87951 62. RY*( 2) O 3 0.00183 0.51836 63. RY*( 3) O 3 0.00097 0.84556 64. RY*( 4) O 3 0.00024 1.64992 65. RY*( 5) O 3 0.00012 2.16780 66. RY*( 6) O 3 0.00011 1.24878 67. RY*( 7) O 3 0.00008 1.76989 68. RY*( 8) O 3 0.00001 1.39111 69. RY*( 9) O 3 0.00000 4.08410 70. RY*( 10) O 3 0.00001 1.94048 71. RY*( 11) O 3 0.00000 1.32574 72. RY*( 12) O 3 0.00000 4.61420 73. RY*( 13) O 3 0.00000 1.47861 74. RY*( 14) O 3 0.00000 6.63341 75. RY*( 15) O 3 0.00000 4.76443 76. RY*( 16) O 3 0.00000 6.44811 77. RY*( 17) O 3 0.00000 1.46302 78. RY*( 18) O 3 0.00000 6.65993 79. RY*( 19) O 3 0.00000 49.60265 80. RY*( 20) O 3 0.00000 6.55763 81. RY*( 21) O 3 0.00000 1.58806 82. RY*( 22) O 3 0.00000 6.77324 83. RY*( 1) H 4 0.00215 0.74532 84. RY*( 2) H 4 0.00012 2.03330 85. RY*( 3) H 4 0.00009 2.25141 86. RY*( 4) H 4 0.00007 1.68478 87. RY*( 5) H 4 0.00003 2.58724 88. RY*( 1) H 5 0.00148 0.57976 89. RY*( 2) H 5 0.00017 2.02577 90. RY*( 3) H 5 0.00011 2.10180 91. RY*( 4) H 5 0.00008 2.11086 92. RY*( 5) H 5 0.00004 2.81471 93. RY*( 1) O 6 0.00208 0.67544 94. RY*( 2) O 6 0.00124 0.85714 95. RY*( 3) O 6 0.00021 1.33146 96. RY*( 4) O 6 0.00016 1.32130 97. RY*( 5) O 6 0.00009 2.15348 98. RY*( 6) O 6 0.00005 1.72231 99. RY*( 7) O 6 0.00003 1.76235 100. RY*( 8) O 6 0.00003 1.72638 101. RY*( 9) O 6 0.00000 4.72603 102. RY*( 10) O 6 0.00000 2.24570 103. RY*( 11) O 6 0.00000 1.02211 104. RY*( 12) O 6 0.00000 4.74829 105. RY*( 13) O 6 0.00000 1.30918 106. RY*( 14) O 6 0.00000 6.37528 107. RY*( 15) O 6 0.00000 1.72636 108. RY*( 16) O 6 0.00000 6.70394 109. RY*( 17) O 6 0.00000 4.54689 110. RY*( 18) O 6 0.00000 6.58880 111. RY*( 19) O 6 0.00000 49.26433 112. RY*( 20) O 6 0.00000 6.92531 113. RY*( 21) O 6 0.00000 1.31512 114. RY*( 22) O 6 0.00000 6.81054 115. RY*( 1) H 7 0.00202 1.42582 116. RY*( 2) H 7 0.00082 1.92523 117. RY*( 3) H 7 0.00037 1.84556 118. RY*( 4) H 7 0.00029 2.00961 119. RY*( 5) H 7 0.00001 2.65687 120. RY*( 1) H 8 0.00148 0.57976 121. RY*( 2) H 8 0.00017 2.02577 122. RY*( 3) H 8 0.00011 2.10180 123. RY*( 4) H 8 0.00008 2.11086 124. RY*( 5) H 8 0.00004 2.81471 125. BD*( 1) C 1 - C 2 0.06380 0.36329 126. BD*( 1) C 1 - H 5 0.02801 0.33708 127. BD*( 1) C 1 - O 6 0.00763 0.28811 128. BD*( 1) C 1 - H 8 0.02801 0.33708 129. BD*( 1) C 2 - O 3 0.00551 0.59358 130. BD*( 2) C 2 - O 3 0.06890 -0.02314 131. BD*( 1) C 2 - H 4 0.06315 0.32560 132. BD*( 1) O 6 - H 7 0.01825 0.41281 ------------------------------- Total Lewis 31.66402 ( 98.9501%) Valence non-Lewis 0.28327 ( 0.8852%) Rydberg non-Lewis 0.05271 ( 0.1647%) ------------------------------- Total unit 1 32.00000 (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)\C2H4O2\ESSELMAN\07-Jun-20 26\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)\\C2H4O2 syn ,syn hydroxyacetal Cs\\0,1\C\C,1,1.504099682\O,2,1.206804001,1,122.075 5939\H,2,1.107023694,3,121.4904447,1,180.,0\H,1,1.100492269,2,107.8395 493,3,-122.7415516,0\O,1,1.400463694,2,112.6105836,3,0.,0\H,6,0.970611 805,1,106.7313709,2,0.,0\H,1,1.100492269,2,107.8395493,3,122.7415516,0 \\Version=ES64L-G16RevC.01\State=1-A'\HF=-229.1264242\RMSD=7.206e-09\D ipole=-0.9893946,0.,0.009744\Quadrupole=2.6418836,1.0529772,-3.6948608 ,0.,0.0106569,0.\PG=CS [SG(C2H2O2),X(H2)]\\@ The archive entry for this job was punched. O WAD SOME POWER THE GIFTIE GIE US TO SEE OURSELS AS OTHERS SEE US..... IT WOULD FRAE MONIE A BLUNDER FREE US, AND FOOLISH NOTION... WHAT AIRS IN DRESS AND GAIT WAD LEA'E US, AND EV'N DEVOTION.... (ROBERT BURNS 'TO A LOUSE') Job cpu time: 0 days 0 hours 1 minutes 31.0 seconds. Elapsed time: 0 days 0 hours 0 minutes 6.3 seconds. File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 16 at Sun Jun 7 13:39:27 2026.