Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/269151/Gau-393843.inp" -scrdir="/scratch/webmo-1704971/269151/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 393844. 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 8-Jul-2025 ****************************************** %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 ------ Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 O 2 B2 1 A1 O 3 B3 2 A2 1 D1 0 H 2 B4 1 A3 3 D2 0 H 1 B5 2 A4 3 D3 0 H 1 B6 2 A5 3 D4 0 H 1 B7 2 A6 3 D5 0 Variables: B1 1.47821 B2 1.25507 B3 1.37022 B4 1.08806 B5 1.095 B6 1.095 B7 1.08901 A1 119.22077 A2 118.70635 A3 124.08311 A4 110.08135 A5 110.08135 A6 110.89262 D1 180. D2 180. D3 121.24259 D4 -121.24259 D5 0. 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 1.478213 3 8 0 1.095358 0.000000 2.090909 4 8 0 1.083056 0.000000 3.461077 5 1 0 -0.901157 0.000000 2.087955 6 1 0 -0.533408 -0.879286 -0.375972 7 1 0 -0.533408 0.879286 -0.375972 8 1 0 1.017411 0.000000 -0.388361 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.478213 0.000000 3 O 2.360447 1.255072 0.000000 4 O 3.626577 2.259371 1.370222 0.000000 5 H 2.274124 1.088057 1.996517 2.412999 0.000000 6 H 1.094999 2.120300 3.084077 4.255472 2.641840 7 H 1.094999 2.120300 3.084077 4.255472 2.641840 8 H 1.089013 2.125847 2.480496 3.849998 3.132578 6 7 8 6 H 0.000000 7 H 1.758572 0.000000 8 H 1.782789 1.782789 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 -1.362598 1.131685 -0.000000 2 6 0 0.000000 0.558587 -0.000000 3 8 0 0.140109 -0.688640 0.000000 4 8 0 1.407881 -1.208509 0.000000 5 1 0 0.911427 1.152867 -0.000000 6 1 0 -1.502364 1.769137 0.879286 7 1 0 -1.502364 1.769137 -0.879286 8 1 0 -2.115031 0.344415 -0.000000 --------------------------------------------------------------------- Rotational constants (GHZ): 49.7097040 4.4228367 4.1658191 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 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 **** 5 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 6 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 7 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 8 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** There are 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 117.2472273569 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= 1.03D-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. EnCoef did 3 forward-backward iterations SCF Done: E(RB3LYP) = -228.989514608 A.U. after 13 cycles NFock= 13 Conv=0.57D-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 -- -19.27942 -19.11456 -10.29390 -10.21893 -1.19724 Alpha occ. eigenvalues -- -0.90793 -0.78223 -0.63941 -0.54163 -0.51707 Alpha occ. eigenvalues -- -0.51045 -0.44814 -0.44369 -0.40205 -0.24532 Alpha occ. eigenvalues -- -0.24509 Alpha virt. eigenvalues -- -0.08985 -0.01008 0.01770 0.03375 0.03533 Alpha virt. eigenvalues -- 0.06261 0.06456 0.07003 0.08749 0.11341 Alpha virt. eigenvalues -- 0.11536 0.13501 0.15984 0.20067 0.20475 Alpha virt. eigenvalues -- 0.22274 0.22705 0.24411 0.25076 0.26894 Alpha virt. eigenvalues -- 0.28554 0.31621 0.34618 0.38988 0.39417 Alpha virt. eigenvalues -- 0.42227 0.44995 0.49862 0.50335 0.51604 Alpha virt. eigenvalues -- 0.54052 0.58345 0.61304 0.62194 0.68057 Alpha virt. eigenvalues -- 0.72189 0.75721 0.79169 0.83563 0.97297 Alpha virt. eigenvalues -- 0.97720 0.98235 1.02892 1.04067 1.06881 Alpha virt. eigenvalues -- 1.11828 1.12682 1.13613 1.19458 1.22577 Alpha virt. eigenvalues -- 1.25279 1.34491 1.35705 1.40630 1.43652 Alpha virt. eigenvalues -- 1.53763 1.56532 1.62785 1.62834 1.65495 Alpha virt. eigenvalues -- 1.82024 1.83212 1.84147 1.85518 1.97632 Alpha virt. eigenvalues -- 2.08073 2.14146 2.15434 2.21219 2.25106 Alpha virt. eigenvalues -- 2.28398 2.28857 2.36120 2.47276 2.49479 Alpha virt. eigenvalues -- 2.55471 2.60496 2.68795 2.72208 2.78313 Alpha virt. eigenvalues -- 2.79563 3.07409 3.08875 3.24918 3.27573 Alpha virt. eigenvalues -- 3.29778 3.32666 3.37592 3.41195 3.42414 Alpha virt. eigenvalues -- 3.58766 3.60320 3.94211 4.15117 4.21166 Alpha virt. eigenvalues -- 4.43650 4.85890 4.88105 5.02563 5.05351 Alpha virt. eigenvalues -- 5.50918 6.12446 6.72548 6.78065 6.79678 Alpha virt. eigenvalues -- 6.91707 6.92290 6.93010 6.97404 7.08472 Alpha virt. eigenvalues -- 7.20704 7.52863 23.90968 23.96733 49.79844 Alpha virt. eigenvalues -- 49.90219 Molecular Orbital Coefficients: 1 2 3 4 5 O O O O O Eigenvalues -- -19.27942 -19.11456 -10.29390 -10.21893 -1.19724 1 1 C 1S -0.00001 -0.00001 0.00118 0.56293 -0.00517 2 2S 0.00005 0.00003 0.00093 0.46309 -0.00806 3 2PX 0.00015 0.00004 0.00044 0.00035 0.00421 4 2PY -0.00006 -0.00007 -0.00033 -0.00015 -0.00409 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.00014 -0.00014 0.00102 0.02043 0.02144 7 3PX -0.00097 -0.00029 -0.00077 -0.00045 0.01284 8 3PY 0.00030 0.00038 0.00112 0.00058 -0.00932 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.00582 -0.00174 -0.00118 -0.00814 0.03586 11 4PX -0.00170 -0.00081 -0.00154 -0.00168 0.00944 12 4PY 0.00187 0.00037 0.00229 0.00176 -0.01133 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.00705 -0.00713 0.00203 -0.01664 -0.05650 15 5PX 0.00196 -0.00176 0.00061 -0.00286 -0.01557 16 5PY -0.00119 -0.00002 -0.00017 0.00087 0.01296 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00004 0.00003 -0.00004 -0.00007 -0.00100 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 -0.00002 -0.00002 0.00000 -0.00007 0.00038 22 6D-2 0.00001 0.00004 -0.00001 0.00003 -0.00127 23 7D 0 -0.00005 0.00012 0.00172 0.00120 0.00061 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 0.00004 -0.00000 -0.00073 -0.00053 -0.00100 27 7D-2 0.00081 0.00014 0.00086 0.00070 -0.00669 28 2 C 1S 0.00000 -0.00001 0.56293 -0.00121 -0.04337 29 2S -0.00002 0.00004 0.46316 -0.00105 -0.06592 30 2PX -0.00003 0.00007 -0.00023 -0.00055 0.00980 31 2PY -0.00020 -0.00007 -0.00056 0.00026 -0.06288 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00020 -0.00050 0.02067 0.00108 0.17166 34 3PX 0.00037 -0.00032 0.00156 0.00124 0.01084 35 3PY -0.00028 0.00054 -0.00283 -0.00051 -0.07840 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.01117 0.00309 -0.00047 0.00350 -0.02112 38 4PX -0.00329 -0.00073 0.00068 0.00001 0.01692 39 4PY -0.00350 -0.00021 -0.00190 -0.00129 0.01049 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.00844 0.00498 -0.00385 0.01283 0.08068 42 5PX 0.00149 -0.00314 -0.00003 -0.00373 -0.00782 43 5PY 0.00043 0.00277 -0.00036 0.00192 -0.01312 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00017 0.00012 -0.00102 -0.00003 -0.00922 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 0.00015 -0.00000 -0.00054 0.00008 -0.01175 49 6D-2 0.00010 0.00008 -0.00009 -0.00006 -0.00436 50 7D 0 -0.00117 -0.00067 -0.00196 0.00022 0.00290 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 0.00083 0.00052 -0.00062 -0.00185 -0.01540 54 7D-2 -0.00032 0.00030 0.00172 0.00231 -0.00588 55 3 O 1S 0.55134 -0.00018 -0.00007 0.00001 -0.10666 56 2S 0.46973 -0.00017 -0.00013 0.00004 -0.17096 57 2PX 0.00100 0.00004 -0.00005 -0.00003 0.03112 58 2PY 0.00094 -0.00004 0.00056 0.00005 0.04027 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.01415 -0.00019 0.00178 -0.00021 0.49998 61 3PX -0.00030 0.00016 0.00013 0.00016 0.05457 62 3PY 0.00013 0.00004 -0.00118 -0.00030 0.06101 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.01426 0.00313 -0.01050 -0.00227 0.33729 65 4PX -0.00102 0.00281 0.00072 0.00065 0.01119 66 4PY -0.00250 -0.00094 -0.00635 -0.00051 0.03402 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 0.00821 -0.01066 0.00354 -0.00499 -0.05631 69 5PX 0.00333 -0.00457 -0.00160 -0.00291 -0.01957 70 5PY -0.00190 0.00151 0.00442 0.00085 0.00967 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 -0.00024 -0.00003 -0.00021 0.00006 -0.00426 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 -0.00007 0.00007 -0.00026 -0.00001 -0.00216 76 6D-2 -0.00013 -0.00008 -0.00006 -0.00003 -0.00245 77 7D 0 0.00070 -0.00015 0.00168 -0.00014 -0.01010 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 -0.00001 0.00210 0.00007 -0.00035 81 7D-2 0.00029 -0.00001 0.00066 0.00038 -0.00601 82 4 O 1S 0.00017 0.55134 0.00000 0.00000 -0.04478 83 2S 0.00013 0.46987 0.00003 0.00002 -0.07135 84 2PX -0.00000 -0.00119 0.00001 -0.00003 -0.03818 85 2PY -0.00002 0.00058 0.00004 0.00005 0.01934 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S -0.00007 0.01327 -0.00032 -0.00023 0.20159 88 3PX -0.00031 0.00025 0.00001 0.00016 -0.06304 89 3PY 0.00018 -0.00003 -0.00018 -0.00021 0.03132 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4S 0.00222 -0.01101 0.00063 0.00025 0.13440 92 4PX -0.00115 0.00228 -0.00046 -0.00066 -0.02682 93 4PY 0.00062 -0.00131 0.00091 0.00058 0.01606 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S -0.00691 0.01593 0.00119 0.00558 0.01449 96 5PX 0.00248 -0.00426 -0.00023 -0.00116 -0.00486 97 5PY -0.00093 0.00252 -0.00140 0.00049 -0.00204 98 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 6D 0 -0.00006 -0.00013 0.00006 0.00004 -0.00244 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00005 0.00015 0.00001 0.00001 0.00291 103 6D-2 -0.00002 -0.00019 0.00006 0.00004 -0.00345 104 7D 0 0.00002 0.00044 -0.00027 -0.00015 -0.00877 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00001 -0.00046 0.00003 0.00000 0.00862 108 7D-2 -0.00016 0.00056 -0.00027 -0.00015 -0.01259 109 5 H 1S -0.00011 -0.00002 0.00018 -0.00015 0.01218 110 2S -0.00103 -0.00101 -0.00582 -0.00138 0.02270 111 3S 0.00132 0.00012 0.00301 0.00029 -0.00953 112 4PX 0.00009 0.00010 0.00204 0.00072 -0.00247 113 4PY 0.00054 0.00024 0.00128 -0.00029 -0.00456 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 6 H 1S -0.00004 -0.00001 -0.00015 0.00018 0.00138 116 2S 0.00054 -0.00003 -0.00111 -0.00389 -0.00173 117 3S -0.00035 0.00011 -0.00020 0.00370 0.00224 118 4PX -0.00003 0.00000 0.00004 -0.00015 0.00023 119 4PY -0.00010 0.00003 0.00024 0.00127 0.00024 120 4PZ -0.00001 0.00002 0.00020 0.00169 -0.00029 121 7 H 1S -0.00004 -0.00001 -0.00015 0.00018 0.00138 122 2S 0.00054 -0.00003 -0.00111 -0.00389 -0.00173 123 3S -0.00035 0.00011 -0.00020 0.00370 0.00224 124 4PX -0.00003 0.00000 0.00004 -0.00015 0.00023 125 4PY -0.00010 0.00003 0.00024 0.00127 0.00024 126 4PZ 0.00001 -0.00002 -0.00020 -0.00169 0.00029 127 8 H 1S -0.00008 0.00001 -0.00007 0.00024 0.00274 128 2S -0.00009 0.00005 0.00065 -0.00287 0.00547 129 3S 0.00071 -0.00062 -0.00070 0.00317 -0.00492 130 4PX -0.00010 0.00000 0.00014 -0.00126 0.00144 131 4PY -0.00009 0.00001 0.00001 -0.00151 0.00084 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 7 8 9 10 O O O O O Eigenvalues -- -0.90793 -0.78223 -0.63941 -0.54163 -0.51707 1 1 C 1S 0.02916 -0.09661 0.03611 0.00224 -0.01695 2 2S 0.04494 -0.14971 0.05634 0.00348 -0.02646 3 2PX -0.01698 0.01829 0.05571 -0.00652 -0.13433 4 2PY 0.01248 0.00138 -0.00093 -0.07353 0.05692 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S -0.11752 0.39110 -0.15068 -0.00719 0.06817 7 3PX -0.03001 0.03283 0.07475 -0.00603 -0.19238 8 3PY 0.01548 -0.00264 -0.00114 -0.10022 0.08068 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S -0.06860 0.20705 -0.12546 0.01951 0.07791 11 4PX -0.01362 0.00080 0.03508 0.01043 -0.11608 12 4PY 0.00429 0.00625 -0.00324 -0.06186 0.04719 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S 0.01281 0.14265 0.01439 0.08994 0.06181 15 5PX 0.00619 0.02924 0.00289 0.02106 0.00823 16 5PY 0.00662 -0.00951 -0.00735 -0.01524 -0.00980 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00203 -0.00146 -0.00161 -0.00394 0.00616 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 -0.00116 0.00258 0.00461 -0.00095 -0.00794 22 6D-2 0.00246 -0.00149 -0.00250 -0.00121 0.00727 23 7D 0 -0.00168 -0.00430 -0.00337 0.00178 0.00769 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 -0.00446 0.00411 0.00542 -0.00012 -0.00995 27 7D-2 0.00421 -0.00100 -0.00112 -0.00636 0.00364 28 2 C 1S 0.05949 -0.03291 -0.07156 -0.00175 0.02543 29 2S 0.09182 -0.05157 -0.11265 -0.00286 0.04053 30 2PX 0.01751 -0.05041 0.08214 -0.08271 0.11460 31 2PY 0.04876 0.07681 0.04208 -0.11160 -0.10168 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.24549 0.13762 0.31670 0.01447 -0.11087 34 3PX 0.03007 -0.07517 0.10911 -0.11628 0.16628 35 3PY 0.05924 0.10115 0.04593 -0.15388 -0.14928 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S -0.09952 0.11862 0.23225 -0.02111 -0.09240 38 4PX -0.00330 -0.03872 0.03749 -0.03179 0.07309 39 4PY 0.01201 0.02777 0.02824 -0.08352 -0.05940 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.01025 -0.11922 -0.02163 -0.08954 -0.06644 42 5PX 0.01222 0.03842 0.02068 0.02455 0.02000 43 5PY -0.01821 -0.01807 0.00961 -0.01478 0.00470 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00746 -0.00120 -0.00443 -0.00207 -0.00139 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 0.00735 0.01158 0.00219 -0.00706 -0.01096 49 6D-2 -0.00021 -0.00303 0.00105 0.00002 -0.00508 50 7D 0 0.00728 -0.00300 -0.00096 -0.00654 -0.00316 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 0.00695 0.01141 -0.00429 -0.00070 -0.01140 54 7D-2 -0.00895 -0.00956 -0.00995 0.01768 -0.01132 55 3 O 1S 0.02035 0.03169 0.04407 0.02640 0.01206 56 2S 0.03283 0.05151 0.07176 0.04300 0.01932 57 2PX 0.08815 0.02188 0.05094 -0.09590 0.10773 58 2PY -0.10434 -0.03150 0.09983 0.13294 0.14155 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.09979 -0.15969 -0.22203 -0.13447 -0.05388 61 3PX 0.13341 0.03173 0.07094 -0.14650 0.15787 62 3PY -0.15587 -0.04839 0.14256 0.19420 0.20509 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.07099 -0.13547 -0.25140 -0.18553 -0.11516 65 4PX 0.06100 0.01678 0.05259 -0.10367 0.12318 66 4PY -0.06972 -0.02319 0.08521 0.12000 0.12946 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 0.02650 0.01175 0.02466 0.03897 0.00070 69 5PX -0.00259 0.01478 0.01699 0.04503 -0.00383 70 5PY 0.01058 -0.01174 -0.01489 -0.02080 0.01728 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00004 0.00009 -0.00214 -0.00200 -0.00312 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 0.00833 0.00312 -0.00240 -0.00493 -0.00321 76 6D-2 -0.00142 -0.00112 0.00277 -0.00214 0.00405 77 7D 0 -0.00249 -0.00162 -0.00305 -0.00060 -0.00358 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 0.02084 0.00697 -0.00451 -0.01057 -0.00122 81 7D-2 -0.00445 -0.00400 0.01474 -0.00350 0.02394 82 4 O 1S -0.09141 -0.04082 -0.02653 -0.05740 0.00659 83 2S -0.14670 -0.06571 -0.04279 -0.09286 0.01066 84 2PX -0.03458 0.00249 0.03800 0.11097 0.00658 85 2PY 0.01113 -0.00167 0.01458 -0.03061 0.05378 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.43132 0.19615 0.12752 0.28150 -0.03390 88 3PX -0.05837 0.00175 0.05419 0.16281 0.00721 89 3PY 0.01855 -0.00184 0.02212 -0.04388 0.07952 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4S 0.33825 0.16917 0.13419 0.31329 -0.03287 92 4PX -0.03284 -0.00105 0.02618 0.09184 0.00487 93 4PY 0.01647 0.00208 0.02043 -0.02205 0.05760 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S -0.03024 -0.02594 -0.03123 -0.04289 0.00012 96 5PX 0.01326 0.00824 0.01529 0.02914 0.00172 97 5PY -0.01124 -0.00257 -0.00484 -0.01054 0.00007 98 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 6D 0 -0.00159 0.00008 0.00101 0.00302 -0.00027 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00267 0.00014 -0.00249 -0.00390 -0.00181 103 6D-2 -0.00207 0.00006 0.00000 0.00295 -0.00226 104 7D 0 -0.00642 -0.00007 -0.00009 0.00730 -0.00373 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.01015 0.00103 -0.00728 -0.01079 -0.00527 108 7D-2 -0.00737 0.00000 -0.00297 0.00455 -0.01032 109 5 H 1S -0.02034 0.02696 0.12366 -0.08832 -0.00567 110 2S -0.01466 0.03570 0.17083 -0.13627 -0.00521 111 3S 0.00816 0.00311 0.00816 -0.01797 -0.00298 112 4PX 0.00323 -0.00715 -0.01929 0.01389 0.00594 113 4PY 0.00265 -0.00077 -0.01204 0.00465 -0.00473 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 6 H 1S -0.01433 0.07138 -0.03764 -0.03408 0.05887 116 2S -0.01416 0.08918 -0.04584 -0.04907 0.07810 117 3S 0.00312 -0.01067 -0.00041 -0.00901 0.02245 118 4PX -0.00084 0.00288 0.00191 -0.00177 -0.00558 119 4PY 0.00135 -0.00900 0.00385 0.00062 -0.00255 120 4PZ 0.00264 -0.01204 0.00567 0.00508 -0.00806 121 7 H 1S -0.01433 0.07138 -0.03764 -0.03408 0.05887 122 2S -0.01416 0.08918 -0.04584 -0.04907 0.07810 123 3S 0.00312 -0.01067 -0.00041 -0.00901 0.02245 124 4PX -0.00084 0.00288 0.00191 -0.00177 -0.00558 125 4PY 0.00135 -0.00900 0.00385 0.00062 -0.00255 126 4PZ -0.00264 0.01204 -0.00567 -0.00508 0.00806 127 8 H 1S -0.01786 0.06472 -0.05808 0.03983 0.05712 128 2S -0.02526 0.07659 -0.07521 0.05809 0.07715 129 3S 0.00571 -0.00434 -0.00309 0.01317 0.00513 130 4PX -0.00491 0.00934 -0.00636 0.00701 -0.00113 131 4PY -0.00223 0.00985 -0.00736 0.00147 0.01185 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 11 12 13 14 15 O O O O O Eigenvalues -- -0.51045 -0.44814 -0.44369 -0.40205 -0.24532 1 1 C 1S 0.00000 0.00000 0.00218 -0.01143 0.00000 2 2S 0.00000 0.00000 0.00349 -0.01854 0.00000 3 2PX 0.00000 0.00000 0.07110 0.11569 0.00000 4 2PY 0.00000 0.00000 0.18421 -0.03237 0.00000 5 2PZ 0.09733 0.18014 0.00000 0.00000 0.02992 6 3S 0.00000 0.00000 -0.00941 0.05583 0.00000 7 3PX 0.00000 0.00000 0.09715 0.16589 0.00000 8 3PY 0.00000 0.00000 0.25447 -0.05331 0.00000 9 3PZ 0.14004 0.24868 0.00000 0.00000 0.03885 10 4S 0.00000 0.00000 0.00665 0.01799 0.00000 11 4PX 0.00000 0.00000 0.08065 0.10401 0.00000 12 4PY 0.00000 0.00000 0.17896 -0.03688 0.00000 13 4PZ 0.09820 0.15902 0.00000 0.00000 0.01822 14 5S 0.00000 0.00000 0.00715 -0.06650 0.00000 15 5PX 0.00000 0.00000 0.01116 -0.01081 0.00000 16 5PY 0.00000 0.00000 0.01695 0.00580 0.00000 17 5PZ 0.00337 0.01549 0.00000 0.00000 -0.00074 18 6D 0 0.00000 0.00000 0.00964 -0.00293 0.00000 19 6D+1 0.00223 -0.00163 0.00000 0.00000 -0.00544 20 6D-1 0.00387 0.01256 0.00000 0.00000 0.00623 21 6D+2 0.00000 0.00000 -0.00303 0.00472 0.00000 22 6D-2 0.00000 0.00000 -0.00911 -0.00752 0.00000 23 7D 0 0.00000 0.00000 0.00530 -0.00393 0.00000 24 7D+1 0.01215 -0.00028 0.00000 0.00000 -0.01595 25 7D-1 0.00161 0.00285 0.00000 0.00000 0.00771 26 7D+2 0.00000 0.00000 -0.00444 -0.00085 0.00000 27 7D-2 0.00000 0.00000 -0.00614 -0.01085 0.00000 28 2 C 1S 0.00000 0.00000 0.00843 -0.00595 0.00000 29 2S 0.00000 0.00000 0.01358 -0.01021 0.00000 30 2PX 0.00000 0.00000 -0.02458 -0.13220 0.00000 31 2PY 0.00000 0.00000 -0.03798 -0.02817 0.00000 32 2PZ 0.12118 -0.00926 0.00000 0.00000 -0.13519 33 3S 0.00000 0.00000 -0.03637 0.03906 0.00000 34 3PX 0.00000 0.00000 -0.03408 -0.18984 0.00000 35 3PY 0.00000 0.00000 -0.04822 -0.04282 0.00000 36 3PZ 0.18322 -0.01046 0.00000 0.00000 -0.20771 37 4S 0.00000 0.00000 -0.05060 0.02111 0.00000 38 4PX 0.00000 0.00000 -0.01089 -0.12688 0.00000 39 4PY 0.00000 0.00000 -0.04784 -0.02779 0.00000 40 4PZ 0.10228 -0.00531 0.00000 0.00000 -0.20666 41 5S 0.00000 0.00000 -0.00159 0.04863 0.00000 42 5PX 0.00000 0.00000 -0.00238 -0.02110 0.00000 43 5PY 0.00000 0.00000 -0.01052 0.00113 0.00000 44 5PZ 0.01587 -0.01063 0.00000 0.00000 -0.01976 45 6D 0 0.00000 0.00000 -0.00052 -0.00169 0.00000 46 6D+1 -0.00186 -0.00673 0.00000 0.00000 -0.00062 47 6D-1 -0.01242 0.01114 0.00000 0.00000 0.00531 48 6D+2 0.00000 0.00000 -0.01116 0.00201 0.00000 49 6D-2 0.00000 0.00000 -0.00425 -0.01981 0.00000 50 7D 0 0.00000 0.00000 0.00112 -0.00182 0.00000 51 7D+1 -0.00303 -0.01603 0.00000 0.00000 0.00272 52 7D-1 -0.01497 0.02568 0.00000 0.00000 0.00908 53 7D+2 0.00000 0.00000 -0.02607 0.00214 0.00000 54 7D-2 0.00000 0.00000 -0.01568 -0.03658 0.00000 55 3 O 1S 0.00000 0.00000 -0.00669 0.01386 0.00000 56 2S 0.00000 0.00000 -0.01110 0.02240 0.00000 57 2PX 0.00000 0.00000 -0.06439 0.17608 0.00000 58 2PY 0.00000 0.00000 0.04375 0.06689 0.00000 59 2PZ 0.21426 -0.14388 0.00000 0.00000 -0.04764 60 3S 0.00000 0.00000 0.03745 -0.06578 0.00000 61 3PX 0.00000 0.00000 -0.09815 0.26189 0.00000 62 3PY 0.00000 0.00000 0.06593 0.09439 0.00000 63 3PZ 0.31838 -0.21365 0.00000 0.00000 -0.07035 64 4S 0.00000 0.00000 0.00333 -0.10473 0.00000 65 4PX 0.00000 0.00000 -0.07942 0.22104 0.00000 66 4PY 0.00000 0.00000 0.03129 0.06714 0.00000 67 4PZ 0.25246 -0.17096 0.00000 0.00000 -0.05402 68 5S 0.00000 0.00000 0.00156 -0.05033 0.00000 69 5PX 0.00000 0.00000 0.00400 0.03329 0.00000 70 5PY 0.00000 0.00000 0.00201 0.00853 0.00000 71 5PZ -0.00784 -0.01716 0.00000 0.00000 0.00028 72 6D 0 0.00000 0.00000 0.00002 -0.00299 0.00000 73 6D+1 0.00224 -0.00225 0.00000 0.00000 0.00364 74 6D-1 0.00472 -0.00185 0.00000 0.00000 -0.00556 75 6D+2 0.00000 0.00000 -0.00275 0.00217 0.00000 76 6D-2 0.00000 0.00000 -0.00026 -0.00069 0.00000 77 7D 0 0.00000 0.00000 0.00307 -0.00795 0.00000 78 7D+1 0.00993 -0.00921 0.00000 0.00000 0.02525 79 7D-1 0.02359 -0.00821 0.00000 0.00000 -0.02662 80 7D+2 0.00000 0.00000 -0.00758 0.01356 0.00000 81 7D-2 0.00000 0.00000 -0.00346 0.00281 0.00000 82 4 O 1S 0.00000 0.00000 -0.01496 0.01679 0.00000 83 2S 0.00000 0.00000 -0.02424 0.02709 0.00000 84 2PX 0.00000 0.00000 0.05253 -0.08600 0.00000 85 2PY 0.00000 0.00000 -0.02464 0.08637 0.00000 86 2PZ 0.06618 -0.06323 0.00000 0.00000 0.27132 87 3S 0.00000 0.00000 0.07360 -0.08017 0.00000 88 3PX 0.00000 0.00000 0.07744 -0.12904 0.00000 89 3PY 0.00000 0.00000 -0.03572 0.12749 0.00000 90 3PZ 0.09806 -0.09292 0.00000 0.00000 0.39117 91 4S 0.00000 0.00000 0.09458 -0.11813 0.00000 92 4PX 0.00000 0.00000 0.04822 -0.08166 0.00000 93 4PY 0.00000 0.00000 -0.02318 0.09012 0.00000 94 4PZ 0.06807 -0.07177 0.00000 0.00000 0.37062 95 5S 0.00000 0.00000 0.00768 -0.03024 0.00000 96 5PX 0.00000 0.00000 0.00650 -0.00933 0.00000 97 5PY 0.00000 0.00000 -0.00479 0.01551 0.00000 98 5PZ 0.01120 -0.00535 0.00000 0.00000 0.10237 99 6D 0 0.00000 0.00000 0.00122 -0.00223 0.00000 100 6D+1 -0.00309 0.00236 0.00000 0.00000 -0.00256 101 6D-1 0.00147 -0.00108 0.00000 0.00000 0.00098 102 6D+2 0.00000 0.00000 -0.00132 0.00113 0.00000 103 6D-2 0.00000 0.00000 0.00152 -0.00431 0.00000 104 7D 0 0.00000 0.00000 0.00355 -0.00601 0.00000 105 7D+1 -0.01346 0.01076 0.00000 0.00000 -0.01391 106 7D-1 0.00656 -0.00524 0.00000 0.00000 0.00814 107 7D+2 0.00000 0.00000 -0.00346 0.00246 0.00000 108 7D-2 0.00000 0.00000 0.00282 -0.01388 0.00000 109 5 H 1S 0.00000 0.00000 -0.04892 -0.11799 0.00000 110 2S 0.00000 0.00000 -0.05929 -0.16721 0.00000 111 3S 0.00000 0.00000 -0.02843 -0.07613 0.00000 112 4PX 0.00000 0.00000 0.00496 0.00926 0.00000 113 4PY 0.00000 0.00000 0.00130 0.00755 0.00000 114 4PZ 0.00779 -0.00097 0.00000 0.00000 -0.01081 115 6 H 1S 0.06171 0.12914 0.08453 -0.01914 0.03743 116 2S 0.08140 0.19383 0.12005 -0.02435 0.06953 117 3S 0.01253 0.07352 0.04363 -0.00671 0.07032 118 4PX 0.00090 0.00389 0.00637 0.00668 0.00034 119 4PY -0.00655 -0.01422 0.00233 -0.00107 -0.00307 120 4PZ -0.00342 -0.00854 -0.01222 0.00196 -0.00240 121 7 H 1S -0.06171 -0.12914 0.08453 -0.01914 -0.03743 122 2S -0.08140 -0.19383 0.12005 -0.02435 -0.06953 123 3S -0.01253 -0.07352 0.04363 -0.00671 -0.07032 124 4PX -0.00090 -0.00389 0.00637 0.00668 -0.00034 125 4PY 0.00655 0.01422 0.00233 -0.00107 0.00307 126 4PZ -0.00342 -0.00854 0.01222 -0.00196 -0.00240 127 8 H 1S 0.00000 0.00000 -0.16223 -0.04550 0.00000 128 2S 0.00000 0.00000 -0.23044 -0.07079 0.00000 129 3S 0.00000 0.00000 -0.07357 -0.03591 0.00000 130 4PX 0.00000 0.00000 -0.01593 -0.00070 0.00000 131 4PY 0.00000 0.00000 -0.01080 -0.00450 0.00000 132 4PZ 0.00666 0.01028 0.00000 0.00000 0.00170 16 17 18 19 20 O V V V V Eigenvalues -- -0.24509 -0.08985 -0.01008 0.01770 0.03375 1 1 C 1S -0.00085 0.00000 0.04052 -0.01495 0.00000 2 2S -0.00124 0.00000 0.06697 -0.02461 0.00000 3 2PX 0.01308 0.00000 0.02900 -0.02018 0.00000 4 2PY -0.00202 0.00000 -0.03315 -0.04038 0.00000 5 2PZ 0.00000 -0.02124 0.00000 0.00000 -0.09504 6 3S 0.00249 0.00000 -0.21789 0.07635 0.00000 7 3PX 0.01879 0.00000 0.06121 -0.03444 0.00000 8 3PY 0.00139 0.00000 -0.06686 -0.07880 0.00000 9 3PZ 0.00000 -0.01745 0.00000 0.00000 -0.16924 10 4S 0.03524 0.00000 -0.30168 0.24564 0.00000 11 4PX 0.03904 0.00000 0.22427 -0.05397 0.00000 12 4PY 0.00575 0.00000 -0.18308 -0.13087 0.00000 13 4PZ 0.00000 -0.03089 0.00000 0.00000 -0.39302 14 5S 0.26629 0.00000 2.38223 5.87013 0.00000 15 5PX 0.05810 0.00000 0.00958 2.22027 0.00000 16 5PY -0.03193 0.00000 0.15859 -0.50268 0.00000 17 5PZ 0.00000 -0.16015 0.00000 0.00000 1.20229 18 6D 0 -0.00017 0.00000 0.00157 0.00144 0.00000 19 6D+1 0.00000 0.01127 0.00000 0.00000 -0.00162 20 6D-1 0.00000 -0.00945 0.00000 0.00000 0.00016 21 6D+2 -0.00008 0.00000 -0.00217 -0.00507 0.00000 22 6D-2 0.00039 0.00000 -0.00035 0.00168 0.00000 23 7D 0 0.00213 0.00000 -0.02123 -0.00778 0.00000 24 7D+1 0.00000 0.03736 0.00000 0.00000 -0.01229 25 7D-1 0.00000 -0.01530 0.00000 0.00000 -0.04744 26 7D+2 0.00358 0.00000 0.01386 -0.02535 0.00000 27 7D-2 0.00399 0.00000 -0.02305 0.02070 0.00000 28 2 C 1S 0.01848 0.00000 0.00500 0.02798 0.00000 29 2S 0.02993 0.00000 0.00873 0.04615 0.00000 30 2PX -0.01881 0.00000 -0.03765 -0.02941 0.00000 31 2PY 0.04587 0.00000 -0.02288 -0.05389 0.00000 32 2PZ 0.00000 0.21531 0.00000 0.00000 -0.03737 33 3S -0.10050 0.00000 -0.03393 -0.13966 0.00000 34 3PX -0.03466 0.00000 -0.05399 -0.06915 0.00000 35 3PY 0.06532 0.00000 -0.04451 -0.08491 0.00000 36 3PZ 0.00000 0.32707 0.00000 0.00000 -0.05646 37 4S -0.09450 0.00000 -0.18493 -0.48917 0.00000 38 4PX 0.03150 0.00000 0.12234 -0.03902 0.00000 39 4PY -0.00050 0.00000 -0.19550 -0.08264 0.00000 40 4PZ 0.00000 0.48261 0.00000 0.00000 -0.05288 41 5S -0.26412 0.00000 -0.22753 -5.68890 0.00000 42 5PX 0.10499 0.00000 0.34895 2.33775 0.00000 43 5PY -0.02342 0.00000 -0.03346 -0.27913 0.00000 44 5PZ 0.00000 0.30849 0.00000 0.00000 0.13789 45 6D 0 0.00090 0.00000 0.00360 -0.00288 0.00000 46 6D+1 0.00000 -0.00076 0.00000 0.00000 0.00512 47 6D-1 0.00000 0.01078 0.00000 0.00000 -0.00138 48 6D+2 0.00328 0.00000 -0.00002 0.00092 0.00000 49 6D-2 0.00377 0.00000 0.00285 0.00304 0.00000 50 7D 0 -0.01161 0.00000 0.02712 0.00340 0.00000 51 7D+1 0.00000 0.01114 0.00000 0.00000 0.00824 52 7D-1 0.00000 0.03480 0.00000 0.00000 0.02122 53 7D+2 0.00391 0.00000 -0.03577 0.00214 0.00000 54 7D-2 0.01009 0.00000 0.01610 0.00170 0.00000 55 3 O 1S -0.01241 0.00000 0.01182 -0.00163 0.00000 56 2S -0.02026 0.00000 0.01985 -0.00281 0.00000 57 2PX -0.06214 0.00000 0.00047 0.00021 0.00000 58 2PY -0.06800 0.00000 0.01450 0.01605 0.00000 59 2PZ 0.00000 -0.19393 0.00000 0.00000 -0.00525 60 3S 0.06260 0.00000 -0.07202 0.00994 0.00000 61 3PX -0.09079 0.00000 0.00249 -0.00671 0.00000 62 3PY -0.09720 0.00000 0.01577 0.02019 0.00000 63 3PZ 0.00000 -0.28433 0.00000 0.00000 -0.01764 64 4S 0.08932 0.00000 -0.12107 0.02918 0.00000 65 4PX -0.07927 0.00000 -0.00188 0.04838 0.00000 66 4PY -0.07988 0.00000 0.00485 0.04493 0.00000 67 4PZ 0.00000 -0.30528 0.00000 0.00000 0.04853 68 5S -0.04197 0.00000 -0.52397 0.14340 0.00000 69 5PX -0.10669 0.00000 -0.03003 -0.30219 0.00000 70 5PY 0.02102 0.00000 -0.16566 0.06022 0.00000 71 5PZ 0.00000 -0.21865 0.00000 0.00000 -0.24149 72 6D 0 0.00251 0.00000 -0.00057 -0.00025 0.00000 73 6D+1 0.00000 -0.00043 0.00000 0.00000 -0.00019 74 6D-1 0.00000 0.00238 0.00000 0.00000 -0.00109 75 6D+2 0.00553 0.00000 0.00070 0.00004 0.00000 76 6D-2 0.00216 0.00000 -0.00186 -0.00132 0.00000 77 7D 0 0.00501 0.00000 -0.00110 -0.00398 0.00000 78 7D+1 0.00000 0.00211 0.00000 0.00000 -0.00220 79 7D-1 0.00000 0.00716 0.00000 0.00000 0.00068 80 7D+2 0.02405 0.00000 0.00786 0.00189 0.00000 81 7D-2 0.01555 0.00000 -0.00647 -0.00885 0.00000 82 4 O 1S 0.00215 0.00000 -0.00260 0.00253 0.00000 83 2S 0.00364 0.00000 -0.00416 0.00444 0.00000 84 2PX 0.12802 0.00000 -0.04011 -0.02537 0.00000 85 2PY 0.26947 0.00000 0.01206 -0.01526 0.00000 86 2PZ 0.00000 0.11237 0.00000 0.00000 -0.01846 87 3S -0.01367 0.00000 0.01200 -0.01908 0.00000 88 3PX 0.18613 0.00000 -0.05949 -0.03832 0.00000 89 3PY 0.38583 0.00000 0.01659 -0.02543 0.00000 90 3PZ 0.00000 0.15907 0.00000 0.00000 -0.02376 91 4S -0.00494 0.00000 0.04604 0.00980 0.00000 92 4PX 0.16999 0.00000 -0.05774 -0.01151 0.00000 93 4PY 0.36965 0.00000 0.02283 -0.01715 0.00000 94 4PZ 0.00000 0.17804 0.00000 0.00000 -0.04534 95 5S 0.12690 0.00000 -0.01347 -0.01374 0.00000 96 5PX 0.00235 0.00000 -0.07150 -0.13603 0.00000 97 5PY 0.10900 0.00000 0.01531 -0.08583 0.00000 98 5PZ 0.00000 0.08667 0.00000 0.00000 0.10826 99 6D 0 0.00014 0.00000 0.00000 -0.00028 0.00000 100 6D+1 0.00000 0.00156 0.00000 0.00000 0.00016 101 6D-1 0.00000 -0.00021 0.00000 0.00000 0.00002 102 6D+2 -0.00232 0.00000 -0.00013 0.00028 0.00000 103 6D-2 -0.00152 0.00000 0.00012 -0.00012 0.00000 104 7D 0 -0.00053 0.00000 0.00289 0.00206 0.00000 105 7D+1 0.00000 0.00599 0.00000 0.00000 0.00242 106 7D-1 0.00000 0.00133 0.00000 0.00000 -0.00068 107 7D+2 -0.01375 0.00000 -0.00143 -0.00186 0.00000 108 7D-2 -0.00705 0.00000 0.00099 0.00458 0.00000 109 5 H 1S 0.00543 0.00000 -0.01739 0.00895 0.00000 110 2S 0.00293 0.00000 0.02474 0.12385 0.00000 111 3S 0.03228 0.00000 -0.19591 -0.02277 0.00000 112 4PX 0.00424 0.00000 0.00336 0.01187 0.00000 113 4PY -0.00063 0.00000 0.00512 0.00859 0.00000 114 4PZ 0.00000 0.02341 0.00000 0.00000 0.00251 115 6 H 1S -0.00207 -0.05122 -0.00493 0.00227 -0.01649 116 2S -0.00625 -0.10142 0.09779 0.02545 0.11602 117 3S -0.00761 -0.11495 -0.23940 -0.12112 -0.11593 118 4PX 0.00078 0.00308 0.00056 0.00687 0.00110 119 4PY 0.00053 0.00132 0.00684 -0.00181 0.00163 120 4PZ 0.00038 0.00330 0.01140 -0.00070 0.00397 121 7 H 1S -0.00207 0.05122 -0.00493 0.00227 0.01649 122 2S -0.00625 0.10142 0.09779 0.02545 -0.11602 123 3S -0.00761 0.11495 -0.23940 -0.12112 0.11593 124 4PX 0.00078 -0.00308 0.00056 0.00687 -0.00110 125 4PY 0.00053 -0.00132 0.00684 -0.00181 -0.00163 126 4PZ -0.00038 0.00330 -0.01140 0.00070 0.00397 127 8 H 1S -0.00222 0.00000 -0.00821 0.01331 0.00000 128 2S 0.00310 0.00000 0.04348 -0.06715 0.00000 129 3S -0.00424 0.00000 -0.24309 0.02912 0.00000 130 4PX 0.00230 0.00000 -0.00761 0.00793 0.00000 131 4PY -0.00215 0.00000 -0.00927 0.00106 0.00000 132 4PZ 0.00000 -0.00185 0.00000 0.00000 -0.00029 21 22 23 24 25 V V V V V Eigenvalues -- 0.03533 0.06261 0.06456 0.07003 0.08749 1 1 C 1S -0.00093 -0.01362 0.00207 -0.01155 0.00000 2 2S -0.00130 -0.02199 0.00341 -0.01875 0.00000 3 2PX 0.02614 0.04819 -0.01937 -0.04198 0.00000 4 2PY 0.03417 -0.00238 -0.06859 -0.03148 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 -0.01144 6 3S 0.00008 0.04833 -0.00723 0.04937 0.00000 7 3PX 0.03447 0.07832 -0.04153 -0.06576 0.00000 8 3PY 0.06989 -0.00613 -0.11621 -0.03781 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00210 10 4S 0.00121 0.47516 -0.11280 0.29614 0.00000 11 4PX 0.12362 0.22811 -0.05347 -0.34981 0.00000 12 4PY -0.02876 0.05540 -0.30656 -0.33334 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -0.32071 14 5S 5.29139 3.12564 3.44564 -4.27609 0.00000 15 5PX 1.61250 -0.09383 2.00467 -1.93464 0.00000 16 5PY -1.69506 -0.25276 1.31473 1.08968 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 -2.32548 18 6D 0 0.00731 -0.00521 0.00226 0.00301 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00285 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.01125 21 6D+2 -0.00323 0.00673 -0.00112 0.00028 0.00000 22 6D-2 0.00174 0.00470 0.00244 -0.01513 0.00000 23 7D 0 0.03099 -0.00998 -0.00971 -0.00944 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00969 25 7D-1 0.00000 0.00000 0.00000 0.00000 0.01907 26 7D+2 -0.01367 0.02736 -0.00576 -0.00866 0.00000 27 7D-2 0.00041 -0.00375 0.01363 -0.03597 0.00000 28 2 C 1S 0.01162 0.00725 -0.00886 -0.01321 0.00000 29 2S 0.02006 0.01237 -0.01494 -0.02237 0.00000 30 2PX 0.02298 -0.00907 0.05677 -0.04097 0.00000 31 2PY -0.01814 0.04730 0.03085 -0.03629 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 -0.07902 33 3S -0.08978 -0.03172 0.04182 0.07098 0.00000 34 3PX 0.03648 -0.00819 0.09547 -0.07206 0.00000 35 3PY -0.02733 0.07670 0.02897 -0.09484 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 -0.12840 37 4S 0.06595 -0.35749 0.29021 0.34154 0.00000 38 4PX 0.11116 0.12593 0.16894 -0.07879 0.00000 39 4PY -0.17309 0.30393 -0.04254 -0.12808 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 -0.15305 41 5S -3.75227 -2.49865 -2.63696 4.91608 0.00000 42 5PX 1.60277 1.92111 -0.02542 0.19722 0.00000 43 5PY -0.88415 -0.04073 -2.40398 -0.97604 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 2.45945 45 6D 0 0.00541 -0.00433 0.00556 0.00319 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00525 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00036 48 6D+2 0.00259 -0.00195 0.00585 0.01277 0.00000 49 6D-2 -0.00486 -0.01795 -0.00411 0.00995 0.00000 50 7D 0 0.01458 0.00653 0.00982 0.01682 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.01755 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.02286 53 7D+2 -0.00236 0.00165 -0.00429 0.02218 0.00000 54 7D-2 -0.04017 -0.02728 -0.03785 -0.01525 0.00000 55 3 O 1S 0.00778 -0.04019 -0.00588 0.02391 0.00000 56 2S 0.01322 -0.06701 -0.00953 0.04008 0.00000 57 2PX 0.03915 0.12842 0.06176 -0.04345 0.00000 58 2PY 0.00215 -0.02539 -0.04460 -0.02926 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.03400 60 3S -0.04881 0.23553 0.03211 -0.14042 0.00000 61 3PX 0.06357 0.18629 0.09298 -0.07164 0.00000 62 3PY 0.00218 -0.03351 -0.05734 -0.04092 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.03311 64 4S -0.10312 0.46130 0.03432 -0.26168 0.00000 65 4PX -0.00417 0.20333 0.08401 -0.05767 0.00000 66 4PY -0.02615 0.04960 -0.16662 -0.14160 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.15012 68 5S -0.08647 2.32390 -0.14406 -0.95181 0.00000 69 5PX 0.65429 0.60748 0.48815 -0.39574 0.00000 70 5PY -0.36647 -0.12261 -0.01476 0.33658 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00000 -0.47818 72 6D 0 0.00081 0.00385 0.00212 -0.00151 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00064 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00162 75 6D+2 -0.00046 -0.00166 -0.00163 -0.00033 0.00000 76 6D-2 0.00275 0.00632 0.00458 -0.00321 0.00000 77 7D 0 0.01403 0.01805 0.01933 0.00172 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00300 79 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00112 80 7D+2 -0.00522 -0.02779 -0.00446 0.00990 0.00000 81 7D-2 0.01081 0.03043 0.02153 -0.01843 0.00000 82 4 O 1S 0.01381 0.03336 0.01772 0.00286 0.00000 83 2S 0.02322 0.05546 0.02950 0.00536 0.00000 84 2PX 0.01372 0.15365 0.08642 -0.08193 0.00000 85 2PY -0.01501 -0.07541 -0.01189 0.02405 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 -0.05000 87 3S -0.08818 -0.19706 -0.10509 -0.02886 0.00000 88 3PX 0.01687 0.22680 0.12829 -0.11348 0.00000 89 3PY -0.02548 -0.11704 -0.01815 0.03197 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.00000 -0.07624 91 4S -0.03199 -0.24263 -0.12882 0.06656 0.00000 92 4PX 0.01558 0.24772 0.14622 -0.14310 0.00000 93 4PY 0.00444 -0.10418 -0.02219 0.05548 0.00000 94 4PZ 0.00000 0.00000 0.00000 0.00000 -0.06844 95 5S -1.27433 -1.81787 -0.93200 -0.06095 0.00000 96 5PX 0.29074 0.81672 0.33687 -0.20455 0.00000 97 5PY -0.25688 -0.53931 -0.16383 -0.10173 0.00000 98 5PZ 0.00000 0.00000 0.00000 0.00000 -0.03706 99 6D 0 0.00009 -0.00160 -0.00047 0.00072 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00003 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00044 102 6D+2 -0.00048 0.00150 0.00045 -0.00028 0.00000 103 6D-2 0.00032 -0.00221 -0.00075 0.00146 0.00000 104 7D 0 0.00077 -0.00982 -0.00050 0.00631 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00283 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00082 107 7D+2 0.00087 0.01616 0.00292 -0.00786 0.00000 108 7D-2 -0.00280 -0.00932 -0.00477 0.00979 0.00000 109 5 H 1S -0.02263 -0.03457 -0.01705 0.02185 0.00000 110 2S -0.01543 -0.05266 -0.09961 0.09016 0.00000 111 3S -0.27897 -0.50675 -0.10580 -0.00118 0.00000 112 4PX 0.00553 0.00247 -0.01461 0.00826 0.00000 113 4PY -0.00406 0.00515 -0.01105 -0.01591 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00587 115 6 H 1S 0.01980 -0.02559 -0.00349 0.01266 0.04211 116 2S 0.02436 -0.06830 0.08061 0.00932 0.06965 117 3S 0.11797 -0.29822 -0.12025 0.51254 0.88003 118 4PX 0.00755 0.00051 0.00223 -0.01200 0.00732 119 4PY -0.00720 0.00156 0.00059 -0.00425 0.00160 120 4PZ 0.00282 -0.00129 0.00414 -0.00243 -0.00363 121 7 H 1S 0.01980 -0.02559 -0.00349 0.01266 -0.04211 122 2S 0.02436 -0.06830 0.08061 0.00932 -0.06965 123 3S 0.11797 -0.29822 -0.12025 0.51254 -0.88003 124 4PX 0.00755 0.00051 0.00223 -0.01200 -0.00732 125 4PY -0.00720 0.00156 0.00059 -0.00425 -0.00160 126 4PZ -0.00282 0.00129 -0.00414 0.00243 -0.00363 127 8 H 1S -0.01916 0.02202 0.01817 -0.05866 0.00000 128 2S 0.02906 0.07403 -0.07047 -0.23960 0.00000 129 3S -0.38771 0.18833 0.07982 -0.65923 0.00000 130 4PX -0.00052 -0.00592 0.00741 -0.00185 0.00000 131 4PY -0.00782 0.00580 0.00167 0.00870 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 -0.01118 26 27 28 29 30 V V V V V Eigenvalues -- 0.11341 0.11536 0.13501 0.15984 0.20067 1 1 C 1S 0.00000 -0.00394 -0.01405 0.02790 -0.03856 2 2S 0.00000 -0.00675 -0.02337 0.04607 -0.06117 3 2PX 0.00000 0.04892 -0.03706 -0.06102 -0.10098 4 2PY 0.00000 0.08509 0.05459 0.07647 0.01671 5 2PZ -0.13422 0.00000 0.00000 0.00000 0.00000 6 3S 0.00000 0.02119 0.07075 -0.12524 0.13279 7 3PX 0.00000 0.08360 -0.06431 -0.12418 -0.12810 8 3PY 0.00000 0.10012 0.06082 0.12129 0.00948 9 3PZ -0.15610 0.00000 0.00000 0.00000 0.00000 10 4S 0.00000 0.35769 0.30576 -1.02206 1.90771 11 4PX 0.00000 0.58262 -0.18772 -0.59170 -1.03885 12 4PY 0.00000 1.15667 0.51136 0.36417 0.19876 13 4PZ -1.35568 0.00000 0.00000 0.00000 0.00000 14 5S 0.00000 8.43113 -34.06790 12.98636 25.01717 15 5PX 0.00000 2.59029 -8.57907 3.58441 5.93764 16 5PY 0.00000 0.96620 4.12883 -1.39493 -2.80155 17 5PZ -0.50709 0.00000 0.00000 0.00000 0.00000 18 6D 0 0.00000 -0.01492 -0.00665 -0.00754 -0.00555 19 6D+1 0.00305 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.01694 0.00000 0.00000 0.00000 0.00000 21 6D+2 0.00000 -0.00319 0.00475 0.01259 0.01088 22 6D-2 0.00000 0.00542 0.00358 0.00362 -0.01168 23 7D 0 0.00000 0.02469 -0.00156 -0.02085 -0.00349 24 7D+1 -0.00579 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00270 0.00000 0.00000 0.00000 0.00000 26 7D+2 0.00000 0.01246 0.01132 -0.01901 0.00552 27 7D-2 0.00000 -0.00513 0.02842 0.01594 0.01511 28 2 C 1S 0.00000 0.00405 0.00219 -0.04598 -0.01851 29 2S 0.00000 0.00677 0.00470 -0.07566 -0.03010 30 2PX 0.00000 -0.01550 -0.00257 0.01373 -0.02441 31 2PY 0.00000 -0.01403 0.01794 0.07153 0.01597 32 2PZ 0.07717 0.00000 0.00000 0.00000 0.00000 33 3S 0.00000 -0.04458 -0.04727 0.21935 0.06523 34 3PX 0.00000 0.00203 -0.01429 -0.02055 -0.04858 35 3PY 0.00000 0.01919 0.02899 0.08596 0.03124 36 3PZ 0.08016 0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 0.38949 0.66886 1.04933 1.41854 38 4PX 0.00000 0.07684 -0.05173 -0.13060 -0.28386 39 4PY 0.00000 -0.64002 -0.19751 1.08266 -0.31470 40 4PZ 0.56845 0.00000 0.00000 0.00000 0.00000 41 5S 0.00000 -7.86000 34.96989 -12.21942 -21.10741 42 5PX 0.00000 2.39568 -9.77686 4.88431 5.06900 43 5PY 0.00000 -2.90053 3.84746 -1.20724 -2.01750 44 5PZ -0.30936 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00000 -0.00800 0.00646 0.01429 -0.00267 46 6D+1 0.01326 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00336 0.00000 0.00000 0.00000 0.00000 48 6D+2 0.00000 -0.00511 -0.00685 -0.01395 0.00031 49 6D-2 0.00000 -0.00580 -0.00688 0.00377 0.00446 50 7D 0 0.00000 -0.08138 0.01781 0.04300 -0.04649 51 7D+1 -0.00254 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.04850 0.00000 0.00000 0.00000 0.00000 53 7D+2 0.00000 -0.00996 -0.04575 0.02482 -0.05286 54 7D-2 0.00000 0.11165 -0.02059 -0.04672 -0.02643 55 3 O 1S 0.00000 0.01442 0.00008 0.01343 -0.00214 56 2S 0.00000 0.02390 0.00075 0.02233 -0.00399 57 2PX 0.00000 -0.02286 0.00992 -0.08431 -0.02844 58 2PY 0.00000 0.06404 0.01437 -0.01339 0.00899 59 2PZ 0.01963 0.00000 0.00000 0.00000 0.00000 60 3S 0.00000 -0.08098 -0.01558 -0.07571 0.02678 61 3PX 0.00000 -0.04265 0.01718 -0.11776 -0.03194 62 3PY 0.00000 0.09323 0.02190 -0.02362 0.00552 63 3PZ 0.02770 0.00000 0.00000 0.00000 0.00000 64 4S 0.00000 -0.29365 0.02854 -0.09016 -0.20848 65 4PX 0.00000 0.06287 0.00956 -0.26754 -0.13639 66 4PY 0.00000 0.03570 -0.03964 0.08309 -0.06135 67 4PZ 0.05417 0.00000 0.00000 0.00000 0.00000 68 5S 0.00000 -2.38377 -3.17062 3.43927 0.19743 69 5PX 0.00000 -1.19997 -0.27725 1.05877 1.09956 70 5PY 0.00000 -0.32528 -0.40723 0.61772 -1.10248 71 5PZ -0.43962 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.00000 -0.00313 0.00148 0.00012 -0.00214 73 6D+1 0.00112 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00192 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00116 -0.00070 0.00139 -0.00044 76 6D-2 0.00000 -0.00178 0.00157 -0.00293 -0.00188 77 7D 0 0.00000 -0.00838 0.01671 0.00050 0.00014 78 7D+1 0.01236 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.01694 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00148 -0.00175 0.00040 -0.00649 81 7D-2 0.00000 0.01092 0.01005 -0.02610 -0.00489 82 4 O 1S 0.00000 -0.00080 -0.00021 -0.01114 -0.00541 83 2S 0.00000 -0.00085 -0.00078 -0.01789 -0.00860 84 2PX 0.00000 -0.07076 0.04164 -0.08026 -0.00931 85 2PY 0.00000 0.03615 0.01061 0.03424 0.04475 86 2PZ 0.02156 0.00000 0.00000 0.00000 0.00000 87 3S 0.00000 -0.00711 0.01123 0.04794 0.01778 88 3PX 0.00000 -0.10051 0.06382 -0.12374 -0.02544 89 3PY 0.00000 0.04239 0.01077 0.05544 0.05302 90 3PZ 0.02453 0.00000 0.00000 0.00000 0.00000 91 4S 0.00000 0.09698 -0.09164 0.26284 0.18914 92 4PX 0.00000 -0.13461 0.04974 -0.16658 -0.03435 93 4PY 0.00000 0.11157 0.04160 0.05948 0.17817 94 4PZ 0.06226 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 1.08070 1.63603 -2.59570 -1.57780 96 5PX 0.00000 -0.49205 -0.35091 0.46864 0.34505 97 5PY 0.00000 0.13747 0.30976 -0.46927 -0.28138 98 5PZ 0.08889 0.00000 0.00000 0.00000 0.00000 99 6D 0 0.00000 -0.00004 0.00066 0.00180 -0.00002 100 6D+1 -0.00002 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00027 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 -0.00184 -0.00069 -0.00012 -0.00020 103 6D-2 0.00000 0.00058 0.00037 0.00126 0.00103 104 7D 0 0.00000 0.00466 0.00587 0.00496 -0.00666 105 7D+1 -0.00174 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00325 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00000 -0.00655 -0.00304 0.00245 0.00198 108 7D-2 0.00000 0.00371 -0.00500 0.00214 -0.00907 109 5 H 1S 0.00000 0.01320 -0.05394 -0.07944 0.01407 110 2S 0.00000 -0.15688 -0.01026 -0.12777 0.06002 111 3S 0.00000 1.16475 -1.09518 -2.43011 0.38546 112 4PX 0.00000 0.02424 -0.00977 -0.02704 -0.00937 113 4PY 0.00000 0.01511 0.00796 -0.00992 0.00181 114 4PZ 0.00646 0.00000 0.00000 0.00000 0.00000 115 6 H 1S 0.04913 -0.02467 -0.02634 -0.01908 -0.04604 116 2S 0.24057 -0.13978 -0.15064 -0.03842 -0.02335 117 3S 1.81110 -1.13303 -0.13430 -0.34427 -2.49126 118 4PX 0.00779 -0.00219 0.00274 -0.00305 -0.01013 119 4PY 0.01035 0.01801 -0.00229 0.00409 -0.00753 120 4PZ 0.00192 -0.01083 -0.00913 -0.00111 -0.00864 121 7 H 1S -0.04913 -0.02467 -0.02634 -0.01908 -0.04604 122 2S -0.24057 -0.13978 -0.15064 -0.03842 -0.02335 123 3S -1.81110 -1.13303 -0.13430 -0.34427 -2.49126 124 4PX -0.00779 -0.00219 0.00274 -0.00305 -0.01013 125 4PY -0.01035 0.01801 -0.00229 0.00409 -0.00753 126 4PZ 0.00192 0.01083 0.00913 0.00111 0.00864 127 8 H 1S 0.00000 0.04370 0.02737 0.03928 -0.05727 128 2S 0.00000 0.29840 -0.02327 0.00953 -0.14001 129 3S 0.00000 1.65752 1.14283 0.81433 -2.82373 130 4PX 0.00000 0.01620 -0.00517 -0.02502 -0.00442 131 4PY 0.00000 -0.00931 0.00574 0.00487 0.01648 132 4PZ -0.02083 0.00000 0.00000 0.00000 0.00000 31 32 33 34 35 V V V V V Eigenvalues -- 0.20475 0.22274 0.22705 0.24411 0.25076 1 1 C 1S -0.02882 -0.01354 0.00000 -0.02745 0.00000 2 2S -0.04681 -0.02123 0.00000 -0.04208 0.00000 3 2PX 0.03410 0.02158 0.00000 0.03461 0.00000 4 2PY 0.01437 0.05127 0.00000 0.01296 0.00000 5 2PZ 0.00000 0.00000 0.04889 0.00000 -0.08392 6 3S 0.11098 0.05283 0.00000 -0.00232 0.00000 7 3PX 0.09774 -0.00670 0.00000 0.09616 0.00000 8 3PY 0.00581 0.07095 0.00000 -0.00421 0.00000 9 3PZ 0.00000 0.00000 0.06719 0.00000 -0.11623 10 4S 1.65505 -0.20605 0.00000 3.09583 0.00000 11 4PX 0.42847 -0.26700 0.00000 1.72383 0.00000 12 4PY 0.06347 0.50122 0.00000 -0.91066 0.00000 13 4PZ 0.00000 0.00000 0.21134 0.00000 -0.23125 14 5S 10.57527 5.66709 0.00000 -7.60266 0.00000 15 5PX 2.09882 1.99348 0.00000 -2.92614 0.00000 16 5PY -0.60176 0.74530 0.00000 0.65947 0.00000 17 5PZ 0.00000 0.00000 -0.25682 0.00000 -1.23365 18 6D 0 0.00116 -0.00243 0.00000 0.01545 0.00000 19 6D+1 0.00000 0.00000 0.00187 0.00000 -0.00312 20 6D-1 0.00000 0.00000 -0.00410 0.00000 0.00236 21 6D+2 -0.00536 0.00202 0.00000 -0.01662 0.00000 22 6D-2 0.00197 0.00502 0.00000 0.01587 0.00000 23 7D 0 0.00475 -0.02497 0.00000 -0.07688 0.00000 24 7D+1 0.00000 0.00000 0.00722 0.00000 0.02899 25 7D-1 0.00000 0.00000 -0.02642 0.00000 0.04528 26 7D+2 -0.00171 -0.03171 0.00000 0.03414 0.00000 27 7D-2 -0.03074 0.04736 0.00000 -0.10327 0.00000 28 2 C 1S -0.00340 0.03741 0.00000 0.01708 0.00000 29 2S -0.00603 0.06088 0.00000 0.02819 0.00000 30 2PX 0.08901 -0.06314 0.00000 0.13115 0.00000 31 2PY -0.01151 -0.01134 0.00000 -0.03761 0.00000 32 2PZ 0.00000 0.00000 -0.02413 0.00000 -0.02766 33 3S 0.03348 -0.13500 0.00000 0.00773 0.00000 34 3PX 0.11845 -0.05699 0.00000 0.25159 0.00000 35 3PY -0.05161 -0.00725 0.00000 -0.11655 0.00000 36 3PZ 0.00000 0.00000 -0.07871 0.00000 -0.01157 37 4S 0.09308 -1.98132 0.00000 -3.14524 0.00000 38 4PX 0.93246 -1.32494 0.00000 2.19281 0.00000 39 4PY -0.42357 0.51088 0.00000 -0.03866 0.00000 40 4PZ 0.00000 0.00000 0.07493 0.00000 -0.32101 41 5S -8.91335 -4.47335 0.00000 7.64015 0.00000 42 5PX 3.26340 -0.51540 0.00000 -2.01278 0.00000 43 5PY -0.87419 -2.66130 0.00000 2.54817 0.00000 44 5PZ 0.00000 0.00000 1.35467 0.00000 0.12602 45 6D 0 -0.00106 -0.00308 0.00000 -0.00385 0.00000 46 6D+1 0.00000 0.00000 -0.00395 0.00000 -0.00047 47 6D-1 0.00000 0.00000 0.00023 0.00000 0.00270 48 6D+2 0.01396 -0.00970 0.00000 0.01120 0.00000 49 6D-2 -0.01260 0.00587 0.00000 0.00009 0.00000 50 7D 0 0.02362 0.00987 0.00000 0.11716 0.00000 51 7D+1 0.00000 0.00000 -0.00456 0.00000 0.00834 52 7D-1 0.00000 0.00000 0.02681 0.00000 -0.02522 53 7D+2 -0.02836 0.06665 0.00000 -0.04820 0.00000 54 7D-2 0.01575 -0.05581 0.00000 0.05626 0.00000 55 3 O 1S 0.00350 -0.01470 0.00000 0.01849 0.00000 56 2S 0.00619 -0.02399 0.00000 0.03079 0.00000 57 2PX 0.03323 -0.03135 0.00000 -0.07822 0.00000 58 2PY -0.04321 0.01739 0.00000 -0.00634 0.00000 59 2PZ 0.00000 0.00000 0.06491 0.00000 -0.08151 60 3S -0.03029 0.06466 0.00000 -0.09938 0.00000 61 3PX 0.03927 -0.03394 0.00000 -0.10690 0.00000 62 3PY -0.06584 0.04837 0.00000 -0.01846 0.00000 63 3PZ 0.00000 0.00000 0.06732 0.00000 -0.08018 64 4S -0.07501 0.53411 0.00000 -0.30468 0.00000 65 4PX 0.28665 -0.15522 0.00000 -0.43022 0.00000 66 4PY -0.25078 0.13603 0.00000 0.18876 0.00000 67 4PZ 0.00000 0.00000 0.27517 0.00000 -0.39208 68 5S -3.93161 2.94171 0.00000 3.66819 0.00000 69 5PX -2.56091 2.55374 0.00000 -0.03212 0.00000 70 5PY 0.56612 0.99589 0.00000 0.82872 0.00000 71 5PZ 0.00000 0.00000 -0.92412 0.00000 2.30085 72 6D 0 0.00227 0.00288 0.00000 -0.00141 0.00000 73 6D+1 0.00000 0.00000 0.00256 0.00000 -0.00045 74 6D-1 0.00000 0.00000 -0.00041 0.00000 -0.00231 75 6D+2 -0.00480 0.00257 0.00000 0.00303 0.00000 76 6D-2 0.00475 -0.00358 0.00000 0.00038 0.00000 77 7D 0 -0.00671 0.00786 0.00000 -0.00904 0.00000 78 7D+1 0.00000 0.00000 0.00355 0.00000 -0.01532 79 7D-1 0.00000 0.00000 0.00972 0.00000 -0.01867 80 7D+2 0.01764 0.00814 0.00000 -0.00037 0.00000 81 7D-2 0.01479 -0.02433 0.00000 0.00788 0.00000 82 4 O 1S -0.00299 -0.00120 0.00000 0.00016 0.00000 83 2S -0.00542 -0.00186 0.00000 0.00035 0.00000 84 2PX 0.05457 -0.04229 0.00000 -0.10090 0.00000 85 2PY -0.10085 -0.05432 0.00000 0.04462 0.00000 86 2PZ 0.00000 0.00000 0.10918 0.00000 0.05667 87 3S 0.03495 0.00479 0.00000 -0.00623 0.00000 88 3PX 0.07436 -0.04926 0.00000 -0.12176 0.00000 89 3PY -0.10967 -0.05220 0.00000 0.04864 0.00000 90 3PZ 0.00000 0.00000 0.10097 0.00000 0.04725 91 4S -0.16040 0.03892 0.00000 0.06813 0.00000 92 4PX 0.28355 -0.13002 0.00000 -0.44827 0.00000 93 4PY -0.42642 -0.22764 0.00000 0.19004 0.00000 94 4PZ 0.00000 0.00000 0.46544 0.00000 0.28420 95 5S 4.06071 -3.36418 0.00000 -0.49458 0.00000 96 5PX -1.91411 1.16793 0.00000 1.15016 0.00000 97 5PY 1.64364 -0.21552 0.00000 -0.91578 0.00000 98 5PZ 0.00000 0.00000 -1.10272 0.00000 -1.66214 99 6D 0 -0.00092 0.00092 0.00000 0.00193 0.00000 100 6D+1 0.00000 0.00000 -0.00185 0.00000 -0.00128 101 6D-1 0.00000 0.00000 0.00123 0.00000 0.00046 102 6D+2 0.00167 0.00135 0.00000 -0.00357 0.00000 103 6D-2 -0.00028 -0.00018 0.00000 0.00092 0.00000 104 7D 0 0.01348 0.00501 0.00000 -0.01073 0.00000 105 7D+1 0.00000 0.00000 -0.01047 0.00000 -0.01500 106 7D-1 0.00000 0.00000 0.00978 0.00000 0.00130 107 7D+2 -0.00746 0.00125 0.00000 0.01152 0.00000 108 7D-2 0.02672 -0.00240 0.00000 -0.01038 0.00000 109 5 H 1S -0.01963 0.03930 0.00000 0.01106 0.00000 110 2S 0.01048 0.24664 0.00000 0.10773 0.00000 111 3S -1.27274 1.70913 0.00000 -1.83200 0.00000 112 4PX 0.00714 0.00045 0.00000 -0.00835 0.00000 113 4PY -0.03007 0.01168 0.00000 -0.03343 0.00000 114 4PZ 0.00000 0.00000 -0.00472 0.00000 -0.00057 115 6 H 1S -0.00875 -0.02845 -0.01918 0.01581 0.01706 116 2S 0.03316 -0.00043 -0.00620 0.14290 -0.12343 117 3S -1.15821 -1.30353 -0.61346 -0.50999 1.24010 118 4PX 0.00380 0.00469 0.00923 0.01512 -0.00381 119 4PY -0.00099 -0.00567 -0.01084 -0.01047 0.01531 120 4PZ -0.00832 -0.00849 -0.00455 -0.00464 0.01353 121 7 H 1S -0.00875 -0.02845 0.01918 0.01581 -0.01706 122 2S 0.03316 -0.00043 0.00620 0.14290 0.12343 123 3S -1.15821 -1.30353 0.61346 -0.50999 -1.24010 124 4PX 0.00380 0.00469 -0.00923 0.01512 0.00381 125 4PY -0.00099 -0.00567 0.01084 -0.01047 -0.01531 126 4PZ 0.00832 0.00849 -0.00455 0.00464 0.01353 127 8 H 1S -0.01459 0.01234 0.00000 -0.00407 0.00000 128 2S 0.05316 0.03028 0.00000 -0.03676 0.00000 129 3S -0.85790 0.27045 0.00000 -0.36135 0.00000 130 4PX 0.01030 -0.01148 0.00000 0.01084 0.00000 131 4PY -0.00337 -0.00201 0.00000 -0.00948 0.00000 132 4PZ 0.00000 0.00000 0.00348 0.00000 -0.00116 36 37 38 39 40 V V V V V Eigenvalues -- 0.26894 0.28554 0.31621 0.34618 0.38988 1 1 C 1S -0.01610 0.00176 0.00476 0.00495 0.00000 2 2S -0.02552 0.00456 0.00853 0.00703 0.00000 3 2PX 0.08606 -0.03029 -0.04399 0.05778 0.00000 4 2PY -0.03903 -0.03727 0.04423 0.03732 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.04888 6 3S 0.05222 -0.05538 -0.05397 0.01727 0.00000 7 3PX 0.11501 -0.05706 -0.02806 0.09028 0.00000 8 3PY -0.05271 -0.01412 0.07082 -0.00810 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.01805 10 4S 0.74033 0.49937 0.29974 -0.15106 0.00000 11 4PX 0.95342 0.41943 -0.47109 0.36833 0.00000 12 4PY -0.76014 -0.71676 0.23144 0.46656 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -1.50779 14 5S 10.02694 -15.59058 21.11017 -18.24757 0.00000 15 5PX 2.13768 -4.22449 4.48714 -3.36707 0.00000 16 5PY -0.83372 1.81035 -1.64884 3.05148 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 1.68831 18 6D 0 0.00880 0.00525 -0.00058 -0.00051 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00120 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.02451 21 6D+2 -0.00272 0.00117 -0.00138 -0.00669 0.00000 22 6D-2 0.01799 0.01270 -0.00445 -0.01349 0.00000 23 7D 0 -0.06271 -0.04597 0.01730 0.02340 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.12875 25 7D-1 0.00000 0.00000 0.00000 0.00000 -0.10080 26 7D+2 0.03049 0.01850 -0.02638 -0.03176 0.00000 27 7D-2 0.04570 -0.01091 -0.04963 -0.06367 0.00000 28 2 C 1S 0.02561 0.01112 0.01183 -0.02966 0.00000 29 2S 0.04448 0.02152 0.01645 -0.05161 0.00000 30 2PX 0.07408 0.03483 -0.01536 -0.00819 0.00000 31 2PY 0.03385 0.08131 0.06496 -0.07864 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.03998 33 3S -0.12520 -0.10591 0.04427 0.10389 0.00000 34 3PX 0.13114 0.07371 -0.04674 -0.07242 0.00000 35 3PY 0.03779 0.13081 0.07323 -0.25541 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.06835 37 4S -0.96661 0.12279 -2.19512 4.04862 0.00000 38 4PX 0.89282 0.85929 -0.06493 0.65167 0.00000 39 4PY 0.19449 0.54180 0.87498 -3.16038 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.33556 41 5S -8.11440 16.84343 -20.77807 20.64453 0.00000 42 5PX 3.95394 -3.48108 7.70758 -5.49583 0.00000 43 5PY -2.23848 0.55801 -3.06575 0.09097 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -0.76619 45 6D 0 -0.01457 -0.01083 0.00536 0.00189 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.01358 47 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00918 48 6D+2 -0.00643 -0.02057 -0.00529 0.02573 0.00000 49 6D-2 -0.00426 0.00430 0.00532 0.00870 0.00000 50 7D 0 -0.03125 -0.05502 0.02706 -0.13311 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.04451 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.16557 53 7D+2 -0.01866 -0.07940 -0.03596 -0.16532 0.00000 54 7D-2 -0.05601 0.04277 0.03916 -0.14225 0.00000 55 3 O 1S -0.02172 -0.02193 -0.00860 -0.00457 0.00000 56 2S -0.03515 -0.03543 -0.01371 -0.00868 0.00000 57 2PX -0.09539 -0.02567 0.08022 0.01148 0.00000 58 2PY 0.04622 0.09525 0.00919 -0.12920 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.02584 60 3S 0.08608 0.09122 0.02605 0.08112 0.00000 61 3PX -0.10867 -0.03586 0.08822 0.03434 0.00000 62 3PY 0.08784 0.14873 0.02113 -0.16432 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 -0.02191 64 4S 0.77286 0.84564 0.43078 -0.86704 0.00000 65 4PX -0.37165 -0.17129 0.51334 -0.10063 0.00000 66 4PY 0.04639 0.28450 0.01608 -1.27773 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 -0.05653 68 5S -4.29052 -2.17032 0.50384 -8.73669 0.00000 69 5PX -0.18593 -0.91347 -3.28620 -0.06356 0.00000 70 5PY 0.85133 -1.14594 4.10883 -1.77732 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.44670 72 6D 0 -0.00018 -0.00517 0.00401 -0.00901 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00046 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00224 75 6D+2 -0.00064 0.00432 0.00554 -0.00573 0.00000 76 6D-2 0.00328 -0.00267 0.00185 -0.00319 0.00000 77 7D 0 -0.00512 -0.00325 0.00058 0.01306 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.01197 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.02284 80 7D+2 0.00621 0.00395 0.03633 0.03761 0.00000 81 7D-2 -0.01477 0.00554 -0.00655 -0.00997 0.00000 82 4 O 1S -0.00863 -0.02151 -0.01279 -0.00884 0.00000 83 2S -0.01433 -0.03356 -0.02028 -0.01288 0.00000 84 2PX 0.02162 -0.05858 0.06948 0.02080 0.00000 85 2PY 0.03149 -0.01399 0.01788 0.00243 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00062 87 3S 0.05059 0.06153 0.05366 -0.00139 0.00000 88 3PX 0.00189 -0.06506 0.08389 0.03272 0.00000 89 3PY 0.02564 -0.00251 0.00198 -0.00306 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00698 91 4S 0.13708 0.88686 0.36182 0.66537 0.00000 92 4PX 0.18043 -0.34413 0.40122 -0.04156 0.00000 93 4PY 0.17403 -0.03471 0.08121 0.13960 0.00000 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.03364 95 5S 1.61552 -1.12714 2.28427 0.15998 0.00000 96 5PX -2.24166 1.16390 -2.02038 0.27981 0.00000 97 5PY -0.32155 0.47071 -1.35626 0.01091 0.00000 98 5PZ 0.00000 0.00000 0.00000 0.00000 -0.25678 99 6D 0 0.00106 -0.00143 -0.00281 -0.00351 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00034 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00020 102 6D+2 -0.00223 0.00190 0.00143 0.00368 0.00000 103 6D-2 0.00079 -0.00127 -0.00706 0.00021 0.00000 104 7D 0 0.01223 -0.00829 0.01233 -0.02120 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00641 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00433 107 7D+2 -0.02678 0.01388 -0.01591 0.00201 0.00000 108 7D-2 0.00465 -0.01286 -0.00009 -0.02078 0.00000 109 5 H 1S 0.01958 0.01326 0.02277 0.04127 0.00000 110 2S 0.11782 -0.04905 0.07634 0.34377 0.00000 111 3S -0.91263 -1.10152 0.07250 0.00188 0.00000 112 4PX -0.01057 -0.01509 -0.01468 -0.00461 0.00000 113 4PY -0.00325 0.02583 0.00739 -0.02594 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00242 115 6 H 1S 0.00290 0.00446 -0.00582 0.02672 0.06582 116 2S 0.12792 -0.02601 -0.03848 0.14318 1.33092 117 3S 0.17628 1.07281 -0.66758 -0.08101 -1.63598 118 4PX 0.01431 0.00360 -0.00974 -0.00002 0.01931 119 4PY -0.01220 -0.00165 0.00301 -0.00456 -0.03058 120 4PZ 0.00198 0.00901 -0.00319 -0.00807 -0.06585 121 7 H 1S 0.00290 0.00446 -0.00582 0.02672 -0.06582 122 2S 0.12792 -0.02601 -0.03848 0.14318 -1.33092 123 3S 0.17628 1.07281 -0.66758 -0.08101 1.63598 124 4PX 0.01431 0.00360 -0.00974 -0.00002 -0.01931 125 4PY -0.01220 -0.00165 0.00301 -0.00456 0.03058 126 4PZ -0.00198 -0.00901 0.00319 0.00807 -0.06585 127 8 H 1S 0.04291 0.02581 -0.03415 -0.01625 0.00000 128 2S 0.11513 0.17483 -0.08516 -0.29466 0.00000 129 3S -0.15701 -0.58375 -1.28375 2.65613 0.00000 130 4PX -0.00930 0.01508 0.00781 -0.01950 0.00000 131 4PY 0.00074 0.00610 -0.01112 -0.01518 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 -0.03437 41 42 43 44 45 V V V V V Eigenvalues -- 0.39417 0.42227 0.44995 0.49862 0.50335 1 1 C 1S -0.00591 0.01381 0.02211 0.02438 0.00000 2 2S -0.00962 0.02279 0.04211 0.04444 0.00000 3 2PX 0.08472 -0.05811 -0.14319 -0.12901 0.00000 4 2PY 0.04745 0.02964 0.08733 -0.04394 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.11529 6 3S 0.03135 -0.04876 -0.23157 -0.19280 0.00000 7 3PX 0.05614 -0.05380 -0.27829 -0.29540 0.00000 8 3PY 0.03613 0.01048 0.19251 -0.19371 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.30928 10 4S -0.72471 -0.39749 1.10347 -0.03068 0.00000 11 4PX -1.23781 -0.83991 1.57911 1.60435 0.00000 12 4PY -2.07944 0.00277 -1.49401 0.30258 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 -1.13224 14 5S 0.72610 -12.85197 5.70071 2.29062 0.00000 15 5PX 0.89216 -3.13444 1.14559 0.16792 0.00000 16 5PY 0.97779 1.08424 0.69876 -0.05221 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.63825 18 6D 0 0.01941 -0.00175 0.01339 0.00985 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.01205 20 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00792 21 6D+2 0.01126 0.00594 -0.00524 -0.01461 0.00000 22 6D-2 -0.00128 -0.00963 0.01171 -0.00509 0.00000 23 7D 0 -0.12282 -0.03984 -0.06679 -0.07587 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.04026 25 7D-1 0.00000 0.00000 0.00000 0.00000 -0.04142 26 7D+2 0.04884 -0.00275 0.34231 -0.03702 0.00000 27 7D-2 0.24508 -0.03100 -0.04761 -0.29696 0.00000 28 2 C 1S 0.02366 -0.00553 -0.03232 -0.01161 0.00000 29 2S 0.04237 -0.01014 -0.05384 -0.01663 0.00000 30 2PX 0.00456 -0.05745 -0.04205 -0.12435 0.00000 31 2PY 0.05216 0.10662 -0.03941 -0.04478 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 -0.23013 33 3S -0.09142 0.04108 0.17159 0.14834 0.00000 34 3PX -0.10866 -0.16712 0.16108 -0.15829 0.00000 35 3PY 0.06430 0.12925 -0.14434 -0.05697 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 -0.80265 37 4S -1.33033 1.53102 -1.09155 -2.92858 0.00000 38 4PX -0.70275 0.38423 1.02427 -0.49222 0.00000 39 4PY 2.01804 -0.12218 0.16661 1.13160 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00000 1.82979 41 5S -1.24238 12.65169 -5.55116 -1.59903 0.00000 42 5PX 0.12466 -4.15214 1.38745 1.09883 0.00000 43 5PY -0.23932 2.47625 -2.14434 0.10190 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00000 -1.18084 45 6D 0 -0.01737 -0.00715 0.01662 -0.00244 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00668 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00649 48 6D+2 -0.00678 -0.00555 -0.01664 -0.00102 0.00000 49 6D-2 0.01191 0.00763 0.00065 0.02592 0.00000 50 7D 0 0.10877 -0.06843 0.33116 0.17497 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00438 52 7D-1 0.00000 0.00000 0.00000 0.00000 0.20383 53 7D+2 0.03848 -0.15125 -0.04717 0.09515 0.00000 54 7D-2 -0.32151 -0.06506 0.23116 0.31716 0.00000 55 3 O 1S -0.00523 -0.01765 0.00393 0.00107 0.00000 56 2S -0.00831 -0.02839 0.00791 0.00344 0.00000 57 2PX 0.00662 0.02417 0.00647 0.08101 0.00000 58 2PY 0.09586 0.03157 -0.06741 -0.01308 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.01685 60 3S 0.00482 0.07113 -0.06401 -0.06095 0.00000 61 3PX -0.00551 0.04456 -0.00324 0.13814 0.00000 62 3PY 0.12503 0.06116 -0.07401 -0.04322 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.05755 64 4S 0.65397 0.49361 0.77215 0.88211 0.00000 65 4PX -0.13275 0.02357 0.24060 0.16208 0.00000 66 4PY 0.65857 -0.25377 -0.16951 0.72373 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 -0.14871 68 5S 7.48339 -17.77475 -2.83183 5.48425 0.00000 69 5PX 2.98056 -7.77109 -0.76652 2.33725 0.00000 70 5PY -1.20936 2.75310 -0.14571 -0.33965 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00000 -0.11674 72 6D 0 0.00238 -0.00145 -0.00168 0.00372 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00179 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00475 75 6D+2 0.00217 0.00243 -0.00690 0.00181 0.00000 76 6D-2 0.00411 -0.00009 -0.00334 -0.00858 0.00000 77 7D 0 -0.00652 -0.00043 -0.01756 -0.02060 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.01843 79 7D-1 0.00000 0.00000 0.00000 0.00000 -0.03079 80 7D+2 0.00889 0.05055 0.00237 -0.04447 0.00000 81 7D-2 -0.02954 -0.02075 -0.00828 -0.02521 0.00000 82 4 O 1S -0.00289 0.02526 -0.00122 0.00349 0.00000 83 2S -0.00465 0.03915 -0.00259 0.00523 0.00000 84 2PX -0.00186 -0.04462 0.00927 0.04995 0.00000 85 2PY -0.00337 -0.00695 0.01027 0.02289 0.00000 86 2PZ 0.00000 0.00000 0.00000 0.00000 -0.03496 87 3S 0.01451 -0.05969 0.02957 -0.00325 0.00000 88 3PX -0.01065 -0.02960 0.01762 0.06743 0.00000 89 3PY 0.00113 -0.02341 0.01189 0.04170 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.00000 -0.06574 91 4S 0.09484 -1.22488 -0.15291 -0.23996 0.00000 92 4PX 0.03350 -0.23709 0.19468 0.17223 0.00000 93 4PY -0.03943 0.05225 -0.06795 -0.09492 0.00000 94 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00154 95 5S -6.01979 19.30039 1.20011 -3.94118 0.00000 96 5PX 1.91421 -5.63518 -0.68729 0.87133 0.00000 97 5PY -0.34413 2.78799 0.26900 -0.25167 0.00000 98 5PZ 0.00000 0.00000 0.00000 0.00000 0.24988 99 6D 0 0.00113 0.00007 -0.00210 0.00088 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00046 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00027 102 6D+2 0.00092 -0.00040 0.00227 0.00233 0.00000 103 6D-2 -0.00016 0.00105 -0.00104 -0.00134 0.00000 104 7D 0 0.00797 0.00735 0.00680 0.01124 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.01467 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.01804 107 7D+2 -0.00858 -0.01203 -0.00736 0.03743 0.00000 108 7D-2 0.00080 -0.00587 0.03424 0.00618 0.00000 109 5 H 1S 0.05652 0.01082 -0.08193 0.09166 0.00000 110 2S 0.67179 0.21093 -1.06234 1.08286 0.00000 111 3S -0.74542 -1.15498 1.93452 -1.80966 0.00000 112 4PX -0.05620 -0.01959 0.02703 -0.01702 0.00000 113 4PY -0.02137 -0.00865 0.02177 0.03072 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.01051 115 6 H 1S 0.01479 0.00424 0.01915 0.06715 -0.05158 116 2S 0.71836 0.10279 0.63254 0.51120 -0.05622 117 3S -0.28646 0.00323 -0.40355 -0.79131 0.47663 118 4PX 0.00776 -0.01029 0.01342 -0.01458 0.05740 119 4PY -0.06115 -0.01060 -0.03008 0.00728 -0.03636 120 4PZ -0.01552 -0.00276 -0.01923 0.01080 -0.00839 121 7 H 1S 0.01479 0.00424 0.01915 0.06715 0.05158 122 2S 0.71836 0.10279 0.63254 0.51120 0.05622 123 3S -0.28646 0.00323 -0.40355 -0.79131 -0.47663 124 4PX 0.00776 -0.01029 0.01342 -0.01458 -0.05740 125 4PY -0.06115 -0.01060 -0.03008 0.00728 0.03636 126 4PZ 0.01552 0.00276 0.01923 -0.01080 -0.00839 127 8 H 1S -0.03253 -0.03013 0.02475 -0.02448 0.00000 128 2S -1.63105 -0.24856 -0.05219 0.39230 0.00000 129 3S 1.49995 -0.94460 0.22781 1.38012 0.00000 130 4PX -0.10600 -0.00301 -0.02400 0.03890 0.00000 131 4PY -0.06160 -0.01730 0.00130 0.02358 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00596 46 47 48 49 50 V V V V V Eigenvalues -- 0.51604 0.54052 0.58345 0.61304 0.62194 1 1 C 1S 0.00000 -0.01656 0.00795 0.00000 -0.03549 2 2S 0.00000 -0.02891 0.01041 0.00000 -0.06426 3 2PX 0.00000 0.00058 -0.07982 0.00000 -0.11571 4 2PY 0.00000 -0.21695 -0.12376 0.00000 0.01187 5 2PZ -0.18834 0.00000 0.00000 -0.15543 0.00000 6 3S 0.00000 0.08547 0.06950 0.00000 0.23520 7 3PX 0.00000 -0.20138 0.05758 0.00000 -0.15879 8 3PY 0.00000 -0.48450 -0.42758 0.00000 -0.01110 9 3PZ -0.49504 0.00000 0.00000 -0.51834 0.00000 10 4S 0.00000 -1.55207 1.68753 0.00000 3.93605 11 4PX 0.00000 -1.31530 2.10145 0.00000 2.76871 12 4PY 0.00000 2.26485 0.82414 0.00000 -1.74036 13 4PZ 2.01144 0.00000 0.00000 1.53414 0.00000 14 5S 0.00000 4.96695 -3.74573 0.00000 -4.27236 15 5PX 0.00000 1.72516 -0.70666 0.00000 -1.20072 16 5PY 0.00000 0.35298 0.86564 0.00000 0.28684 17 5PZ 0.60734 0.00000 0.00000 0.47439 0.00000 18 6D 0 0.00000 0.00844 -0.00394 0.00000 0.00035 19 6D+1 -0.01414 0.00000 0.00000 0.01013 0.00000 20 6D-1 0.01097 0.00000 0.00000 -0.00161 0.00000 21 6D+2 0.00000 -0.00516 0.00164 0.00000 0.00896 22 6D-2 0.00000 -0.01238 -0.01100 0.00000 0.00079 23 7D 0 0.00000 0.50653 0.10072 0.00000 -0.22674 24 7D+1 -0.31308 0.00000 0.00000 0.55761 0.00000 25 7D-1 0.37597 0.00000 0.00000 0.41391 0.00000 26 7D+2 0.00000 -0.11530 0.35540 0.00000 0.26572 27 7D-2 0.00000 0.14203 -0.28011 0.00000 -0.30661 28 2 C 1S 0.00000 0.01889 0.00375 0.00000 0.02539 29 2S 0.00000 0.03443 0.00278 0.00000 0.04578 30 2PX 0.00000 0.15295 -0.06752 0.00000 -0.17099 31 2PY 0.00000 -0.05632 0.26524 0.00000 -0.05292 32 2PZ -0.04613 0.00000 0.00000 -0.04675 0.00000 33 3S 0.00000 -0.28260 0.02607 0.00000 -0.19072 34 3PX 0.00000 0.29996 -0.07131 0.00000 -0.41763 35 3PY 0.00000 -0.00626 0.56229 0.00000 -0.18460 36 3PZ -0.21091 0.00000 0.00000 -0.19429 0.00000 37 4S 0.00000 2.24929 -0.68282 0.00000 -3.66522 38 4PX 0.00000 -1.79728 1.81940 0.00000 5.77357 39 4PY 0.00000 1.43458 -3.37083 0.00000 1.34598 40 4PZ 0.53678 0.00000 0.00000 -0.16249 0.00000 41 5S 0.00000 -4.90264 4.21115 0.00000 3.15584 42 5PX 0.00000 1.28842 -1.67585 0.00000 0.68701 43 5PY 0.00000 -1.59033 0.04362 0.00000 0.64637 44 5PZ -0.35991 0.00000 0.00000 -0.19891 0.00000 45 6D 0 0.00000 0.00387 -0.00224 0.00000 -0.01289 46 6D+1 0.00887 0.00000 0.00000 -0.01512 0.00000 47 6D-1 0.00426 0.00000 0.00000 0.00917 0.00000 48 6D+2 0.00000 -0.00991 0.00264 0.00000 0.00384 49 6D-2 0.00000 -0.01089 -0.02230 0.00000 -0.00653 50 7D 0 0.00000 -0.12181 -0.06898 0.00000 0.07277 51 7D+1 0.42032 0.00000 0.00000 -0.29628 0.00000 52 7D-1 -0.13028 0.00000 0.00000 0.16023 0.00000 53 7D+2 0.00000 0.47206 -0.42615 0.00000 0.11482 54 7D-2 0.00000 0.18712 0.21750 0.00000 0.37727 55 3 O 1S 0.00000 -0.00372 -0.01724 0.00000 -0.00413 56 2S 0.00000 -0.00619 -0.03183 0.00000 -0.00736 57 2PX 0.00000 -0.04001 -0.05748 0.00000 0.01054 58 2PY 0.00000 -0.01717 0.10143 0.00000 0.00228 59 2PZ 0.00321 0.00000 0.00000 0.04491 0.00000 60 3S 0.00000 0.00945 0.18804 0.00000 0.03537 61 3PX 0.00000 -0.07985 -0.08886 0.00000 0.08113 62 3PY 0.00000 0.01213 0.14597 0.00000 0.02415 63 3PZ 0.01880 0.00000 0.00000 0.08171 0.00000 64 4S 0.00000 0.85575 -1.47322 0.00000 0.69534 65 4PX 0.00000 0.18262 0.08570 0.00000 -0.70784 66 4PY 0.00000 0.19083 -0.37956 0.00000 0.42633 67 4PZ -0.17108 0.00000 0.00000 0.14091 0.00000 68 5S 0.00000 -3.11747 1.16767 0.00000 2.35293 69 5PX 0.00000 -1.40548 1.40094 0.00000 -0.84229 70 5PY 0.00000 0.95754 -1.14454 0.00000 0.58037 71 5PZ -0.48760 0.00000 0.00000 -0.36548 0.00000 72 6D 0 0.00000 -0.00234 0.00747 0.00000 -0.00399 73 6D+1 0.00304 0.00000 0.00000 -0.00166 0.00000 74 6D-1 0.00487 0.00000 0.00000 -0.00515 0.00000 75 6D+2 0.00000 0.00029 0.00851 0.00000 0.00408 76 6D-2 0.00000 -0.00071 0.00206 0.00000 0.00177 77 7D 0 0.00000 -0.00812 0.05381 0.00000 -0.00655 78 7D+1 0.01892 0.00000 0.00000 -0.04047 0.00000 79 7D-1 -0.00869 0.00000 0.00000 -0.02003 0.00000 80 7D+2 0.00000 -0.03413 0.05946 0.00000 -0.02595 81 7D-2 0.00000 0.03580 0.06474 0.00000 0.02461 82 4 O 1S 0.00000 -0.00432 -0.00260 0.00000 0.00225 83 2S 0.00000 -0.00769 -0.00385 0.00000 0.00521 84 2PX 0.00000 -0.01874 -0.02071 0.00000 0.02469 85 2PY 0.00000 0.00923 -0.05056 0.00000 -0.04514 86 2PZ -0.00881 0.00000 0.00000 0.00217 0.00000 87 3S 0.00000 0.03799 -0.00191 0.00000 -0.06435 88 3PX 0.00000 -0.02231 -0.04016 0.00000 0.03089 89 3PY 0.00000 0.00513 -0.07388 0.00000 -0.06092 90 3PZ -0.02405 0.00000 0.00000 0.01991 0.00000 91 4S 0.00000 -0.09840 0.23547 0.00000 0.55895 92 4PX 0.00000 -0.03128 0.01950 0.00000 -0.19190 93 4PY 0.00000 0.04988 -0.12320 0.00000 -0.01095 94 4PZ 0.05353 0.00000 0.00000 -0.07969 0.00000 95 5S 0.00000 3.14819 -3.69207 0.00000 -1.16720 96 5PX 0.00000 -1.21631 1.39161 0.00000 0.28922 97 5PY 0.00000 0.48132 -0.70332 0.00000 -0.55523 98 5PZ 0.20943 0.00000 0.00000 0.35122 0.00000 99 6D 0 0.00000 0.00077 -0.00117 0.00000 0.00009 100 6D+1 0.00118 0.00000 0.00000 0.00009 0.00000 101 6D-1 -0.00103 0.00000 0.00000 0.00076 0.00000 102 6D+2 0.00000 0.00057 -0.00519 0.00000 -0.00458 103 6D-2 0.00000 0.00045 -0.00157 0.00000 -0.00015 104 7D 0 0.00000 0.00324 0.00915 0.00000 -0.03072 105 7D+1 -0.00296 0.00000 0.00000 0.00650 0.00000 106 7D-1 0.02986 0.00000 0.00000 -0.03346 0.00000 107 7D+2 0.00000 -0.00493 -0.01989 0.00000 0.00197 108 7D-2 0.00000 0.00546 -0.01754 0.00000 -0.02699 109 5 H 1S 0.00000 -0.04294 -0.04888 0.00000 0.04553 110 2S 0.00000 -0.82339 -0.46709 0.00000 -0.86428 111 3S 0.00000 0.62988 1.34304 0.00000 -3.42502 112 4PX 0.00000 0.02991 0.02191 0.00000 0.09444 113 4PY 0.00000 0.05839 -0.01879 0.00000 0.04824 114 4PZ 0.02727 0.00000 0.00000 -0.04717 0.00000 115 6 H 1S 0.07558 0.01098 0.05630 0.02244 -0.05195 116 2S -0.13550 -0.35040 0.43669 -0.13718 -0.50384 117 3S -1.90098 -1.30399 -0.68235 -1.25878 1.52015 118 4PX -0.04121 -0.01361 -0.02786 0.05679 -0.00219 119 4PY 0.05255 0.01752 0.01318 0.02914 -0.01957 120 4PZ 0.06177 0.05005 0.00443 0.04995 -0.02107 121 7 H 1S -0.07558 0.01098 0.05630 -0.02244 -0.05195 122 2S 0.13550 -0.35040 0.43669 0.13718 -0.50384 123 3S 1.90098 -1.30399 -0.68235 1.25878 1.52015 124 4PX 0.04121 -0.01361 -0.02786 -0.05679 -0.00219 125 4PY -0.05255 0.01752 0.01318 -0.02914 -0.01957 126 4PZ 0.06177 -0.05005 -0.00443 0.04995 0.02107 127 8 H 1S 0.00000 -0.12258 -0.01658 0.00000 -0.06237 128 2S 0.00000 -0.68112 0.47473 0.00000 -0.71007 129 3S 0.00000 1.83036 1.56092 0.00000 1.39884 130 4PX 0.00000 0.06591 0.07133 0.00000 0.00962 131 4PY 0.00000 0.01604 0.04177 0.00000 0.05420 132 4PZ 0.00671 0.00000 0.00000 -0.03033 0.00000 51 52 53 54 55 V V V V V Eigenvalues -- 0.68057 0.72189 0.75721 0.79169 0.83563 1 1 C 1S 0.03704 0.00000 0.05344 -0.01646 0.07640 2 2S 0.06740 0.00000 0.10318 -0.03487 0.15500 3 2PX 0.12737 0.00000 0.02602 0.01423 -0.04054 4 2PY -0.07537 0.00000 0.01143 -0.02435 -0.00592 5 2PZ 0.00000 -0.03104 0.00000 0.00000 0.00000 6 3S -0.22276 0.00000 -0.91868 0.31764 -1.73438 7 3PX 0.45523 0.00000 0.10137 0.16466 -0.02357 8 3PY -0.22835 0.00000 0.11779 -0.09799 -0.22416 9 3PZ 0.00000 -0.21347 0.00000 0.00000 0.00000 10 4S -1.06347 0.00000 3.98542 -0.41821 9.94501 11 4PX -2.84382 0.00000 -0.18451 0.97116 2.15879 12 4PY 0.29523 0.00000 1.08848 1.98498 -1.14643 13 4PZ 0.00000 -1.18673 0.00000 0.00000 0.00000 14 5S 18.80384 0.00000 0.31881 -4.09891 -1.02606 15 5PX 3.93564 0.00000 -0.06054 -1.28749 -0.67225 16 5PY -1.87425 0.00000 -0.23552 0.20857 0.38626 17 5PZ 0.00000 0.45044 0.00000 0.00000 0.00000 18 6D 0 -0.00197 0.00000 -0.00611 -0.00591 -0.00077 19 6D+1 0.00000 -0.00065 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00373 0.00000 0.00000 0.00000 21 6D+2 0.01028 0.00000 -0.00311 0.01142 0.00287 22 6D-2 0.00076 0.00000 0.00099 0.00420 -0.00181 23 7D 0 0.00387 0.00000 0.57184 0.54962 -0.24953 24 7D+1 0.00000 -0.01503 0.00000 0.00000 0.00000 25 7D-1 0.00000 -0.43961 0.00000 0.00000 0.00000 26 7D+2 -0.09260 0.00000 -0.24482 0.72068 0.30595 27 7D-2 0.14312 0.00000 0.16317 -0.05622 0.42610 28 2 C 1S 0.00229 0.00000 0.07706 -0.01021 -0.05998 29 2S 0.00434 0.00000 0.14708 -0.02577 -0.12172 30 2PX -0.06611 0.00000 -0.08240 -0.03967 -0.04648 31 2PY -0.11470 0.00000 0.06451 -0.08923 -0.03684 32 2PZ 0.00000 -0.06043 0.00000 0.00000 0.00000 33 3S -0.09762 0.00000 -1.25898 0.45584 1.29617 34 3PX -0.32541 0.00000 -0.27833 -0.23065 -0.05146 35 3PY -0.19358 0.00000 -0.13472 -0.32269 0.08471 36 3PZ 0.00000 -0.29636 0.00000 0.00000 0.00000 37 4S 1.46076 0.00000 6.95009 -2.08293 -8.94527 38 4PX 0.80589 0.00000 1.18380 -0.68213 3.17124 39 4PY 3.84930 0.00000 -3.37326 -1.53551 -0.35427 40 4PZ 0.00000 1.32100 0.00000 0.00000 0.00000 41 5S -17.35837 0.00000 1.71448 3.43548 1.45718 42 5PX 5.06930 0.00000 -0.11196 -0.47569 -0.32774 43 5PY -1.28276 0.00000 0.46755 0.87779 0.20506 44 5PZ 0.00000 -0.26531 0.00000 0.00000 0.00000 45 6D 0 -0.00090 0.00000 -0.00022 -0.00626 -0.00342 46 6D+1 0.00000 -0.00353 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.01379 0.00000 0.00000 0.00000 48 6D+2 -0.00260 0.00000 -0.00324 -0.01049 0.01524 49 6D-2 -0.00399 0.00000 0.00156 -0.02302 -0.01451 50 7D 0 -0.12828 0.00000 0.00702 0.36385 0.09618 51 7D+1 0.00000 -0.45341 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.86525 0.00000 0.00000 0.00000 53 7D+2 0.48590 0.00000 -0.60326 -0.07925 -0.06059 54 7D-2 0.07301 0.00000 0.19066 0.00308 0.38842 55 3 O 1S 0.00412 0.00000 -0.01253 -0.00071 0.00899 56 2S 0.00752 0.00000 -0.02528 -0.00163 0.01828 57 2PX -0.01085 0.00000 0.00422 -0.06088 0.01681 58 2PY -0.03345 0.00000 0.05927 -0.00090 -0.06175 59 2PZ 0.00000 -0.07221 0.00000 0.00000 0.00000 60 3S -0.04733 0.00000 0.22616 0.00283 -0.15068 61 3PX -0.00171 0.00000 0.01438 -0.21639 0.03967 62 3PY -0.02106 0.00000 0.06575 0.03409 -0.12712 63 3PZ 0.00000 -0.14975 0.00000 0.00000 0.00000 64 4S 1.07096 0.00000 -2.27990 0.14738 0.82214 65 4PX -0.34189 0.00000 0.23449 1.22067 -0.24255 66 4PY 0.45540 0.00000 -1.26792 -0.48521 0.85580 67 4PZ 0.00000 -0.42217 0.00000 0.00000 0.00000 68 5S -0.52067 0.00000 -6.93904 -4.63057 5.53402 69 5PX -3.48663 0.00000 -0.86003 -3.81136 1.31916 70 5PY 2.88300 0.00000 -2.33955 2.11701 0.45001 71 5PZ 0.00000 -0.53280 0.00000 0.00000 0.00000 72 6D 0 -0.00469 0.00000 0.00129 0.00415 0.00060 73 6D+1 0.00000 -0.00669 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.01681 0.00000 0.00000 0.00000 75 6D+2 -0.00034 0.00000 0.00077 -0.01449 0.00221 76 6D-2 0.00308 0.00000 -0.00466 -0.00291 -0.00389 77 7D 0 -0.01550 0.00000 0.10343 -0.00290 -0.08595 78 7D+1 0.00000 -0.03937 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.01250 0.00000 0.00000 0.00000 80 7D+2 -0.06109 0.00000 0.12736 0.00898 -0.11200 81 7D-2 0.00259 0.00000 0.02793 -0.01484 0.02472 82 4 O 1S 0.00090 0.00000 0.00277 -0.00292 0.00044 83 2S 0.00221 0.00000 0.00497 -0.00701 0.00136 84 2PX 0.00285 0.00000 -0.00285 -0.04258 0.02577 85 2PY -0.00220 0.00000 -0.02331 0.06026 -0.02504 86 2PZ 0.00000 0.02025 0.00000 0.00000 0.00000 87 3S -0.03073 0.00000 -0.02825 0.10179 -0.02329 88 3PX 0.01532 0.00000 -0.01507 -0.06481 0.05507 89 3PY -0.00060 0.00000 -0.04364 0.10425 -0.06910 90 3PZ 0.00000 0.03167 0.00000 0.00000 0.00000 91 4S 0.21003 0.00000 0.00131 -0.88689 0.19794 92 4PX -0.22131 0.00000 0.05930 0.54326 -0.12269 93 4PY 0.09895 0.00000 0.04822 -0.26277 -0.00574 94 4PZ 0.00000 0.04309 0.00000 0.00000 0.00000 95 5S 5.05686 0.00000 2.04590 6.57002 -3.88142 96 5PX -1.76366 0.00000 -0.42540 -2.04289 1.19017 97 5PY 0.17821 0.00000 0.72642 0.59685 -0.92288 98 5PZ 0.00000 0.22672 0.00000 0.00000 0.00000 99 6D 0 0.00095 0.00000 -0.00096 -0.00249 0.00124 100 6D+1 0.00000 0.00216 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00120 0.00000 0.00000 0.00000 102 6D+2 -0.00178 0.00000 -0.00087 0.00498 -0.00241 103 6D-2 0.00110 0.00000 0.00060 -0.00422 -0.00032 104 7D 0 -0.01325 0.00000 -0.02529 0.06199 -0.00930 105 7D+1 0.00000 0.05065 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.02469 0.00000 0.00000 0.00000 107 7D+2 -0.00516 0.00000 -0.01197 -0.02877 0.02298 108 7D-2 -0.01778 0.00000 -0.01514 0.06721 0.01126 109 5 H 1S 0.00867 0.00000 0.06600 0.05735 -0.04878 110 2S -1.17617 0.00000 0.24748 1.63230 0.08734 111 3S -1.70824 0.00000 -1.13911 -0.30054 -0.13242 112 4PX 0.07843 0.00000 0.08470 -0.01553 -0.02301 113 4PY 0.06486 0.00000 0.01132 -0.05351 -0.08131 114 4PZ 0.00000 -0.06285 0.00000 0.00000 0.00000 115 6 H 1S 0.06997 0.03437 0.01054 -0.01986 0.02516 116 2S 0.99239 0.91241 -0.83546 -0.46367 -0.61351 117 3S -2.13919 -0.27525 -1.01434 0.24320 -0.90748 118 4PX 0.01078 -0.00656 0.00651 0.02754 -0.03646 119 4PY 0.00158 -0.01044 0.07184 0.00774 0.04317 120 4PZ 0.02734 -0.05008 0.07398 0.01231 0.08489 121 7 H 1S 0.06997 -0.03437 0.01054 -0.01986 0.02516 122 2S 0.99239 -0.91241 -0.83546 -0.46367 -0.61351 123 3S -2.13919 0.27525 -1.01434 0.24320 -0.90748 124 4PX 0.01078 0.00656 0.00651 0.02754 -0.03646 125 4PY 0.00158 0.01044 0.07184 0.00774 0.04317 126 4PZ -0.02734 -0.05008 -0.07398 -0.01231 -0.08489 127 8 H 1S 0.07377 0.00000 0.03616 0.04163 0.01459 128 2S 0.63665 0.00000 0.14813 1.14716 -1.56796 129 3S -3.26975 0.00000 -0.85757 -0.00844 -0.60395 130 4PX -0.01034 0.00000 -0.03929 -0.01468 -0.14309 131 4PY -0.03029 0.00000 -0.01503 0.10679 -0.09753 132 4PZ 0.00000 -0.04781 0.00000 0.00000 0.00000 56 57 58 59 60 V V V V V Eigenvalues -- 0.97297 0.97720 0.98235 1.02892 1.04067 1 1 C 1S 0.00000 -0.00196 0.01756 0.00000 -0.01638 2 2S 0.00000 -0.00805 0.04222 0.00000 -0.03671 3 2PX 0.00000 -0.00325 -0.03831 0.00000 -0.04092 4 2PY 0.00000 -0.04857 -0.01735 0.00000 -0.04862 5 2PZ 0.05453 0.00000 0.00000 -0.05565 0.00000 6 3S 0.00000 -0.05957 -0.25315 0.00000 0.51254 7 3PX 0.00000 0.35094 -0.53992 0.00000 -0.30881 8 3PY 0.00000 -0.15139 0.12364 0.00000 -0.48319 9 3PZ 0.13171 0.00000 0.00000 -0.44611 0.00000 10 4S 0.00000 4.35184 -4.39207 0.00000 -3.31449 11 4PX 0.00000 1.29039 -0.84490 0.00000 -1.23056 12 4PY 0.00000 -0.65630 1.90696 0.00000 0.01367 13 4PZ 1.09731 0.00000 0.00000 -0.57902 0.00000 14 5S 0.00000 -3.16548 -1.07269 0.00000 -0.12663 15 5PX 0.00000 -0.75417 -0.02493 0.00000 0.57784 16 5PY 0.00000 0.53370 0.15962 0.00000 0.62862 17 5PZ -0.34896 0.00000 0.00000 0.21937 0.00000 18 6D 0 0.00000 -0.01016 0.01048 0.00000 -0.01074 19 6D+1 -0.01493 0.00000 0.00000 -0.00070 0.00000 20 6D-1 0.00391 0.00000 0.00000 -0.00649 0.00000 21 6D+2 0.00000 0.01267 0.00186 0.00000 -0.00544 22 6D-2 0.00000 -0.00005 0.01986 0.00000 0.01149 23 7D 0 0.00000 0.07382 0.38604 0.00000 -0.78846 24 7D+1 1.09878 0.00000 0.00000 0.29515 0.00000 25 7D-1 -0.23621 0.00000 0.00000 -1.16656 0.00000 26 7D+2 0.00000 -0.50191 0.00013 0.00000 0.32183 27 7D-2 0.00000 -0.51923 -0.40558 0.00000 1.31963 28 2 C 1S 0.00000 -0.02261 0.00516 0.00000 0.01274 29 2S 0.00000 -0.06454 0.01349 0.00000 0.02510 30 2PX 0.00000 0.01519 -0.02824 0.00000 0.01033 31 2PY 0.00000 0.02188 0.03243 0.00000 -0.05408 32 2PZ -0.01321 0.00000 0.00000 -0.00121 0.00000 33 3S 0.00000 0.91149 -0.42164 0.00000 -0.52541 34 3PX 0.00000 -0.13559 0.23314 0.00000 -0.03546 35 3PY 0.00000 -0.56501 -0.60615 0.00000 -0.44209 36 3PZ 0.02414 0.00000 0.00000 -0.13278 0.00000 37 4S 0.00000 -0.50727 6.64022 0.00000 7.57570 38 4PX 0.00000 3.22759 -3.13025 0.00000 -1.36390 39 4PY 0.00000 -2.34855 -1.96264 0.00000 -3.11127 40 4PZ -1.05102 0.00000 0.00000 -0.33505 0.00000 41 5S 0.00000 3.40046 2.29233 0.00000 1.07216 42 5PX 0.00000 -0.82542 -1.00561 0.00000 -0.30677 43 5PY 0.00000 0.20193 -0.35536 0.00000 -0.87948 44 5PZ 0.16461 0.00000 0.00000 0.50867 0.00000 45 6D 0 0.00000 -0.02698 0.00539 0.00000 -0.00419 46 6D+1 -0.01128 0.00000 0.00000 -0.00667 0.00000 47 6D-1 0.00354 0.00000 0.00000 0.00746 0.00000 48 6D+2 0.00000 -0.02467 -0.03890 0.00000 -0.02157 49 6D-2 0.00000 -0.02401 0.01692 0.00000 0.00508 50 7D 0 0.00000 0.04015 -0.63988 0.00000 -0.52216 51 7D+1 1.07584 0.00000 0.00000 0.21632 0.00000 52 7D-1 -0.77537 0.00000 0.00000 0.38971 0.00000 53 7D+2 0.00000 -1.30911 -0.18363 0.00000 -0.40818 54 7D-2 0.00000 -0.01975 -1.33080 0.00000 0.06549 55 3 O 1S 0.00000 -0.00675 0.01619 0.00000 0.02316 56 2S 0.00000 -0.01489 0.02359 0.00000 0.03995 57 2PX 0.00000 -0.03432 0.09484 0.00000 0.05993 58 2PY 0.00000 0.12750 0.09121 0.00000 0.02102 59 2PZ 0.03613 0.00000 0.00000 -0.16739 0.00000 60 3S 0.00000 0.16556 0.09929 0.00000 -0.15293 61 3PX 0.00000 -0.10077 0.28886 0.00000 0.18597 62 3PY 0.00000 0.35367 0.28674 0.00000 0.07375 63 3PZ 0.16534 0.00000 0.00000 -0.56005 0.00000 64 4S 0.00000 -1.98172 -3.48316 0.00000 -1.87511 65 4PX 0.00000 0.83091 -1.86433 0.00000 0.79939 66 4PY 0.00000 -2.66315 -2.19544 0.00000 -2.35790 67 4PZ -0.91487 0.00000 0.00000 1.50929 0.00000 68 5S 0.00000 -1.78833 -4.22750 0.00000 -6.28462 69 5PX 0.00000 -0.72305 0.72120 0.00000 -0.21653 70 5PY 0.00000 0.50747 -0.00729 0.00000 -0.75512 71 5PZ 0.77749 0.00000 0.00000 -1.00383 0.00000 72 6D 0 0.00000 -0.00497 -0.01960 0.00000 -0.00764 73 6D+1 0.01080 0.00000 0.00000 0.00618 0.00000 74 6D-1 0.01427 0.00000 0.00000 -0.01668 0.00000 75 6D+2 0.00000 -0.03740 -0.00779 0.00000 -0.01213 76 6D-2 0.00000 -0.00173 0.01374 0.00000 -0.00483 77 7D 0 0.00000 -0.01228 0.05909 0.00000 -0.00587 78 7D+1 0.16109 0.00000 0.00000 0.00732 0.00000 79 7D-1 0.06472 0.00000 0.00000 -0.07118 0.00000 80 7D+2 0.00000 0.07056 0.03875 0.00000 0.16310 81 7D-2 0.00000 -0.01339 0.09353 0.00000 -0.04661 82 4 O 1S 0.00000 0.00397 -0.00379 0.00000 0.00914 83 2S 0.00000 0.00667 -0.00290 0.00000 0.01417 84 2PX 0.00000 0.00999 0.05958 0.00000 -0.07569 85 2PY 0.00000 0.10522 -0.06160 0.00000 0.04764 86 2PZ -0.06906 0.00000 0.00000 -0.13445 0.00000 87 3S 0.00000 0.00452 -0.11303 0.00000 -0.00267 88 3PX 0.00000 0.07010 0.18305 0.00000 -0.29210 89 3PY 0.00000 0.26331 -0.19799 0.00000 0.14828 90 3PZ -0.21684 0.00000 0.00000 -0.37486 0.00000 91 4S 0.00000 -0.62062 1.24626 0.00000 -0.60080 92 4PX 0.00000 0.50326 -1.24299 0.00000 1.30896 93 4PY 0.00000 -0.55435 1.10058 0.00000 -0.39624 94 4PZ 0.52442 0.00000 0.00000 0.49079 0.00000 95 5S 0.00000 0.45316 0.99665 0.00000 1.43419 96 5PX 0.00000 -0.04745 -0.04653 0.00000 -0.98326 97 5PY 0.00000 -0.07222 -0.18372 0.00000 0.37552 98 5PZ -0.50339 0.00000 0.00000 -0.14510 0.00000 99 6D 0 0.00000 -0.00294 0.00962 0.00000 -0.00829 100 6D+1 0.00386 0.00000 0.00000 -0.00525 0.00000 101 6D-1 -0.00418 0.00000 0.00000 0.00198 0.00000 102 6D+2 0.00000 0.00470 -0.00232 0.00000 0.01274 103 6D-2 0.00000 0.00091 0.01823 0.00000 -0.00673 104 7D 0 0.00000 0.02041 -0.13812 0.00000 -0.04943 105 7D+1 -0.02419 0.00000 0.00000 -0.07136 0.00000 106 7D-1 0.13680 0.00000 0.00000 0.00181 0.00000 107 7D+2 0.00000 -0.01785 -0.02543 0.00000 -0.02449 108 7D-2 0.00000 0.13815 -0.07164 0.00000 0.04675 109 5 H 1S 0.00000 -0.01149 -0.01228 0.00000 0.01013 110 2S 0.00000 0.01652 1.09588 0.00000 -0.16316 111 3S 0.00000 -0.52850 0.60841 0.00000 0.81727 112 4PX 0.00000 -0.07430 -0.06020 0.00000 0.02317 113 4PY 0.00000 -0.03539 -0.00909 0.00000 0.03934 114 4PZ -0.04847 0.00000 0.00000 0.03649 0.00000 115 6 H 1S -0.00576 -0.00048 -0.00170 -0.01716 -0.00631 116 2S -0.11935 -0.49628 0.03660 1.42542 1.25623 117 3S 0.07223 -0.00245 -0.42223 -0.67581 -0.30637 118 4PX 0.04654 -0.05045 0.06083 0.03465 0.03242 119 4PY -0.02230 0.03828 0.00112 -0.05493 -0.05740 120 4PZ 0.01635 -0.00005 0.04096 -0.07054 -0.06313 121 7 H 1S 0.00576 -0.00048 -0.00170 0.01716 -0.00631 122 2S 0.11935 -0.49628 0.03660 -1.42542 1.25623 123 3S -0.07223 -0.00245 -0.42223 0.67581 -0.30637 124 4PX -0.04654 -0.05045 0.06083 -0.03465 0.03242 125 4PY 0.02230 0.03828 0.00112 0.05493 -0.05740 126 4PZ 0.01635 0.00005 -0.04096 -0.07054 0.06313 127 8 H 1S 0.00000 0.01267 -0.00039 0.00000 0.01710 128 2S 0.00000 -0.16491 1.25009 0.00000 -1.94890 129 3S 0.00000 0.12248 0.36168 0.00000 1.42018 130 4PX 0.00000 0.03075 0.01963 0.00000 -0.09381 131 4PY 0.00000 -0.00099 0.07085 0.00000 -0.05010 132 4PZ 0.01080 0.00000 0.00000 0.01961 0.00000 61 62 63 64 65 V V V V V Eigenvalues -- 1.06881 1.11828 1.12682 1.13613 1.19458 1 1 C 1S 0.00000 0.02165 0.00000 0.00785 -0.00244 2 2S 0.00000 0.04897 0.00000 0.02012 -0.00948 3 2PX 0.00000 0.00308 0.00000 0.01650 -0.01683 4 2PY 0.00000 0.04602 0.00000 -0.00166 0.07667 5 2PZ -0.05475 0.00000 -0.03434 0.00000 0.00000 6 3S 0.00000 -0.52559 0.00000 -0.27758 0.36280 7 3PX 0.00000 -0.07005 0.00000 0.00025 -0.08450 8 3PY 0.00000 0.45949 0.00000 -0.01267 0.36137 9 3PZ -0.55595 0.00000 -0.08098 0.00000 0.00000 10 4S 0.00000 0.85119 0.00000 1.32687 -4.41508 11 4PX 0.00000 0.59090 0.00000 0.51152 -0.62901 12 4PY 0.00000 0.75584 0.00000 -0.33514 2.34414 13 4PZ -1.94316 0.00000 -0.99812 0.00000 0.00000 14 5S 0.00000 12.48122 0.00000 -5.37170 -0.77805 15 5PX 0.00000 2.73501 0.00000 -1.15092 -0.06271 16 5PY 0.00000 -1.40276 0.00000 0.76908 0.10170 17 5PZ 0.65541 0.00000 -0.01788 0.00000 0.00000 18 6D 0 0.00000 0.01519 0.00000 0.00337 0.00569 19 6D+1 -0.00251 0.00000 0.00259 0.00000 0.00000 20 6D-1 -0.01765 0.00000 -0.01017 0.00000 0.00000 21 6D+2 0.00000 -0.00166 0.00000 -0.00196 -0.01193 22 6D-2 0.00000 -0.00915 0.00000 -0.00263 -0.01235 23 7D 0 0.00000 0.69642 0.00000 -0.25266 0.74415 24 7D+1 0.26047 0.00000 -0.37511 0.00000 0.00000 25 7D-1 -1.77544 0.00000 -0.15713 0.00000 0.00000 26 7D+2 0.00000 -0.09172 0.00000 0.30502 0.45060 27 7D-2 0.00000 -0.63003 0.00000 0.12707 -0.11229 28 2 C 1S 0.00000 -0.00941 0.00000 0.01302 0.01097 29 2S 0.00000 -0.02042 0.00000 0.02786 0.02859 30 2PX 0.00000 -0.01525 0.00000 0.01526 -0.02138 31 2PY 0.00000 0.05791 0.00000 0.05544 -0.05921 32 2PZ -0.03386 0.00000 0.03496 0.00000 0.00000 33 3S 0.00000 0.20214 0.00000 -0.22586 -0.91728 34 3PX 0.00000 0.10679 0.00000 0.16086 0.18230 35 3PY 0.00000 0.26163 0.00000 0.30597 -0.29628 36 3PZ -0.09724 0.00000 0.11284 0.00000 0.00000 37 4S 0.00000 -1.72765 0.00000 -1.64388 9.48278 38 4PX 0.00000 0.20174 0.00000 0.63188 -1.86822 39 4PY 0.00000 1.39759 0.00000 0.52312 -3.47412 40 4PZ 0.32560 0.00000 0.56233 0.00000 0.00000 41 5S 0.00000 -12.31788 0.00000 5.47669 0.86550 42 5PX 0.00000 3.85154 0.00000 -2.23900 -0.27416 43 5PY 0.00000 -1.64621 0.00000 0.33620 -0.39753 44 5PZ -0.55251 0.00000 -0.04035 0.00000 0.00000 45 6D 0 0.00000 -0.00663 0.00000 -0.00182 -0.00963 46 6D+1 -0.00223 0.00000 -0.01121 0.00000 0.00000 47 6D-1 0.00136 0.00000 0.00349 0.00000 0.00000 48 6D+2 0.00000 -0.00410 0.00000 0.00061 -0.00232 49 6D-2 0.00000 0.01030 0.00000 0.00916 0.01101 50 7D 0 0.00000 -0.37179 0.00000 0.25987 -1.73099 51 7D+1 0.13525 0.00000 -0.46330 0.00000 0.00000 52 7D-1 0.32023 0.00000 0.15354 0.00000 0.00000 53 7D+2 0.00000 0.73194 0.00000 0.61444 -0.44650 54 7D-2 0.00000 0.23260 0.00000 0.20713 0.85802 55 3 O 1S 0.00000 -0.00123 0.00000 -0.00047 0.01170 56 2S 0.00000 -0.00197 0.00000 -0.00065 0.01979 57 2PX 0.00000 0.02014 0.00000 0.04965 -0.04176 58 2PY 0.00000 0.05511 0.00000 0.03248 -0.05713 59 2PZ 0.13673 0.00000 0.12616 0.00000 0.00000 60 3S 0.00000 -0.05752 0.00000 -0.00589 -0.01965 61 3PX 0.00000 0.17753 0.00000 0.16716 -0.27656 62 3PY 0.00000 0.18488 0.00000 0.11731 -0.18146 63 3PZ 0.39224 0.00000 0.41124 0.00000 0.00000 64 4S 0.00000 1.91489 0.00000 1.00068 -3.61287 65 4PX 0.00000 0.23709 0.00000 -0.95717 2.13719 66 4PY 0.00000 -0.07787 0.00000 1.06428 -1.94070 67 4PZ -0.60260 0.00000 -1.12654 0.00000 0.00000 68 5S 0.00000 5.07803 0.00000 -0.12610 -4.35653 69 5PX 0.00000 1.69089 0.00000 0.56059 -1.28409 70 5PY 0.00000 0.55392 0.00000 -0.80242 -0.66067 71 5PZ 0.47379 0.00000 0.80285 0.00000 0.00000 72 6D 0 0.00000 -0.00204 0.00000 0.00004 -0.00587 73 6D+1 0.00221 0.00000 0.00460 0.00000 0.00000 74 6D-1 -0.00285 0.00000 -0.00106 0.00000 0.00000 75 6D+2 0.00000 0.00466 0.00000 0.00943 -0.00939 76 6D-2 0.00000 0.00779 0.00000 -0.00395 -0.01592 77 7D 0 0.00000 -0.24005 0.00000 -0.01608 0.10419 78 7D+1 -0.04695 0.00000 -0.07507 0.00000 0.00000 79 7D-1 -0.03078 0.00000 0.01088 0.00000 0.00000 80 7D+2 0.00000 0.15973 0.00000 0.01995 0.02577 81 7D-2 0.00000 -0.06853 0.00000 0.10384 0.05178 82 4 O 1S 0.00000 0.01522 0.00000 0.00063 0.02797 83 2S 0.00000 0.02507 0.00000 0.00244 0.05383 84 2PX 0.00000 -0.13317 0.00000 0.11462 0.05772 85 2PY 0.00000 0.03777 0.00000 0.19355 0.02616 86 2PZ 0.10383 0.00000 -0.19224 0.00000 0.00000 87 3S 0.00000 -0.04770 0.00000 -0.06102 -0.34550 88 3PX 0.00000 -0.49371 0.00000 0.36317 0.19717 89 3PY 0.00000 0.17967 0.00000 0.65222 0.10069 90 3PZ 0.31953 0.00000 -0.64935 0.00000 0.00000 91 4S 0.00000 -0.48892 0.00000 0.56517 -0.24149 92 4PX 0.00000 1.88474 0.00000 -1.29421 0.18018 93 4PY 0.00000 -0.72225 0.00000 -1.28862 -0.49929 94 4PZ -0.55256 0.00000 1.55492 0.00000 0.00000 95 5S 0.00000 -4.03696 0.00000 -0.38834 1.19134 96 5PX 0.00000 0.03434 0.00000 0.87286 -0.12010 97 5PY 0.00000 -0.56429 0.00000 0.97074 0.33587 98 5PZ 0.24300 0.00000 -1.02191 0.00000 0.00000 99 6D 0 0.00000 -0.01140 0.00000 0.00296 -0.00030 100 6D+1 0.00171 0.00000 0.01114 0.00000 0.00000 101 6D-1 -0.00021 0.00000 -0.00453 0.00000 0.00000 102 6D+2 0.00000 0.01415 0.00000 -0.01031 -0.00291 103 6D-2 0.00000 -0.01495 0.00000 -0.00242 -0.00077 104 7D 0 0.00000 -0.05271 0.00000 -0.03880 -0.04274 105 7D+1 -0.01719 0.00000 0.08707 0.00000 0.00000 106 7D-1 -0.01499 0.00000 -0.06563 0.00000 0.00000 107 7D+2 0.00000 -0.08303 0.00000 -0.05301 -0.10254 108 7D-2 0.00000 -0.04415 0.00000 -0.11040 0.08649 109 5 H 1S 0.00000 0.02868 0.00000 0.02458 0.05647 110 2S 0.00000 -1.12720 0.00000 -0.45447 -1.80379 111 3S 0.00000 0.23273 0.00000 0.16984 1.58067 112 4PX 0.00000 0.05100 0.00000 0.08424 0.07749 113 4PY 0.00000 0.01135 0.00000 -0.00231 0.07757 114 4PZ 0.15491 0.00000 -0.01503 0.00000 0.00000 115 6 H 1S -0.03474 0.02557 -0.00867 -0.00891 0.02909 116 2S 2.32059 -0.77475 0.41658 0.13691 -0.17841 117 3S -0.46548 -0.28865 0.12055 -0.11600 0.13098 118 4PX 0.01056 0.00628 -0.05632 0.03610 -0.03342 119 4PY -0.06944 0.02715 0.00731 0.00010 -0.04014 120 4PZ -0.11333 0.05811 -0.02209 0.00197 0.03785 121 7 H 1S 0.03474 0.02557 0.00867 -0.00891 0.02909 122 2S -2.32059 -0.77475 -0.41658 0.13691 -0.17841 123 3S 0.46548 -0.28865 -0.12055 -0.11600 0.13098 124 4PX -0.01056 0.00628 0.05632 0.03610 -0.03342 125 4PY 0.06944 0.02715 -0.00731 0.00010 -0.04014 126 4PZ -0.11333 -0.05811 -0.02209 -0.00197 -0.03785 127 8 H 1S 0.00000 -0.02707 0.00000 -0.02308 -0.05508 128 2S 0.00000 1.48940 0.00000 -0.26470 1.53669 129 3S 0.00000 -0.66326 0.00000 0.17327 0.19571 130 4PX 0.00000 0.01015 0.00000 -0.03449 0.11576 131 4PY 0.00000 0.07056 0.00000 0.01529 -0.01504 132 4PZ 0.02070 0.00000 -0.00094 0.00000 0.00000 66 67 68 69 70 V V V V V Eigenvalues -- 1.22577 1.25279 1.34491 1.35705 1.40630 1 1 C 1S -0.01105 -0.03044 0.00000 -0.01647 0.00000 2 2S -0.01822 -0.07839 0.00000 -0.03367 0.00000 3 2PX 0.15361 -0.05045 0.00000 0.07248 0.00000 4 2PY -0.00592 0.08476 0.00000 -0.03809 0.00000 5 2PZ 0.00000 0.00000 -0.06432 0.00000 -0.00477 6 3S -0.13290 1.11538 0.00000 0.14315 0.00000 7 3PX 0.95142 0.12812 0.00000 0.48273 0.00000 8 3PY -0.17574 0.14136 0.00000 -0.29738 0.00000 9 3PZ 0.00000 0.00000 -0.01519 0.00000 0.01228 10 4S 6.58045 -3.49880 0.00000 4.87346 0.00000 11 4PX 3.89025 -2.70145 0.00000 2.59510 0.00000 12 4PY -0.86832 2.30177 0.00000 -0.24284 0.00000 13 4PZ 0.00000 0.00000 -0.48652 0.00000 0.02061 14 5S -0.55195 -1.59097 0.00000 -6.97208 0.00000 15 5PX -0.59595 -0.09777 0.00000 -1.75364 0.00000 16 5PY 0.04310 -0.30430 0.00000 0.30872 0.00000 17 5PZ 0.00000 0.00000 0.25083 0.00000 0.00686 18 6D 0 0.00531 0.01051 0.00000 0.02460 0.00000 19 6D+1 0.00000 0.00000 0.00566 0.00000 -0.00006 20 6D-1 0.00000 0.00000 -0.01900 0.00000 -0.00024 21 6D+2 -0.00974 0.00742 0.00000 0.02867 0.00000 22 6D-2 -0.01527 -0.01448 0.00000 0.01477 0.00000 23 7D 0 -0.55305 1.25787 0.00000 0.30218 0.00000 24 7D+1 0.00000 0.00000 -0.23291 0.00000 -0.06742 25 7D-1 0.00000 0.00000 0.03298 0.00000 0.08938 26 7D+2 1.33122 -0.68994 0.00000 -0.08833 0.00000 27 7D-2 -0.81419 1.10397 0.00000 -0.91549 0.00000 28 2 C 1S 0.02580 -0.04159 0.00000 -0.01036 0.00000 29 2S 0.04597 -0.09827 0.00000 -0.01460 0.00000 30 2PX 0.12688 -0.03366 0.00000 0.10626 0.00000 31 2PY -0.00510 0.02451 0.00000 -0.17645 0.00000 32 2PZ 0.00000 0.00000 0.04029 0.00000 0.00286 33 3S -0.08634 0.94914 0.00000 0.08033 0.00000 34 3PX 0.95294 -0.75101 0.00000 0.07122 0.00000 35 3PY -0.17029 0.57433 0.00000 -0.18819 0.00000 36 3PZ 0.00000 0.00000 0.06357 0.00000 -0.00197 37 4S -5.58037 3.49385 0.00000 -2.82485 0.00000 38 4PX 4.27079 -0.52196 0.00000 3.48470 0.00000 39 4PY -1.76622 0.35830 0.00000 -2.69343 0.00000 40 4PZ 0.00000 0.00000 0.57430 0.00000 0.06012 41 5S 0.41982 1.01135 0.00000 7.42807 0.00000 42 5PX -0.11438 -0.78657 0.00000 -2.12960 0.00000 43 5PY 0.22164 0.49482 0.00000 1.23618 0.00000 44 5PZ 0.00000 0.00000 -0.30990 0.00000 -0.00728 45 6D 0 -0.03397 -0.00394 0.00000 0.03793 0.00000 46 6D+1 0.00000 0.00000 -0.03455 0.00000 -0.00284 47 6D-1 0.00000 0.00000 0.02057 0.00000 -0.00487 48 6D+2 -0.00415 -0.00063 0.00000 0.02397 0.00000 49 6D-2 -0.00039 0.01419 0.00000 -0.00542 0.00000 50 7D 0 0.35499 -0.23969 0.00000 0.14969 0.00000 51 7D+1 0.00000 0.00000 -0.37556 0.00000 -0.05280 52 7D-1 0.00000 0.00000 0.10569 0.00000 0.05430 53 7D+2 -0.29409 0.52660 0.00000 -1.74549 0.00000 54 7D-2 1.86640 0.61863 0.00000 -0.41874 0.00000 55 3 O 1S -0.01061 -0.00095 0.00000 0.02454 0.00000 56 2S -0.02240 -0.00505 0.00000 0.04694 0.00000 57 2PX 0.09343 0.10589 0.00000 0.06806 0.00000 58 2PY 0.06177 0.01992 0.00000 -0.12909 0.00000 59 2PZ 0.00000 0.00000 0.00691 0.00000 -0.00001 60 3S 0.20790 0.11091 0.00000 -0.28685 0.00000 61 3PX 0.25144 0.30100 0.00000 0.39455 0.00000 62 3PY 0.18569 0.13488 0.00000 -0.51881 0.00000 63 3PZ 0.00000 0.00000 0.10561 0.00000 0.00291 64 4S -0.25545 -0.40667 0.00000 -2.17003 0.00000 65 4PX 0.06911 -1.00813 0.00000 -1.95280 0.00000 66 4PY -0.27590 0.27897 0.00000 0.47936 0.00000 67 4PZ 0.00000 0.00000 -0.40534 0.00000 0.02049 68 5S -0.13337 -3.08179 0.00000 1.00050 0.00000 69 5PX -0.50739 -1.82300 0.00000 1.82917 0.00000 70 5PY 0.35333 0.93575 0.00000 -1.57251 0.00000 71 5PZ 0.00000 0.00000 0.11023 0.00000 -0.04476 72 6D 0 -0.00199 -0.00604 0.00000 -0.00341 0.00000 73 6D+1 0.00000 0.00000 0.01525 0.00000 0.00105 74 6D-1 0.00000 0.00000 -0.00680 0.00000 -0.00053 75 6D+2 -0.00208 0.01034 0.00000 0.01124 0.00000 76 6D-2 -0.02227 -0.01391 0.00000 -0.00004 0.00000 77 7D 0 0.07645 0.04253 0.00000 -0.00525 0.00000 78 7D+1 0.00000 0.00000 0.61271 0.00000 0.04822 79 7D-1 0.00000 0.00000 -0.05813 0.00000 0.05509 80 7D+2 -0.02729 -0.13067 0.00000 0.02804 0.00000 81 7D-2 -0.06409 -0.00892 0.00000 0.12996 0.00000 82 4 O 1S -0.01703 -0.01129 0.00000 -0.00959 0.00000 83 2S -0.03382 -0.02137 0.00000 -0.01863 0.00000 84 2PX 0.02382 0.05289 0.00000 -0.02173 0.00000 85 2PY -0.01792 -0.01820 0.00000 0.01632 0.00000 86 2PZ 0.00000 0.00000 -0.02799 0.00000 -0.00169 87 3S 0.24710 0.10353 0.00000 0.07947 0.00000 88 3PX 0.03703 0.12260 0.00000 -0.14334 0.00000 89 3PY -0.12597 -0.05016 0.00000 0.14799 0.00000 90 3PZ 0.00000 0.00000 0.02348 0.00000 0.00154 91 4S -0.48630 0.37986 0.00000 0.92416 0.00000 92 4PX 0.02175 -0.89090 0.00000 -0.61302 0.00000 93 4PY 0.27506 0.39253 0.00000 -0.18276 0.00000 94 4PZ 0.00000 0.00000 -0.21971 0.00000 -0.01803 95 5S 0.46077 4.01818 0.00000 -2.77144 0.00000 96 5PX -0.12138 -0.82351 0.00000 1.09652 0.00000 97 5PY -0.45082 0.28290 0.00000 -0.06112 0.00000 98 5PZ 0.00000 0.00000 0.19203 0.00000 0.03606 99 6D 0 0.00036 0.00286 0.00000 -0.00060 0.00000 100 6D+1 0.00000 0.00000 -0.01238 0.00000 -0.00073 101 6D-1 0.00000 0.00000 0.00550 0.00000 0.00049 102 6D+2 0.00371 -0.00335 0.00000 -0.00822 0.00000 103 6D-2 0.00390 0.00617 0.00000 -0.00282 0.00000 104 7D 0 0.02215 -0.01876 0.00000 -0.08565 0.00000 105 7D+1 0.00000 0.00000 -0.42342 0.00000 -0.00196 106 7D-1 0.00000 0.00000 0.26555 0.00000 0.05513 107 7D+2 0.22515 0.10750 0.00000 -0.03028 0.00000 108 7D-2 0.09709 -0.02104 0.00000 -0.19791 0.00000 109 5 H 1S 0.10029 0.07346 0.00000 -0.09942 0.00000 110 2S -1.70832 -1.23229 0.00000 1.08156 0.00000 111 3S 0.32836 0.29897 0.00000 -1.02425 0.00000 112 4PX 0.12169 -0.04206 0.00000 -0.17400 0.00000 113 4PY -0.00438 0.05160 0.00000 0.17532 0.00000 114 4PZ 0.00000 0.00000 -0.32387 0.00000 -0.06471 115 6 H 1S -0.02933 0.08004 -0.02163 -0.00581 0.00565 116 2S 0.11265 -0.84279 0.15207 -0.65029 -0.09074 117 3S -0.08377 0.16815 -0.07642 0.36934 0.00945 118 4PX 0.01412 -0.01600 -0.12020 -0.10265 0.21511 119 4PY -0.02739 -0.02671 -0.00616 -0.07469 0.46666 120 4PZ -0.01856 0.01274 0.02097 0.04303 -0.29558 121 7 H 1S -0.02933 0.08004 0.02163 -0.00581 -0.00565 122 2S 0.11265 -0.84279 -0.15207 -0.65029 0.09074 123 3S -0.08377 0.16815 0.07642 0.36934 -0.00945 124 4PX 0.01412 -0.01600 0.12020 -0.10265 -0.21511 125 4PY -0.02739 -0.02671 0.00616 -0.07469 -0.46666 126 4PZ 0.01856 -0.01274 0.02097 -0.04303 -0.29558 127 8 H 1S -0.07969 0.03111 0.00000 -0.04394 0.00000 128 2S 0.71950 0.32627 0.00000 0.98968 0.00000 129 3S -0.26760 -0.42828 0.00000 0.26661 0.00000 130 4PX 0.02450 -0.01942 0.00000 0.00465 0.00000 131 4PY 0.05611 0.08483 0.00000 0.05240 0.00000 132 4PZ 0.00000 0.00000 -0.02339 0.00000 0.60632 71 72 73 74 75 V V V V V Eigenvalues -- 1.43652 1.53763 1.56532 1.62785 1.62834 1 1 C 1S -0.00219 0.00000 -0.00775 0.00000 0.00010 2 2S -0.00648 0.00000 -0.01497 0.00000 -0.00123 3 2PX -0.03965 0.00000 0.05849 0.00000 0.04223 4 2PY -0.01444 0.00000 -0.04104 0.00000 0.01406 5 2PZ 0.00000 -0.03305 0.00000 0.10325 0.00000 6 3S 0.19534 0.00000 0.04900 0.00000 -0.02491 7 3PX -0.12998 0.00000 0.20439 0.00000 0.03754 8 3PY 0.01098 0.00000 0.00595 0.00000 0.06118 9 3PZ 0.00000 -0.03662 0.00000 -0.15746 0.00000 10 4S -2.51784 0.00000 1.76940 0.00000 0.26538 11 4PX -0.92917 0.00000 0.74088 0.00000 -0.05187 12 4PY 0.67257 0.00000 -0.87282 0.00000 -0.43792 13 4PZ 0.00000 -0.27679 0.00000 1.29653 0.00000 14 5S 2.34862 0.00000 2.55999 0.00000 -4.32272 15 5PX 0.58632 0.00000 0.48878 0.00000 -1.11657 16 5PY -0.76958 0.00000 -0.08712 0.00000 0.43031 17 5PZ 0.00000 0.07756 0.00000 -0.25934 0.00000 18 6D 0 -0.00372 0.00000 -0.00845 0.00000 -0.02013 19 6D+1 0.00000 0.00364 0.00000 0.02976 0.00000 20 6D-1 0.00000 -0.01602 0.00000 0.03142 0.00000 21 6D+2 0.00507 0.00000 -0.02048 0.00000 -0.01862 22 6D-2 0.02255 0.00000 -0.00407 0.00000 -0.03060 23 7D 0 0.15293 0.00000 -0.14936 0.00000 -0.12647 24 7D+1 0.00000 -0.08714 0.00000 0.42999 0.00000 25 7D-1 0.00000 -0.06797 0.00000 -0.16749 0.00000 26 7D+2 -0.09091 0.00000 0.08953 0.00000 0.08176 27 7D-2 0.00532 0.00000 -0.09395 0.00000 0.10741 28 2 C 1S 0.00093 0.00000 -0.00312 0.00000 0.00112 29 2S 0.00402 0.00000 -0.00902 0.00000 -0.00167 30 2PX 0.00927 0.00000 0.05793 0.00000 -0.04251 31 2PY -0.00165 0.00000 0.03405 0.00000 0.02498 32 2PZ 0.00000 -0.00797 0.00000 -0.10763 0.00000 33 3S -0.21516 0.00000 0.33426 0.00000 0.17348 34 3PX -0.02241 0.00000 0.06495 0.00000 -0.04911 35 3PY -0.17591 0.00000 0.05847 0.00000 -0.03322 36 3PZ 0.00000 -0.04914 0.00000 -0.01495 0.00000 37 4S 2.42199 0.00000 -3.87621 0.00000 -0.84640 38 4PX -1.69339 0.00000 0.77343 0.00000 -0.15133 39 4PY -0.56700 0.00000 0.47499 0.00000 0.44432 40 4PZ 0.00000 -0.20091 0.00000 -0.65345 0.00000 41 5S -3.75651 0.00000 -2.67881 0.00000 3.67410 42 5PX 0.23839 0.00000 1.16522 0.00000 -1.51524 43 5PY 1.12113 0.00000 -0.51667 0.00000 0.78492 44 5PZ 0.00000 0.00222 0.00000 0.27190 0.00000 45 6D 0 -0.01761 0.00000 -0.00126 0.00000 -0.01537 46 6D+1 0.00000 -0.02205 0.00000 -0.01265 0.00000 47 6D-1 0.00000 0.01256 0.00000 0.05109 0.00000 48 6D+2 -0.03246 0.00000 -0.00917 0.00000 0.02856 49 6D-2 0.00369 0.00000 0.03386 0.00000 0.00735 50 7D 0 -0.27324 0.00000 0.50741 0.00000 0.05059 51 7D+1 0.00000 -0.12968 0.00000 0.10341 0.00000 52 7D-1 0.00000 0.52009 0.00000 -0.36949 0.00000 53 7D+2 -0.37360 0.00000 0.17003 0.00000 0.30350 54 7D-2 -0.49775 0.00000 0.31231 0.00000 0.55478 55 3 O 1S -0.07898 0.00000 -0.02877 0.00000 0.03756 56 2S -0.16184 0.00000 -0.05855 0.00000 0.07920 57 2PX -0.01469 0.00000 0.00328 0.00000 -0.05591 58 2PY -0.04875 0.00000 -0.02128 0.00000 0.01867 59 2PZ 0.00000 -0.00592 0.00000 -0.00274 0.00000 60 3S 1.39834 0.00000 0.48992 0.00000 -0.77192 61 3PX -0.02945 0.00000 -0.02721 0.00000 -0.18684 62 3PY -0.24338 0.00000 0.00656 0.00000 0.14691 63 3PZ 0.00000 -0.05214 0.00000 -0.02549 0.00000 64 4S -4.21402 0.00000 -0.24726 0.00000 2.88898 65 4PX -0.19263 0.00000 -0.27652 0.00000 1.85347 66 4PY -0.00807 0.00000 0.77308 0.00000 -0.54743 67 4PZ 0.00000 0.55863 0.00000 -0.08506 0.00000 68 5S 4.77849 0.00000 5.70466 0.00000 -6.30039 69 5PX 1.23566 0.00000 1.42781 0.00000 -2.89348 70 5PY -0.29210 0.00000 -0.06711 0.00000 1.26756 71 5PZ 0.00000 -0.00294 0.00000 -0.07808 0.00000 72 6D 0 -0.01250 0.00000 -0.00468 0.00000 0.01067 73 6D+1 0.00000 -0.00397 0.00000 0.00469 0.00000 74 6D-1 0.00000 -0.00491 0.00000 -0.00092 0.00000 75 6D+2 -0.00243 0.00000 0.00556 0.00000 -0.00417 76 6D-2 -0.01015 0.00000 -0.00184 0.00000 0.01277 77 7D 0 -0.32801 0.00000 -0.22442 0.00000 0.02115 78 7D+1 0.00000 -0.07522 0.00000 0.00996 0.00000 79 7D-1 0.00000 0.29199 0.00000 -0.13131 0.00000 80 7D+2 0.03119 0.00000 -0.06338 0.00000 0.10778 81 7D-2 -0.12993 0.00000 0.14228 0.00000 0.13873 82 4 O 1S -0.04641 0.00000 0.06144 0.00000 -0.07294 83 2S -0.09246 0.00000 0.12445 0.00000 -0.14991 84 2PX 0.02544 0.00000 -0.00813 0.00000 0.01964 85 2PY 0.01477 0.00000 -0.03727 0.00000 -0.03716 86 2PZ 0.00000 0.00896 0.00000 -0.01490 0.00000 87 3S 0.69117 0.00000 -1.02559 0.00000 1.32798 88 3PX 0.01981 0.00000 -0.01839 0.00000 0.12044 89 3PY 0.05693 0.00000 -0.07706 0.00000 -0.08727 90 3PZ 0.00000 0.01615 0.00000 -0.02614 0.00000 91 4S -0.88420 0.00000 2.05344 0.00000 -3.72749 92 4PX -0.41334 0.00000 -0.31959 0.00000 0.84713 93 4PY -0.00050 0.00000 0.27429 0.00000 -0.33565 94 4PZ 0.00000 -0.07727 0.00000 0.07346 0.00000 95 5S -0.95065 0.00000 -5.08839 0.00000 8.05787 96 5PX 0.60930 0.00000 1.38990 0.00000 -2.26297 97 5PY 0.00168 0.00000 -0.87127 0.00000 1.19320 98 5PZ 0.00000 -0.00262 0.00000 0.00892 0.00000 99 6D 0 -0.00068 0.00000 0.00272 0.00000 -0.01176 100 6D+1 0.00000 0.00461 0.00000 -0.00162 0.00000 101 6D-1 0.00000 0.00469 0.00000 0.00177 0.00000 102 6D+2 0.00023 0.00000 -0.01042 0.00000 0.00355 103 6D-2 0.00051 0.00000 0.00554 0.00000 -0.01337 104 7D 0 -0.36927 0.00000 -0.22946 0.00000 -0.39870 105 7D+1 0.00000 0.47001 0.00000 -0.04894 0.00000 106 7D-1 0.00000 0.80748 0.00000 0.18650 0.00000 107 7D+2 0.07105 0.00000 -0.27464 0.00000 -0.28771 108 7D-2 0.00594 0.00000 0.18089 0.00000 -0.01790 109 5 H 1S 0.00249 0.00000 0.03605 0.00000 0.07181 110 2S 0.47817 0.00000 0.14911 0.00000 -0.40457 111 3S 0.12000 0.00000 0.01166 0.00000 0.18384 112 4PX 0.05521 0.00000 -0.25885 0.00000 -0.19036 113 4PY -0.16389 0.00000 0.30658 0.00000 0.21105 114 4PZ 0.00000 -0.07535 0.00000 0.54929 0.00000 115 6 H 1S 0.00203 -0.04637 0.00492 0.01233 0.00025 116 2S 0.11031 0.20807 0.05140 -0.24638 0.08018 117 3S -0.11886 -0.05409 0.10832 -0.16451 0.09382 118 4PX 0.00571 -0.03163 0.20042 -0.35166 0.07161 119 4PY 0.02126 -0.05362 0.18436 0.25900 0.09495 120 4PZ 0.00109 0.05590 -0.05513 -0.40748 -0.03603 121 7 H 1S 0.00203 0.04637 0.00492 -0.01233 0.00025 122 2S 0.11031 -0.20807 0.05140 0.24638 0.08018 123 3S -0.11886 0.05409 0.10832 0.16451 0.09382 124 4PX 0.00571 0.03163 0.20042 0.35166 0.07161 125 4PY 0.02126 0.05362 0.18436 -0.25900 0.09495 126 4PZ -0.00109 0.05590 0.05513 -0.40748 0.03603 127 8 H 1S 0.05128 0.00000 -0.00506 0.00000 -0.01260 128 2S 0.21559 0.00000 -0.25742 0.00000 -0.33409 129 3S -0.01216 0.00000 0.02675 0.00000 -0.36099 130 4PX 0.07628 0.00000 -0.24076 0.00000 -0.16822 131 4PY -0.01756 0.00000 0.31488 0.00000 0.12262 132 4PZ 0.00000 0.05362 0.00000 -0.51707 0.00000 76 77 78 79 80 V V V V V Eigenvalues -- 1.65495 1.82024 1.83212 1.84147 1.85518 1 1 C 1S -0.00239 0.00621 0.00744 0.00000 0.00000 2 2S -0.00926 0.01578 0.02531 0.00000 0.00000 3 2PX -0.01704 -0.12773 -0.10417 0.00000 0.00000 4 2PY 0.00341 -0.19591 0.05235 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.05951 0.13313 6 3S 0.18419 -0.13662 -0.27708 0.00000 0.00000 7 3PX 0.08810 -0.11087 0.27843 0.00000 0.00000 8 3PY 0.07457 0.19478 -0.12593 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.03770 -0.02466 10 4S -0.81550 -0.54638 1.57911 0.00000 0.00000 11 4PX -0.07457 -0.91433 0.20468 0.00000 0.00000 12 4PY 0.41400 -0.79942 0.02282 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.34335 0.66505 14 5S -2.13834 0.35051 1.70755 0.00000 0.00000 15 5PX -0.36263 -0.01314 0.54358 0.00000 0.00000 16 5PY 0.24437 -0.44018 -0.20471 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.02182 0.18465 18 6D 0 -0.01862 0.02859 0.04645 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00996 0.00883 20 6D-1 0.00000 0.00000 0.00000 -0.03185 -0.06840 21 6D+2 -0.00858 0.00576 -0.05782 0.00000 0.00000 22 6D-2 0.00268 0.00513 0.05573 0.00000 0.00000 23 7D 0 0.11754 0.52249 -0.51704 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 -0.15747 0.59135 25 7D-1 0.00000 0.00000 0.00000 0.16429 -0.40753 26 7D+2 0.10740 -0.81203 0.60622 0.00000 0.00000 27 7D-2 0.00530 -0.97997 -0.62641 0.00000 0.00000 28 2 C 1S 0.00030 -0.00470 -0.01410 0.00000 0.00000 29 2S -0.00654 0.00199 -0.01976 0.00000 0.00000 30 2PX -0.00294 0.07293 -0.07342 0.00000 0.00000 31 2PY -0.06323 0.04209 0.00437 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 -0.24226 -0.15616 33 3S -0.05755 -0.33507 0.09740 0.00000 0.00000 34 3PX 0.04117 -0.22015 0.39648 0.00000 0.00000 35 3PY -0.50093 -0.16192 -0.13179 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.13612 -0.00957 37 4S 5.04118 2.28300 -1.01564 0.00000 0.00000 38 4PX -0.34017 0.84559 0.96646 0.00000 0.00000 39 4PY -3.03912 0.42640 -0.61165 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 -0.34750 -0.45196 41 5S 2.02530 -0.29349 -1.49508 0.00000 0.00000 42 5PX -1.01855 0.27012 0.24999 0.00000 0.00000 43 5PY 0.30435 0.49647 -0.17399 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.11008 0.12716 45 6D 0 -0.04951 0.00005 0.03575 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00279 -0.00559 47 6D-1 0.00000 0.00000 0.00000 -0.08398 0.00744 48 6D+2 -0.02311 0.00363 -0.05587 0.00000 0.00000 49 6D-2 0.00936 0.00019 0.06791 0.00000 0.00000 50 7D 0 -0.44643 -0.59975 0.11036 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 -0.59386 0.83698 52 7D-1 0.00000 0.00000 0.00000 0.67143 0.47538 53 7D+2 -0.59157 -0.94982 -0.13766 0.00000 0.00000 54 7D-2 0.37656 -1.40129 0.19900 0.00000 0.00000 55 3 O 1S -0.01711 0.01370 -0.00376 0.00000 0.00000 56 2S -0.03848 0.02837 -0.00891 0.00000 0.00000 57 2PX -0.02779 0.00040 -0.00053 0.00000 0.00000 58 2PY -0.01220 -0.03381 -0.00859 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 -0.04431 -0.00412 60 3S 0.44656 -0.22395 0.11411 0.00000 0.00000 61 3PX -0.13144 0.04842 0.03050 0.00000 0.00000 62 3PY 0.06993 -0.29838 0.01435 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 -0.07955 -0.08956 64 4S -3.08699 -1.37846 -0.44110 0.00000 0.00000 65 4PX 1.31753 -1.04088 -0.15779 0.00000 0.00000 66 4PY -2.33643 0.00535 -0.29109 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.74847 0.75147 68 5S -4.50002 -0.52584 0.49712 0.00000 0.00000 69 5PX -0.96573 -0.40456 0.31587 0.00000 0.00000 70 5PY -0.50876 -0.16051 -0.05086 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.02249 -0.27612 72 6D 0 -0.01475 0.00517 -0.00085 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00531 -0.00450 74 6D-1 0.00000 0.00000 0.00000 0.02015 0.00438 75 6D+2 -0.01087 -0.00536 -0.00147 0.00000 0.00000 76 6D-2 0.00145 -0.00457 0.00105 0.00000 0.00000 77 7D 0 -0.27427 0.30060 0.07519 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.23837 0.08137 79 7D-1 0.00000 0.00000 0.00000 1.04945 0.20701 80 7D+2 0.26536 0.04871 -0.02899 0.00000 0.00000 81 7D-2 0.22665 -0.36462 -0.01573 0.00000 0.00000 82 4 O 1S -0.01559 -0.01061 -0.00165 0.00000 0.00000 83 2S -0.03283 -0.02104 -0.00299 0.00000 0.00000 84 2PX 0.02329 0.00243 -0.01354 0.00000 0.00000 85 2PY -0.03471 0.04858 -0.00335 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 -0.00580 0.03100 87 3S 0.32333 0.15470 0.00910 0.00000 0.00000 88 3PX 0.10072 -0.02714 -0.04253 0.00000 0.00000 89 3PY -0.07362 0.11951 -0.00102 0.00000 0.00000 90 3PZ 0.00000 0.00000 0.00000 -0.01721 0.06869 91 4S -1.31424 0.29862 0.08829 0.00000 0.00000 92 4PX 0.34342 -0.30926 0.03990 0.00000 0.00000 93 4PY -0.02163 -0.15030 0.06101 0.00000 0.00000 94 4PZ 0.00000 0.00000 0.00000 -0.02218 -0.28961 95 5S 2.68662 0.79787 -0.73713 0.00000 0.00000 96 5PX -0.58060 -0.16039 0.20770 0.00000 0.00000 97 5PY 0.42786 0.18807 -0.18445 0.00000 0.00000 98 5PZ 0.00000 0.00000 0.00000 -0.05131 0.09347 99 6D 0 0.00369 0.00016 0.00077 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00119 0.00552 101 6D-1 0.00000 0.00000 0.00000 -0.00201 -0.00645 102 6D+2 0.00016 0.00955 -0.00262 0.00000 0.00000 103 6D-2 -0.01140 0.00380 0.00030 0.00000 0.00000 104 7D 0 0.61755 0.04248 -0.01370 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 -0.11572 0.36655 106 7D-1 0.00000 0.00000 0.00000 -0.22406 -0.32969 107 7D+2 0.01920 0.31750 -0.11853 0.00000 0.00000 108 7D-2 -0.52977 0.07722 -0.13768 0.00000 0.00000 109 5 H 1S 0.05466 -0.24707 0.08239 0.00000 0.00000 110 2S -0.48443 0.77729 -0.32398 0.00000 0.00000 111 3S 0.99374 -1.19923 0.14504 0.00000 0.00000 112 4PX -0.10230 -0.02628 0.00458 0.00000 0.00000 113 4PY 0.07706 -0.20164 0.16366 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 0.44574 -0.82973 115 6 H 1S -0.00257 0.09034 0.01138 -0.07851 -0.23706 116 2S 0.08343 -0.44772 0.14654 0.09661 0.54429 117 3S -0.02745 0.48133 -0.22160 -0.01077 -0.75858 118 4PX 0.10529 0.47691 0.68560 -0.06687 -0.39991 119 4PY 0.14046 0.24958 -0.25012 -0.04577 0.18897 120 4PZ -0.03084 -0.06804 0.11552 0.07106 -0.09325 121 7 H 1S -0.00257 0.09034 0.01138 0.07851 0.23706 122 2S 0.08343 -0.44772 0.14654 -0.09661 -0.54429 123 3S -0.02745 0.48133 -0.22160 0.01077 0.75858 124 4PX 0.10529 0.47691 0.68560 0.06687 0.39991 125 4PY 0.14046 0.24958 -0.25012 0.04577 -0.18897 126 4PZ 0.03084 0.06804 -0.11552 0.07106 -0.09325 127 8 H 1S 0.01766 -0.14464 0.00444 0.00000 0.00000 128 2S 0.10063 0.92763 0.16970 0.00000 0.00000 129 3S 0.17493 -1.11041 -0.13491 0.00000 0.00000 130 4PX -0.11068 -0.32973 0.61334 0.00000 0.00000 131 4PY 0.20438 0.42929 -0.40781 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.15171 -0.13859 81 82 83 84 85 V V V V V Eigenvalues -- 1.97632 2.08073 2.14146 2.15434 2.21219 1 1 C 1S -0.00153 0.00486 0.00000 -0.00495 0.00000 2 2S -0.00643 0.00314 0.00000 -0.01391 0.00000 3 2PX -0.03759 -0.09748 0.00000 -0.13402 0.00000 4 2PY -0.06645 0.14640 0.00000 -0.38479 0.00000 5 2PZ 0.00000 0.00000 0.43314 0.00000 0.16774 6 3S 0.14306 -0.08611 0.00000 0.22792 0.00000 7 3PX -0.01711 -0.05429 0.00000 -0.06512 0.00000 8 3PY 0.03705 0.02274 0.00000 -0.60939 0.00000 9 3PZ 0.00000 0.00000 0.39262 0.00000 0.57787 10 4S -1.21865 0.58792 0.00000 -0.20880 0.00000 11 4PX -0.45843 0.06466 0.00000 -0.33006 0.00000 12 4PY -0.09844 0.28390 0.00000 -0.85856 0.00000 13 4PZ 0.00000 0.00000 0.87738 0.00000 0.61248 14 5S 0.81142 1.69832 0.00000 -1.59053 0.00000 15 5PX 0.32898 0.34100 0.00000 -0.53898 0.00000 16 5PY 0.02614 -0.24795 0.00000 -0.17325 0.00000 17 5PZ 0.00000 0.00000 0.33660 0.00000 0.03913 18 6D 0 -0.02729 -0.03016 0.00000 0.13429 0.00000 19 6D+1 0.00000 0.00000 0.03670 0.00000 0.05571 20 6D-1 0.00000 0.00000 -0.15332 0.00000 -0.09285 21 6D+2 -0.03325 0.02727 0.00000 -0.05754 0.00000 22 6D-2 -0.00399 -0.10899 0.00000 -0.13630 0.00000 23 7D 0 0.24016 -0.04425 0.00000 -1.05855 0.00000 24 7D+1 0.00000 0.00000 -0.36492 0.00000 -0.44736 25 7D-1 0.00000 0.00000 0.91538 0.00000 1.20159 26 7D+2 0.00755 0.06700 0.00000 0.25679 0.00000 27 7D-2 -0.07289 0.33214 0.00000 0.92569 0.00000 28 2 C 1S -0.00940 0.01869 0.00000 -0.00146 0.00000 29 2S -0.02634 0.03908 0.00000 -0.00744 0.00000 30 2PX 0.00987 -0.16390 0.00000 0.00733 0.00000 31 2PY -0.14451 0.05498 0.00000 0.07859 0.00000 32 2PZ 0.00000 0.00000 0.02887 0.00000 0.03092 33 3S 0.27640 -0.52977 0.00000 0.14553 0.00000 34 3PX -0.06645 -0.00718 0.00000 0.09596 0.00000 35 3PY -0.75918 0.34649 0.00000 -0.02949 0.00000 36 3PZ 0.00000 0.00000 0.03558 0.00000 0.09246 37 4S 2.86883 0.97182 0.00000 -0.26041 0.00000 38 4PX -0.61379 0.39865 0.00000 -0.54678 0.00000 39 4PY -0.74711 -0.53334 0.00000 -0.38743 0.00000 40 4PZ 0.00000 0.00000 0.22856 0.00000 0.25218 41 5S -0.73789 -1.69065 0.00000 1.26636 0.00000 42 5PX 0.05148 0.29693 0.00000 -0.33627 0.00000 43 5PY -0.30628 -0.10094 0.00000 0.40914 0.00000 44 5PZ 0.00000 0.00000 -0.16330 0.00000 -0.03535 45 6D 0 -0.02771 -0.07609 0.00000 0.02126 0.00000 46 6D+1 0.00000 0.00000 -0.03001 0.00000 -0.01839 47 6D-1 0.00000 0.00000 -0.03523 0.00000 0.07959 48 6D+2 -0.01232 0.06964 0.00000 0.01295 0.00000 49 6D-2 0.06506 -0.13988 0.00000 0.01986 0.00000 50 7D 0 -0.32192 -0.26840 0.00000 0.32000 0.00000 51 7D+1 0.00000 0.00000 -0.06787 0.00000 -0.66511 52 7D-1 0.00000 0.00000 -0.15363 0.00000 -0.54210 53 7D+2 -0.64615 0.46180 0.00000 -0.06551 0.00000 54 7D-2 -0.24842 0.52543 0.00000 0.55379 0.00000 55 3 O 1S -0.03509 -0.03290 0.00000 -0.00331 0.00000 56 2S -0.07385 -0.06534 0.00000 -0.00517 0.00000 57 2PX 0.08277 0.03724 0.00000 -0.01653 0.00000 58 2PY -0.04533 -0.01035 0.00000 0.01879 0.00000 59 2PZ 0.00000 0.00000 -0.01747 0.00000 0.00277 60 3S 0.71547 0.48417 0.00000 0.00853 0.00000 61 3PX 0.24393 0.23310 0.00000 -0.07548 0.00000 62 3PY -0.07799 -0.12886 0.00000 0.06435 0.00000 63 3PZ 0.00000 0.00000 0.05760 0.00000 -0.07442 64 4S -2.70134 -0.13368 0.00000 0.33513 0.00000 65 4PX -0.41527 0.04513 0.00000 0.98195 0.00000 66 4PY -1.57201 0.67987 0.00000 -0.27481 0.00000 67 4PZ 0.00000 0.00000 -0.49791 0.00000 0.12107 68 5S -0.13312 0.24666 0.00000 -1.33346 0.00000 69 5PX 0.62065 0.23817 0.00000 -0.81368 0.00000 70 5PY -0.38425 -0.46176 0.00000 0.23583 0.00000 71 5PZ 0.00000 0.00000 0.00457 0.00000 -0.17957 72 6D 0 0.01413 0.01233 0.00000 -0.00274 0.00000 73 6D+1 0.00000 0.00000 -0.01041 0.00000 0.01651 74 6D-1 0.00000 0.00000 0.00190 0.00000 -0.00870 75 6D+2 -0.01335 -0.02412 0.00000 0.00009 0.00000 76 6D-2 0.00451 0.03151 0.00000 0.00460 0.00000 77 7D 0 0.64453 0.05601 0.00000 -0.20624 0.00000 78 7D+1 0.00000 0.00000 -0.49423 0.00000 0.80864 79 7D-1 0.00000 0.00000 0.05038 0.00000 -0.45834 80 7D+2 0.00401 -0.39432 0.00000 -0.00335 0.00000 81 7D-2 -0.01092 0.60930 0.00000 0.15854 0.00000 82 4 O 1S -0.01456 -0.04343 0.00000 0.00133 0.00000 83 2S -0.02755 -0.08632 0.00000 0.00195 0.00000 84 2PX -0.07229 -0.10094 0.00000 0.00949 0.00000 85 2PY 0.01054 0.06508 0.00000 -0.02986 0.00000 86 2PZ 0.00000 0.00000 -0.00411 0.00000 -0.01718 87 3S 0.14192 0.64567 0.00000 0.01881 0.00000 88 3PX -0.24634 -0.32007 0.00000 0.04367 0.00000 89 3PY 0.02742 0.21585 0.00000 -0.07525 0.00000 90 3PZ 0.00000 0.00000 -0.05651 0.00000 0.05569 91 4S 0.36544 -0.55848 0.00000 -0.59766 0.00000 92 4PX 0.21548 0.37196 0.00000 0.27555 0.00000 93 4PY 0.35821 -0.60933 0.00000 0.07451 0.00000 94 4PZ 0.00000 0.00000 0.35986 0.00000 -0.40534 95 5S -1.03146 -0.43477 0.00000 1.62928 0.00000 96 5PX 0.25557 0.09119 0.00000 -0.45018 0.00000 97 5PY -0.18030 0.10333 0.00000 0.16712 0.00000 98 5PZ 0.00000 0.00000 -0.04145 0.00000 0.16388 99 6D 0 0.00974 0.01729 0.00000 -0.00108 0.00000 100 6D+1 0.00000 0.00000 -0.00641 0.00000 0.00448 101 6D-1 0.00000 0.00000 0.00270 0.00000 0.00062 102 6D+2 -0.02017 -0.01007 0.00000 -0.00476 0.00000 103 6D-2 0.00606 0.02069 0.00000 -0.00430 0.00000 104 7D 0 0.07558 0.30581 0.00000 0.01870 0.00000 105 7D+1 0.00000 0.00000 -0.52711 0.00000 0.67783 106 7D-1 0.00000 0.00000 0.23003 0.00000 -0.22973 107 7D+2 -0.64434 0.15636 0.00000 -0.14728 0.00000 108 7D-2 -0.18990 0.50663 0.00000 -0.00595 0.00000 109 5 H 1S 0.26681 0.12984 0.00000 0.00654 0.00000 110 2S -0.08603 -1.06102 0.00000 0.04174 0.00000 111 3S 0.56498 0.42425 0.00000 0.30557 0.00000 112 4PX -0.07883 -0.10443 0.00000 0.27083 0.00000 113 4PY -0.58265 0.33814 0.00000 -0.07452 0.00000 114 4PZ 0.00000 0.00000 0.04987 0.00000 0.53709 115 6 H 1S 0.02744 -0.02593 -0.48988 0.35538 -0.17492 116 2S 0.04542 0.00362 -0.40583 0.40984 -1.07848 117 3S 0.02380 -0.20034 -0.91029 0.65538 -0.18512 118 4PX -0.02116 0.01084 0.01737 0.01617 0.03876 119 4PY 0.20204 -0.03542 0.40596 -0.41508 0.29506 120 4PZ -0.12438 0.11615 0.51566 -0.31412 0.51706 121 7 H 1S 0.02744 -0.02593 0.48988 0.35538 0.17492 122 2S 0.04542 0.00362 0.40583 0.40984 1.07848 123 3S 0.02380 -0.20034 0.91029 0.65538 0.18512 124 4PX -0.02116 0.01084 -0.01737 0.01617 -0.03876 125 4PY 0.20204 -0.03542 -0.40596 -0.41508 -0.29506 126 4PZ 0.12438 -0.11615 0.51566 0.31412 0.51706 127 8 H 1S 0.00920 -0.22289 0.00000 -0.59825 0.00000 128 2S 0.09596 0.07808 0.00000 -0.89066 0.00000 129 3S 0.07879 -0.28367 0.00000 -1.01326 0.00000 130 4PX 0.00737 -0.11017 0.00000 -0.67881 0.00000 131 4PY -0.00216 -0.06249 0.00000 -0.60162 0.00000 132 4PZ 0.00000 0.00000 -0.08870 0.00000 0.08652 86 87 88 89 90 V V V V V Eigenvalues -- 2.25106 2.28398 2.28857 2.36120 2.47276 1 1 C 1S -0.00334 -0.06124 0.00000 0.00897 -0.02941 2 2S -0.01058 -0.12482 0.00000 0.01717 -0.07032 3 2PX 0.03798 -0.32832 0.00000 -0.02269 0.01181 4 2PY 0.21796 0.09521 0.00000 -0.07429 0.12844 5 2PZ 0.00000 0.00000 -0.01771 0.00000 0.00000 6 3S 0.16456 0.79979 0.00000 -0.23461 0.84741 7 3PX -0.06296 -0.12357 0.00000 -0.48714 0.89141 8 3PY 0.03826 -0.10647 0.00000 -0.67154 0.12083 9 3PZ 0.00000 0.00000 0.46052 0.00000 0.00000 10 4S -1.30414 -0.99394 0.00000 0.06171 1.76864 11 4PX -0.50212 -2.01344 0.00000 -0.19218 0.67063 12 4PY 0.59019 0.72918 0.00000 -1.01878 0.35422 13 4PZ 0.00000 0.00000 1.09115 0.00000 0.00000 14 5S 0.23845 6.78276 0.00000 -3.18168 0.84324 15 5PX 0.04445 1.42769 0.00000 -0.46426 0.01783 16 5PY -0.09851 -0.64575 0.00000 0.74284 -0.13580 17 5PZ 0.00000 0.00000 -0.36048 0.00000 0.00000 18 6D 0 -0.00978 -0.02596 0.00000 -0.08112 -0.00367 19 6D+1 0.00000 0.00000 0.04767 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.01859 0.00000 0.00000 21 6D+2 -0.02628 0.07033 0.00000 -0.02647 -0.03270 22 6D-2 0.00682 -0.06653 0.00000 0.00064 0.02734 23 7D 0 -0.34587 0.27447 0.00000 -1.02060 0.38042 24 7D+1 0.00000 0.00000 1.39092 0.00000 0.00000 25 7D-1 0.00000 0.00000 1.12580 0.00000 0.00000 26 7D+2 -0.59737 -0.37833 0.00000 -0.73932 0.00301 27 7D-2 -0.09515 0.61865 0.00000 0.02717 -0.76890 28 2 C 1S -0.02147 -0.00452 0.00000 -0.00409 -0.02902 29 2S -0.04256 -0.01729 0.00000 -0.02271 -0.08144 30 2PX 0.35137 0.11844 0.00000 -0.05839 -0.05170 31 2PY 0.26220 -0.03570 0.00000 0.01039 -0.07028 32 2PZ 0.00000 0.00000 -0.26383 0.00000 0.00000 33 3S 0.18009 0.27972 0.00000 0.42856 0.90719 34 3PX -0.01069 -0.32707 0.00000 -0.35605 0.24071 35 3PY -0.12691 -0.07480 0.00000 -1.65057 -0.45219 36 3PZ 0.00000 0.00000 0.22409 0.00000 0.00000 37 4S 2.75479 2.22610 0.00000 1.90849 0.08239 38 4PX -0.51918 -1.09079 0.00000 -0.39320 1.22408 39 4PY 0.00015 0.58258 0.00000 -1.69696 -1.36869 40 4PZ 0.00000 0.00000 -0.59964 0.00000 0.00000 41 5S -0.02811 -5.54871 0.00000 3.36507 -0.87621 42 5PX 0.44143 1.29938 0.00000 -1.02866 0.34945 43 5PY 0.24120 -0.41912 0.00000 0.10068 0.06564 44 5PZ 0.00000 0.00000 0.20728 0.00000 0.00000 45 6D 0 0.06325 -0.00086 0.00000 -0.04625 0.02356 46 6D+1 0.00000 0.00000 -0.07455 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.06629 0.00000 0.00000 48 6D+2 -0.04282 0.01654 0.00000 0.12548 0.03930 49 6D-2 -0.03812 0.00994 0.00000 0.09735 -0.05321 50 7D 0 -0.31393 0.00894 0.00000 0.15201 -0.17445 51 7D+1 0.00000 0.00000 0.45020 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.92074 0.00000 0.00000 53 7D+2 0.05891 0.19134 0.00000 -1.01432 -1.79299 54 7D-2 0.28328 -0.26588 0.00000 -1.57608 1.62155 55 3 O 1S -0.01881 -0.00176 0.00000 -0.02137 0.01555 56 2S -0.03757 -0.00505 0.00000 -0.04504 0.03505 57 2PX -0.00525 -0.00902 0.00000 -0.01845 0.04782 58 2PY 0.01618 0.01283 0.00000 -0.00706 -0.06093 59 2PZ 0.00000 0.00000 -0.01241 0.00000 0.00000 60 3S 0.32917 0.10107 0.00000 0.54721 -0.43221 61 3PX 0.00424 -0.01909 0.00000 -0.08363 -0.02175 62 3PY 0.06742 0.06825 0.00000 -0.07758 -0.15368 63 3PZ 0.00000 0.00000 -0.00323 0.00000 0.00000 64 4S -0.67424 -0.43300 0.00000 -3.33909 -0.31218 65 4PX 0.70720 -0.32514 0.00000 0.13282 2.68292 66 4PY -1.03157 -0.24031 0.00000 -2.23460 -1.35804 67 4PZ 0.00000 0.00000 -0.59930 0.00000 0.00000 68 5S -1.81839 -0.72912 0.00000 -1.35763 -1.67698 69 5PX -1.01545 -0.59634 0.00000 0.37397 -1.40893 70 5PY 0.44531 0.48623 0.00000 -0.39894 0.49311 71 5PZ 0.00000 0.00000 0.20463 0.00000 0.00000 72 6D 0 0.00971 -0.00245 0.00000 0.01100 -0.00410 73 6D+1 0.00000 0.00000 -0.00877 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00346 0.00000 0.00000 75 6D+2 -0.01475 0.00827 0.00000 0.01126 0.01466 76 6D-2 0.00134 -0.01075 0.00000 0.00582 0.02510 77 7D 0 0.15064 0.06380 0.00000 0.35866 -0.24483 78 7D+1 0.00000 0.00000 -0.19723 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.38030 0.00000 0.00000 80 7D+2 -0.19500 0.09590 0.00000 0.96179 0.89304 81 7D-2 -0.14063 -0.16364 0.00000 0.01178 0.67996 82 4 O 1S -0.01158 0.00861 0.00000 0.00452 -0.00011 83 2S -0.02346 0.01753 0.00000 0.00877 -0.00393 84 2PX -0.02336 0.02034 0.00000 0.01321 0.02454 85 2PY 0.00228 -0.01414 0.00000 -0.01260 -0.07729 86 2PZ 0.00000 0.00000 0.00150 0.00000 0.00000 87 3S 0.20852 -0.15526 0.00000 -0.04223 0.19407 88 3PX -0.07136 0.05323 0.00000 0.06928 0.09666 89 3PY -0.02947 -0.03968 0.00000 0.00629 -0.07112 90 3PZ 0.00000 0.00000 -0.01454 0.00000 0.00000 91 4S -0.66044 0.35089 0.00000 -0.09084 -1.96168 92 4PX 0.49979 -0.25876 0.00000 0.04943 1.10352 93 4PY 0.17667 0.25914 0.00000 -0.04788 -0.56862 94 4PZ 0.00000 0.00000 0.15477 0.00000 0.00000 95 5S 1.98698 1.32127 0.00000 -0.23374 1.92226 96 5PX -0.71342 -0.39831 0.00000 0.15188 -0.64764 97 5PY 0.18446 0.09548 0.00000 0.03879 0.15572 98 5PZ 0.00000 0.00000 -0.11173 0.00000 0.00000 99 6D 0 0.00432 -0.00405 0.00000 -0.00132 -0.00723 100 6D+1 0.00000 0.00000 -0.00231 0.00000 0.00000 101 6D-1 0.00000 0.00000 -0.00040 0.00000 0.00000 102 6D+2 -0.00921 0.00189 0.00000 0.00498 -0.00931 103 6D-2 0.00001 -0.00451 0.00000 -0.00385 -0.00435 104 7D 0 0.07032 -0.08058 0.00000 0.04184 0.13869 105 7D+1 0.00000 0.00000 -0.13061 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.07284 0.00000 0.00000 107 7D+2 -0.38540 -0.02088 0.00000 0.09396 -0.06755 108 7D-2 -0.16191 -0.13488 0.00000 0.20031 0.60630 109 5 H 1S -0.69358 -0.07659 0.00000 -0.06451 -0.00193 110 2S 0.39453 0.25749 0.00000 2.28673 -0.93280 111 3S -1.21861 -0.06801 0.00000 -0.04616 0.11222 112 4PX 0.53709 -0.09612 0.00000 -0.84463 0.81987 113 4PY 0.18905 0.02342 0.00000 -0.32812 -0.61654 114 4PZ 0.00000 0.00000 0.17131 0.00000 0.00000 115 6 H 1S -0.00348 -0.63235 0.15920 -0.17303 -0.00528 116 2S -0.03325 0.65347 -1.29372 0.83774 -0.50895 117 3S -0.12511 -1.42505 0.31652 -0.09841 -0.12869 118 4PX 0.00735 -0.02949 -0.76286 0.09553 0.12240 119 4PY -0.34388 0.28417 -0.06775 -0.55624 0.15561 120 4PZ 0.38964 0.36197 0.27677 0.07551 0.23885 121 7 H 1S -0.00348 -0.63235 -0.15920 -0.17303 -0.00528 122 2S -0.03325 0.65347 1.29372 0.83774 -0.50895 123 3S -0.12511 -1.42505 -0.31652 -0.09841 -0.12869 124 4PX 0.00735 -0.02949 0.76286 0.09553 0.12240 125 4PY -0.34388 0.28417 0.06775 -0.55624 0.15561 126 4PZ -0.38964 -0.36197 0.27677 -0.07551 -0.23885 127 8 H 1S 0.12115 -0.62433 0.00000 0.55446 -0.17179 128 2S -0.14934 0.27222 0.00000 -2.19785 1.27633 129 3S 0.27261 -1.61717 0.00000 1.00426 -0.52650 130 4PX -0.29509 -0.39871 0.00000 -0.68246 0.22418 131 4PY 0.39109 -0.55024 0.00000 -0.10277 0.32090 132 4PZ 0.00000 0.00000 0.98127 0.00000 0.00000 91 92 93 94 95 V V V V V Eigenvalues -- 2.49479 2.55471 2.60496 2.68795 2.72208 1 1 C 1S 0.01144 -0.00061 0.00000 0.02962 -0.01218 2 2S 0.01098 0.00040 0.00000 0.07624 -0.02349 3 2PX -0.04701 0.08144 0.00000 -0.17605 0.16899 4 2PY 0.16701 0.04074 0.00000 -0.28316 -0.17872 5 2PZ 0.00000 0.00000 0.07679 0.00000 0.00000 6 3S -0.03647 -0.02062 0.00000 -0.78221 -0.00501 7 3PX -0.11621 -0.46049 0.00000 0.35256 -0.16386 8 3PY -0.00551 -0.74911 0.00000 0.85360 1.02332 9 3PZ 0.00000 0.00000 -1.43537 0.00000 0.00000 10 4S -0.46224 -0.03092 0.00000 -1.94366 0.55886 11 4PX 0.31065 -0.00511 0.00000 -0.43596 0.60388 12 4PY 1.39783 -0.39149 0.00000 0.11781 0.68937 13 4PZ 0.00000 0.00000 -1.13234 0.00000 0.00000 14 5S -3.01136 -0.18041 0.00000 4.82893 -2.96118 15 5PX -0.64341 0.06509 0.00000 1.03960 -0.93054 16 5PY 0.11584 0.35176 0.00000 -0.51879 -0.22538 17 5PZ 0.00000 0.00000 0.72826 0.00000 0.00000 18 6D 0 0.03235 0.01063 0.00000 -0.04160 0.05442 19 6D+1 0.00000 0.00000 -0.08922 0.00000 0.00000 20 6D-1 0.00000 0.00000 -0.03500 0.00000 0.00000 21 6D+2 0.01566 -0.02404 0.00000 0.09001 0.09309 22 6D-2 -0.09443 0.01469 0.00000 0.09921 0.03348 23 7D 0 0.41107 -0.02365 0.00000 0.06962 0.07611 24 7D+1 0.00000 0.00000 0.43682 0.00000 0.00000 25 7D-1 0.00000 0.00000 -0.51776 0.00000 0.00000 26 7D+2 1.09960 0.71369 0.00000 -0.52384 -0.14850 27 7D-2 0.77566 0.54999 0.00000 -0.48800 -0.14287 28 2 C 1S -0.04483 0.01200 0.00000 -0.02137 0.02985 29 2S -0.12065 0.03601 0.00000 -0.06351 0.07935 30 2PX 0.25777 0.16901 0.00000 -0.04727 -0.16791 31 2PY 0.01771 0.21237 0.00000 -0.04921 0.02202 32 2PZ 0.00000 0.00000 0.20940 0.00000 0.00000 33 3S 0.97057 -0.43450 0.00000 0.51330 -0.54796 34 3PX 0.21895 -0.36652 0.00000 0.75120 -0.69747 35 3PY -1.21142 0.03530 0.00000 0.06434 -0.45649 36 3PZ 0.00000 0.00000 -0.24530 0.00000 0.00000 37 4S 5.34117 -0.84634 0.00000 2.93066 -2.85969 38 4PX 0.08652 -0.24386 0.00000 -0.24299 -1.31098 39 4PY -2.84896 0.30843 0.00000 0.44444 -0.18759 40 4PZ 0.00000 0.00000 0.43386 0.00000 0.00000 41 5S 3.13628 0.15839 0.00000 -4.82185 2.99419 42 5PX -0.75234 0.20344 0.00000 1.27693 -0.48638 43 5PY 0.34630 -0.07917 0.00000 -0.69445 0.67535 44 5PZ 0.00000 0.00000 -0.30397 0.00000 0.00000 45 6D 0 0.04212 -0.04088 0.00000 -0.08162 0.09672 46 6D+1 0.00000 0.00000 0.06239 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.10829 0.00000 0.00000 48 6D+2 0.04763 -0.01126 0.00000 -0.00356 0.00709 49 6D-2 -0.13484 0.06287 0.00000 -0.00822 0.03387 50 7D 0 -0.85403 -0.00063 0.00000 -0.40418 0.55894 51 7D+1 0.00000 0.00000 -0.15178 0.00000 0.00000 52 7D-1 0.00000 0.00000 -0.17408 0.00000 0.00000 53 7D+2 0.53161 0.40836 0.00000 0.53134 0.21670 54 7D-2 0.95011 0.36915 0.00000 -0.79049 -0.83324 55 3 O 1S -0.03052 0.01109 0.00000 -0.00663 -0.00305 56 2S -0.07166 0.03215 0.00000 -0.01010 -0.00024 57 2PX -0.02598 0.14660 0.00000 0.04863 0.04523 58 2PY -0.00776 -0.02387 0.00000 -0.07311 0.04587 59 2PZ 0.00000 0.00000 -0.00407 0.00000 0.00000 60 3S 1.02202 -0.67989 0.00000 -0.10860 -0.17873 61 3PX -0.00644 0.12957 0.00000 0.06678 0.01560 62 3PY 0.15292 -0.08483 0.00000 0.06366 -0.01260 63 3PZ 0.00000 0.00000 0.02010 0.00000 0.00000 64 4S -4.43522 4.03442 0.00000 1.71300 1.79120 65 4PX 0.34468 2.21110 0.00000 1.27726 0.41795 66 4PY -2.42316 -0.12342 0.00000 -1.65271 0.13239 67 4PZ 0.00000 0.00000 -0.16521 0.00000 0.00000 68 5S -3.42402 -1.57704 0.00000 -2.28350 0.35380 69 5PX -0.70736 -0.89997 0.00000 -0.98130 0.24797 70 5PY -0.28923 0.42607 0.00000 0.54532 0.20751 71 5PZ 0.00000 0.00000 -0.01634 0.00000 0.00000 72 6D 0 0.00594 0.00240 0.00000 0.01164 0.00563 73 6D+1 0.00000 0.00000 0.00326 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00807 0.00000 0.00000 75 6D+2 0.01947 -0.01270 0.00000 -0.00638 0.00549 76 6D-2 -0.00797 0.00734 0.00000 -0.00075 -0.00225 77 7D 0 0.69379 -0.61434 0.00000 -0.15140 -0.26308 78 7D+1 0.00000 0.00000 0.08352 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.15523 0.00000 0.00000 80 7D+2 0.70403 0.28958 0.00000 0.77865 0.15339 81 7D-2 0.34523 -0.45102 0.00000 -0.97074 -0.28859 82 4 O 1S 0.00073 -0.01929 0.00000 -0.01169 -0.00430 83 2S 0.00341 -0.04605 0.00000 -0.03059 -0.01094 84 2PX -0.01798 0.06873 0.00000 0.09155 0.03626 85 2PY -0.00402 -0.02244 0.00000 -0.03200 -0.00320 86 2PZ 0.00000 0.00000 -0.00323 0.00000 0.00000 87 3S -0.10273 0.71587 0.00000 0.58790 0.20882 88 3PX 0.00297 0.04520 0.00000 0.08417 0.02414 89 3PY 0.02678 -0.01855 0.00000 -0.01514 -0.01935 90 3PZ 0.00000 0.00000 0.00686 0.00000 0.00000 91 4S 0.32575 -3.23015 0.00000 -2.72291 -0.98988 92 4PX -0.31979 2.09954 0.00000 1.84761 0.68764 93 4PY 0.11123 -0.90414 0.00000 -0.68395 -0.18936 94 4PZ 0.00000 0.00000 -0.03214 0.00000 0.00000 95 5S 1.32425 1.92041 0.00000 2.15430 0.15771 96 5PX -0.22389 -0.91926 0.00000 -1.01064 -0.17697 97 5PY 0.12494 0.36939 0.00000 0.28371 0.08115 98 5PZ 0.00000 0.00000 0.02909 0.00000 0.00000 99 6D 0 0.00343 0.00299 0.00000 -0.00049 0.00098 100 6D+1 0.00000 0.00000 0.00088 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00005 0.00000 0.00000 102 6D+2 -0.00146 0.00113 0.00000 0.00765 0.00200 103 6D-2 -0.00153 0.00332 0.00000 -0.00238 0.00059 104 7D 0 -0.12018 0.55997 0.00000 0.50471 0.18380 105 7D+1 0.00000 0.00000 0.05780 0.00000 0.00000 106 7D-1 0.00000 0.00000 -0.01684 0.00000 0.00000 107 7D+2 0.24424 -0.64968 0.00000 -0.62153 -0.27723 108 7D-2 -0.05687 0.67377 0.00000 0.50631 0.21592 109 5 H 1S -0.38946 -0.51271 0.00000 0.63086 -0.84788 110 2S -0.92122 0.68891 0.00000 -1.93808 3.70824 111 3S -0.07710 -0.46522 0.00000 0.64389 -0.77062 112 4PX 0.20286 -0.05437 0.00000 0.33042 -1.06003 113 4PY 0.72005 0.05433 0.00000 0.75790 -0.46988 114 4PZ 0.00000 0.00000 0.14851 0.00000 0.00000 115 6 H 1S 0.35007 -0.22546 -0.92429 -0.05732 0.40719 116 2S -0.52808 0.84891 2.83984 0.07312 -1.45159 117 3S 0.22925 -0.23732 -1.10788 -0.01168 0.62607 118 4PX -0.12729 0.05953 -0.01532 -0.09576 -0.12435 119 4PY 0.32869 0.16227 -0.63568 -0.20673 0.10199 120 4PZ -0.24101 -0.47176 -0.60844 0.08025 0.46656 121 7 H 1S 0.35007 -0.22546 0.92429 -0.05732 0.40719 122 2S -0.52808 0.84891 -2.83984 0.07312 -1.45159 123 3S 0.22925 -0.23732 1.10788 -0.01168 0.62607 124 4PX -0.12729 0.05953 0.01532 -0.09576 -0.12435 125 4PY 0.32869 0.16227 0.63568 -0.20673 0.10199 126 4PZ 0.24101 0.47176 -0.60844 -0.08025 -0.46656 127 8 H 1S -0.09534 0.53509 0.00000 -0.42799 -0.64899 128 2S 0.08138 -1.88743 0.00000 1.89699 1.61132 129 3S 0.40918 0.82285 0.00000 -0.84800 -0.50592 130 4PX 0.32809 -0.15089 0.00000 0.30185 0.41778 131 4PY -0.39398 -0.69347 0.00000 0.60208 0.19936 132 4PZ 0.00000 0.00000 0.39666 0.00000 0.00000 96 97 98 99 100 V V V V V Eigenvalues -- 2.78313 2.79563 3.07409 3.08875 3.24918 1 1 C 1S -0.04277 0.00000 0.00000 -0.05831 0.00000 2 2S -0.12977 0.00000 0.00000 -0.11982 0.00000 3 2PX -0.14945 0.00000 0.00000 0.62646 0.00000 4 2PY -0.12453 0.00000 0.00000 -0.15808 0.00000 5 2PZ 0.00000 -0.31515 -0.94217 0.00000 0.48105 6 3S 0.91137 0.00000 0.00000 0.63815 0.00000 7 3PX -0.37943 0.00000 0.00000 -1.47869 0.00000 8 3PY 0.56475 0.00000 0.00000 0.34526 0.00000 9 3PZ 0.00000 0.31968 1.74055 0.00000 -1.03081 10 4S 5.41789 0.00000 0.00000 0.05081 0.00000 11 4PX 0.35361 0.00000 0.00000 -0.04288 0.00000 12 4PY -0.68939 0.00000 0.00000 0.04086 0.00000 13 4PZ 0.00000 -0.39166 0.36611 0.00000 -0.55570 14 5S -2.23076 0.00000 0.00000 0.72007 0.00000 15 5PX -0.40692 0.00000 0.00000 0.33223 0.00000 16 5PY 0.10257 0.00000 0.00000 0.12813 0.00000 17 5PZ 0.00000 -0.10000 -0.05374 0.00000 0.10870 18 6D 0 -0.19815 0.00000 0.00000 0.17142 0.00000 19 6D+1 0.00000 0.07296 0.46563 0.00000 0.59793 20 6D-1 0.00000 -0.06357 -0.31963 0.00000 0.49917 21 6D+2 0.19822 0.00000 0.00000 -0.20751 0.00000 22 6D-2 -0.14450 0.00000 0.00000 0.14876 0.00000 23 7D 0 0.18080 0.00000 0.00000 -0.03358 0.00000 24 7D+1 0.00000 -0.64417 -0.22486 0.00000 -0.44771 25 7D-1 0.00000 0.20025 0.79749 0.00000 -0.88303 26 7D+2 -0.60869 0.00000 0.00000 -0.01116 0.00000 27 7D-2 -0.06962 0.00000 0.00000 0.04498 0.00000 28 2 C 1S 0.01677 0.00000 0.00000 -0.03253 0.00000 29 2S 0.01988 0.00000 0.00000 -0.06935 0.00000 30 2PX 0.27049 0.00000 0.00000 -0.66062 0.00000 31 2PY -0.13397 0.00000 0.00000 0.31723 0.00000 32 2PZ 0.00000 -1.21426 0.30856 0.00000 -0.02418 33 3S 0.15171 0.00000 0.00000 0.33843 0.00000 34 3PX -0.39625 0.00000 0.00000 1.29110 0.00000 35 3PY 0.66458 0.00000 0.00000 -0.63525 0.00000 36 3PZ 0.00000 1.74842 -0.36567 0.00000 0.04414 37 4S -3.88667 0.00000 0.00000 3.48583 0.00000 38 4PX 2.23668 0.00000 0.00000 -0.80208 0.00000 39 4PY 0.82382 0.00000 0.00000 -0.66017 0.00000 40 4PZ 0.00000 -0.46252 0.10080 0.00000 0.19760 41 5S 1.63733 0.00000 0.00000 -0.77463 0.00000 42 5PX -0.28524 0.00000 0.00000 0.14929 0.00000 43 5PY 0.22701 0.00000 0.00000 -0.55615 0.00000 44 5PZ 0.00000 0.19522 -0.07209 0.00000 0.00572 45 6D 0 -0.14736 0.00000 0.00000 0.36353 0.00000 46 6D+1 0.00000 -0.01215 -0.51570 0.00000 -0.54677 47 6D-1 0.00000 0.05795 -0.14610 0.00000 0.46133 48 6D+2 0.09189 0.00000 0.00000 -0.24177 0.00000 49 6D-2 -0.11083 0.00000 0.00000 0.15878 0.00000 50 7D 0 0.49972 0.00000 0.00000 -0.89427 0.00000 51 7D+1 0.00000 -0.15121 0.45324 0.00000 0.22204 52 7D-1 0.00000 -0.20385 -0.19597 0.00000 0.09270 53 7D+2 -0.08693 0.00000 0.00000 0.31948 0.00000 54 7D-2 -0.08543 0.00000 0.00000 -0.50032 0.00000 55 3 O 1S 0.01326 0.00000 0.00000 -0.00984 0.00000 56 2S 0.02955 0.00000 0.00000 -0.02202 0.00000 57 2PX 0.03105 0.00000 0.00000 0.00210 0.00000 58 2PY -0.00632 0.00000 0.00000 -0.04604 0.00000 59 2PZ 0.00000 -0.00482 -0.01550 0.00000 0.06826 60 3S -0.44054 0.00000 0.00000 0.34930 0.00000 61 3PX 0.03364 0.00000 0.00000 0.00861 0.00000 62 3PY 0.01521 0.00000 0.00000 -0.04671 0.00000 63 3PZ 0.00000 0.01825 0.00731 0.00000 -0.06476 64 4S 2.46198 0.00000 0.00000 -2.02283 0.00000 65 4PX -0.12181 0.00000 0.00000 -0.18508 0.00000 66 4PY 0.91003 0.00000 0.00000 -1.32048 0.00000 67 4PZ 0.00000 -0.43121 -0.12332 0.00000 0.13499 68 5S 0.81150 0.00000 0.00000 -0.42649 0.00000 69 5PX 0.01888 0.00000 0.00000 0.77425 0.00000 70 5PY -0.10575 0.00000 0.00000 -0.48130 0.00000 71 5PZ 0.00000 0.32760 0.09480 0.00000 -0.11814 72 6D 0 -0.00509 0.00000 0.00000 0.01201 0.00000 73 6D+1 0.00000 -0.00420 -0.01495 0.00000 0.00178 74 6D-1 0.00000 -0.00420 -0.00142 0.00000 0.00328 75 6D+2 0.00097 0.00000 0.00000 -0.00815 0.00000 76 6D-2 -0.00587 0.00000 0.00000 -0.00497 0.00000 77 7D 0 -0.25069 0.00000 0.00000 0.27530 0.00000 78 7D+1 0.00000 0.00153 -0.09881 0.00000 -0.02701 79 7D-1 0.00000 -0.32998 -0.05632 0.00000 0.19044 80 7D+2 -0.05190 0.00000 0.00000 0.20424 0.00000 81 7D-2 -0.24667 0.00000 0.00000 -0.21595 0.00000 82 4 O 1S 0.00225 0.00000 0.00000 -0.00603 0.00000 83 2S 0.00236 0.00000 0.00000 -0.01146 0.00000 84 2PX 0.03922 0.00000 0.00000 -0.02241 0.00000 85 2PY -0.01276 0.00000 0.00000 0.04357 0.00000 86 2PZ 0.00000 -0.01799 0.02197 0.00000 0.01330 87 3S 0.05936 0.00000 0.00000 0.10083 0.00000 88 3PX 0.02940 0.00000 0.00000 -0.02526 0.00000 89 3PY -0.01310 0.00000 0.00000 0.03250 0.00000 90 3PZ 0.00000 -0.01675 -0.00261 0.00000 -0.00370 91 4S -0.39873 0.00000 0.00000 -0.02376 0.00000 92 4PX 0.29680 0.00000 0.00000 0.13391 0.00000 93 4PY -0.21680 0.00000 0.00000 -0.04369 0.00000 94 4PZ 0.00000 0.13089 0.00540 0.00000 -0.00616 95 5S -0.47401 0.00000 0.00000 -1.08425 0.00000 96 5PX 0.11635 0.00000 0.00000 0.22807 0.00000 97 5PY -0.03532 0.00000 0.00000 -0.06621 0.00000 98 5PZ 0.00000 -0.19782 -0.05738 0.00000 -0.00018 99 6D 0 -0.00453 0.00000 0.00000 0.01381 0.00000 100 6D+1 0.00000 -0.00251 0.00184 0.00000 0.00090 101 6D-1 0.00000 0.00581 -0.00710 0.00000 -0.01044 102 6D+2 0.00208 0.00000 0.00000 0.00759 0.00000 103 6D-2 -0.00289 0.00000 0.00000 0.00427 0.00000 104 7D 0 0.09420 0.00000 0.00000 0.08293 0.00000 105 7D+1 0.00000 -0.01429 -0.01770 0.00000 -0.02181 106 7D-1 0.00000 0.06917 -0.02570 0.00000 -0.04600 107 7D+2 -0.11823 0.00000 0.00000 -0.01460 0.00000 108 7D-2 0.11052 0.00000 0.00000 -0.02541 0.00000 109 5 H 1S 0.40946 0.00000 0.00000 0.21409 0.00000 110 2S -0.44488 0.00000 0.00000 -1.32455 0.00000 111 3S -0.43796 0.00000 0.00000 0.71562 0.00000 112 4PX 0.03805 0.00000 0.00000 0.26178 0.00000 113 4PY -0.01226 0.00000 0.00000 0.47520 0.00000 114 4PZ 0.00000 -0.08033 0.02719 0.00000 -0.10891 115 6 H 1S 0.61553 -0.26400 -0.21397 0.08019 -0.05001 116 2S -2.44530 0.19964 -0.96339 -0.80653 1.13597 117 3S 0.57082 0.10164 0.18606 0.05335 -0.24997 118 4PX 0.02652 0.31255 -0.06180 -0.01971 0.18680 119 4PY 0.33356 -0.03256 0.21300 0.32740 -0.17559 120 4PZ 0.72143 -0.00666 0.13930 0.41916 -0.14975 121 7 H 1S 0.61553 0.26400 0.21397 0.08019 0.05001 122 2S -2.44530 -0.19964 0.96339 -0.80653 -1.13597 123 3S 0.57082 -0.10164 -0.18606 0.05335 0.24997 124 4PX 0.02652 -0.31255 0.06180 -0.01971 -0.18680 125 4PY 0.33356 0.03256 -0.21300 0.32740 0.17559 126 4PZ -0.72143 -0.00666 0.13930 -0.41916 -0.14975 127 8 H 1S 0.63814 0.00000 0.00000 0.21306 0.00000 128 2S -2.01958 0.00000 0.00000 -1.36269 0.00000 129 3S 0.16772 0.00000 0.00000 0.62066 0.00000 130 4PX -0.38082 0.00000 0.00000 -0.46741 0.00000 131 4PY -0.46019 0.00000 0.00000 -0.47639 0.00000 132 4PZ 0.00000 -0.16521 -0.12325 0.00000 -0.02624 101 102 103 104 105 V V V V V Eigenvalues -- 3.27573 3.29778 3.32666 3.37592 3.41195 1 1 C 1S 0.00716 0.00000 -0.00248 -0.00587 0.00243 2 2S 0.01156 0.00000 -0.01118 -0.01544 0.00372 3 2PX 0.34476 0.00000 0.68497 -0.32930 -0.19337 4 2PY 0.42129 0.00000 -0.26425 -0.59943 0.62966 5 2PZ 0.00000 -0.41385 0.00000 0.00000 0.00000 6 3S -0.03163 0.00000 0.48019 0.17862 -0.19034 7 3PX -0.60685 0.00000 -0.82437 0.76545 0.36402 8 3PY -0.97100 0.00000 0.24445 0.99612 -1.24638 9 3PZ 0.00000 0.78615 0.00000 0.00000 0.00000 10 4S -1.14135 0.00000 -3.23361 1.01635 2.79245 11 4PX -0.69113 0.00000 -1.48627 0.35206 0.74314 12 4PY -0.38435 0.00000 0.76335 -0.58697 -1.66514 13 4PZ 0.00000 -0.03874 0.00000 0.00000 0.00000 14 5S -0.32018 0.00000 1.16613 1.03754 -1.07604 15 5PX 0.10080 0.00000 0.36148 0.19545 -0.29945 16 5PY 0.21779 0.00000 -0.09185 -0.10592 0.11483 17 5PZ 0.00000 -0.03400 0.00000 0.00000 0.00000 18 6D 0 0.29638 0.00000 -0.22415 0.21534 0.59333 19 6D+1 0.00000 0.11867 0.00000 0.00000 0.00000 20 6D-1 0.00000 -0.18261 0.00000 0.00000 0.00000 21 6D+2 0.38231 0.00000 0.48904 0.66306 0.26239 22 6D-2 -0.35619 0.00000 -0.27007 0.58811 0.03675 23 7D 0 -0.67262 0.00000 0.51069 0.05807 -0.93318 24 7D+1 0.00000 -0.07409 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.66767 0.00000 0.00000 0.00000 26 7D+2 -0.47807 0.00000 -0.63314 -0.10746 -0.49355 27 7D-2 0.57965 0.00000 0.47053 -0.56248 -0.60209 28 2 C 1S 0.00479 0.00000 -0.03370 -0.00462 0.02385 29 2S 0.00150 0.00000 -0.07468 -0.00752 0.04943 30 2PX -0.44779 0.00000 -0.05146 -0.13491 0.11193 31 2PY -0.78079 0.00000 0.66722 -0.10415 0.60892 32 2PZ 0.00000 0.18408 0.00000 0.00000 0.00000 33 3S 0.09077 0.00000 0.60551 0.06131 -0.32089 34 3PX 0.75736 0.00000 -0.28101 0.48290 -0.17004 35 3PY 1.58520 0.00000 -1.35984 0.44422 -1.36350 36 3PZ 0.00000 -0.28450 0.00000 0.00000 0.00000 37 4S -0.09107 0.00000 6.11602 -1.11020 -2.36703 38 4PX -1.24873 0.00000 -1.26865 0.72786 1.84165 39 4PY 0.43043 0.00000 -0.99587 0.78273 -0.18389 40 4PZ 0.00000 0.35099 0.00000 0.00000 0.00000 41 5S 0.41480 0.00000 -0.76903 -1.26818 1.18715 42 5PX -0.32852 0.00000 0.15732 0.37223 -0.18412 43 5PY -0.22087 0.00000 -0.17281 -0.03600 0.20578 44 5PZ 0.00000 0.00943 0.00000 0.00000 0.00000 45 6D 0 -0.01870 0.00000 -0.48781 0.17608 0.27386 46 6D+1 0.00000 0.53466 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.92603 0.00000 0.00000 0.00000 48 6D+2 -0.01167 0.00000 0.29787 0.01126 0.48385 49 6D-2 -0.39685 0.00000 -0.14414 -0.20093 0.17299 50 7D 0 0.27130 0.00000 -0.18489 -0.22422 0.31987 51 7D+1 0.00000 -0.35138 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.67388 0.00000 0.00000 0.00000 53 7D+2 0.46318 0.00000 -1.02862 0.30018 -1.70235 54 7D-2 0.16775 0.00000 -0.13632 1.51463 -1.50747 55 3 O 1S -0.00866 0.00000 0.00575 -0.00584 0.00226 56 2S -0.01683 0.00000 0.00756 -0.01135 0.01427 57 2PX -0.05933 0.00000 -0.02031 -0.00016 -0.04962 58 2PY 0.03164 0.00000 -0.09561 0.03376 0.09775 59 2PZ 0.00000 0.08969 0.00000 0.00000 0.00000 60 3S 0.00353 0.00000 0.18470 0.09308 -0.28809 61 3PX 0.01442 0.00000 0.03842 -0.03820 0.06233 62 3PY 0.25694 0.00000 -0.15673 0.09197 -0.32739 63 3PZ 0.00000 -0.09282 0.00000 0.00000 0.00000 64 4S 1.98196 0.00000 -3.66834 0.67354 -0.93500 65 4PX 0.47606 0.00000 -0.32995 0.72109 -0.59932 66 4PY 0.20696 0.00000 -1.47361 0.42384 -0.50029 67 4PZ 0.00000 -0.24533 0.00000 0.00000 0.00000 68 5S -0.12243 0.00000 -2.43980 1.96859 1.16610 69 5PX 0.60325 0.00000 -0.24934 0.43405 0.52431 70 5PY -0.29483 0.00000 -0.46205 -0.14235 0.00279 71 5PZ 0.00000 -0.09838 0.00000 0.00000 0.00000 72 6D 0 0.00577 0.00000 -0.01244 0.01808 0.01152 73 6D+1 0.00000 -0.00989 0.00000 0.00000 0.00000 74 6D-1 0.00000 -0.00464 0.00000 0.00000 0.00000 75 6D+2 0.00782 0.00000 -0.01156 -0.00379 0.02575 76 6D-2 -0.00762 0.00000 -0.01130 0.04211 -0.00714 77 7D 0 -0.14613 0.00000 0.22231 0.06699 -0.19042 78 7D+1 0.00000 -0.06161 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.14869 0.00000 0.00000 0.00000 80 7D+2 0.05045 0.00000 0.13139 -0.19623 0.00418 81 7D-2 -0.43477 0.00000 0.15965 0.35350 -0.31794 82 4 O 1S 0.00363 0.00000 0.00779 -0.00369 0.00165 83 2S 0.00468 0.00000 0.01737 -0.00592 0.00174 84 2PX 0.07678 0.00000 -0.03894 -0.07002 0.03451 85 2PY -0.02325 0.00000 -0.00634 -0.00052 0.00560 86 2PZ 0.00000 0.00590 0.00000 0.00000 0.00000 87 3S 0.05857 0.00000 -0.25242 0.01215 0.02996 88 3PX 0.01762 0.00000 0.02637 0.00639 -0.02091 89 3PY -0.04186 0.00000 -0.03172 -0.00417 -0.00402 90 3PZ 0.00000 -0.01601 0.00000 0.00000 0.00000 91 4S -0.73602 0.00000 0.93235 -0.15003 0.03953 92 4PX 0.56850 0.00000 -0.59647 0.05116 0.13389 93 4PY -0.05406 0.00000 0.51295 -0.03362 0.01737 94 4PZ 0.00000 0.10268 0.00000 0.00000 0.00000 95 5S -0.41790 0.00000 0.90066 -1.26478 -1.12643 96 5PX 0.00999 0.00000 -0.14444 0.38426 0.28648 97 5PY 0.05779 0.00000 0.17186 -0.15343 -0.24465 98 5PZ 0.00000 0.00806 0.00000 0.00000 0.00000 99 6D 0 -0.00888 0.00000 -0.00394 -0.00042 0.00142 100 6D+1 0.00000 -0.01114 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00468 0.00000 0.00000 0.00000 102 6D+2 -0.01001 0.00000 -0.00798 -0.01284 0.00546 103 6D-2 -0.00818 0.00000 -0.02132 0.00341 -0.00698 104 7D 0 0.08480 0.00000 -0.12661 -0.08108 0.09424 105 7D+1 0.00000 -0.11071 0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.00490 0.00000 0.00000 0.00000 107 7D+2 -0.28892 0.00000 0.05951 0.05625 -0.11376 108 7D-2 0.07016 0.00000 -0.25048 -0.04164 -0.00474 109 5 H 1S -0.22043 0.00000 0.09747 -0.23134 0.52789 110 2S -0.18807 0.00000 0.10241 -1.35061 1.31015 111 3S 0.62544 0.00000 0.05967 -0.06663 -0.70766 112 4PX 0.16745 0.00000 0.16714 0.29952 -0.38190 113 4PY 0.06563 0.00000 -0.13947 0.05878 -0.37499 114 4PZ 0.00000 0.09885 0.00000 0.00000 0.00000 115 6 H 1S -0.04942 -0.17494 -0.20428 -0.16040 0.17222 116 2S 0.76805 -0.47205 0.30573 -0.05973 0.17154 117 3S -0.16860 0.14743 -0.23215 0.03798 0.18750 118 4PX 0.13482 -0.04235 0.11420 0.00021 0.04689 119 4PY -0.18035 0.06305 -0.04767 0.01421 -0.04016 120 4PZ -0.13504 0.10426 -0.06570 0.02360 0.01181 121 7 H 1S -0.04942 0.17494 -0.20428 -0.16040 0.17222 122 2S 0.76805 0.47205 0.30573 -0.05973 0.17154 123 3S -0.16860 -0.14743 -0.23215 0.03798 0.18750 124 4PX 0.13482 0.04235 0.11420 0.00021 0.04689 125 4PY -0.18035 -0.06305 -0.04767 0.01421 -0.04016 126 4PZ 0.13504 0.10426 0.06570 -0.02360 -0.01181 127 8 H 1S 0.02487 0.00000 -0.21490 0.41495 -0.02574 128 2S -1.37193 0.00000 0.36360 -0.02453 -0.67922 129 3S 0.48078 0.00000 -0.06521 -0.02544 -0.10860 130 4PX -0.29418 0.00000 0.14819 -0.01353 -0.16925 131 4PY -0.02238 0.00000 -0.00410 0.01097 0.19459 132 4PZ 0.00000 0.06359 0.00000 0.00000 0.00000 106 107 108 109 110 V V V V V Eigenvalues -- 3.42414 3.58766 3.60320 3.94211 4.15117 1 1 C 1S 0.00000 0.01009 -0.02012 -0.00933 0.00000 2 2S 0.00000 0.02758 -0.04943 -0.02108 0.00000 3 2PX 0.00000 0.27244 -0.44577 0.09608 0.00000 4 2PY 0.00000 0.10771 0.24546 -0.04608 0.00000 5 2PZ -0.06714 0.00000 0.00000 0.00000 -0.71917 6 3S 0.00000 -0.41330 0.15048 0.15095 0.00000 7 3PX 0.00000 -1.12874 1.19517 -0.21426 0.00000 8 3PY 0.00000 0.03525 -0.59705 0.08292 0.00000 9 3PZ 0.24031 0.00000 0.00000 0.00000 2.56772 10 4S 0.00000 -2.12400 5.82297 0.84048 0.00000 11 4PX 0.00000 -1.30209 2.55506 0.15219 0.00000 12 4PY 0.00000 -0.65076 -1.08130 -0.29186 0.00000 13 4PZ 1.05948 0.00000 0.00000 0.00000 0.44521 14 5S 0.00000 1.84203 -2.35308 -0.32390 0.00000 15 5PX 0.00000 0.53151 -0.75325 -0.06325 0.00000 16 5PY 0.00000 -0.14333 0.33178 -0.03558 0.00000 17 5PZ -0.13439 0.00000 0.00000 0.00000 -0.19087 18 6D 0 0.00000 0.44624 0.27580 -0.00883 0.00000 19 6D+1 -0.81341 0.00000 0.00000 0.00000 -0.33353 20 6D-1 -0.19523 0.00000 0.00000 0.00000 1.10738 21 6D+2 0.00000 0.30928 -0.24851 -0.04585 0.00000 22 6D-2 0.00000 0.05108 0.29554 0.11541 0.00000 23 7D 0 0.00000 -0.71259 -0.77692 0.15954 0.00000 24 7D+1 0.84317 0.00000 0.00000 0.00000 0.09669 25 7D-1 0.31175 0.00000 0.00000 0.00000 0.53531 26 7D+2 0.00000 -0.75782 0.73403 -0.15853 0.00000 27 7D-2 0.00000 0.42871 -0.59183 -0.24556 0.00000 28 2 C 1S 0.00000 -0.00929 -0.01288 -0.02109 0.00000 29 2S 0.00000 -0.02247 -0.02217 -0.03090 0.00000 30 2PX 0.00000 0.48661 -0.59784 -0.29400 0.00000 31 2PY 0.00000 -0.16171 0.27177 -0.54396 0.00000 32 2PZ 0.00731 0.00000 0.00000 0.00000 0.09024 33 3S 0.00000 0.24409 0.58021 0.01809 0.00000 34 3PX 0.00000 -1.06139 1.69308 1.12663 0.00000 35 3PY 0.00000 0.09628 -0.98864 2.10282 0.00000 36 3PZ -0.07548 0.00000 0.00000 0.00000 -0.20012 37 4S 0.00000 0.52100 -5.80113 -0.91310 0.00000 38 4PX 0.00000 -1.18935 2.25356 0.49158 0.00000 39 4PY 0.00000 2.19418 -0.58628 0.47086 0.00000 40 4PZ -0.61845 0.00000 0.00000 0.00000 -0.10770 41 5S 0.00000 -1.95627 2.40670 0.17522 0.00000 42 5PX 0.00000 0.54737 -0.46831 -0.17937 0.00000 43 5PY 0.00000 -0.25306 0.21880 0.08883 0.00000 44 5PZ 0.12467 0.00000 0.00000 0.00000 0.05785 45 6D 0 0.00000 -0.37745 -0.79469 -0.32403 0.00000 46 6D+1 -0.69475 0.00000 0.00000 0.00000 0.07902 47 6D-1 0.45937 0.00000 0.00000 0.00000 -0.05605 48 6D+2 0.00000 -0.67653 -0.13729 0.72223 0.00000 49 6D-2 0.00000 0.60082 -0.22140 0.80375 0.00000 50 7D 0 0.00000 0.32801 0.99994 0.01969 0.00000 51 7D+1 0.72311 0.00000 0.00000 0.00000 0.13652 52 7D-1 -0.51783 0.00000 0.00000 0.00000 -0.14345 53 7D+2 0.00000 1.15040 -0.36776 0.04820 0.00000 54 7D-2 0.00000 -1.47363 0.76271 -0.06893 0.00000 55 3 O 1S 0.00000 0.00322 0.01442 -0.01473 0.00000 56 2S 0.00000 -0.00117 0.02148 -0.02144 0.00000 57 2PX 0.00000 0.00838 -0.03202 0.02909 0.00000 58 2PY 0.00000 -0.18650 -0.19372 0.32680 0.00000 59 2PZ 0.02923 0.00000 0.00000 0.00000 -0.01631 60 3S 0.00000 0.14092 -0.00327 -0.03184 0.00000 61 3PX 0.00000 -0.11374 0.05498 -0.04052 0.00000 62 3PY 0.00000 0.18537 0.05977 -0.11572 0.00000 63 3PZ -0.06626 0.00000 0.00000 0.00000 0.01440 64 4S 0.00000 1.21670 -0.00668 1.22483 0.00000 65 4PX 0.00000 -0.33918 -0.18739 -0.71777 0.00000 66 4PY 0.00000 0.23722 -0.37177 1.55582 0.00000 67 4PZ -0.07349 0.00000 0.00000 0.00000 -0.06046 68 5S 0.00000 0.68686 0.96417 1.05651 0.00000 69 5PX 0.00000 0.06847 0.37822 0.60515 0.00000 70 5PY 0.00000 0.31054 0.01125 -0.59306 0.00000 71 5PZ 0.05088 0.00000 0.00000 0.00000 0.02661 72 6D 0 0.00000 0.00070 -0.02566 0.04654 0.00000 73 6D+1 -0.00962 0.00000 0.00000 0.00000 -0.01063 74 6D-1 -0.00401 0.00000 0.00000 0.00000 -0.00423 75 6D+2 0.00000 -0.03493 -0.04383 0.03173 0.00000 76 6D-2 0.00000 0.00877 -0.02141 0.01852 0.00000 77 7D 0 0.00000 0.22837 0.17996 -0.20080 0.00000 78 7D+1 -0.08850 0.00000 0.00000 0.00000 -0.03116 79 7D-1 0.03480 0.00000 0.00000 0.00000 -0.02658 80 7D+2 0.00000 0.30290 0.33015 -0.55239 0.00000 81 7D-2 0.00000 0.14877 -0.04271 -0.10526 0.00000 82 4 O 1S 0.00000 -0.00532 0.00985 -0.00241 0.00000 83 2S 0.00000 -0.00967 0.02014 -0.00431 0.00000 84 2PX 0.00000 -0.04717 -0.01201 -0.02767 0.00000 85 2PY 0.00000 -0.02334 -0.00386 0.05863 0.00000 86 2PZ 0.02835 0.00000 0.00000 0.00000 0.01257 87 3S 0.00000 0.08419 -0.21496 0.01291 0.00000 88 3PX 0.00000 0.01905 0.05956 -0.02034 0.00000 89 3PY 0.00000 0.06594 -0.06162 -0.01791 0.00000 90 3PZ -0.01002 0.00000 0.00000 0.00000 -0.01138 91 4S 0.00000 -0.01503 0.38962 0.41792 0.00000 92 4PX 0.00000 -0.06460 -0.16022 -0.29242 0.00000 93 4PY 0.00000 -0.16611 0.29278 -0.01934 0.00000 94 4PZ 0.01301 0.00000 0.00000 0.00000 0.01601 95 5S 0.00000 0.16841 -1.00794 -1.07734 0.00000 96 5PX 0.00000 -0.10082 0.31802 0.39740 0.00000 97 5PY 0.00000 0.13448 -0.26279 -0.01229 0.00000 98 5PZ -0.03347 0.00000 0.00000 0.00000 -0.01299 99 6D 0 0.00000 0.00584 -0.01637 0.00179 0.00000 100 6D+1 0.00061 0.00000 0.00000 0.00000 -0.00174 101 6D-1 -0.01270 0.00000 0.00000 0.00000 -0.00148 102 6D+2 0.00000 0.01314 -0.01300 0.00947 0.00000 103 6D-2 0.00000 0.02263 -0.02243 0.01453 0.00000 104 7D 0 0.00000 0.00442 -0.09422 -0.01504 0.00000 105 7D+1 -0.03320 0.00000 0.00000 0.00000 -0.01013 106 7D-1 -0.03514 0.00000 0.00000 0.00000 0.00076 107 7D+2 0.00000 0.15811 -0.07631 0.05078 0.00000 108 7D-2 0.00000 0.15203 -0.10762 -0.04453 0.00000 109 5 H 1S 0.00000 0.18840 -0.27563 -0.20723 0.00000 110 2S 0.00000 0.59808 0.32069 -1.48225 0.00000 111 3S 0.00000 -0.36223 -0.32092 0.24509 0.00000 112 4PX 0.00000 -0.18305 0.12387 1.01576 0.00000 113 4PY 0.00000 0.11510 0.10939 0.63447 0.00000 114 4PZ 0.03002 0.00000 0.00000 0.00000 0.01689 115 6 H 1S -0.01089 0.04344 0.20628 0.03265 -0.25178 116 2S -0.44873 0.25368 -0.38024 -0.35262 -1.69697 117 3S -0.10536 0.07311 0.05487 0.12306 0.38455 118 4PX -0.10398 -0.00979 -0.10568 0.02121 -0.21511 119 4PY 0.02868 -0.10424 0.06150 0.09265 0.74167 120 4PZ 0.00480 0.14862 0.09092 0.08629 0.83798 121 7 H 1S 0.01089 0.04344 0.20628 0.03265 0.25178 122 2S 0.44873 0.25368 -0.38024 -0.35262 1.69697 123 3S 0.10536 0.07311 0.05487 0.12306 -0.38455 124 4PX 0.10398 -0.00979 -0.10568 0.02121 0.21511 125 4PY -0.02868 -0.10424 0.06150 0.09265 -0.74167 126 4PZ 0.00480 -0.14862 -0.09092 -0.08629 0.83798 127 8 H 1S 0.00000 -0.12631 0.12899 0.03085 0.00000 128 2S 0.00000 -0.90813 -0.58647 -0.07385 0.00000 129 3S 0.00000 -0.07490 0.21923 -0.03788 0.00000 130 4PX 0.00000 -0.17236 -0.14063 -0.08910 0.00000 131 4PY 0.00000 -0.03126 -0.10055 -0.04659 0.00000 132 4PZ 0.04331 0.00000 0.00000 0.00000 -0.12945 111 112 113 114 115 V V V V V Eigenvalues -- 4.21166 4.43650 4.85890 4.88105 5.02563 1 1 C 1S -0.00067 -0.00896 -0.00351 0.00000 0.00000 2 2S -0.00531 0.00723 -0.00392 0.00000 0.00000 3 2PX -0.19401 -0.74157 -0.10618 0.00000 0.00000 4 2PY -0.81557 0.10967 -0.15565 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 0.00778 -0.02477 6 3S 0.11769 -0.11252 0.02943 0.00000 0.00000 7 3PX 0.86132 2.32983 0.40395 0.00000 0.00000 8 3PY 2.75216 -0.27333 0.46680 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 -0.05756 0.08812 10 4S -0.22028 0.59301 0.88658 0.00000 0.00000 11 4PX 0.19362 0.49991 0.54160 0.00000 0.00000 12 4PY 0.74163 0.40024 0.26748 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 -0.27587 0.19952 14 5S -0.24930 0.03612 2.28908 0.00000 0.00000 15 5PX -0.15059 -0.06705 0.55499 0.00000 0.00000 16 5PY -0.16621 0.00902 -0.29994 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 0.09568 0.05578 18 6D 0 0.75394 -0.33579 -0.01579 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.01994 -0.02198 20 6D-1 0.00000 0.00000 0.00000 0.00808 0.00483 21 6D+2 -0.33832 0.41873 -0.00284 0.00000 0.00000 22 6D-2 -0.71158 -0.62389 -0.10404 0.00000 0.00000 23 7D 0 0.59285 0.17401 0.36794 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 -0.02674 0.08685 25 7D-1 0.00000 0.00000 0.00000 -0.12487 0.04029 26 7D+2 0.23523 0.47616 0.24794 0.00000 0.00000 27 7D-2 -0.14953 -0.40486 -0.14158 0.00000 0.00000 28 2 C 1S -0.00960 0.01751 -0.00552 0.00000 0.00000 29 2S -0.01078 0.00276 -0.00727 0.00000 0.00000 30 2PX 0.11068 -0.72087 -0.05807 0.00000 0.00000 31 2PY 0.00818 0.28287 0.06430 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.03242 0.01366 33 3S 0.01260 0.18453 -0.01669 0.00000 0.00000 34 3PX -0.26364 2.20054 0.20980 0.00000 0.00000 35 3PY 0.05280 -0.73765 -0.09284 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 -0.04674 -0.05638 37 4S 0.75749 -0.00531 -0.01897 0.00000 0.00000 38 4PX -0.06366 0.19141 0.82473 0.00000 0.00000 39 4PY -0.39532 -0.86566 -0.35557 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.22038 -0.11188 41 5S 0.15792 0.08261 -1.99427 0.00000 0.00000 42 5PX -0.00973 -0.15756 0.64171 0.00000 0.00000 43 5PY 0.11882 -0.02750 -0.32870 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 -0.30789 -0.02310 45 6D 0 -0.04801 0.19260 -0.00097 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.01372 -0.03103 47 6D-1 0.00000 0.00000 0.00000 0.12961 -0.04664 48 6D+2 0.11326 -0.26926 -0.04988 0.00000 0.00000 49 6D-2 -0.09781 0.48897 0.13490 0.00000 0.00000 50 7D 0 -0.20333 -0.15418 -0.19139 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.01282 0.11512 52 7D-1 0.00000 0.00000 0.00000 -0.04399 0.02660 53 7D+2 0.32508 -0.42794 0.01018 0.00000 0.00000 54 7D-2 0.75761 0.88621 0.40744 0.00000 0.00000 55 3 O 1S -0.00145 0.00427 0.00145 0.00000 0.00000 56 2S -0.00308 0.00719 -0.00424 0.00000 0.00000 57 2PX 0.09810 0.08952 -0.94264 0.00000 0.00000 58 2PY 0.02436 -0.18805 0.01379 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 -1.13788 0.57028 60 3S 0.05510 0.03003 0.13899 0.00000 0.00000 61 3PX -0.09927 -0.09900 1.27063 0.00000 0.00000 62 3PY 0.02067 0.10532 -0.09020 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 1.41263 -0.71336 64 4S -0.08259 -1.29528 -0.42223 0.00000 0.00000 65 4PX 0.42916 0.27250 -1.01936 0.00000 0.00000 66 4PY 0.04749 -0.75348 0.13300 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 -0.92428 0.58223 68 5S -0.59510 -0.52501 1.33751 0.00000 0.00000 69 5PX -0.37784 -0.23944 1.12705 0.00000 0.00000 70 5PY -0.03097 0.19678 -0.42313 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.47513 -0.32164 72 6D 0 0.00176 -0.01355 -0.00003 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.01877 -0.01967 74 6D-1 0.00000 0.00000 0.00000 -0.00576 0.02040 75 6D+2 0.00159 -0.01706 -0.02104 0.00000 0.00000 76 6D-2 0.02010 0.00118 -0.00283 0.00000 0.00000 77 7D 0 0.01467 0.08297 0.13376 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.02046 -0.01876 79 7D-1 0.00000 0.00000 0.00000 0.01141 0.01484 80 7D+2 -0.07310 0.11913 -0.14418 0.00000 0.00000 81 7D-2 0.17129 0.09259 0.20163 0.00000 0.00000 82 4 O 1S -0.00189 0.00111 0.00162 0.00000 0.00000 83 2S -0.00256 0.00398 -0.00308 0.00000 0.00000 84 2PX -0.06702 -0.13363 0.77746 0.00000 0.00000 85 2PY 0.00864 0.00767 -0.26885 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 -0.56283 -1.14220 87 3S 0.00181 -0.08035 0.05272 0.00000 0.00000 88 3PX 0.06018 0.15502 -1.01011 0.00000 0.00000 89 3PY -0.00991 -0.02658 0.37093 0.00000 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.67958 1.38564 91 4S -0.08827 0.11641 0.46746 0.00000 0.00000 92 4PX -0.04912 -0.19179 0.48592 0.00000 0.00000 93 4PY -0.01890 0.16674 -0.21860 0.00000 0.00000 94 4PZ 0.00000 0.00000 0.00000 -0.31232 -0.88031 95 5S 0.52759 0.38682 -2.09013 0.00000 0.00000 96 5PX -0.09966 -0.03522 0.30740 0.00000 0.00000 97 5PY 0.07185 -0.05707 -0.22748 0.00000 0.00000 98 5PZ 0.00000 0.00000 0.00000 0.07379 0.43842 99 6D 0 0.00245 -0.00290 0.00177 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.01057 0.00583 101 6D-1 0.00000 0.00000 0.00000 -0.00905 -0.00383 102 6D+2 -0.00493 -0.00959 0.02982 0.00000 0.00000 103 6D-2 0.00259 -0.00910 0.00206 0.00000 0.00000 104 7D 0 -0.03310 -0.05992 0.07343 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00573 0.00605 106 7D-1 0.00000 0.00000 0.00000 -0.00743 -0.00359 107 7D+2 0.04964 0.02349 -0.04858 0.00000 0.00000 108 7D-2 -0.02642 -0.08206 0.09654 0.00000 0.00000 109 5 H 1S -0.09466 -0.25856 -0.07572 0.00000 0.00000 110 2S -0.50108 -0.97507 -0.54150 0.00000 0.00000 111 3S 0.11519 0.46794 -0.11974 0.00000 0.00000 112 4PX 0.05930 0.51433 0.12872 0.00000 0.00000 113 4PY 0.08593 0.23389 0.05084 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 -0.02751 -0.02253 115 6 H 1S -0.19990 0.03755 -0.02817 -0.00133 -0.00078 116 2S -1.06396 0.23799 -0.30611 0.17791 -0.10522 117 3S 0.21691 -0.21544 -0.06648 0.07480 -0.05115 118 4PX -0.17602 -0.10108 -0.04564 0.01780 -0.02589 119 4PY 0.33868 -0.06738 0.10955 -0.02297 0.02069 120 4PZ 0.60303 -0.26028 0.03645 -0.03085 0.01921 121 7 H 1S -0.19990 0.03755 -0.02817 0.00133 0.00078 122 2S -1.06396 0.23799 -0.30611 -0.17791 0.10522 123 3S 0.21691 -0.21544 -0.06648 -0.07480 0.05115 124 4PX -0.17602 -0.10108 -0.04564 -0.01780 0.02589 125 4PY 0.33868 -0.06738 0.10955 0.02297 -0.02069 126 4PZ -0.60303 0.26028 -0.03645 -0.03085 0.01921 127 8 H 1S 0.33096 0.17910 0.10219 0.00000 0.00000 128 2S 2.00449 1.24707 0.60923 0.00000 0.00000 129 3S -0.38702 -0.26919 0.06912 0.00000 0.00000 130 4PX 1.00832 0.41037 0.23741 0.00000 0.00000 131 4PY 0.77995 0.51133 0.09291 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 -0.00993 0.00543 116 117 118 119 120 V V V V V Eigenvalues -- 5.05351 5.50918 6.12446 6.72548 6.78065 1 1 C 1S -0.00177 0.00121 0.00715 0.00000 0.00000 2 2S -0.00141 -0.00163 0.00467 0.00000 0.00000 3 2PX -0.04356 0.07541 0.07989 0.00000 0.00000 4 2PY -0.01005 -0.04198 -0.00682 0.00000 0.00000 5 2PZ 0.00000 0.00000 0.00000 -0.03588 -0.03053 6 3S 0.06945 0.05551 -0.06475 0.00000 0.00000 7 3PX 0.21466 -0.27051 -0.37428 0.00000 0.00000 8 3PY 0.00823 0.13283 0.05660 0.00000 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.12163 0.09834 10 4S -0.20394 0.26789 -0.50003 0.00000 0.00000 11 4PX -0.07123 -0.04821 -0.25520 0.00000 0.00000 12 4PY 0.01051 0.17171 -0.01096 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.11807 0.09713 14 5S 2.35287 -1.79133 1.52747 0.00000 0.00000 15 5PX 0.47149 -0.38521 0.41019 0.00000 0.00000 16 5PY -0.29205 0.20500 -0.06740 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00000 -0.01759 -0.03610 18 6D 0 0.00010 0.02141 0.04157 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 -0.01002 -0.00862 20 6D-1 0.00000 0.00000 0.00000 -0.00007 0.00273 21 6D+2 0.04710 -0.09025 -0.03519 0.00000 0.00000 22 6D-2 -0.03018 0.04878 0.07516 0.00000 0.00000 23 7D 0 -0.04861 0.11647 -0.07473 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.10879 0.09274 25 7D-1 0.00000 0.00000 0.00000 0.06551 -0.00116 26 7D+2 0.03063 0.00608 -0.09944 0.00000 0.00000 27 7D-2 0.00285 0.18469 0.15547 0.00000 0.00000 28 2 C 1S -0.00590 0.03827 0.03853 0.00000 0.00000 29 2S -0.01067 0.04805 0.04223 0.00000 0.00000 30 2PX 0.00952 0.10296 0.00974 0.00000 0.00000 31 2PY 0.03944 -0.26614 -0.18937 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00594 -0.00431 33 3S 0.22006 -0.37493 -0.43988 0.00000 0.00000 34 3PX 0.01589 -0.32072 -0.06397 0.00000 0.00000 35 3PY -0.28127 1.52077 1.33150 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.03374 0.01171 37 4S -0.15428 -1.12901 -0.23963 0.00000 0.00000 38 4PX -0.25363 0.19019 -0.39468 0.00000 0.00000 39 4PY 0.08749 0.33766 0.48389 0.00000 0.00000 40 4PZ 0.00000 0.00000 0.00000 0.05467 -0.09486 41 5S -2.34627 1.93620 -1.48833 0.00000 0.00000 42 5PX 0.90057 -0.65783 0.48822 0.00000 0.00000 43 5PY -0.17212 0.06471 -0.37477 0.00000 0.00000 44 5PZ 0.00000 0.00000 0.00000 0.00920 0.02673 45 6D 0 -0.03674 0.16589 0.17042 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.03085 -0.01992 47 6D-1 0.00000 0.00000 0.00000 0.01848 -0.00238 48 6D+2 -0.08040 0.42850 0.41870 0.00000 0.00000 49 6D-2 -0.02700 0.07523 0.10897 0.00000 0.00000 50 7D 0 0.08819 0.17245 0.00553 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.16713 0.17701 52 7D-1 0.00000 0.00000 0.00000 -0.19176 -0.00988 53 7D+2 -0.11328 0.46080 0.52134 0.00000 0.00000 54 7D-2 0.26769 0.26531 0.07043 0.00000 0.00000 55 3 O 1S 0.00279 -0.01028 -0.00791 0.00000 0.00000 56 2S 0.00395 -0.00825 -0.01393 0.00000 0.00000 57 2PX 0.06849 -0.59721 0.62757 0.00000 0.00000 58 2PY 0.02189 -0.89130 -0.85524 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 -0.01990 -0.01591 60 3S 0.00083 -0.31387 0.11448 0.00000 0.00000 61 3PX -0.12220 0.79751 -0.97455 0.00000 0.00000 62 3PY -0.04967 1.41863 1.44677 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.03375 0.02936 64 4S -0.11896 2.84626 0.79334 0.00000 0.00000 65 4PX 0.44367 -0.07499 -0.08142 0.00000 0.00000 66 4PY -0.31823 0.27133 0.44155 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 -0.17684 -0.03167 68 5S 0.18551 -1.91433 0.71288 0.00000 0.00000 69 5PX -0.24057 -0.56187 0.24429 0.00000 0.00000 70 5PY 0.37319 0.43417 0.07729 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 -0.02194 0.02566 72 6D 0 -0.01995 0.00743 0.15187 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.45265 0.87108 74 6D-1 0.00000 0.00000 0.00000 0.50680 0.06155 75 6D+2 0.03775 0.02065 -0.14261 0.00000 0.00000 76 6D-2 0.05780 -0.01535 0.07127 0.00000 0.00000 77 7D 0 0.03190 -0.43389 -0.07823 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.22745 -0.47762 79 7D-1 0.00000 0.00000 0.00000 -0.30777 -0.05319 80 7D+2 0.11562 -0.28971 -0.62998 0.00000 0.00000 81 7D-2 0.10415 -0.28401 0.10284 0.00000 0.00000 82 4 O 1S 0.00225 -0.00067 -0.00595 0.00000 0.00000 83 2S 0.00439 -0.00294 -0.00354 0.00000 0.00000 84 2PX 0.47874 -0.57383 0.66919 0.00000 0.00000 85 2PY 1.17132 0.31815 -0.25736 0.00000 0.00000 86 2PZ 0.00000 0.00000 0.00000 -0.01122 -0.03427 87 3S -0.04471 0.15058 -0.15839 0.00000 0.00000 88 3PX -0.57481 0.79246 -0.96109 0.00000 0.00000 89 3PY -1.45886 -0.42068 0.37667 0.00000 0.00000 90 3PZ 0.00000 0.00000 0.00000 0.01505 0.05277 91 4S -0.11330 -0.80208 0.75375 0.00000 0.00000 92 4PX 0.46285 0.04812 0.03134 0.00000 0.00000 93 4PY 0.90446 0.06418 0.02329 0.00000 0.00000 94 4PZ 0.00000 0.00000 0.00000 0.04356 0.07147 95 5S 0.21828 1.71374 -0.81810 0.00000 0.00000 96 5PX -0.33513 -0.44250 0.07392 0.00000 0.00000 97 5PY -0.42908 0.12747 -0.11802 0.00000 0.00000 98 5PZ 0.00000 0.00000 0.00000 -0.01152 -0.04147 99 6D 0 -0.01594 0.03113 0.00104 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.13749 -0.62239 101 6D-1 0.00000 0.00000 0.00000 0.88934 -0.37294 102 6D+2 -0.03067 -0.01077 0.08555 0.00000 0.00000 103 6D-2 -0.01463 0.04859 -0.02394 0.00000 0.00000 104 7D 0 -0.01958 0.12736 -0.20877 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 -0.08335 0.21858 106 7D-1 0.00000 0.00000 0.00000 -0.38449 0.21844 107 7D+2 -0.01320 -0.15389 0.23911 0.00000 0.00000 108 7D-2 -0.00483 0.12806 -0.28008 0.00000 0.00000 109 5 H 1S -0.00596 -0.08663 -0.06822 0.00000 0.00000 110 2S 0.07610 -0.28191 -0.41027 0.00000 0.00000 111 3S 0.00513 0.07767 0.22876 0.00000 0.00000 112 4PX 0.02644 0.12410 0.15763 0.00000 0.00000 113 4PY -0.06998 0.05019 0.14220 0.00000 0.00000 114 4PZ 0.00000 0.00000 0.00000 -0.03275 -0.05399 115 6 H 1S -0.01182 -0.00253 -0.00466 -0.01701 -0.00245 116 2S 0.09805 -0.16604 0.04419 -0.08204 -0.05216 117 3S -0.05241 -0.01147 -0.02560 -0.01241 0.01572 118 4PX -0.00402 0.00205 0.01101 -0.03150 -0.02429 119 4PY -0.02291 0.03806 -0.01929 0.01416 0.01324 120 4PZ -0.01644 0.03988 0.02737 0.01769 0.00875 121 7 H 1S -0.01182 -0.00253 -0.00466 0.01701 0.00245 122 2S 0.09805 -0.16604 0.04419 0.08204 0.05216 123 3S -0.05241 -0.01147 -0.02560 0.01241 -0.01572 124 4PX -0.00402 0.00205 0.01101 0.03150 0.02429 125 4PY -0.02291 0.03806 -0.01929 -0.01416 -0.01324 126 4PZ 0.01644 -0.03988 -0.02737 0.01769 0.00875 127 8 H 1S -0.00714 -0.00892 -0.01755 0.00000 0.00000 128 2S 0.09991 -0.13139 -0.28924 0.00000 0.00000 129 3S -0.15287 -0.00941 0.08016 0.00000 0.00000 130 4PX 0.03578 -0.00777 -0.09014 0.00000 0.00000 131 4PY 0.04233 -0.09405 -0.06590 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.02259 0.00434 121 122 123 124 125 V V V V V Eigenvalues -- 6.79678 6.91707 6.92290 6.93010 6.97404 1 1 C 1S 0.00160 0.00000 0.00000 0.00842 0.00308 2 2S 0.00095 0.00000 0.00000 0.00560 0.00268 3 2PX 0.02166 0.00000 0.00000 0.06735 0.02193 4 2PY -0.00755 0.00000 0.00000 -0.01380 0.00937 5 2PZ 0.00000 -0.02041 -0.02027 0.00000 0.00000 6 3S -0.01515 0.00000 0.00000 -0.15068 -0.07976 7 3PX -0.09181 0.00000 0.00000 -0.39166 -0.12869 8 3PY 0.02827 0.00000 0.00000 0.11015 0.00732 9 3PZ 0.00000 0.08934 0.06571 0.00000 0.00000 10 4S -0.20310 0.00000 0.00000 -0.83541 0.40173 11 4PX -0.03414 0.00000 0.00000 -0.37867 0.10669 12 4PY 0.11654 0.00000 0.00000 0.04503 -0.07411 13 4PZ 0.00000 0.10552 0.04861 0.00000 0.00000 14 5S -0.47640 0.00000 0.00000 -0.39367 0.66491 15 5PX -0.05744 0.00000 0.00000 -0.01188 0.11682 16 5PY 0.06742 0.00000 0.00000 0.08495 -0.09460 17 5PZ 0.00000 0.01229 -0.00645 0.00000 0.00000 18 6D 0 -0.00076 0.00000 0.00000 0.02606 0.00446 19 6D+1 0.00000 -0.00919 -0.00118 0.00000 0.00000 20 6D-1 0.00000 -0.01017 0.00442 0.00000 0.00000 21 6D+2 -0.00756 0.00000 0.00000 -0.01127 -0.03005 22 6D-2 -0.00218 0.00000 0.00000 0.04296 0.01019 23 7D 0 0.03687 0.00000 0.00000 0.02215 0.03739 24 7D+1 0.00000 0.03551 0.04926 0.00000 0.00000 25 7D-1 0.00000 0.17293 -0.02682 0.00000 0.00000 26 7D+2 -0.01079 0.00000 0.00000 -0.15005 -0.04802 27 7D-2 0.01845 0.00000 0.00000 0.05339 -0.02367 28 2 C 1S 0.00188 0.00000 0.00000 -0.00207 0.00841 29 2S -0.00091 0.00000 0.00000 -0.01419 0.00355 30 2PX 0.00567 0.00000 0.00000 0.00394 0.07397 31 2PY 0.02129 0.00000 0.00000 -0.07323 -0.04491 32 2PZ 0.00000 -0.03358 0.00344 0.00000 0.00000 33 3S -0.06249 0.00000 0.00000 0.09194 -0.06970 34 3PX -0.01926 0.00000 0.00000 0.08947 -0.25984 35 3PY -0.11210 0.00000 0.00000 -0.00268 0.13790 36 3PZ 0.00000 0.20423 -0.06938 0.00000 0.00000 37 4S 1.47420 0.00000 0.00000 2.29631 -0.68910 38 4PX 0.03549 0.00000 0.00000 -0.06791 0.38980 39 4PY -0.66322 0.00000 0.00000 -0.06909 0.15810 40 4PZ 0.00000 0.12901 -0.05558 0.00000 0.00000 41 5S 0.61837 0.00000 0.00000 0.62650 -0.77612 42 5PX -0.20704 0.00000 0.00000 -0.13774 0.28722 43 5PY -0.03713 0.00000 0.00000 -0.12891 -0.02369 44 5PZ 0.00000 -0.05359 0.00468 0.00000 0.00000 45 6D 0 0.02874 0.00000 0.00000 0.03233 0.03101 46 6D+1 0.00000 0.02224 -0.00430 0.00000 0.00000 47 6D-1 0.00000 -0.03334 0.04183 0.00000 0.00000 48 6D+2 0.01987 0.00000 0.00000 0.05159 -0.02268 49 6D-2 0.01773 0.00000 0.00000 0.07799 0.04667 50 7D 0 -0.15689 0.00000 0.00000 -0.33478 -0.00421 51 7D+1 0.00000 0.00140 0.11626 0.00000 0.00000 52 7D-1 0.00000 -0.31708 0.06326 0.00000 0.00000 53 7D+2 -0.08404 0.00000 0.00000 0.31018 0.05440 54 7D-2 -0.09229 0.00000 0.00000 -0.46134 -0.23081 55 3 O 1S -0.00267 0.00000 0.00000 -0.01008 0.00221 56 2S -0.00439 0.00000 0.00000 -0.01807 0.00526 57 2PX 0.00520 0.00000 0.00000 0.07343 -0.08090 58 2PY -0.01606 0.00000 0.00000 -0.09969 0.01620 59 2PZ 0.00000 -0.00853 0.01263 0.00000 0.00000 60 3S 0.07372 0.00000 0.00000 0.33350 -0.17349 61 3PX -0.00390 0.00000 0.00000 -0.12228 0.14879 62 3PY 0.02504 0.00000 0.00000 0.21748 -0.04944 63 3PZ 0.00000 0.02281 -0.01214 0.00000 0.00000 64 4S -0.68424 0.00000 0.00000 -1.34075 0.98826 65 4PX 0.00716 0.00000 0.00000 -0.85587 0.37995 66 4PY -0.47141 0.00000 0.00000 -0.39333 0.23649 67 4PZ 0.00000 -0.39525 -0.15334 0.00000 0.00000 68 5S -1.19838 0.00000 0.00000 -1.16663 0.34454 69 5PX -0.09424 0.00000 0.00000 -0.01689 -0.18334 70 5PY -0.28509 0.00000 0.00000 -0.27001 0.20397 71 5PZ 0.00000 0.02551 0.03944 0.00000 0.00000 72 6D 0 0.02008 0.00000 0.00000 -1.07419 0.31364 73 6D+1 0.00000 -0.04944 0.59888 0.00000 0.00000 74 6D-1 0.00000 0.95788 -0.41753 0.00000 0.00000 75 6D+2 -0.09816 0.00000 0.00000 -0.02678 -0.25320 76 6D-2 -0.07526 0.00000 0.00000 0.27928 0.14065 77 7D 0 -0.00380 0.00000 0.00000 0.80065 -0.30823 78 7D+1 0.00000 -0.01077 -0.51564 0.00000 0.00000 79 7D-1 0.00000 -0.66203 0.34275 0.00000 0.00000 80 7D+2 0.05788 0.00000 0.00000 -0.04786 0.34190 81 7D-2 0.03460 0.00000 0.00000 -0.12044 -0.11457 82 4 O 1S -0.00095 0.00000 0.00000 -0.00297 0.00054 83 2S -0.00125 0.00000 0.00000 -0.00279 -0.00076 84 2PX 0.01440 0.00000 0.00000 0.09557 -0.06963 85 2PY -0.01466 0.00000 0.00000 -0.09657 -0.00630 86 2PZ 0.00000 0.03173 -0.01389 0.00000 0.00000 87 3S 0.01111 0.00000 0.00000 -0.08061 0.11263 88 3PX -0.02352 0.00000 0.00000 -0.21943 0.17037 89 3PY 0.02799 0.00000 0.00000 0.19663 0.00298 90 3PZ 0.00000 -0.05363 0.01490 0.00000 0.00000 91 4S 0.00370 0.00000 0.00000 0.93049 -0.71340 92 4PX 0.02916 0.00000 0.00000 -0.45923 0.38930 93 4PY -0.02499 0.00000 0.00000 0.15364 -0.41313 94 4PZ 0.00000 0.06140 0.20580 0.00000 0.00000 95 5S 0.24745 0.00000 0.00000 0.06747 0.08778 96 5PX -0.04748 0.00000 0.00000 0.03002 -0.10174 97 5PY 0.06970 0.00000 0.00000 0.03545 -0.02051 98 5PZ 0.00000 0.01371 -0.03596 0.00000 0.00000 99 6D 0 -0.96369 0.00000 0.00000 0.00088 -0.20579 100 6D+1 0.00000 0.34087 0.88623 0.00000 0.00000 101 6D-1 0.00000 -0.55067 -0.20540 0.00000 0.00000 102 6D+2 -0.27193 0.00000 0.00000 -0.29304 -0.68930 103 6D-2 0.50770 0.00000 0.00000 -0.09213 -0.79734 104 7D 0 0.47134 0.00000 0.00000 -0.11271 0.22212 105 7D+1 0.00000 -0.15488 -0.61893 0.00000 0.00000 106 7D-1 0.00000 0.30202 0.16548 0.00000 0.00000 107 7D+2 0.13701 0.00000 0.00000 0.25557 0.31745 108 7D-2 -0.24697 0.00000 0.00000 -0.09538 0.62166 109 5 H 1S 0.02482 0.00000 0.00000 0.01624 0.04628 110 2S -0.12548 0.00000 0.00000 -0.37929 0.06116 111 3S 0.17158 0.00000 0.00000 -0.05495 -0.10275 112 4PX -0.00857 0.00000 0.00000 0.02044 -0.07183 113 4PY 0.03398 0.00000 0.00000 0.19058 0.01415 114 4PZ 0.00000 0.02708 -0.04632 0.00000 0.00000 115 6 H 1S -0.00020 -0.02166 0.00253 -0.00128 0.01168 116 2S -0.01454 -0.14254 -0.02212 -0.01447 -0.10239 117 3S 0.01204 0.00017 -0.00253 0.04380 0.04034 118 4PX 0.00361 -0.01448 -0.01555 0.00238 0.00523 119 4PY 0.00598 0.01017 0.01346 0.00746 0.01543 120 4PZ 0.00451 0.03028 0.00516 0.03117 0.01845 121 7 H 1S -0.00020 0.02166 -0.00253 -0.00128 0.01168 122 2S -0.01454 0.14254 0.02212 -0.01447 -0.10239 123 3S 0.01204 -0.00017 0.00253 0.04380 0.04034 124 4PX 0.00361 0.01448 0.01555 0.00238 0.00523 125 4PY 0.00598 -0.01017 -0.01346 0.00746 0.01543 126 4PZ -0.00451 0.03028 0.00516 -0.03117 -0.01845 127 8 H 1S -0.00172 0.00000 0.00000 0.00089 -0.01184 128 2S 0.01631 0.00000 0.00000 -0.12134 -0.00136 129 3S 0.07353 0.00000 0.00000 0.09160 -0.08658 130 4PX -0.00478 0.00000 0.00000 -0.06148 -0.00112 131 4PY -0.00429 0.00000 0.00000 -0.01971 -0.01486 132 4PZ 0.00000 0.03491 -0.00650 0.00000 0.00000 126 127 128 129 130 V V V V V Eigenvalues -- 7.08472 7.20704 7.52863 23.90968 23.96733 1 1 C 1S -0.00077 0.00051 0.00524 1.16088 -1.67714 2 2S -0.00174 0.00117 0.00183 -1.27605 1.84922 3 2PX -0.02111 0.01801 -0.00533 -0.02747 -0.02623 4 2PY -0.06083 0.02824 -0.09231 0.01830 0.02680 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 6 3S 0.10067 -0.08895 0.00825 0.40288 -0.72248 7 3PX 0.13627 -0.16268 0.02387 0.02481 0.05733 8 3PY 0.16836 -0.06876 0.31364 -0.04485 -0.09423 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 4S 0.12990 0.21316 -0.02008 0.13904 0.13133 11 4PX 0.08506 -0.08825 0.10828 0.07679 0.10901 12 4PY 0.14685 -0.21586 0.05332 -0.10236 -0.17940 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 14 5S -0.29658 0.95808 0.47906 -0.65979 0.57413 15 5PX -0.09112 0.19207 0.10788 -0.13729 0.08940 16 5PY -0.04129 -0.15684 0.00986 0.03926 -0.02499 17 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 18 6D 0 -0.00023 -0.01193 0.02648 0.00026 0.00265 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 0.00656 -0.02610 0.00363 -0.00509 0.00696 22 6D-2 0.00841 0.01167 0.03301 0.00381 -0.00352 23 7D 0 0.11855 0.02371 0.09525 -0.05395 -0.13357 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 0.11824 -0.10905 0.13273 0.01528 0.04441 27 7D-2 0.02603 -0.01763 0.05199 -0.02309 -0.05541 28 2 C 1S 0.00122 0.01096 0.00966 -1.67616 -1.16366 29 2S 0.00506 0.04096 0.01306 1.84882 1.28750 30 2PX 0.00515 -0.03025 0.02859 -0.01280 0.05206 31 2PY -0.00661 0.04962 -0.05948 -0.01206 -0.03700 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S -0.09550 -0.64082 -0.31090 -0.68066 -0.57690 34 3PX -0.10232 0.02053 -0.18293 -0.05339 -0.18084 35 3PY 0.22135 0.79370 0.57292 0.22665 0.21631 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S -0.30738 -1.96033 -0.27568 -0.47508 -0.41944 38 4PX 0.15299 0.17959 0.07436 0.03962 -0.08442 39 4PY 0.00281 1.25232 0.25699 0.15759 0.25320 40 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 41 5S 0.20622 -1.05534 -0.52048 0.61990 -0.38358 42 5PX -0.16398 0.34583 0.23317 -0.12908 0.14405 43 5PY 0.14406 -0.03053 -0.21034 0.08653 -0.06550 44 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 45 6D 0 0.00233 0.00070 0.04433 0.05238 0.04044 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 0.03616 0.06315 0.02072 0.03905 0.02362 49 6D-2 0.06222 0.02746 0.08157 0.00368 0.00509 50 7D 0 -0.02113 0.17545 -0.15818 0.15277 0.08593 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 0.01485 0.39492 0.32089 -0.00310 0.16196 54 7D-2 0.48396 -0.42836 0.65110 -0.00708 -0.21060 55 3 O 1S 0.00410 0.00383 -0.01042 0.00156 -0.00335 56 2S 0.00270 0.00742 -0.01551 0.00063 0.00065 57 2PX 0.13751 0.02504 0.03038 0.00324 0.00880 58 2PY -0.09273 -0.12035 -0.10039 -0.05402 -0.04621 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S 0.18721 -0.16205 0.09719 -0.11634 -0.06182 61 3PX -0.35995 -0.01776 0.08482 -0.00441 -0.02286 62 3PY 0.20610 0.20266 0.14244 0.11729 0.11582 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -1.55429 1.32001 0.85917 0.69976 0.68013 65 4PX -0.87239 -1.19403 0.26724 -0.06074 -0.08699 66 4PY 0.87196 1.43528 0.68507 0.43816 0.34978 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S 1.13027 1.98405 0.66653 -0.05436 0.26224 69 5PX 0.37513 0.48200 0.13066 0.03925 0.19650 70 5PY -0.20212 0.11486 -0.09731 -0.13751 -0.12509 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.01045 0.20494 -0.22453 0.02100 0.00524 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 0.26963 0.99187 0.56166 0.02210 0.01671 76 6D-2 -0.66809 0.61221 -0.72135 0.00281 0.00538 77 7D 0 0.19655 -0.22377 0.10594 -0.12465 -0.07478 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 -0.52785 -1.06218 -0.59936 -0.16683 -0.12609 81 7D-2 0.86592 -0.53228 0.69643 -0.03128 -0.05419 82 4 O 1S -0.00019 -0.00087 -0.01581 -0.00097 -0.00350 83 2S 0.00404 -0.00013 -0.02339 0.00006 0.00012 84 2PX 0.17946 0.05063 0.09048 -0.00023 0.00410 85 2PY -0.05580 -0.12581 -0.02238 -0.00298 -0.00809 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S -0.28666 -0.07261 0.19396 0.00664 0.02645 88 3PX -0.37427 -0.12529 -0.34508 -0.00036 -0.01537 89 3PY 0.12921 0.23040 0.12564 0.00790 0.02581 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4S 1.75560 0.86290 0.02062 -0.00048 -0.02863 92 4PX -1.20558 -0.40303 0.24557 -0.00821 0.04625 93 4PY 0.35249 0.17194 -0.23954 -0.02477 -0.06402 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S -0.82836 -1.06400 -0.78032 -0.00563 -0.31134 96 5PX 0.42137 0.29267 0.17492 0.00829 0.06130 97 5PY -0.11409 -0.17941 -0.07813 0.05491 0.01522 98 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 99 6D 0 0.42625 -0.05559 -0.39834 -0.00299 -0.00760 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 -0.75706 -0.16681 0.33341 -0.00076 -0.00252 103 6D-2 0.34985 0.06776 -0.57297 -0.00370 -0.00887 104 7D 0 -0.49664 -0.02104 0.23352 0.00685 0.01883 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.81324 0.06675 -0.11836 -0.00011 0.00166 108 7D-2 -0.45502 -0.25507 0.37925 0.00297 0.01701 109 5 H 1S -0.02519 0.01989 -0.05517 -0.01611 0.00338 110 2S -0.32723 0.11079 -0.65431 0.29721 0.33719 111 3S 0.05246 -0.27520 0.16526 -0.13523 -0.10807 112 4PX 0.10135 -0.04488 0.15802 -0.09996 -0.14028 113 4PY -0.02498 0.06478 0.02795 -0.09268 -0.04419 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 115 6 H 1S -0.02183 0.01021 -0.02686 0.01866 -0.00177 116 2S -0.03972 -0.06485 -0.04141 -0.12140 0.29284 117 3S -0.01343 0.03108 0.03955 0.11472 -0.12054 118 4PX -0.00551 0.00135 -0.00759 -0.00841 0.00893 119 4PY 0.02085 0.01161 0.02846 0.04171 -0.09474 120 4PZ -0.00060 0.00579 0.01387 0.06445 -0.11987 121 7 H 1S -0.02183 0.01021 -0.02686 0.01866 -0.00177 122 2S -0.03972 -0.06485 -0.04141 -0.12140 0.29284 123 3S -0.01343 0.03108 0.03955 0.11472 -0.12054 124 4PX -0.00551 0.00135 -0.00759 -0.00841 0.00893 125 4PY 0.02085 0.01161 0.02846 0.04171 -0.09474 126 4PZ 0.00060 -0.00579 -0.01387 -0.06445 0.11987 127 8 H 1S 0.02887 0.00435 0.04829 0.01456 -0.01262 128 2S 0.15477 -0.11471 0.06146 -0.18438 0.15141 129 3S -0.03154 -0.10027 0.08411 0.10577 -0.09371 130 4PX 0.05079 -0.05086 0.05283 -0.06673 0.07398 131 4PY 0.01157 -0.02634 0.00650 -0.06964 0.09723 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 V V Eigenvalues -- 49.79844 49.90219 1 1 C 1S 0.00297 0.00382 2 2S -0.00508 -0.00656 3 2PX -0.00884 -0.00575 4 2PY 0.00369 0.00666 5 2PZ 0.00000 0.00000 6 3S 0.00492 0.01345 7 3PX 0.04919 0.03765 8 3PY -0.01521 -0.03235 9 3PZ 0.00000 0.00000 10 4S 0.28090 0.19432 11 4PX 0.07666 0.06808 12 4PY -0.10188 -0.05521 13 4PZ 0.00000 0.00000 14 5S -0.41075 0.13863 15 5PX -0.11686 0.02879 16 5PY 0.04898 0.02521 17 5PZ 0.00000 0.00000 18 6D 0 -0.00162 -0.00299 19 6D+1 0.00000 0.00000 20 6D-1 0.00000 0.00000 21 6D+2 0.00162 0.00176 22 6D-2 0.00011 -0.00275 23 7D 0 -0.00069 -0.00901 24 7D+1 0.00000 0.00000 25 7D-1 0.00000 0.00000 26 7D+2 -0.00562 -0.00253 27 7D-2 -0.04498 -0.02367 28 2 C 1S -0.00261 0.00245 29 2S 0.00509 -0.00399 30 2PX 0.00260 -0.00435 31 2PY 0.01427 0.01047 32 2PZ 0.00000 0.00000 33 3S -0.02162 0.02755 34 3PX -0.02633 0.01213 35 3PY 0.01187 -0.03677 36 3PZ 0.00000 0.00000 37 4S -0.56192 -0.36874 38 4PX 0.15513 0.09017 39 4PY 0.18436 0.06933 40 4PZ 0.00000 0.00000 41 5S 0.42546 -0.02604 42 5PX -0.10181 0.09699 43 5PY 0.03219 -0.11559 44 5PZ 0.00000 0.00000 45 6D 0 -0.00724 -0.01097 46 6D+1 0.00000 0.00000 47 6D-1 0.00000 0.00000 48 6D+2 -0.00966 -0.00389 49 6D-2 -0.00479 -0.00803 50 7D 0 0.05494 0.06145 51 7D+1 0.00000 0.00000 52 7D-1 0.00000 0.00000 53 7D+2 -0.04505 -0.05282 54 7D-2 0.01257 -0.01552 55 3 O 1S -2.11772 -0.75269 56 2S 2.20993 0.78709 57 2PX -0.00014 -0.00152 58 2PY 0.00602 0.00569 59 2PZ 0.00000 0.00000 60 3S -0.35348 -0.11696 61 3PX -0.00075 -0.01115 62 3PY -0.02773 -0.01412 63 3PZ 0.00000 0.00000 64 4S 0.71464 0.06828 65 4PX 0.11432 -0.11028 66 4PY 0.12552 0.08350 67 4PZ 0.00000 0.00000 68 5S -0.47977 0.35316 69 5PX -0.23234 0.14107 70 5PY 0.12166 -0.02945 71 5PZ 0.00000 0.00000 72 6D 0 0.01180 0.00871 73 6D+1 0.00000 0.00000 74 6D-1 0.00000 0.00000 75 6D+2 0.00270 -0.00711 76 6D-2 0.00301 0.00995 77 7D 0 -0.04508 -0.00907 78 7D+1 0.00000 0.00000 79 7D-1 0.00000 0.00000 80 7D+2 0.00197 0.01043 81 7D-2 -0.01707 -0.01143 82 4 O 1S 0.75202 -2.11729 83 2S -0.78187 2.20600 84 2PX -0.00196 -0.00273 85 2PY 0.00122 0.00318 86 2PZ 0.00000 0.00000 87 3S 0.11309 -0.30738 88 3PX 0.01739 0.02118 89 3PY -0.00834 -0.01623 90 3PZ 0.00000 0.00000 91 4S -0.29061 0.43689 92 4PX 0.10318 -0.10605 93 4PY -0.05737 0.06250 94 4PZ 0.00000 0.00000 95 5S 0.56723 -0.57668 96 5PX -0.18431 0.15342 97 5PY 0.08345 -0.09890 98 5PZ 0.00000 0.00000 99 6D 0 0.00314 0.00908 100 6D+1 0.00000 0.00000 101 6D-1 0.00000 0.00000 102 6D+2 -0.00259 -0.00799 103 6D-2 0.00043 0.01002 104 7D 0 0.00692 -0.02387 105 7D+1 0.00000 0.00000 106 7D-1 0.00000 0.00000 107 7D+2 -0.00966 0.02099 108 7D-2 0.01883 -0.02620 109 5 H 1S 0.00720 0.00364 110 2S 0.05589 0.08705 111 3S -0.07243 -0.03328 112 4PX -0.00734 -0.00944 113 4PY -0.02932 -0.02554 114 4PZ 0.00000 0.00000 115 6 H 1S 0.00237 0.00188 116 2S -0.02626 -0.00644 117 3S 0.02147 0.00167 118 4PX 0.00211 0.00055 119 4PY 0.00457 -0.00048 120 4PZ 0.00064 -0.00137 121 7 H 1S 0.00237 0.00188 122 2S -0.02626 -0.00644 123 3S 0.02147 0.00167 124 4PX 0.00211 0.00055 125 4PY 0.00457 -0.00048 126 4PZ -0.00064 0.00137 127 8 H 1S 0.00405 0.00030 128 2S 0.00311 -0.00317 129 3S -0.05076 0.01149 130 4PX 0.00394 0.00048 131 4PY 0.00625 0.00150 132 4PZ 0.00000 0.00000 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65768 2 2S 0.55843 0.48639 3 2PX 0.00202 0.00277 0.08088 4 2PY -0.00045 -0.00050 0.00380 0.08761 5 2PZ 0.00000 0.00000 0.00000 -0.00000 0.08564 6 3S -0.07418 -0.13187 -0.00487 -0.00003 0.00000 7 3PX -0.00025 -0.00012 0.11511 0.00306 0.00000 8 3PY 0.00122 0.00152 0.00269 0.12158 -0.00000 9 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.11918 10 4S -0.06559 -0.09511 -0.01894 0.00595 -0.00000 11 4PX 0.00148 0.00360 0.07208 0.00759 0.00000 12 4PY 0.00065 -0.00036 0.00482 0.08299 -0.00000 13 4PZ -0.00000 0.00000 0.00000 -0.00000 0.07750 14 5S -0.04452 -0.05523 -0.01928 0.00083 -0.00000 15 5PX -0.00812 -0.01022 -0.00083 0.00278 -0.00000 16 5PY 0.00279 0.00360 0.00447 0.00717 -0.00000 17 5PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00619 18 6D 0 0.00010 0.00021 -0.00123 0.00508 -0.00000 19 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00048 20 6D-1 -0.00000 -0.00000 0.00000 0.00000 0.00565 21 6D+2 -0.00017 -0.00021 0.00346 -0.00222 0.00000 22 6D-2 0.00017 0.00025 -0.00539 -0.00179 0.00000 23 7D 0 0.00170 0.00165 -0.00266 0.00276 -0.00000 24 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00131 25 7D-1 0.00000 -0.00000 0.00000 -0.00000 0.00180 26 7D+2 -0.00092 -0.00098 0.00284 -0.00281 0.00000 27 7D-2 0.00128 0.00142 -0.00453 -0.00007 0.00000 28 2 C 1S 0.00435 0.00664 -0.01757 0.00807 -0.00000 29 2S 0.00663 0.01019 -0.02820 0.01316 -0.00000 30 2PX 0.01466 0.02339 -0.05749 0.02486 -0.00000 31 2PY -0.00467 -0.00735 0.02337 -0.00565 0.00000 32 2PZ 0.00000 0.00000 -0.00000 0.00000 0.01216 33 3S -0.01561 -0.02481 0.08095 -0.03802 0.00000 34 3PX 0.02353 0.03576 -0.08435 0.03616 -0.00000 35 3PY -0.00752 -0.01108 0.03320 -0.00730 0.00000 36 3PZ 0.00000 0.00000 -0.00000 0.00000 0.01947 37 4S -0.00531 -0.01087 0.05374 -0.02946 0.00000 38 4PX 0.01001 0.01572 -0.04629 0.01667 -0.00000 39 4PY -0.00212 -0.00216 0.00764 -0.01006 0.00000 40 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00563 41 5S 0.03566 0.04465 0.01739 0.00173 -0.00000 42 5PX -0.00961 -0.01178 -0.00494 -0.00083 0.00000 43 5PY 0.00516 0.00644 -0.00200 -0.00156 0.00000 44 5PZ -0.00000 -0.00000 0.00000 0.00000 -0.00192 45 6D 0 0.00048 0.00077 -0.00091 0.00033 -0.00000 46 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00282 47 6D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00191 48 6D+2 -0.00121 -0.00193 0.00232 -0.00416 0.00000 49 6D-2 0.00123 0.00199 -0.00375 -0.00086 0.00000 50 7D 0 0.00130 0.00183 -0.00007 0.00133 -0.00000 51 7D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00620 52 7D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00688 53 7D+2 -0.00382 -0.00442 -0.00047 -0.01061 0.00000 54 7D-2 0.00449 0.00512 -0.00882 -0.00752 0.00000 55 3 O 1S -0.00127 -0.00189 0.00299 -0.00450 0.00000 56 2S -0.00204 -0.00313 0.00479 -0.00741 0.00000 57 2PX -0.00405 -0.00661 0.00601 -0.00659 0.00000 58 2PY 0.00143 0.00213 -0.00599 0.00542 -0.00000 59 2PZ -0.00000 -0.00000 0.00000 -0.00000 -0.01298 60 3S 0.00639 0.01004 -0.01500 0.02483 -0.00000 61 3PX -0.00588 -0.00979 0.00875 -0.01039 0.00000 62 3PY 0.00180 0.00298 -0.00904 0.00858 -0.00000 63 3PZ -0.00000 -0.00000 0.00000 -0.00000 -0.01921 64 4S 0.00315 0.00679 -0.01579 0.01739 -0.00000 65 4PX -0.00518 -0.00899 0.01053 -0.01260 0.00000 66 4PY 0.00052 0.00116 -0.00716 0.00236 -0.00000 67 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.01568 68 5S -0.00259 0.00015 -0.01141 -0.00054 0.00000 69 5PX -0.00509 -0.00556 0.00828 -0.00720 0.00000 70 5PY 0.00178 0.00202 -0.00393 0.00531 -0.00000 71 5PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00769 72 6D 0 0.00010 0.00012 -0.00003 0.00017 -0.00000 73 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00016 74 6D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00008 75 6D+2 -0.00026 -0.00040 0.00073 -0.00058 0.00000 76 6D-2 0.00019 0.00032 -0.00091 0.00069 -0.00000 77 7D 0 0.00021 0.00044 -0.00070 0.00133 -0.00000 78 7D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00013 79 7D-1 -0.00000 -0.00000 0.00000 -0.00000 0.00004 80 7D+2 -0.00076 -0.00127 0.00220 -0.00180 0.00000 81 7D-2 0.00113 0.00145 -0.00422 0.00162 -0.00000 82 4 O 1S 0.00017 0.00030 -0.00089 0.00053 -0.00000 83 2S 0.00030 0.00048 -0.00149 0.00092 -0.00000 84 2PX 0.00286 0.00467 -0.00712 0.00822 -0.00000 85 2PY -0.00262 -0.00423 0.01083 -0.00505 0.00000 86 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00634 87 3S -0.00129 -0.00178 0.00542 -0.00347 0.00000 88 3PX 0.00445 0.00711 -0.01048 0.01197 -0.00000 89 3PY -0.00414 -0.00644 0.01575 -0.00731 0.00000 90 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00901 91 4S 0.00126 0.00191 0.00151 0.00026 -0.00000 92 4PX 0.00174 0.00345 -0.00633 0.00876 -0.00000 93 4PY -0.00232 -0.00419 0.01397 -0.00582 0.00000 94 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00957 95 5S 0.00744 0.00702 -0.00533 0.00971 -0.00000 96 5PX -0.00066 -0.00005 -0.00050 -0.00073 0.00000 97 5PY -0.00055 -0.00126 0.00561 -0.00191 0.00000 98 5PZ 0.00000 0.00000 -0.00000 0.00000 0.00638 99 6D 0 0.00011 0.00015 -0.00016 0.00010 -0.00000 100 6D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00010 101 6D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00004 102 6D+2 -0.00005 -0.00010 0.00021 -0.00013 0.00000 103 6D-2 0.00014 0.00020 -0.00021 0.00013 -0.00000 104 7D 0 -0.00014 -0.00007 0.00014 0.00011 -0.00000 105 7D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00043 106 7D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00012 107 7D+2 -0.00014 -0.00023 0.00023 -0.00019 0.00000 108 7D-2 0.00003 0.00020 -0.00047 0.00005 -0.00000 109 5 H 1S 0.00451 0.00740 -0.01588 0.00117 -0.00000 110 2S 0.00590 0.01069 -0.02284 0.00765 -0.00000 111 3S 0.00247 0.00372 -0.01911 -0.00310 0.00000 112 4PX 0.00069 0.00043 -0.00136 -0.00004 0.00000 113 4PY -0.00082 -0.00106 0.00163 -0.00111 0.00000 114 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00052 115 6 H 1S -0.01849 -0.02880 -0.00892 0.04400 0.06078 116 2S -0.02751 -0.03944 -0.01045 0.06193 0.08984 117 3S 0.00591 0.00614 -0.00198 0.02045 0.03313 118 4PX -0.00059 -0.00079 0.00434 0.00152 0.00160 119 4PY 0.00365 0.00462 0.00083 0.00054 -0.00658 120 4PZ 0.00499 0.00635 0.00092 -0.00627 -0.00389 121 7 H 1S -0.01849 -0.02880 -0.00892 0.04400 -0.06078 122 2S -0.02751 -0.03944 -0.01045 0.06193 -0.08984 123 3S 0.00591 0.00614 -0.00198 0.02045 -0.03313 124 4PX -0.00059 -0.00079 0.00434 0.00152 -0.00160 125 4PY 0.00365 0.00462 0.00083 0.00054 0.00658 126 4PZ -0.00499 -0.00635 -0.00092 0.00627 -0.00389 127 8 H 1S -0.01892 -0.02954 -0.05299 -0.05635 0.00000 128 2S -0.02673 -0.03909 -0.07522 -0.08041 0.00000 129 3S 0.00496 0.00513 -0.02117 -0.02594 0.00000 130 4PX -0.00397 -0.00512 -0.00234 -0.00709 0.00000 131 4PY -0.00461 -0.00591 -0.00622 -0.00257 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00510 6 7 8 9 10 6 3S 0.39653 7 3PX 0.00138 0.16418 8 3PY -0.00402 0.00046 0.16898 9 3PZ 0.00000 0.00000 -0.00000 0.16592 10 4S 0.22949 -0.02173 0.00661 -0.00000 0.14553 11 4PX -0.01209 0.10255 0.00856 0.00000 -0.01598 12 4PY 0.00431 0.00471 0.11537 -0.00000 0.00834 13 4PZ -0.00000 0.00000 -0.00000 0.10801 -0.00000 14 5S 0.10204 -0.02623 0.00406 -0.00000 0.07947 15 5PX 0.01945 -0.00108 0.00442 -0.00000 0.01540 16 5PY -0.00714 0.00619 0.00942 -0.00000 -0.00601 17 5PZ 0.00000 -0.00000 -0.00000 0.00859 0.00000 18 6D 0 -0.00079 -0.00191 0.00709 -0.00000 0.00027 19 6D+1 0.00000 0.00000 0.00000 -0.00061 -0.00000 20 6D-1 -0.00000 0.00000 0.00000 0.00782 -0.00000 21 6D+2 0.00043 0.00498 -0.00320 0.00000 -0.00105 22 6D-2 -0.00070 -0.00769 -0.00231 0.00000 0.00030 23 7D 0 -0.00138 -0.00385 0.00398 -0.00000 0.00066 24 7D+1 0.00000 0.00000 0.00000 0.00203 0.00000 25 7D-1 0.00000 0.00000 -0.00000 0.00247 -0.00000 26 7D+2 0.00122 0.00414 -0.00390 0.00000 -0.00050 27 7D-2 -0.00218 -0.00663 0.00017 0.00000 -0.00109 28 2 C 1S -0.01616 -0.02782 0.01368 -0.00000 -0.00316 29 2S -0.02558 -0.04333 0.02084 -0.00000 -0.00336 30 2PX -0.06548 -0.08427 0.03704 -0.00000 -0.03496 31 2PY 0.01880 0.03226 -0.00805 0.00000 -0.00843 32 2PZ -0.00000 -0.00000 0.00000 0.01883 0.00000 33 3S 0.06657 0.12009 -0.05594 0.00000 0.00057 34 3PX -0.09461 -0.12364 0.05382 -0.00000 -0.05023 35 3PY 0.02628 0.04611 -0.01039 0.00000 -0.01021 36 3PZ -0.00000 -0.00000 0.00000 0.02997 0.00000 37 4S 0.03596 0.07734 -0.04277 0.00000 -0.01901 38 4PX -0.04347 -0.06707 0.02594 -0.00000 -0.01608 39 4PY 0.00168 0.01093 -0.01427 0.00000 -0.01060 40 4PZ -0.00000 -0.00000 0.00000 0.00995 0.00000 41 5S -0.08398 0.02417 -0.00064 0.00000 -0.06760 42 5PX 0.02104 -0.00683 -0.00010 -0.00000 0.01922 43 5PY -0.01218 -0.00318 -0.00206 0.00000 -0.00998 44 5PZ 0.00000 0.00000 0.00000 -0.00238 0.00000 45 6D 0 -0.00209 -0.00149 0.00053 -0.00000 -0.00137 46 6D+1 0.00000 0.00000 0.00000 -0.00391 0.00000 47 6D-1 0.00000 0.00000 -0.00000 0.00248 -0.00000 48 6D+2 0.00523 0.00327 -0.00586 0.00000 0.00056 49 6D-2 -0.00564 -0.00544 -0.00078 0.00000 -0.00310 50 7D 0 -0.00426 -0.00022 0.00171 -0.00000 -0.00339 51 7D+1 0.00000 0.00000 0.00000 -0.00861 0.00000 52 7D-1 0.00000 0.00000 -0.00000 0.00928 0.00000 53 7D+2 0.00706 -0.00052 -0.01474 0.00000 0.00197 54 7D-2 -0.00807 -0.01240 -0.00951 0.00000 -0.00258 55 3 O 1S 0.00487 0.00151 -0.00558 0.00000 -0.01235 56 2S 0.00811 0.00341 -0.00955 0.00000 -0.01499 57 2PX 0.01901 0.00784 -0.01319 0.00000 0.00055 58 2PY -0.00477 -0.00778 0.00710 -0.00000 0.00454 59 2PZ 0.00000 0.00000 -0.00000 -0.01525 -0.00000 60 3S -0.02627 -0.01472 0.03345 -0.00000 0.02787 61 3PX 0.02870 0.01151 -0.02051 0.00000 0.00155 62 3PY -0.00759 -0.01172 0.01135 -0.00000 0.00691 63 3PZ 0.00000 0.00000 -0.00000 -0.02255 -0.00000 64 4S -0.02351 -0.01771 0.02448 -0.00000 0.01852 65 4PX 0.02752 0.01437 -0.02208 0.00000 0.00263 66 4PY -0.00357 -0.00961 0.00250 -0.00000 0.00313 67 4PZ 0.00000 0.00000 -0.00000 -0.01852 -0.00000 68 5S -0.01340 -0.01730 0.00010 -0.00000 -0.01210 69 5PX 0.00803 0.01191 -0.01129 0.00000 -0.00427 70 5PY -0.00305 -0.00578 0.00738 -0.00000 0.00181 71 5PZ 0.00000 0.00000 -0.00000 -0.01071 -0.00000 72 6D 0 -0.00020 -0.00009 0.00032 -0.00000 -0.00023 73 6D+1 0.00000 0.00000 -0.00000 -0.00021 0.00000 74 6D-1 0.00000 0.00000 -0.00000 -0.00003 0.00000 75 6D+2 0.00107 0.00098 -0.00086 0.00000 0.00034 76 6D-2 -0.00096 -0.00137 0.00103 -0.00000 -0.00047 77 7D 0 -0.00160 -0.00114 0.00210 -0.00000 -0.00077 78 7D+1 0.00000 0.00000 -0.00000 0.00016 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.00045 0.00000 80 7D+2 0.00367 0.00305 -0.00269 0.00000 0.00261 81 7D-2 -0.00299 -0.00627 0.00251 -0.00000 -0.00044 82 4 O 1S -0.00064 -0.00173 0.00187 -0.00000 -0.00349 83 2S -0.00093 -0.00258 0.00271 -0.00000 -0.00415 84 2PX -0.01367 -0.01045 0.01462 -0.00000 0.00549 85 2PY 0.01174 0.01557 -0.00623 0.00000 0.02447 86 2PZ -0.00000 -0.00000 0.00000 0.00817 -0.00000 87 3S 0.00318 0.00807 -0.00765 0.00000 0.00730 88 3PX -0.02023 -0.01541 0.02145 -0.00000 0.00760 89 3PY 0.01718 0.02267 -0.00913 0.00000 0.03538 90 3PZ -0.00000 -0.00000 0.00000 0.01164 -0.00000 91 4S -0.00582 0.00219 -0.00062 0.00000 0.00338 92 4PX -0.01201 -0.00919 0.01553 -0.00000 0.00962 93 4PY 0.01283 0.02000 -0.00651 0.00000 0.03172 94 4PZ -0.00000 -0.00000 0.00000 0.01216 -0.00000 95 5S -0.00518 -0.00749 0.01512 -0.00000 0.00852 96 5PX -0.00287 -0.00085 -0.00083 0.00000 -0.00126 97 5PY 0.00454 0.00814 -0.00195 0.00000 0.00932 98 5PZ -0.00000 -0.00000 0.00000 0.00843 -0.00000 99 6D 0 -0.00032 -0.00024 0.00021 -0.00000 -0.00016 100 6D+1 0.00000 0.00000 -0.00000 0.00011 0.00000 101 6D-1 0.00000 0.00000 -0.00000 -0.00005 -0.00000 102 6D+2 0.00031 0.00032 -0.00027 0.00000 -0.00005 103 6D-2 -0.00048 -0.00032 0.00027 -0.00000 -0.00042 104 7D 0 -0.00026 0.00017 0.00035 -0.00000 -0.00026 105 7D+1 0.00000 0.00000 -0.00000 0.00050 0.00000 106 7D-1 0.00000 0.00000 -0.00000 -0.00014 -0.00000 107 7D+2 0.00069 0.00037 -0.00058 0.00000 -0.00069 108 7D-2 -0.00103 -0.00073 0.00033 -0.00000 -0.00153 109 5 H 1S -0.02261 -0.02341 0.00320 -0.00000 -0.02504 110 2S -0.03550 -0.03388 0.01266 -0.00000 -0.03712 111 3S -0.01029 -0.02753 -0.00274 0.00000 -0.00460 112 4PX 0.00096 -0.00187 -0.00005 0.00000 0.00341 113 4PY 0.00230 0.00237 -0.00164 0.00000 0.00169 114 4PZ -0.00000 -0.00000 0.00000 0.00086 -0.00000 115 6 H 1S 0.07539 -0.01229 0.06062 0.08442 0.04920 116 2S 0.09301 -0.01463 0.08534 0.12461 0.06084 117 3S -0.00713 -0.00346 0.02845 0.04554 -0.00169 118 4PX 0.00177 0.00618 0.00193 0.00221 0.00029 119 4PY -0.00897 0.00100 0.00085 -0.00914 -0.00523 120 4PZ -0.01241 0.00122 -0.00861 -0.00539 -0.00794 121 7 H 1S 0.07539 -0.01229 0.06062 -0.08442 0.04920 122 2S 0.09301 -0.01463 0.08534 -0.12461 0.06084 123 3S -0.00713 -0.00346 0.02845 -0.04554 -0.00169 124 4PX 0.00177 0.00618 0.00193 -0.00221 0.00029 125 4PY -0.00897 0.00100 0.00085 0.00914 -0.00523 126 4PZ 0.01241 -0.00122 0.00861 -0.00539 0.00794 127 8 H 1S 0.07763 -0.07245 -0.07730 0.00000 0.05052 128 2S 0.09476 -0.10308 -0.11004 0.00000 0.06339 129 3S -0.00603 -0.02972 -0.03514 0.00000 -0.00347 130 4PX 0.01036 -0.00290 -0.00983 0.00000 0.00628 131 4PY 0.01171 -0.00855 -0.00353 0.00000 0.00777 132 4PZ -0.00000 0.00000 0.00000 0.00711 -0.00000 11 12 13 14 15 11 4PX 0.06789 12 4PY 0.00883 0.07936 13 4PZ 0.00000 -0.00000 0.07052 14 5S -0.00450 0.00828 -0.00000 0.22317 15 5PX 0.00241 0.00438 -0.00000 0.04784 0.01058 16 5PY 0.00294 0.00592 -0.00000 -0.02575 -0.00519 17 5PZ -0.00000 -0.00000 0.00556 0.00000 0.00000 18 6D 0 -0.00077 0.00476 -0.00000 0.00020 0.00016 19 6D+1 0.00000 0.00000 -0.00028 -0.00000 -0.00000 20 6D-1 0.00000 0.00000 0.00498 -0.00000 -0.00000 21 6D+2 0.00268 -0.00208 0.00000 -0.00107 -0.00020 22 6D-2 -0.00499 -0.00182 0.00000 0.00147 0.00004 23 7D 0 -0.00174 0.00267 -0.00000 0.00153 0.00034 24 7D+1 0.00000 0.00000 0.00172 -0.00000 -0.00000 25 7D-1 0.00000 -0.00000 0.00150 0.00000 0.00000 26 7D+2 0.00219 -0.00241 0.00000 0.00205 0.00042 27 7D-2 -0.00424 -0.00003 0.00000 0.00332 0.00055 28 2 C 1S -0.01362 0.01040 -0.00000 0.01088 0.00325 29 2S -0.02022 0.01462 -0.00000 0.01575 0.00464 30 2PX -0.05587 0.02055 -0.00000 -0.00616 -0.00403 31 2PY 0.01343 -0.00425 0.00000 0.02646 0.00601 32 2PZ -0.00000 0.00000 0.01593 -0.00000 -0.00000 33 3S 0.05276 -0.03553 0.00000 -0.04759 -0.01303 34 3PX -0.08181 0.02986 -0.00000 -0.01284 -0.00657 35 3PY 0.02016 -0.00517 0.00000 0.03421 0.00785 36 3PZ -0.00000 0.00000 0.02509 -0.00000 -0.00000 37 4S 0.02861 -0.02721 0.00000 -0.02872 -0.00726 38 4PX -0.04033 0.01551 -0.00000 0.02482 0.00340 39 4PY 0.00043 -0.01035 0.00000 -0.01178 -0.00342 40 4PZ 0.00000 0.00000 0.01087 0.00000 0.00000 41 5S 0.00287 -0.00565 0.00000 -0.21612 -0.04651 42 5PX 0.00034 0.00138 -0.00000 0.07851 0.01676 43 5PY -0.00381 -0.00198 0.00000 -0.01881 -0.00436 44 5PZ 0.00000 0.00000 -0.00098 0.00000 0.00000 45 6D 0 -0.00077 0.00036 -0.00000 0.00091 0.00030 46 6D+1 0.00000 0.00000 -0.00253 -0.00000 -0.00000 47 6D-1 0.00000 -0.00000 0.00130 0.00000 0.00000 48 6D+2 0.00102 -0.00381 0.00000 0.00358 0.00076 49 6D-2 -0.00334 -0.00045 0.00000 0.00361 0.00065 50 7D 0 -0.00071 0.00086 -0.00000 -0.00854 -0.00180 51 7D+1 0.00000 0.00000 -0.00559 -0.00000 -0.00000 52 7D-1 -0.00000 -0.00000 0.00556 0.00000 -0.00000 53 7D+2 -0.00158 -0.00986 0.00000 0.00500 0.00083 54 7D-2 -0.00695 -0.00604 0.00000 0.00914 0.00161 55 3 O 1S -0.00272 -0.00092 0.00000 0.02836 0.00727 56 2S -0.00290 -0.00326 0.00000 0.03974 0.01004 57 2PX -0.00383 -0.01472 0.00000 -0.05490 -0.01303 58 2PY -0.00387 0.00402 -0.00000 -0.01640 -0.00425 59 2PZ 0.00000 -0.00000 -0.00541 0.00000 0.00000 60 3S 0.00322 0.01785 -0.00000 -0.09902 -0.02439 61 3PX -0.00572 -0.02262 0.00000 -0.08309 -0.01976 62 3PY -0.00555 0.00660 -0.00000 -0.02367 -0.00614 63 3PZ 0.00000 -0.00000 -0.00798 0.00000 0.00000 64 4S -0.00088 0.01361 -0.00000 -0.07210 -0.01782 65 4PX -0.00152 -0.02105 0.00000 -0.06965 -0.01643 66 4PY -0.00626 0.00045 -0.00000 -0.02326 -0.00565 67 4PZ 0.00000 -0.00000 -0.00676 0.00000 0.00000 68 5S -0.01288 0.00054 -0.00000 0.00301 0.00091 69 5PX 0.00200 -0.00770 0.00000 -0.04651 -0.00961 70 5PY -0.00189 0.00437 -0.00000 0.00383 0.00076 71 5PZ 0.00000 -0.00000 -0.00699 -0.00000 -0.00000 72 6D 0 0.00003 0.00032 -0.00000 0.00143 0.00035 73 6D+1 0.00000 -0.00000 -0.00014 -0.00000 -0.00000 74 6D-1 0.00000 -0.00000 0.00014 0.00000 0.00000 75 6D+2 0.00065 -0.00060 0.00000 0.00261 0.00061 76 6D-2 -0.00082 0.00064 -0.00000 0.00136 0.00025 77 7D 0 -0.00029 0.00170 -0.00000 0.00377 0.00092 78 7D+1 0.00000 -0.00000 -0.00006 -0.00000 -0.00000 79 7D-1 0.00000 -0.00000 0.00105 0.00000 0.00000 80 7D+2 0.00265 -0.00193 0.00000 0.01128 0.00252 81 7D-2 -0.00336 0.00138 -0.00000 0.01003 0.00190 82 4 O 1S -0.00266 0.00146 -0.00000 -0.02837 -0.00698 83 2S -0.00362 0.00203 -0.00000 -0.03977 -0.00978 84 2PX 0.00426 0.01386 -0.00000 0.10639 0.02382 85 2PY 0.02299 -0.00369 0.00000 0.13085 0.02801 86 2PZ -0.00000 0.00000 0.00278 -0.00000 -0.00000 87 3S 0.00917 -0.00517 0.00000 0.09860 0.02431 88 3PX 0.00611 0.02051 -0.00000 0.15525 0.03478 89 3PY 0.03315 -0.00554 0.00000 0.18701 0.04002 90 3PZ -0.00000 0.00000 0.00396 -0.00000 -0.00000 91 4S 0.00748 0.00175 -0.00000 0.11251 0.02746 92 4PX 0.00708 0.01447 -0.00000 0.12182 0.02705 93 4PY 0.03132 -0.00285 0.00000 0.18750 0.04045 94 4PZ -0.00000 0.00000 0.00405 -0.00000 -0.00000 95 5S 0.00277 0.01106 -0.00000 0.05280 0.01113 96 5PX 0.00014 -0.00017 0.00000 0.01185 0.00279 97 5PY 0.01065 -0.00035 0.00000 0.05303 0.01151 98 5PZ -0.00000 0.00000 0.00423 -0.00000 -0.00000 99 6D 0 -0.00006 0.00024 -0.00000 0.00118 0.00028 100 6D+1 0.00000 -0.00000 0.00005 -0.00000 -0.00000 101 6D-1 -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 102 6D+2 -0.00001 -0.00029 0.00000 -0.00263 -0.00058 103 6D-2 -0.00019 0.00033 -0.00000 0.00039 0.00012 104 7D 0 0.00030 0.00059 -0.00000 0.00222 0.00058 105 7D+1 0.00000 -0.00000 0.00027 0.00000 0.00000 106 7D-1 -0.00000 -0.00000 -0.00008 -0.00000 -0.00000 107 7D+2 -0.00074 -0.00079 0.00000 -0.01091 -0.00239 108 7D-2 -0.00074 0.00065 -0.00000 -0.00118 -0.00015 109 5 H 1S -0.02303 0.00073 -0.00000 0.01066 -0.00006 110 2S -0.03285 0.00617 -0.00000 0.00998 -0.00100 111 3S -0.01743 -0.00195 0.00000 0.02574 0.00459 112 4PX 0.00046 0.00011 0.00000 0.00208 0.00067 113 4PY 0.00192 -0.00092 0.00000 -0.00104 -0.00003 114 4PZ -0.00000 0.00000 0.00083 0.00000 0.00000 115 6 H 1S -0.00700 0.04240 0.05455 0.02255 0.00533 116 2S -0.00805 0.05945 0.08017 0.02654 0.00655 117 3S -0.00045 0.01911 0.02840 -0.00474 -0.00046 118 4PX 0.00390 0.00150 0.00142 -0.00055 0.00008 119 4PY 0.00102 0.00048 -0.00592 -0.00224 -0.00038 120 4PZ 0.00074 -0.00605 -0.00347 -0.00354 -0.00083 121 7 H 1S -0.00700 0.04240 -0.05455 0.02255 0.00533 122 2S -0.00805 0.05945 -0.08017 0.02654 0.00655 123 3S -0.00045 0.01911 -0.02840 -0.00474 -0.00046 124 4PX 0.00390 0.00150 -0.00142 -0.00055 0.00008 125 4PY 0.00102 0.00048 0.00592 -0.00224 -0.00038 126 4PZ -0.00074 0.00605 -0.00347 0.00354 0.00083 127 8 H 1S -0.05167 -0.05330 0.00000 0.03279 0.00286 128 2S -0.07271 -0.07603 0.00000 0.04627 0.00404 129 3S -0.02107 -0.02474 0.00000 0.00376 -0.00078 130 4PX -0.00239 -0.00652 0.00000 0.00444 0.00061 131 4PY -0.00599 -0.00249 0.00000 0.00353 0.00035 132 4PZ 0.00000 0.00000 0.00464 -0.00000 -0.00000 16 17 18 19 20 16 5PY 0.00405 17 5PZ -0.00000 0.00050 18 6D 0 0.00035 -0.00000 0.00033 19 6D+1 0.00000 -0.00003 0.00000 0.00007 20 6D-1 0.00000 0.00041 -0.00000 -0.00009 0.00042 21 6D+2 0.00002 -0.00000 -0.00020 0.00000 0.00000 22 6D-2 -0.00046 0.00000 -0.00001 -0.00000 -0.00000 23 7D 0 -0.00008 -0.00000 0.00022 0.00000 -0.00000 24 7D+1 0.00000 0.00010 0.00000 0.00023 -0.00011 25 7D-1 -0.00000 0.00009 -0.00000 -0.00009 0.00018 26 7D+2 -0.00043 0.00000 -0.00025 0.00000 0.00000 27 7D-2 -0.00055 0.00000 0.00008 -0.00000 -0.00000 28 2 C 1S -0.00026 0.00000 0.00113 -0.00000 -0.00000 29 2S -0.00029 0.00000 0.00181 -0.00000 -0.00000 30 2PX -0.00065 0.00000 0.00231 -0.00000 -0.00000 31 2PY -0.00221 0.00000 -0.00099 -0.00000 0.00000 32 2PZ 0.00000 0.00073 0.00000 0.00204 -0.00098 33 3S 0.00129 -0.00000 -0.00514 0.00000 0.00000 34 3PX -0.00035 0.00000 0.00340 -0.00000 -0.00000 35 3PY -0.00253 0.00000 -0.00137 -0.00000 0.00000 36 3PZ 0.00000 0.00122 0.00000 0.00311 -0.00143 37 4S -0.00054 0.00000 -0.00349 0.00000 0.00000 38 4PX -0.00373 0.00000 0.00162 -0.00000 -0.00000 39 4PY 0.00129 -0.00000 -0.00098 -0.00000 0.00000 40 4PZ -0.00000 0.00083 0.00000 0.00272 -0.00192 41 5S 0.02599 -0.00000 -0.00013 0.00000 0.00000 42 5PX -0.00926 0.00000 -0.00002 -0.00000 -0.00000 43 5PY 0.00113 -0.00000 -0.00005 -0.00000 0.00000 44 5PZ -0.00000 -0.00019 0.00000 0.00032 -0.00039 45 6D 0 -0.00006 -0.00000 0.00007 0.00000 -0.00000 46 6D+1 0.00000 -0.00022 0.00000 0.00002 -0.00019 47 6D-1 -0.00000 0.00025 -0.00000 -0.00015 0.00025 48 6D+2 -0.00059 0.00000 -0.00029 -0.00000 0.00000 49 6D-2 -0.00059 0.00000 -0.00002 -0.00000 -0.00000 50 7D 0 0.00127 -0.00000 0.00008 0.00000 -0.00000 51 7D+1 0.00000 -0.00052 0.00000 0.00001 -0.00039 52 7D-1 -0.00000 0.00068 -0.00000 -0.00025 0.00064 53 7D+2 -0.00133 0.00000 -0.00061 -0.00000 -0.00000 54 7D-2 -0.00186 0.00000 -0.00033 -0.00000 -0.00000 55 3 O 1S -0.00537 0.00000 -0.00016 -0.00000 0.00000 56 2S -0.00766 0.00000 -0.00031 -0.00000 0.00000 57 2PX 0.00544 -0.00000 -0.00010 0.00000 0.00000 58 2PY -0.00143 0.00000 0.00044 0.00000 -0.00000 59 2PZ 0.00000 -0.00294 0.00000 0.00194 -0.00255 60 3S 0.01957 -0.00000 0.00125 0.00000 -0.00000 61 3PX 0.00841 -0.00000 -0.00019 0.00000 0.00000 62 3PY -0.00206 0.00000 0.00068 0.00000 -0.00000 63 3PZ 0.00000 -0.00437 0.00000 0.00288 -0.00378 64 4S 0.01522 -0.00000 0.00093 -0.00000 -0.00000 65 4PX 0.00569 -0.00000 -0.00046 0.00000 0.00000 66 4PY -0.00010 0.00000 0.00033 0.00000 -0.00000 67 4PZ 0.00000 -0.00351 0.00000 0.00227 -0.00301 68 5S -0.00078 0.00000 0.00015 -0.00000 -0.00000 69 5PX 0.00495 -0.00000 -0.00055 0.00000 0.00000 70 5PY -0.00004 0.00000 0.00046 -0.00000 -0.00000 71 5PZ 0.00000 -0.00058 0.00000 0.00002 -0.00049 72 6D 0 -0.00015 0.00000 0.00001 -0.00000 0.00000 73 6D+1 0.00000 -0.00006 -0.00000 -0.00002 0.00001 74 6D-1 -0.00000 -0.00002 0.00000 0.00009 -0.00008 75 6D+2 -0.00018 0.00000 -0.00003 -0.00000 0.00000 76 6D-2 -0.00027 0.00000 0.00006 -0.00000 -0.00000 77 7D 0 -0.00044 0.00000 0.00009 -0.00000 0.00000 78 7D+1 0.00000 -0.00026 -0.00000 -0.00020 0.00016 79 7D-1 -0.00000 -0.00006 0.00000 0.00042 -0.00036 80 7D+2 -0.00109 0.00000 -0.00009 -0.00000 0.00000 81 7D-2 -0.00180 0.00000 0.00019 -0.00000 -0.00000 82 4 O 1S -0.00006 0.00000 0.00010 -0.00000 0.00000 83 2S -0.00005 0.00000 0.00014 -0.00000 0.00000 84 2PX -0.01296 0.00000 0.00049 -0.00000 -0.00000 85 2PY -0.01670 0.00000 -0.00020 -0.00000 0.00000 86 2PZ 0.00000 -0.00191 -0.00000 -0.00245 0.00231 87 3S -0.00015 0.00000 -0.00038 0.00000 -0.00000 88 3PX -0.01910 0.00000 0.00070 -0.00000 -0.00000 89 3PY -0.02383 0.00000 -0.00029 -0.00000 0.00000 90 3PZ 0.00000 -0.00280 -0.00000 -0.00352 0.00330 91 4S -0.00399 0.00000 -0.00018 0.00000 -0.00000 92 4PX -0.01456 0.00000 0.00053 -0.00000 0.00000 93 4PY -0.02351 0.00000 -0.00025 -0.00000 0.00000 94 4PZ 0.00000 -0.00231 -0.00000 -0.00350 0.00334 95 5S -0.00594 0.00000 0.00065 -0.00000 -0.00000 96 5PX -0.00130 0.00000 -0.00004 -0.00000 0.00000 97 5PY -0.00670 0.00000 -0.00015 0.00000 0.00000 98 5PZ 0.00000 -0.00024 -0.00000 -0.00105 0.00123 99 6D 0 -0.00018 0.00000 0.00000 0.00000 -0.00000 100 6D+1 0.00000 0.00006 -0.00000 0.00001 0.00000 101 6D-1 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 102 6D+2 0.00042 -0.00000 -0.00001 -0.00000 0.00000 103 6D-2 -0.00006 0.00000 0.00000 0.00000 -0.00000 104 7D 0 -0.00037 0.00000 -0.00001 0.00000 -0.00000 105 7D+1 -0.00000 0.00026 0.00000 0.00006 -0.00001 106 7D-1 0.00000 -0.00013 -0.00000 -0.00004 0.00002 107 7D+2 0.00167 -0.00000 -0.00001 -0.00000 0.00000 108 7D-2 0.00007 -0.00000 -0.00002 -0.00000 -0.00000 109 5 H 1S -0.00286 0.00000 -0.00021 -0.00000 0.00000 110 2S -0.00267 0.00000 0.00009 -0.00000 0.00000 111 3S -0.00362 0.00000 0.00001 -0.00000 -0.00000 112 4PX -0.00014 0.00000 0.00010 0.00000 -0.00000 113 4PY 0.00023 -0.00000 -0.00005 0.00000 -0.00000 114 4PZ -0.00000 0.00004 0.00000 0.00016 -0.00010 115 6 H 1S 0.00170 0.00436 0.00259 -0.00055 0.00419 116 2S 0.00289 0.00645 0.00364 -0.00102 0.00637 117 3S 0.00204 0.00226 0.00127 -0.00095 0.00282 118 4PX 0.00032 0.00013 0.00001 -0.00001 0.00011 119 4PY 0.00021 -0.00048 0.00003 0.00005 -0.00045 120 4PZ -0.00024 -0.00028 -0.00036 0.00004 -0.00027 121 7 H 1S 0.00170 -0.00436 0.00259 0.00055 -0.00419 122 2S 0.00289 -0.00645 0.00364 0.00102 -0.00637 123 3S 0.00204 -0.00226 0.00127 0.00095 -0.00282 124 4PX 0.00032 -0.00013 0.00001 0.00001 -0.00011 125 4PY 0.00021 0.00048 0.00003 -0.00005 0.00045 126 4PZ 0.00024 -0.00028 0.00036 0.00004 -0.00027 127 8 H 1S -0.00876 0.00000 -0.00255 -0.00000 -0.00000 128 2S -0.01266 0.00000 -0.00363 -0.00000 -0.00000 129 3S -0.00306 0.00000 -0.00119 -0.00000 -0.00000 130 4PX -0.00100 0.00000 -0.00040 -0.00000 -0.00000 131 4PY -0.00065 0.00000 -0.00006 -0.00000 -0.00000 132 4PZ 0.00000 0.00036 -0.00000 -0.00002 0.00033 21 22 23 24 25 21 6D+2 0.00025 22 6D-2 -0.00017 0.00042 23 7D 0 -0.00024 0.00009 0.00030 24 7D+1 0.00000 -0.00000 0.00000 0.00080 25 7D-1 0.00000 -0.00000 -0.00000 -0.00021 0.00014 26 7D+2 0.00026 -0.00011 -0.00024 0.00000 0.00000 27 7D-2 -0.00014 0.00039 0.00007 -0.00000 0.00000 28 2 C 1S -0.00151 0.00117 0.00305 -0.00000 -0.00000 29 2S -0.00239 0.00185 0.00337 -0.00000 -0.00000 30 2PX -0.00229 0.00409 0.00200 -0.00000 -0.00000 31 2PY 0.00241 -0.00010 -0.00313 -0.00000 0.00000 32 2PZ -0.00000 -0.00000 0.00000 0.00726 -0.00175 33 3S 0.00667 -0.00529 -0.00499 0.00000 0.00000 34 3PX -0.00344 0.00595 0.00296 -0.00000 -0.00000 35 3PY 0.00329 -0.00027 -0.00423 -0.00000 0.00000 36 3PZ -0.00000 -0.00000 0.00000 0.01108 -0.00267 37 4S 0.00499 -0.00271 -0.00487 0.00000 0.00000 38 4PX -0.00207 0.00314 0.00214 -0.00000 -0.00000 39 4PY 0.00151 0.00044 -0.00197 -0.00000 0.00000 40 4PZ -0.00000 -0.00000 0.00000 0.00908 -0.00289 41 5S 0.00100 -0.00145 -0.00154 0.00000 -0.00000 42 5PX -0.00021 0.00054 0.00045 -0.00000 0.00000 43 5PY 0.00006 0.00021 -0.00006 -0.00000 -0.00000 44 5PZ 0.00000 -0.00000 0.00000 0.00102 -0.00031 45 6D 0 -0.00006 0.00011 -0.00002 0.00000 -0.00000 46 6D+1 0.00000 -0.00000 -0.00000 -0.00002 -0.00005 47 6D-1 0.00000 0.00000 -0.00000 -0.00048 0.00011 48 6D+2 0.00033 0.00005 -0.00047 -0.00000 0.00000 49 6D-2 -0.00009 0.00032 0.00006 -0.00000 0.00000 50 7D 0 0.00000 0.00001 -0.00009 0.00000 -0.00000 51 7D+1 0.00000 -0.00000 -0.00000 -0.00015 -0.00006 52 7D-1 0.00000 0.00000 -0.00000 -0.00067 0.00024 53 7D+2 0.00035 0.00034 -0.00057 -0.00000 0.00000 54 7D-2 -0.00023 0.00069 0.00024 -0.00000 0.00000 55 3 O 1S 0.00035 0.00008 -0.00077 -0.00000 0.00000 56 2S 0.00059 0.00012 -0.00122 -0.00000 0.00000 57 2PX 0.00094 0.00031 -0.00181 0.00000 -0.00000 58 2PY -0.00109 -0.00114 0.00230 0.00000 -0.00000 59 2PZ 0.00000 0.00000 -0.00000 0.00680 -0.00087 60 3S -0.00201 -0.00028 0.00369 0.00000 -0.00000 61 3PX 0.00140 0.00049 -0.00271 0.00000 -0.00000 62 3PY -0.00164 -0.00167 0.00344 0.00000 -0.00000 63 3PZ 0.00000 0.00000 -0.00000 0.01010 -0.00128 64 4S -0.00144 0.00081 0.00228 0.00000 0.00000 65 4PX 0.00126 0.00006 -0.00208 0.00000 -0.00000 66 4PY -0.00097 -0.00084 0.00176 0.00000 -0.00000 67 4PZ 0.00000 0.00000 -0.00000 0.00795 -0.00100 68 5S -0.00038 0.00073 -0.00004 -0.00000 -0.00000 69 5PX 0.00051 -0.00091 -0.00084 0.00000 -0.00000 70 5PY -0.00038 0.00029 0.00043 -0.00000 -0.00000 71 5PZ 0.00000 -0.00000 -0.00000 -0.00019 -0.00012 72 6D 0 0.00000 0.00003 -0.00001 -0.00000 0.00000 73 6D+1 0.00000 -0.00000 -0.00000 -0.00006 0.00005 74 6D-1 0.00000 0.00000 -0.00000 0.00029 -0.00008 75 6D+2 0.00007 0.00004 -0.00013 -0.00000 -0.00000 76 6D-2 -0.00004 0.00007 0.00006 -0.00000 -0.00000 77 7D 0 -0.00007 0.00005 0.00010 -0.00000 0.00000 78 7D+1 0.00000 -0.00000 -0.00000 -0.00056 0.00037 79 7D-1 0.00000 0.00000 0.00000 0.00143 -0.00038 80 7D+2 0.00016 0.00007 -0.00023 -0.00000 0.00000 81 7D-2 -0.00021 0.00032 0.00031 0.00000 -0.00000 82 4 O 1S -0.00004 0.00021 0.00053 -0.00000 0.00000 83 2S -0.00005 0.00032 0.00075 -0.00000 0.00000 84 2PX -0.00105 -0.00001 0.00207 -0.00000 0.00000 85 2PY 0.00024 0.00015 0.00083 -0.00000 0.00000 86 2PZ -0.00000 0.00000 -0.00000 -0.00701 0.00403 87 3S 0.00014 -0.00093 -0.00192 0.00000 -0.00000 88 3PX -0.00154 -0.00002 0.00306 -0.00000 0.00000 89 3PY 0.00036 0.00020 0.00117 -0.00000 0.00000 90 3PZ -0.00000 0.00000 -0.00000 -0.01004 0.00581 91 4S -0.00034 -0.00104 -0.00081 0.00000 -0.00000 92 4PX -0.00105 0.00011 0.00219 -0.00000 0.00000 93 4PY 0.00024 0.00018 0.00124 -0.00000 0.00000 94 4PZ -0.00000 0.00000 -0.00000 -0.01013 0.00552 95 5S -0.00061 0.00057 0.00128 -0.00000 0.00000 96 5PX -0.00006 -0.00005 0.00005 -0.00000 0.00000 97 5PY 0.00014 -0.00005 0.00034 -0.00000 0.00000 98 5PZ -0.00000 0.00000 -0.00000 -0.00299 0.00158 99 6D 0 -0.00002 -0.00001 0.00003 -0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00001 -0.00004 101 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00001 102 6D+2 0.00003 0.00001 -0.00006 -0.00000 -0.00000 103 6D-2 -0.00002 -0.00001 0.00002 -0.00000 0.00000 104 7D 0 -0.00003 -0.00006 0.00006 0.00000 0.00000 105 7D+1 0.00000 -0.00000 0.00000 0.00011 -0.00020 106 7D-1 0.00000 -0.00000 -0.00000 -0.00010 0.00012 107 7D+2 0.00007 0.00003 -0.00022 0.00000 -0.00000 108 7D-2 -0.00001 0.00000 -0.00000 -0.00000 0.00000 109 5 H 1S 0.00077 0.00197 -0.00095 -0.00000 0.00000 110 2S 0.00093 0.00276 -0.00127 -0.00000 0.00000 111 3S -0.00041 0.00170 0.00022 -0.00000 0.00000 112 4PX -0.00029 -0.00003 0.00033 0.00000 -0.00000 113 4PY 0.00001 -0.00013 -0.00003 0.00000 -0.00000 114 4PZ 0.00000 -0.00000 0.00000 0.00053 -0.00015 115 6 H 1S -0.00151 -0.00041 0.00151 0.00023 0.00151 116 2S -0.00203 -0.00067 0.00204 -0.00035 0.00244 117 3S -0.00073 -0.00031 0.00089 -0.00198 0.00154 118 4PX 0.00015 -0.00032 -0.00011 0.00001 0.00003 119 4PY 0.00000 -0.00005 0.00005 -0.00005 -0.00015 120 4PZ 0.00019 0.00009 -0.00019 -0.00000 -0.00010 121 7 H 1S -0.00151 -0.00041 0.00151 -0.00023 -0.00151 122 2S -0.00203 -0.00067 0.00204 0.00035 -0.00244 123 3S -0.00073 -0.00031 0.00089 0.00198 -0.00154 124 4PX 0.00015 -0.00032 -0.00011 -0.00001 -0.00003 125 4PY 0.00000 -0.00005 0.00005 0.00005 0.00015 126 4PZ -0.00019 -0.00009 0.00019 -0.00000 -0.00010 127 8 H 1S -0.00059 0.00438 -0.00045 -0.00000 0.00000 128 2S -0.00084 0.00626 -0.00054 -0.00000 0.00000 129 3S -0.00007 0.00199 -0.00035 -0.00000 0.00000 130 4PX 0.00010 0.00025 -0.00017 -0.00000 0.00000 131 4PY -0.00018 0.00043 0.00007 -0.00000 -0.00000 132 4PZ -0.00000 0.00000 -0.00000 0.00010 0.00011 26 27 28 29 30 26 7D+2 0.00040 27 7D-2 -0.00002 0.00058 28 2 C 1S -0.00275 0.00266 0.65922 29 2S -0.00370 0.00343 0.56114 0.49096 30 2PX -0.00165 0.00484 -0.00088 -0.00093 0.09620 31 2PY 0.00354 0.00313 -0.00385 -0.00600 0.00239 32 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 33 3S 0.00812 -0.00750 -0.08570 -0.15098 0.00034 34 3PX -0.00263 0.00697 0.00299 0.00372 0.13729 35 3PY 0.00494 0.00415 -0.00751 -0.00993 0.00036 36 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 37 4S 0.00600 -0.00228 -0.06082 -0.09533 0.00507 38 4PX -0.00083 0.00381 0.00241 0.00363 0.06519 39 4PY 0.00208 0.00165 -0.01071 -0.01527 0.01239 40 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 41 5S -0.00191 -0.00337 -0.01508 -0.02067 0.00642 42 5PX 0.00086 0.00124 0.00164 0.00277 0.00207 43 5PY -0.00002 0.00018 -0.00239 -0.00350 0.00713 44 5PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 45 6D 0 -0.00006 0.00026 0.00123 0.00273 -0.00006 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 0.00042 0.00032 -0.00041 -0.00028 -0.00223 49 6D-2 0.00020 0.00054 0.00035 0.00063 0.00452 50 7D 0 -0.00013 0.00002 -0.00179 -0.00119 0.00168 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 0.00050 0.00048 0.00043 0.00108 -0.00384 54 7D-2 0.00040 0.00081 0.00334 0.00386 0.00344 55 3 O 1S 0.00052 0.00176 0.00299 0.00414 -0.00184 56 2S 0.00081 0.00214 0.00456 0.00629 -0.00293 57 2PX -0.00241 -0.00135 -0.00066 -0.00148 0.00936 58 2PY -0.00217 -0.00477 -0.02333 -0.03673 0.00988 59 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 60 3S -0.00250 -0.00391 -0.00949 -0.01359 0.00902 61 3PX -0.00360 -0.00202 -0.00054 -0.00165 0.01361 62 3PY -0.00315 -0.00696 -0.03624 -0.05533 0.01438 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 4S -0.00074 0.00014 -0.00523 0.00269 0.00496 65 4PX -0.00253 -0.00202 -0.00181 -0.00403 0.00313 66 4PY -0.00227 -0.00426 -0.02612 -0.03547 0.00810 67 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 68 5S -0.00001 0.00116 0.00670 0.00720 0.01121 69 5PX -0.00042 -0.00205 -0.00843 -0.01225 -0.01248 70 5PY -0.00060 0.00037 0.00996 0.01198 0.00355 71 5PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 72 6D 0 0.00007 0.00015 0.00041 0.00081 -0.00013 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 0.00006 0.00017 0.00101 0.00177 -0.00103 76 6D-2 -0.00002 0.00011 -0.00005 -0.00002 0.00187 77 7D 0 0.00009 0.00028 0.00316 0.00354 0.00042 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 0.00006 0.00030 0.00564 0.00703 -0.00337 81 7D-2 -0.00016 0.00034 0.00060 0.00042 0.00746 82 4 O 1S 0.00028 0.00074 -0.00035 -0.00041 0.00298 83 2S 0.00045 0.00108 -0.00052 -0.00065 0.00482 84 2PX 0.00126 0.00101 0.00020 0.00062 0.00252 85 2PY 0.00094 0.00117 0.00907 0.01465 -0.01104 86 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 3S -0.00127 -0.00284 0.00130 0.00183 -0.01601 88 3PX 0.00193 0.00154 0.00018 0.00074 0.00347 89 3PY 0.00129 0.00158 0.01258 0.02053 -0.01590 90 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 4S -0.00054 -0.00245 -0.00099 -0.00248 -0.01313 92 4PX 0.00143 0.00143 0.00222 0.00432 0.00148 93 4PY 0.00162 0.00186 0.01373 0.02139 -0.01571 94 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 5S 0.00058 0.00180 0.00798 0.01202 0.00667 96 5PX 0.00006 -0.00009 -0.00070 -0.00095 -0.00032 97 5PY 0.00083 0.00067 0.00192 0.00440 -0.00717 98 5PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 99 6D 0 0.00003 0.00001 -0.00003 -0.00010 0.00002 100 6D+1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 102 6D+2 -0.00003 -0.00000 0.00023 0.00034 -0.00019 103 6D-2 0.00005 0.00004 0.00002 -0.00003 -0.00003 104 7D 0 0.00012 0.00003 -0.00039 -0.00040 -0.00103 105 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 107 7D+2 -0.00014 -0.00004 0.00064 0.00096 -0.00016 108 7D-2 0.00021 0.00019 -0.00025 -0.00020 -0.00031 109 5 H 1S 0.00253 0.00362 -0.02195 -0.03437 0.06383 110 2S 0.00321 0.00518 -0.03575 -0.05091 0.09276 111 3S 0.00073 0.00264 0.00535 0.00596 0.02373 112 4PX -0.00045 -0.00024 0.00651 0.00850 -0.00617 113 4PY -0.00009 -0.00016 0.00358 0.00450 -0.00579 114 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 6 H 1S -0.00159 0.00002 0.00338 0.00569 0.00626 116 2S -0.00224 0.00002 0.00414 0.00773 0.00974 117 3S -0.00100 -0.00015 0.00241 0.00401 0.00771 118 4PX 0.00010 -0.00026 -0.00076 -0.00124 -0.00310 119 4PY -0.00001 -0.00001 0.00039 0.00040 0.00105 120 4PZ 0.00020 0.00003 -0.00010 -0.00036 -0.00039 121 7 H 1S -0.00159 0.00002 0.00338 0.00569 0.00626 122 2S -0.00224 0.00002 0.00414 0.00773 0.00974 123 3S -0.00100 -0.00015 0.00241 0.00401 0.00771 124 4PX 0.00010 -0.00026 -0.00076 -0.00124 -0.00310 125 4PY -0.00001 -0.00001 0.00039 0.00040 0.00105 126 4PZ -0.00020 -0.00003 0.00010 0.00036 0.00039 127 8 H 1S 0.00041 0.00268 0.00210 0.00350 0.00995 128 2S 0.00067 0.00394 0.00378 0.00559 0.01715 129 3S 0.00047 0.00165 0.00029 0.00101 0.01230 130 4PX 0.00023 0.00007 -0.00051 -0.00090 -0.00267 131 4PY -0.00013 0.00025 0.00047 0.00075 0.00201 132 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 31 32 33 34 35 31 2PY 0.08227 32 2PZ -0.00000 0.06609 33 3S 0.01290 -0.00000 0.46970 34 3PX 0.00145 0.00000 -0.00817 0.19631 35 3PY 0.11181 -0.00000 0.01649 -0.00217 0.15279 36 3PZ -0.00000 0.10076 -0.00000 0.00000 -0.00000 37 4S 0.04820 -0.00000 0.26556 0.00259 0.06166 38 4PX -0.00214 0.00000 -0.01203 0.09260 -0.00344 39 4PY 0.04237 -0.00000 0.03532 0.01644 0.05837 40 4PZ -0.00000 0.08076 -0.00000 0.00000 -0.00000 41 5S -0.02462 0.00000 0.05522 0.01303 -0.03108 42 5PX 0.01127 -0.00000 -0.01132 0.00113 0.01457 43 5PY -0.00116 0.00000 0.00963 0.01035 -0.00187 44 5PZ 0.00000 0.00939 -0.00000 -0.00000 0.00000 45 6D 0 0.00229 0.00000 -0.01003 0.00009 0.00305 46 6D+1 -0.00000 -0.00016 -0.00000 -0.00000 -0.00000 47 6D-1 0.00000 -0.00465 -0.00000 -0.00000 0.00000 48 6D+2 0.00900 -0.00000 -0.00056 -0.00331 0.01204 49 6D-2 0.00296 -0.00000 -0.00244 0.00643 0.00425 50 7D 0 0.00086 0.00000 -0.00146 0.00262 0.00121 51 7D+1 0.00000 -0.00117 0.00000 -0.00000 -0.00000 52 7D-1 0.00000 -0.00656 -0.00000 -0.00000 0.00000 53 7D+2 0.00870 -0.00000 -0.00452 -0.00551 0.01162 54 7D-2 0.00009 -0.00000 -0.00720 0.00499 0.00090 55 3 O 1S 0.01400 -0.00000 -0.00761 -0.00190 0.01539 56 2S 0.02266 -0.00000 -0.01141 -0.00339 0.02495 57 2PX 0.00110 0.00000 0.00995 0.01377 -0.00497 58 2PY -0.08347 0.00000 0.10781 0.01361 -0.11789 59 2PZ 0.00000 0.06747 -0.00000 0.00000 0.00000 60 3S -0.06825 0.00000 0.02375 0.01184 -0.07527 61 3PX 0.00196 0.00000 0.01350 0.02004 -0.00668 62 3PY -0.12260 0.00000 0.15666 0.01977 -0.17286 63 3PZ 0.00000 0.10014 -0.00000 0.00000 0.00000 64 4S -0.01262 0.00000 -0.05253 0.00669 0.00007 65 4PX -0.00406 0.00000 0.02051 0.00492 -0.01280 66 4PY -0.07406 0.00000 0.08703 0.01166 -0.10520 67 4PZ 0.00000 0.07896 -0.00000 0.00000 0.00000 68 5S 0.00357 -0.00000 -0.00797 0.01708 0.00306 69 5PX -0.01533 0.00000 0.03522 -0.01637 -0.02257 70 5PY -0.00082 0.00000 -0.02249 0.00513 -0.00096 71 5PZ 0.00000 -0.00166 0.00000 -0.00000 0.00000 72 6D 0 0.00185 -0.00000 -0.00293 -0.00019 0.00263 73 6D+1 0.00000 -0.00040 -0.00000 -0.00000 0.00000 74 6D-1 0.00000 0.00268 -0.00000 -0.00000 0.00000 75 6D+2 0.00371 -0.00000 -0.00567 -0.00148 0.00501 76 6D-2 0.00014 0.00000 -0.00013 0.00261 0.00006 77 7D 0 0.00206 -0.00000 -0.00563 0.00063 0.00297 78 7D+1 0.00000 -0.00425 -0.00000 -0.00000 0.00000 79 7D-1 0.00000 0.01307 -0.00000 0.00000 0.00000 80 7D+2 0.00739 -0.00000 -0.01446 -0.00503 0.00983 81 7D-2 -0.00161 0.00000 0.00032 0.01029 -0.00299 82 4 O 1S -0.00000 0.00000 -0.00024 0.00357 0.00207 83 2S 0.00011 -0.00000 -0.00003 0.00613 0.00297 84 2PX -0.00850 -0.00000 -0.00589 0.00159 -0.01121 85 2PY 0.01725 -0.00000 -0.04848 -0.02027 0.02284 86 2PZ -0.00000 -0.05615 0.00000 -0.00000 -0.00000 87 3S -0.00069 0.00000 -0.00103 -0.02174 -0.00762 88 3PX -0.01227 -0.00000 -0.00819 0.00203 -0.01606 89 3PY 0.02400 -0.00000 -0.06875 -0.02917 0.03164 90 3PZ -0.00000 -0.08028 0.00000 -0.00000 -0.00000 91 4S -0.01086 0.00000 0.01291 -0.01793 -0.02071 92 4PX -0.00274 -0.00000 -0.01929 -0.00050 -0.00265 93 4PY 0.02543 -0.00000 -0.06800 -0.02849 0.03412 94 4PZ -0.00000 -0.08238 0.00000 -0.00000 -0.00000 95 5S 0.01093 -0.00000 -0.03675 0.00776 0.01763 96 5PX -0.00215 -0.00000 0.00255 -0.00048 -0.00360 97 5PY 0.01019 -0.00000 -0.01968 -0.01204 0.01463 98 5PZ -0.00000 -0.02487 0.00000 0.00000 -0.00000 99 6D 0 -0.00032 0.00000 0.00046 0.00002 -0.00046 100 6D+1 -0.00000 -0.00010 -0.00000 -0.00000 -0.00000 101 6D-1 0.00000 0.00011 -0.00000 -0.00000 0.00000 102 6D+2 0.00077 -0.00000 -0.00091 -0.00021 0.00113 103 6D-2 0.00003 -0.00000 0.00029 -0.00001 0.00010 104 7D 0 -0.00039 0.00000 0.00047 -0.00145 -0.00044 105 7D+1 -0.00000 0.00030 0.00000 0.00000 -0.00000 106 7D-1 0.00000 -0.00052 -0.00000 -0.00000 0.00000 107 7D+2 0.00179 -0.00000 -0.00229 0.00007 0.00261 108 7D-2 0.00162 -0.00000 -0.00005 -0.00029 0.00251 109 5 H 1S 0.04276 -0.00000 0.09188 0.08838 0.05690 110 2S 0.06125 -0.00000 0.12065 0.12878 0.08157 111 3S 0.01718 -0.00000 -0.01136 0.03340 0.02372 112 4PX -0.00692 0.00000 -0.01794 -0.00839 -0.00923 113 4PY -0.00096 0.00000 -0.00885 -0.00801 -0.00111 114 4PZ 0.00000 0.00483 0.00000 0.00000 0.00000 115 6 H 1S -0.00367 0.00244 -0.01796 0.00938 -0.00480 116 2S -0.00457 -0.00266 -0.02630 0.01457 -0.00609 117 3S -0.00784 -0.01734 -0.01136 0.01142 -0.01074 118 4PX 0.00123 0.00005 0.00358 -0.00453 0.00175 119 4PY -0.00064 -0.00049 -0.00038 0.00150 -0.00084 120 4PZ 0.00028 -0.00002 0.00179 -0.00059 0.00034 121 7 H 1S -0.00367 -0.00244 -0.01796 0.00938 -0.00480 122 2S -0.00457 0.00266 -0.02630 0.01457 -0.00609 123 3S -0.00784 0.01734 -0.01136 0.01142 -0.01074 124 4PX 0.00123 -0.00005 0.00358 -0.00453 0.00175 125 4PY -0.00064 0.00049 -0.00038 0.00150 -0.00084 126 4PZ -0.00028 -0.00002 -0.00179 0.00059 -0.00034 127 8 H 1S -0.00285 0.00000 -0.01209 0.01480 -0.00485 128 2S -0.00459 0.00000 -0.01708 0.02519 -0.00749 129 3S 0.00349 -0.00000 -0.00502 0.01781 0.00432 130 4PX 0.00036 -0.00000 0.00255 -0.00387 0.00058 131 4PY -0.00129 0.00000 -0.00229 0.00299 -0.00192 132 4PZ 0.00000 0.00096 0.00000 -0.00000 0.00000 36 37 38 39 40 36 3PZ 0.15365 37 4S -0.00000 0.19886 38 4PX 0.00000 -0.01428 0.05355 39 4PY -0.00000 0.03505 0.00495 0.03081 40 4PZ 0.12344 -0.00000 0.00000 -0.00000 0.10640 41 5S 0.00000 0.02843 -0.02252 0.01421 -0.00000 42 5PX -0.00000 -0.00862 0.01161 -0.00175 0.00000 43 5PY 0.00000 0.00969 0.00188 0.00170 -0.00000 44 5PZ 0.01425 -0.00000 0.00000 -0.00000 0.01153 45 6D 0 0.00000 -0.00327 -0.00018 0.00033 0.00000 46 6D+1 -0.00029 -0.00000 -0.00000 -0.00000 -0.00005 47 6D-1 -0.00699 0.00000 -0.00000 0.00000 -0.00486 48 6D+2 -0.00000 0.00572 -0.00239 0.00413 -0.00000 49 6D-2 -0.00000 -0.00018 0.00478 0.00190 -0.00000 50 7D 0 0.00000 0.00011 -0.00013 0.00150 0.00000 51 7D+1 -0.00191 0.00000 -0.00000 -0.00000 -0.00158 52 7D-1 -0.00980 0.00000 -0.00000 0.00000 -0.00709 53 7D+2 -0.00000 0.00412 -0.00313 0.00408 -0.00000 54 7D-2 -0.00000 -0.00537 0.00734 0.00047 -0.00000 55 3 O 1S -0.00000 0.04102 -0.01059 -0.00732 0.00000 56 2S -0.00000 0.05725 -0.01433 -0.00881 0.00000 57 2PX 0.00000 0.01985 -0.02276 0.00651 0.00000 58 2PY 0.00000 0.03746 0.00200 -0.04464 0.00000 59 2PZ 0.10132 -0.00000 0.00000 0.00000 0.06504 60 3S 0.00000 -0.14472 0.03369 0.01546 -0.00000 61 3PX 0.00000 0.02678 -0.03382 0.01076 0.00000 62 3PY 0.00000 0.05277 0.00365 -0.06536 0.00000 63 3PZ 0.15036 -0.00000 0.00000 0.00000 0.09647 64 4S -0.00000 -0.14187 0.03069 0.03388 -0.00000 65 4PX 0.00000 0.02976 -0.03214 0.00368 0.00000 66 4PY 0.00000 0.03224 -0.00165 -0.03946 0.00000 67 4PZ 0.11853 -0.00000 0.00000 0.00000 0.07578 68 5S -0.00000 0.01530 0.00654 -0.00245 0.00000 69 5PX 0.00000 0.03274 -0.01921 -0.00789 0.00000 70 5PY 0.00000 -0.01838 0.00303 -0.00031 0.00000 71 5PZ -0.00263 0.00000 -0.00000 0.00000 -0.00154 72 6D 0 -0.00000 -0.00075 0.00028 0.00066 -0.00000 73 6D+1 -0.00064 -0.00000 -0.00000 0.00000 -0.00102 74 6D-1 0.00408 -0.00000 0.00000 0.00000 0.00328 75 6D+2 -0.00000 -0.00181 -0.00085 0.00154 -0.00000 76 6D-2 0.00000 0.00033 0.00127 -0.00005 0.00000 77 7D 0 -0.00000 -0.00177 0.00135 0.00012 -0.00000 78 7D+1 -0.00666 -0.00000 -0.00000 0.00000 -0.00831 79 7D-1 0.01987 -0.00000 0.00000 0.00000 0.01592 80 7D+2 -0.00000 -0.00711 -0.00229 0.00247 -0.00000 81 7D-2 0.00000 0.00030 0.00530 -0.00173 0.00000 82 4 O 1S -0.00000 0.00451 0.00027 0.00217 -0.00000 83 2S -0.00000 0.00451 0.00109 0.00377 -0.00000 84 2PX -0.00000 -0.01231 0.02425 -0.01904 -0.00000 85 2PY -0.00000 -0.05009 0.00721 -0.00259 0.00000 86 2PZ -0.08714 0.00000 -0.00000 0.00000 -0.09793 87 3S 0.00000 -0.00238 -0.00664 -0.01288 0.00000 88 3PX -0.00000 -0.01681 0.03567 -0.02804 -0.00000 89 3PY -0.00000 -0.07194 0.00989 -0.00393 0.00000 90 3PZ -0.12462 0.00000 -0.00000 0.00000 -0.14064 91 4S 0.00000 0.00867 0.00217 -0.02300 0.00000 92 4PX -0.00000 -0.02567 0.02661 -0.01609 -0.00000 93 4PY -0.00000 -0.06739 0.01256 -0.00433 0.00000 94 4PZ -0.12752 0.00000 -0.00000 0.00000 -0.13850 95 5S -0.00000 -0.03952 0.01863 0.00436 -0.00000 96 5PX -0.00000 0.00360 0.00102 -0.00365 -0.00000 97 5PY -0.00000 -0.01957 0.00356 0.00052 -0.00000 98 5PZ -0.03831 0.00000 -0.00000 -0.00000 -0.03997 99 6D 0 0.00000 0.00058 0.00031 -0.00049 0.00000 100 6D+1 -0.00012 -0.00000 -0.00000 0.00000 0.00040 101 6D-1 0.00015 -0.00000 -0.00000 0.00000 -0.00009 102 6D+2 -0.00000 -0.00066 -0.00054 0.00092 -0.00000 103 6D-2 -0.00000 0.00081 0.00034 -0.00025 0.00000 104 7D 0 0.00000 0.00146 0.00015 -0.00113 0.00000 105 7D+1 0.00062 -0.00000 0.00000 -0.00000 0.00288 106 7D-1 -0.00087 -0.00000 -0.00000 0.00000 -0.00197 107 7D+2 -0.00000 -0.00104 -0.00190 0.00271 -0.00000 108 7D-2 -0.00000 0.00280 0.00062 0.00037 -0.00000 109 5 H 1S -0.00000 0.07109 0.04387 0.03491 -0.00000 110 2S -0.00000 0.09485 0.06272 0.05013 -0.00000 111 3S -0.00000 -0.00179 0.02267 0.01088 -0.00000 112 4PX 0.00000 -0.01379 -0.00320 -0.00549 0.00000 113 4PY 0.00000 -0.00511 -0.00399 -0.00152 0.00000 114 4PZ 0.00736 0.00000 0.00000 0.00000 0.00607 115 6 H 1S 0.00436 -0.01617 0.00545 -0.00680 -0.00422 116 2S -0.00311 -0.02161 0.00740 -0.00921 -0.01415 117 3S -0.02616 -0.01045 0.00498 -0.00546 -0.02728 118 4PX 0.00011 0.00232 -0.00255 0.00023 0.00000 119 4PY -0.00083 -0.00056 0.00083 -0.00021 0.00008 120 4PZ -0.00008 0.00180 -0.00038 0.00087 0.00038 121 7 H 1S -0.00436 -0.01617 0.00545 -0.00680 0.00422 122 2S 0.00311 -0.02161 0.00740 -0.00921 0.01415 123 3S 0.02616 -0.01045 0.00498 -0.00546 0.02728 124 4PX -0.00011 0.00232 -0.00255 0.00023 -0.00000 125 4PY 0.00083 -0.00056 0.00083 -0.00021 -0.00008 126 4PZ -0.00008 -0.00180 0.00038 -0.00087 0.00038 127 8 H 1S 0.00000 -0.00551 0.01160 0.00456 -0.00000 128 2S 0.00000 -0.00895 0.01954 0.00663 -0.00000 129 3S -0.00000 0.00187 0.01026 0.00584 -0.00000 130 4PX -0.00000 0.00123 -0.00106 0.00060 -0.00000 131 4PY 0.00000 -0.00163 0.00161 -0.00027 0.00000 132 4PZ 0.00152 0.00000 -0.00000 0.00000 0.00055 41 42 43 44 45 41 5S 0.21226 42 5PX -0.07628 0.02923 43 5PY 0.01676 -0.00671 0.00367 44 5PZ -0.00000 0.00000 -0.00000 0.00151 45 6D 0 -0.00124 0.00016 -0.00006 0.00000 0.00035 46 6D+1 0.00000 -0.00000 -0.00000 0.00011 0.00000 47 6D-1 -0.00000 0.00000 -0.00000 -0.00084 -0.00000 48 6D+2 -0.00368 0.00122 -0.00014 0.00000 0.00035 49 6D-2 -0.00326 0.00132 0.00007 -0.00000 0.00017 50 7D 0 0.00865 -0.00295 0.00043 0.00000 0.00009 51 7D+1 0.00000 -0.00000 0.00000 0.00014 0.00000 52 7D-1 -0.00000 -0.00000 0.00000 -0.00138 -0.00000 53 7D+2 -0.00535 0.00149 -0.00006 0.00000 0.00046 54 7D-2 -0.00850 0.00286 -0.00021 -0.00000 0.00020 55 3 O 1S -0.03480 0.00668 0.00231 -0.00000 0.00179 56 2S -0.04893 0.00953 0.00335 -0.00000 0.00271 57 2PX 0.04879 -0.01511 0.00467 -0.00000 -0.00031 58 2PY 0.01148 -0.00659 0.00562 -0.00000 -0.00444 59 2PZ -0.00000 0.00000 -0.00000 0.01174 0.00000 60 3S 0.12180 -0.02468 -0.00837 0.00000 -0.00735 61 3PX 0.07444 -0.02275 0.00665 -0.00000 -0.00050 62 3PY 0.01670 -0.00955 0.00813 -0.00000 -0.00653 63 3PZ -0.00000 0.00000 -0.00000 0.01743 0.00000 64 4S 0.09050 -0.01842 -0.00628 0.00000 -0.00311 65 4PX 0.06016 -0.02100 0.00801 -0.00000 -0.00052 66 4PY 0.01876 -0.00917 0.00502 -0.00000 -0.00361 67 4PZ -0.00000 0.00000 -0.00000 0.01378 0.00000 68 5S -0.00370 -0.00118 0.00116 -0.00000 0.00111 69 5PX 0.04450 -0.01963 0.00399 -0.00000 -0.00034 70 5PY -0.00403 0.00228 -0.00072 0.00000 0.00017 71 5PZ 0.00000 -0.00000 0.00000 0.00010 0.00000 72 6D 0 -0.00145 0.00041 -0.00003 -0.00000 0.00013 73 6D+1 0.00000 -0.00000 -0.00000 -0.00003 0.00000 74 6D-1 -0.00000 0.00000 -0.00000 0.00041 0.00000 75 6D+2 -0.00255 0.00109 -0.00049 0.00000 0.00021 76 6D-2 -0.00158 0.00057 0.00021 -0.00000 0.00001 77 7D 0 -0.00394 0.00105 0.00002 -0.00000 0.00022 78 7D+1 0.00000 -0.00000 -0.00000 -0.00049 0.00000 79 7D-1 -0.00000 0.00000 -0.00000 0.00198 0.00000 80 7D+2 -0.01127 0.00481 -0.00173 0.00000 0.00039 81 7D-2 -0.01105 0.00423 0.00043 0.00000 -0.00011 82 4 O 1S 0.02097 -0.01197 0.01053 -0.00000 0.00010 83 2S 0.02970 -0.01664 0.01461 -0.00000 0.00007 84 2PX -0.10461 0.03749 -0.00762 0.00000 -0.00016 85 2PY -0.13287 0.05414 -0.01107 0.00000 -0.00012 86 2PZ 0.00000 -0.00000 0.00000 -0.00728 0.00000 87 3S -0.07519 0.04028 -0.03529 0.00000 0.00023 88 3PX -0.15296 0.05437 -0.01062 0.00000 -0.00019 89 3PY -0.18986 0.07757 -0.01600 0.00000 -0.00023 90 3PZ 0.00000 -0.00000 0.00000 -0.01037 0.00000 91 4S -0.09245 0.04235 -0.03103 0.00000 0.00006 92 4PX -0.11949 0.04422 -0.00938 0.00000 -0.00008 93 4PY -0.18928 0.07631 -0.01614 0.00000 0.00008 94 4PZ 0.00000 -0.00000 0.00000 -0.01096 -0.00000 95 5S -0.05143 0.02137 -0.00374 0.00000 0.00012 96 5PX -0.01141 0.00406 -0.00150 0.00000 0.00004 97 5PY -0.05339 0.02108 -0.00418 0.00000 0.00011 98 5PZ 0.00000 -0.00000 0.00000 -0.00358 -0.00000 99 6D 0 -0.00122 0.00030 0.00001 -0.00000 0.00001 100 6D+1 0.00000 0.00000 -0.00000 -0.00005 -0.00000 101 6D-1 0.00000 -0.00000 0.00000 0.00003 0.00000 102 6D+2 0.00277 -0.00087 0.00001 -0.00000 0.00002 103 6D-2 -0.00038 -0.00008 0.00008 -0.00000 0.00004 104 7D 0 -0.00238 0.00030 0.00015 -0.00000 0.00006 105 7D+1 -0.00000 0.00000 -0.00000 -0.00011 -0.00000 106 7D-1 0.00000 -0.00000 0.00000 -0.00000 0.00000 107 7D+2 0.01139 -0.00382 0.00022 -0.00000 0.00008 108 7D-2 0.00118 -0.00121 0.00055 -0.00000 0.00019 109 5 H 1S -0.00702 0.00829 0.00489 -0.00000 -0.00085 110 2S -0.00445 0.01016 0.00664 -0.00000 -0.00101 111 3S -0.02359 0.01005 -0.00059 0.00000 0.00064 112 4PX -0.00256 0.00016 -0.00080 0.00000 0.00017 113 4PY 0.00075 -0.00084 -0.00034 0.00000 0.00020 114 4PZ -0.00000 0.00000 0.00000 0.00070 0.00000 115 6 H 1S -0.01763 0.00421 -0.00298 -0.00227 -0.00013 116 2S -0.02041 0.00453 -0.00366 -0.00428 -0.00005 117 3S 0.00482 -0.00189 0.00012 -0.00394 -0.00003 118 4PX 0.00056 -0.00018 -0.00020 -0.00007 -0.00005 119 4PY 0.00186 -0.00044 0.00023 0.00022 0.00001 120 4PZ 0.00276 -0.00065 0.00048 0.00017 0.00003 121 7 H 1S -0.01763 0.00421 -0.00298 0.00227 -0.00013 122 2S -0.02041 0.00453 -0.00366 0.00428 -0.00005 123 3S 0.00482 -0.00189 0.00012 0.00394 -0.00003 124 4PX 0.00056 -0.00018 -0.00020 0.00007 -0.00005 125 4PY 0.00186 -0.00044 0.00023 -0.00022 0.00001 126 4PZ -0.00276 0.00065 -0.00048 0.00017 -0.00003 127 8 H 1S -0.02956 0.00856 -0.00010 0.00000 0.00004 128 2S -0.04213 0.01276 0.00010 -0.00000 0.00003 129 3S -0.00374 0.00157 0.00135 -0.00000 0.00034 130 4PX -0.00399 0.00121 -0.00032 0.00000 -0.00007 131 4PY -0.00299 0.00073 -0.00006 0.00000 -0.00002 132 4PZ 0.00000 -0.00000 0.00000 -0.00007 -0.00000 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 -0.00011 0.00061 48 6D+2 -0.00000 0.00000 0.00128 49 6D-2 -0.00000 0.00000 0.00019 0.00096 50 7D 0 0.00000 -0.00000 0.00002 -0.00001 0.00054 51 7D+1 0.00022 -0.00025 0.00000 -0.00000 0.00000 52 7D-1 -0.00030 0.00104 0.00000 0.00000 -0.00000 53 7D+2 -0.00000 0.00000 0.00159 0.00034 -0.00012 54 7D-2 -0.00000 0.00000 0.00001 0.00187 -0.00039 55 3 O 1S 0.00000 0.00000 0.00338 0.00022 -0.00209 56 2S 0.00000 0.00000 0.00532 0.00027 -0.00238 57 2PX 0.00000 -0.00000 0.00202 -0.00833 0.00246 58 2PY 0.00000 -0.00000 -0.00891 -0.00487 -0.00249 59 2PZ 0.00120 -0.00903 0.00000 0.00000 0.00000 60 3S -0.00000 -0.00000 -0.01550 -0.00051 0.00376 61 3PX 0.00000 -0.00000 0.00298 -0.01241 0.00379 62 3PY 0.00000 -0.00000 -0.01319 -0.00698 -0.00367 63 3PZ 0.00177 -0.01342 0.00000 0.00000 0.00000 64 4S -0.00000 -0.00000 -0.00797 0.00334 0.00376 65 4PX 0.00000 -0.00000 0.00216 -0.01005 0.00218 66 4PY 0.00000 -0.00000 -0.00747 -0.00479 -0.00152 67 4PZ 0.00143 -0.01065 0.00000 0.00000 0.00000 68 5S -0.00000 0.00000 0.00101 0.00212 0.00057 69 5PX 0.00000 -0.00000 -0.00037 -0.00200 0.00153 70 5PY 0.00000 -0.00000 -0.00037 -0.00042 -0.00006 71 5PZ 0.00026 -0.00018 0.00000 0.00000 0.00000 72 6D 0 -0.00000 0.00000 0.00019 0.00020 -0.00002 73 6D+1 0.00002 -0.00007 0.00000 0.00000 0.00000 74 6D-1 0.00001 -0.00022 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00048 0.00000 0.00004 76 6D-2 -0.00000 -0.00000 -0.00002 0.00004 -0.00008 77 7D 0 -0.00000 0.00000 0.00017 0.00046 -0.00014 78 7D+1 0.00006 -0.00018 0.00000 0.00000 0.00000 79 7D-1 0.00006 -0.00105 0.00000 -0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00101 -0.00034 -0.00022 81 7D-2 0.00000 -0.00000 -0.00024 -0.00010 -0.00059 82 4 O 1S -0.00000 -0.00000 -0.00028 0.00011 -0.00147 83 2S -0.00000 -0.00000 -0.00044 0.00011 -0.00179 84 2PX -0.00000 -0.00000 -0.00178 0.00427 -0.00485 85 2PY 0.00000 0.00000 0.00165 -0.00186 -0.00631 86 2PZ 0.00027 -0.00017 -0.00000 0.00000 0.00000 87 3S 0.00000 0.00000 0.00142 -0.00005 0.00332 88 3PX -0.00000 -0.00000 -0.00258 0.00647 -0.00718 89 3PY 0.00000 0.00000 0.00231 -0.00287 -0.00901 90 3PZ 0.00040 -0.00035 -0.00000 0.00000 0.00000 91 4S -0.00000 0.00000 0.00000 0.00213 0.00131 92 4PX -0.00000 -0.00000 -0.00146 0.00437 -0.00545 93 4PY 0.00000 0.00000 0.00235 -0.00129 -0.00876 94 4PZ 0.00025 0.00065 -0.00000 0.00000 0.00000 95 5S -0.00000 -0.00000 -0.00038 0.00206 -0.00241 96 5PX -0.00000 0.00000 -0.00005 0.00033 -0.00031 97 5PY -0.00000 0.00000 0.00083 0.00028 -0.00261 98 5PZ -0.00010 0.00069 -0.00000 -0.00000 0.00000 99 6D 0 -0.00000 0.00000 -0.00003 0.00011 -0.00007 100 6D+1 -0.00002 0.00010 -0.00000 -0.00000 -0.00000 101 6D-1 0.00001 -0.00005 0.00000 -0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00008 -0.00007 0.00017 103 6D-2 -0.00000 0.00000 -0.00000 0.00020 -0.00002 104 7D 0 -0.00000 0.00000 -0.00002 0.00032 -0.00017 105 7D+1 -0.00008 0.00043 -0.00000 -0.00000 -0.00000 106 7D-1 0.00004 -0.00019 0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00020 -0.00022 0.00068 108 7D-2 -0.00000 0.00000 0.00017 0.00068 0.00005 109 5 H 1S -0.00000 0.00000 0.00261 0.00518 0.00076 110 2S -0.00000 0.00000 0.00354 0.00715 0.00163 111 3S -0.00000 0.00000 0.00131 0.00361 -0.00027 112 4PX 0.00000 -0.00000 -0.00052 -0.00041 -0.00024 113 4PY 0.00000 0.00000 0.00011 -0.00025 -0.00001 114 4PZ -0.00000 -0.00033 -0.00000 -0.00000 0.00000 115 6 H 1S -0.00201 0.00174 -0.00154 -0.00109 -0.00018 116 2S -0.00300 0.00304 -0.00214 -0.00151 -0.00001 117 3S -0.00112 0.00207 -0.00167 -0.00035 0.00040 118 4PX -0.00006 0.00007 0.00009 -0.00027 -0.00000 119 4PY 0.00022 -0.00019 -0.00018 0.00011 0.00007 120 4PZ 0.00013 -0.00013 0.00018 0.00020 0.00004 121 7 H 1S 0.00201 -0.00174 -0.00154 -0.00109 -0.00018 122 2S 0.00300 -0.00304 -0.00214 -0.00151 -0.00001 123 3S 0.00112 -0.00207 -0.00167 -0.00035 0.00040 124 4PX 0.00006 -0.00007 0.00009 -0.00027 -0.00000 125 4PY -0.00022 0.00019 -0.00018 0.00011 0.00007 126 4PZ 0.00013 -0.00013 -0.00018 -0.00020 -0.00004 127 8 H 1S -0.00000 0.00000 0.00253 0.00205 -0.00155 128 2S -0.00000 0.00000 0.00331 0.00334 -0.00223 129 3S -0.00000 0.00000 0.00126 0.00202 -0.00005 130 4PX -0.00000 0.00000 0.00038 0.00011 -0.00028 131 4PY -0.00000 0.00000 0.00007 0.00005 -0.00013 132 4PZ -0.00017 0.00008 -0.00000 0.00000 -0.00000 51 52 53 54 55 51 7D+1 0.00055 52 7D-1 -0.00068 0.00193 53 7D+2 -0.00000 0.00000 0.00254 54 7D-2 -0.00000 0.00000 0.00089 0.00488 55 3 O 1S 0.00000 0.00000 0.00483 -0.00134 0.63989 56 2S 0.00000 0.00000 0.00708 -0.00191 0.56936 57 2PX 0.00000 -0.00000 0.00163 -0.02133 0.00875 58 2PY 0.00000 -0.00000 -0.01020 -0.00613 0.00839 59 2PZ 0.00305 -0.01467 0.00000 0.00000 -0.00000 60 3S -0.00000 -0.00000 -0.01883 0.00474 -0.13708 61 3PX 0.00000 -0.00000 0.00242 -0.03172 0.00862 62 3PY 0.00000 -0.00000 -0.01511 -0.00856 0.00964 63 3PZ 0.00453 -0.02178 0.00000 0.00000 -0.00000 64 4S -0.00000 -0.00000 -0.00935 0.01027 -0.13904 65 4PX 0.00000 -0.00000 0.00224 -0.02432 0.01132 66 4PY 0.00000 -0.00000 -0.00836 -0.00662 0.00607 67 4PZ 0.00366 -0.01732 0.00000 0.00000 -0.00000 68 5S -0.00000 0.00000 0.00148 0.00360 0.02677 69 5PX 0.00000 0.00000 -0.00010 -0.00340 0.01598 70 5PY 0.00000 -0.00000 -0.00057 -0.00115 -0.00678 71 5PZ 0.00060 -0.00064 0.00000 0.00000 0.00000 72 6D 0 -0.00000 0.00000 0.00023 0.00036 0.00013 73 6D+1 0.00008 -0.00012 0.00000 0.00000 -0.00000 74 6D-1 0.00000 -0.00034 0.00000 -0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00055 -0.00020 0.00034 76 6D-2 0.00000 -0.00000 -0.00006 -0.00005 0.00041 77 7D 0 -0.00000 0.00000 0.00019 0.00091 0.00194 78 7D+1 0.00037 -0.00031 0.00000 0.00000 -0.00000 79 7D-1 -0.00002 -0.00161 0.00000 -0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00118 -0.00102 0.00024 81 7D-2 0.00000 -0.00000 -0.00032 -0.00051 0.00259 82 4 O 1S -0.00000 -0.00000 0.00078 0.00091 -0.00136 83 2S -0.00000 -0.00000 0.00081 0.00118 -0.00237 84 2PX -0.00000 -0.00000 -0.00199 0.01127 0.01000 85 2PY 0.00000 -0.00000 0.00197 -0.00310 -0.00679 86 2PZ 0.00310 -0.00030 -0.00000 0.00000 0.00000 87 3S 0.00000 0.00000 -0.00073 -0.00237 0.00932 88 3PX -0.00000 -0.00000 -0.00282 0.01704 0.01515 89 3PY 0.00000 -0.00000 0.00273 -0.00489 -0.00985 90 3PZ 0.00451 -0.00060 -0.00000 0.00000 0.00000 91 4S -0.00000 -0.00000 -0.00190 0.00385 0.02143 92 4PX -0.00000 -0.00000 -0.00165 0.01143 0.00320 93 4PY -0.00000 -0.00000 0.00280 -0.00142 -0.00628 94 4PZ 0.00391 0.00101 -0.00000 0.00000 0.00000 95 5S -0.00000 -0.00000 -0.00069 0.00454 -0.02270 96 5PX -0.00000 0.00000 -0.00005 0.00087 0.00736 97 5PY -0.00000 -0.00000 0.00107 0.00121 -0.00441 98 5PZ 0.00066 0.00125 -0.00000 -0.00000 0.00000 99 6D 0 -0.00000 0.00000 -0.00002 0.00028 0.00056 100 6D+1 -0.00007 0.00017 -0.00000 -0.00000 -0.00000 101 6D-1 0.00003 -0.00008 0.00000 -0.00000 -0.00000 102 6D+2 0.00000 0.00000 0.00007 -0.00022 -0.00081 103 6D-2 -0.00000 -0.00000 0.00002 0.00047 0.00063 104 7D 0 -0.00000 0.00000 0.00004 0.00088 0.00172 105 7D+1 -0.00034 0.00070 -0.00000 -0.00000 -0.00000 106 7D-1 0.00017 -0.00032 0.00000 -0.00000 -0.00000 107 7D+2 0.00000 0.00000 0.00018 -0.00077 -0.00223 108 7D-2 -0.00000 0.00000 0.00028 0.00152 0.00169 109 5 H 1S -0.00000 0.00000 0.00124 0.00453 0.00151 110 2S -0.00000 0.00000 0.00116 0.00534 -0.00049 111 3S -0.00000 0.00000 0.00191 0.00630 0.00119 112 4PX -0.00000 -0.00000 -0.00022 0.00011 -0.00043 113 4PY 0.00000 0.00000 0.00032 -0.00007 0.00091 114 4PZ -0.00007 -0.00048 -0.00000 -0.00000 0.00000 115 6 H 1S -0.00431 0.00546 -0.00409 -0.00420 -0.00170 116 2S -0.00633 0.00878 -0.00582 -0.00615 -0.00084 117 3S -0.00205 0.00468 -0.00314 -0.00171 -0.00196 118 4PX -0.00013 0.00018 -0.00014 -0.00069 0.00009 119 4PY 0.00048 -0.00059 -0.00030 0.00017 -0.00044 120 4PZ 0.00028 -0.00038 0.00054 0.00069 0.00018 121 7 H 1S 0.00431 -0.00546 -0.00409 -0.00420 -0.00170 122 2S 0.00633 -0.00878 -0.00582 -0.00615 -0.00084 123 3S 0.00205 -0.00468 -0.00314 -0.00171 -0.00196 124 4PX 0.00013 -0.00018 -0.00014 -0.00069 0.00009 125 4PY -0.00048 0.00059 -0.00030 0.00017 -0.00044 126 4PZ 0.00028 -0.00038 -0.00054 -0.00069 -0.00018 127 8 H 1S -0.00000 0.00000 0.00853 0.00869 0.00203 128 2S -0.00000 0.00000 0.01178 0.01318 0.00190 129 3S -0.00000 0.00000 0.00366 0.00531 0.00243 130 4PX -0.00000 0.00000 0.00102 0.00088 -0.00011 131 4PY -0.00000 0.00000 0.00049 0.00039 0.00004 132 4PZ -0.00036 0.00036 -0.00000 0.00000 0.00000 56 57 58 59 60 56 2S 0.52403 57 2PX 0.01340 0.14326 58 2PY 0.01303 0.02428 0.14438 59 2PZ -0.00000 0.00000 -0.00000 0.13776 60 3S -0.23249 -0.03764 -0.03819 0.00000 0.73114 61 3PX 0.01436 0.21380 0.03326 0.00000 -0.04448 62 3PY 0.01584 0.03250 0.21026 -0.00000 -0.04971 63 3PZ -0.00000 0.00000 -0.00000 0.20462 0.00000 64 4S -0.21221 -0.06073 -0.10752 0.00000 0.59342 65 4PX 0.01922 0.16189 0.03832 0.00000 -0.06007 66 4PY 0.01215 0.03191 0.12689 -0.00000 -0.04531 67 4PZ -0.00000 0.00000 -0.00000 0.16253 0.00000 68 5S 0.03625 -0.01582 0.00381 -0.00000 -0.08512 69 5PX 0.02306 0.01572 0.03163 -0.00000 -0.06035 70 5PY -0.00938 0.00828 -0.00584 0.00000 0.02328 71 5PZ 0.00000 -0.00000 0.00000 0.00155 -0.00000 72 6D 0 0.00040 -0.00213 -0.00294 -0.00000 -0.00177 73 6D+1 -0.00000 -0.00000 -0.00000 0.00126 0.00000 74 6D-1 0.00000 0.00000 -0.00000 0.00309 -0.00000 75 6D+2 0.00059 0.00191 -0.00551 0.00000 -0.00188 76 6D-2 0.00076 0.00064 0.00089 -0.00000 -0.00256 77 7D 0 0.00252 -0.00593 -0.00345 -0.00000 -0.00525 78 7D+1 -0.00000 -0.00000 -0.00000 0.00450 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.01501 -0.00000 80 7D+2 0.00039 0.00802 -0.01099 0.00000 -0.00109 81 7D-2 0.00393 0.00550 0.00745 -0.00000 -0.01070 82 4 O 1S -0.00241 -0.00335 -0.00005 0.00000 0.00975 83 2S -0.00415 -0.00519 -0.00024 0.00000 0.01665 84 2PX 0.01609 -0.07732 0.01862 -0.00000 -0.04823 85 2PY -0.01103 0.02214 -0.01791 0.00000 0.03414 86 2PZ 0.00000 -0.00000 0.00000 0.02071 -0.00000 87 3S 0.01605 0.01286 0.00215 -0.00000 -0.06149 88 3PX 0.02462 -0.11684 0.02734 -0.00000 -0.07451 89 3PY -0.01616 0.03449 -0.02452 0.00000 0.05047 90 3PZ 0.00000 -0.00000 0.00000 0.03149 -0.00000 91 4S 0.03351 -0.03126 0.02351 -0.00000 -0.10537 92 4PX 0.00605 -0.07750 0.00595 -0.00000 -0.02117 93 4PY -0.01077 0.01150 -0.02800 0.00000 0.03547 94 4PZ 0.00000 -0.00000 0.00000 0.01451 -0.00000 95 5S -0.03094 -0.02792 -0.02914 0.00000 0.07444 96 5PX 0.00982 -0.00568 0.00661 -0.00000 -0.02287 97 5PY -0.00640 -0.00815 -0.01458 0.00000 0.01722 98 5PZ 0.00000 0.00000 0.00000 -0.00341 -0.00000 99 6D 0 0.00095 -0.00192 0.00085 -0.00000 -0.00298 100 6D+1 -0.00000 0.00000 0.00000 -0.00176 0.00000 101 6D-1 -0.00000 0.00000 -0.00000 0.00085 0.00000 102 6D+2 -0.00134 0.00162 -0.00203 0.00000 0.00415 103 6D-2 0.00103 -0.00315 0.00005 0.00000 -0.00311 104 7D 0 0.00274 -0.00640 0.00108 -0.00000 -0.00800 105 7D+1 -0.00000 0.00000 0.00000 -0.00754 0.00000 106 7D-1 -0.00000 0.00000 -0.00000 0.00354 0.00000 107 7D+2 -0.00360 0.00558 -0.00541 0.00000 0.01067 108 7D-2 0.00284 -0.00986 -0.00243 0.00000 -0.00876 109 5 H 1S 0.00269 -0.00926 -0.01767 0.00000 -0.01039 110 2S 0.00029 -0.00881 -0.02893 0.00000 -0.00655 111 3S 0.00078 -0.02254 -0.02371 0.00000 0.00135 112 4PX -0.00081 -0.00115 0.00220 -0.00000 0.00306 113 4PY 0.00099 -0.00042 -0.00217 0.00000 -0.00119 114 4PZ -0.00000 0.00000 0.00000 0.00465 0.00000 115 6 H 1S -0.00280 -0.00130 0.00381 -0.01428 0.00957 116 2S -0.00193 -0.00039 0.00521 -0.02752 0.00917 117 3S -0.00292 -0.00029 0.00803 -0.02249 0.00840 118 4PX 0.00017 0.00076 -0.00031 -0.00077 -0.00060 119 4PY -0.00063 -0.00116 0.00050 0.00158 0.00163 120 4PZ 0.00031 0.00001 -0.00047 0.00122 -0.00111 121 7 H 1S -0.00280 -0.00130 0.00381 0.01428 0.00957 122 2S -0.00193 -0.00039 0.00521 0.02752 0.00917 123 3S -0.00292 -0.00029 0.00803 0.02249 0.00840 124 4PX 0.00017 0.00076 -0.00031 0.00077 -0.00060 125 4PY -0.00063 -0.00116 0.00050 -0.00158 0.00163 126 4PZ -0.00031 -0.00001 0.00047 0.00122 0.00111 127 8 H 1S 0.00344 0.00375 -0.00495 0.00000 -0.01189 128 2S 0.00328 0.00142 -0.00690 0.00000 -0.01205 129 3S 0.00336 -0.00387 -0.00764 0.00000 -0.00870 130 4PX -0.00007 -0.00109 -0.00097 0.00000 -0.00032 131 4PY 0.00015 0.00168 0.00093 -0.00000 -0.00075 132 4PZ -0.00000 -0.00000 -0.00000 -0.00027 0.00000 61 62 63 64 65 61 3PX 0.31934 62 3PY 0.04423 0.30633 63 3PZ 0.00000 -0.00000 0.30392 64 4S -0.08012 -0.15125 0.00000 0.53466 65 4PX 0.24106 0.05264 0.00000 -0.08296 0.18855 66 4PY 0.04497 0.18448 -0.00000 -0.10598 0.04482 67 4PZ 0.00000 -0.00000 0.24140 0.00000 0.00000 68 5S -0.02508 0.00504 -0.00000 -0.06925 -0.01887 69 5PX 0.02214 0.04531 -0.00000 -0.06728 0.02221 70 5PY 0.01283 -0.00844 0.00000 0.02138 0.00826 71 5PZ -0.00000 0.00000 0.00230 -0.00000 -0.00000 72 6D 0 -0.00318 -0.00426 -0.00000 0.00072 -0.00239 73 6D+1 -0.00000 -0.00000 0.00187 0.00000 -0.00000 74 6D-1 0.00000 -0.00000 0.00458 0.00000 0.00000 75 6D+2 0.00295 -0.00810 0.00000 0.00081 0.00157 76 6D-2 0.00088 0.00129 -0.00000 -0.00215 0.00086 77 7D 0 -0.00894 -0.00495 -0.00000 -0.00091 -0.00646 78 7D+1 -0.00000 -0.00000 0.00670 0.00000 -0.00000 79 7D-1 0.00000 -0.00000 0.02227 0.00000 0.00000 80 7D+2 0.01226 -0.01622 0.00000 0.00275 0.00757 81 7D-2 0.00791 0.01076 -0.00000 -0.01182 0.00669 82 4 O 1S -0.00522 0.00065 -0.00000 0.02716 0.00977 83 2S -0.00816 0.00074 -0.00000 0.04176 0.01357 84 2PX -0.11688 0.02832 -0.00000 -0.04210 -0.08904 85 2PY 0.03414 -0.02595 0.00000 0.03344 0.02224 86 2PZ -0.00000 0.00000 0.03098 -0.00000 -0.00000 87 3S 0.02049 0.00017 -0.00000 -0.12422 -0.03448 88 3PX -0.17667 0.04165 -0.00000 -0.06323 -0.13361 89 3PY 0.05309 -0.03555 0.00000 0.04782 0.03478 90 3PZ -0.00000 0.00000 0.04711 -0.00000 -0.00000 91 4S -0.04703 0.03217 -0.00000 -0.15500 -0.07552 92 4PX -0.11652 0.01009 -0.00000 -0.01365 -0.09043 93 4PY 0.01846 -0.04040 0.00000 0.03953 0.00826 94 4PZ -0.00000 0.00000 0.02186 -0.00000 -0.00000 95 5S -0.04034 -0.04118 0.00000 0.08199 -0.03319 96 5PX -0.00889 0.00950 -0.00000 -0.02396 -0.00779 97 5PY -0.01169 -0.02084 0.00000 0.02351 -0.00946 98 5PZ 0.00000 0.00000 -0.00499 -0.00000 0.00000 99 6D 0 -0.00294 0.00125 -0.00000 -0.00251 -0.00203 100 6D+1 0.00000 0.00000 -0.00262 0.00000 0.00000 101 6D-1 0.00000 -0.00000 0.00126 0.00000 0.00000 102 6D+2 0.00253 -0.00297 0.00000 0.00400 0.00158 103 6D-2 -0.00478 0.00011 0.00000 -0.00198 -0.00340 104 7D 0 -0.00975 0.00166 -0.00000 -0.00560 -0.00656 105 7D+1 0.00000 0.00000 -0.01121 0.00000 0.00000 106 7D-1 0.00000 -0.00000 0.00527 0.00000 0.00000 107 7D+2 0.00864 -0.00796 0.00000 0.00998 0.00545 108 7D-2 -0.01490 -0.00343 0.00000 -0.00358 -0.01044 109 5 H 1S -0.01394 -0.02593 0.00000 0.00105 -0.01663 110 2S -0.01313 -0.04241 0.00000 0.00889 -0.02013 111 3S -0.03334 -0.03428 0.00000 0.01624 -0.02952 112 4PX -0.00168 0.00329 -0.00000 0.00179 -0.00071 113 4PY -0.00059 -0.00316 0.00000 0.00045 0.00003 114 4PZ 0.00000 0.00000 0.00690 -0.00000 0.00000 115 6 H 1S -0.00215 0.00584 -0.02115 0.00585 -0.00327 116 2S -0.00096 0.00794 -0.04077 0.00476 -0.00303 117 3S -0.00063 0.01189 -0.03333 0.00267 -0.00126 118 4PX 0.00112 -0.00047 -0.00114 -0.00074 0.00101 119 4PY -0.00174 0.00077 0.00234 0.00116 -0.00141 120 4PZ 0.00004 -0.00073 0.00181 -0.00062 0.00022 121 7 H 1S -0.00215 0.00584 0.02115 0.00585 -0.00327 122 2S -0.00096 0.00794 0.04077 0.00476 -0.00303 123 3S -0.00063 0.01189 0.03333 0.00267 -0.00126 124 4PX 0.00112 -0.00047 0.00114 -0.00074 0.00101 125 4PY -0.00174 0.00077 -0.00234 0.00116 -0.00141 126 4PZ -0.00004 0.00073 0.00181 0.00062 -0.00022 127 8 H 1S 0.00618 -0.00757 0.00000 -0.00383 0.00577 128 2S 0.00298 -0.01046 0.00000 -0.00113 0.00347 129 3S -0.00557 -0.01127 0.00000 -0.00122 -0.00487 130 4PX -0.00153 -0.00143 0.00000 0.00045 -0.00080 131 4PY 0.00254 0.00132 -0.00000 -0.00086 0.00198 132 4PZ -0.00000 -0.00000 -0.00039 0.00000 -0.00000 66 67 68 69 70 66 4PY 0.11378 67 4PZ -0.00000 0.19176 68 5S 0.00565 -0.00000 0.02131 69 5PX 0.03283 -0.00000 0.01254 0.03098 70 5PY -0.00547 0.00000 -0.00579 -0.00724 0.00368 71 5PZ 0.00000 0.00188 0.00000 0.00000 -0.00000 72 6D 0 -0.00275 -0.00000 0.00030 -0.00079 0.00001 73 6D+1 -0.00000 0.00150 0.00000 0.00000 -0.00000 74 6D-1 -0.00000 0.00362 -0.00000 -0.00000 0.00000 75 6D+2 -0.00464 0.00000 -0.00044 -0.00142 0.00048 76 6D-2 0.00064 0.00000 0.00004 -0.00057 0.00017 77 7D 0 -0.00356 -0.00000 0.00118 -0.00134 -0.00012 78 7D+1 -0.00000 0.00543 0.00000 0.00000 -0.00000 79 7D-1 -0.00000 0.01759 -0.00000 -0.00000 0.00000 80 7D+2 -0.00939 0.00000 -0.00313 -0.00528 0.00203 81 7D-2 0.00594 -0.00000 -0.00076 -0.00302 0.00111 82 4 O 1S -0.00506 0.00000 -0.02020 -0.00960 0.00355 83 2S -0.00751 0.00000 -0.02374 -0.01175 0.00450 84 2PX 0.00821 -0.00000 0.01116 -0.01963 -0.00293 85 2PY -0.02409 0.00000 -0.03462 -0.05549 0.01605 86 2PZ 0.00000 0.02572 0.00000 0.00000 -0.00000 87 3S 0.02099 -0.00000 0.04211 0.02366 -0.00987 88 3PX 0.01173 -0.00000 0.01701 -0.02843 -0.00470 89 3PY -0.03329 0.00000 -0.05013 -0.07931 0.02321 90 3PZ 0.00000 0.03902 0.00000 0.00000 -0.00000 91 4S 0.03452 -0.00000 0.05063 0.02507 -0.01426 92 4PX -0.00453 0.00000 0.00375 -0.03104 0.00033 93 4PY -0.03661 0.00000 -0.04165 -0.07544 0.01990 94 4PZ 0.00000 0.01886 0.00000 0.00000 -0.00000 95 5S -0.03305 0.00000 -0.01681 -0.03536 0.00791 96 5PX 0.00626 -0.00000 0.00538 0.00249 -0.00168 97 5PY -0.01740 0.00000 -0.01230 -0.02335 0.00520 98 5PZ 0.00000 -0.00358 0.00000 0.00000 -0.00000 99 6D 0 0.00063 -0.00000 0.00070 0.00025 -0.00027 100 6D+1 0.00000 -0.00209 -0.00000 -0.00000 0.00000 101 6D-1 -0.00000 0.00100 -0.00000 0.00000 0.00000 102 6D+2 -0.00157 0.00000 -0.00054 0.00001 0.00020 103 6D-2 -0.00007 0.00000 0.00108 0.00048 -0.00044 104 7D 0 0.00058 -0.00000 0.00186 0.00080 -0.00085 105 7D+1 0.00000 -0.00897 -0.00000 -0.00000 0.00000 106 7D-1 -0.00000 0.00422 0.00000 0.00000 -0.00000 107 7D+2 -0.00376 0.00000 -0.00071 0.00153 0.00029 108 7D-2 -0.00247 0.00000 0.00320 0.00152 -0.00138 109 5 H 1S -0.01895 0.00000 0.00866 -0.01269 -0.00301 110 2S -0.02955 0.00000 0.01168 -0.01839 -0.00333 111 3S -0.02283 0.00000 0.00548 -0.01308 0.00028 112 4PX 0.00215 -0.00000 -0.00085 0.00016 0.00077 113 4PY -0.00163 0.00000 -0.00029 0.00084 0.00010 114 4PZ 0.00000 0.00543 0.00000 -0.00000 -0.00000 115 6 H 1S 0.00248 -0.01704 -0.00131 -0.00283 0.00255 116 2S 0.00361 -0.03268 -0.00105 -0.00310 0.00346 117 3S 0.00684 -0.02641 0.00038 0.00009 0.00127 118 4PX -0.00037 -0.00091 -0.00077 0.00036 -0.00008 119 4PY 0.00030 0.00189 0.00012 -0.00025 0.00003 120 4PZ -0.00030 0.00145 0.00027 0.00029 -0.00032 121 7 H 1S 0.00248 0.01704 -0.00131 -0.00283 0.00255 122 2S 0.00361 0.03268 -0.00105 -0.00310 0.00346 123 3S 0.00684 0.02641 0.00038 0.00009 0.00127 124 4PX -0.00037 0.00091 -0.00077 0.00036 -0.00008 125 4PY 0.00030 -0.00189 0.00012 -0.00025 0.00003 126 4PZ 0.00030 0.00145 -0.00027 -0.00029 0.00032 127 8 H 1S -0.00178 0.00000 0.00484 -0.00078 -0.00132 128 2S -0.00299 0.00000 0.00695 -0.00294 -0.00174 129 3S -0.00571 0.00000 0.00537 -0.00100 -0.00124 130 4PX -0.00080 0.00000 -0.00013 0.00001 -0.00042 131 4PY 0.00114 -0.00000 0.00040 0.00014 0.00009 132 4PZ -0.00000 -0.00034 -0.00000 -0.00000 -0.00000 71 72 73 74 75 71 5PZ 0.00071 72 6D 0 0.00000 0.00010 73 6D+1 0.00004 0.00000 0.00005 74 6D-1 -0.00001 0.00000 -0.00001 0.00011 75 6D+2 -0.00000 0.00008 0.00000 0.00000 0.00033 76 6D-2 -0.00000 0.00001 -0.00000 0.00000 -0.00002 77 7D 0 0.00000 0.00020 0.00000 -0.00000 0.00004 78 7D+1 0.00017 0.00000 0.00027 -0.00015 0.00000 79 7D-1 -0.00010 -0.00000 -0.00005 0.00055 0.00000 80 7D+2 -0.00000 0.00011 0.00000 0.00000 0.00089 81 7D-2 -0.00000 -0.00009 -0.00000 0.00000 -0.00006 82 4 O 1S -0.00000 0.00054 -0.00000 -0.00000 -0.00068 83 2S -0.00000 0.00090 -0.00000 -0.00000 -0.00114 84 2PX 0.00000 0.00083 0.00000 -0.00000 -0.00096 85 2PY -0.00000 0.00040 -0.00000 0.00000 0.00347 86 2PZ 0.00129 0.00000 0.00255 -0.00216 -0.00000 87 3S 0.00000 -0.00270 0.00000 0.00000 0.00347 88 3PX 0.00000 0.00131 0.00000 -0.00000 -0.00153 89 3PY -0.00000 0.00049 -0.00000 0.00000 0.00499 90 3PZ 0.00187 0.00000 0.00370 -0.00308 -0.00000 91 4S 0.00000 -0.00203 0.00000 0.00000 0.00151 92 4PX 0.00000 0.00106 0.00000 -0.00000 -0.00024 93 4PY -0.00000 0.00082 -0.00000 0.00000 0.00457 94 4PZ 0.00161 0.00000 0.00332 -0.00321 -0.00000 95 5S -0.00000 0.00099 -0.00000 0.00000 0.00107 96 5PX 0.00000 -0.00008 0.00000 -0.00000 -0.00013 97 5PY -0.00000 0.00053 -0.00000 0.00000 0.00123 98 5PZ 0.00007 0.00000 0.00082 -0.00101 -0.00000 99 6D 0 0.00000 0.00002 -0.00000 -0.00000 -0.00006 100 6D+1 -0.00003 -0.00000 -0.00004 -0.00001 0.00000 101 6D-1 0.00001 -0.00000 0.00002 0.00001 0.00000 102 6D+2 -0.00000 -0.00001 0.00000 0.00000 0.00008 103 6D-2 0.00000 0.00005 0.00000 -0.00000 -0.00008 104 7D 0 0.00000 0.00010 -0.00000 -0.00000 -0.00017 105 7D+1 -0.00017 -0.00000 -0.00021 -0.00001 0.00000 106 7D-1 0.00008 0.00000 0.00011 -0.00001 0.00000 107 7D+2 -0.00000 -0.00005 0.00000 0.00000 0.00019 108 7D-2 0.00000 0.00021 0.00000 -0.00000 -0.00019 109 5 H 1S 0.00000 0.00049 -0.00000 0.00000 -0.00009 110 2S 0.00000 0.00067 -0.00000 0.00000 0.00007 111 3S -0.00000 0.00075 -0.00000 0.00000 0.00053 112 4PX -0.00000 -0.00002 0.00000 -0.00000 -0.00000 113 4PY -0.00000 0.00005 0.00000 0.00000 0.00012 114 4PZ -0.00009 -0.00000 -0.00004 0.00020 -0.00000 115 6 H 1S -0.00538 0.00004 -0.00003 -0.00031 -0.00023 116 2S -0.00789 0.00005 -0.00000 -0.00072 -0.00030 117 3S -0.00268 -0.00012 0.00024 -0.00094 -0.00043 118 4PX -0.00015 -0.00000 -0.00001 -0.00001 0.00005 119 4PY 0.00059 0.00000 0.00001 0.00003 -0.00005 120 4PZ 0.00035 -0.00000 0.00001 0.00003 0.00002 121 7 H 1S 0.00538 0.00004 0.00003 0.00031 -0.00023 122 2S 0.00789 0.00005 0.00000 0.00072 -0.00030 123 3S 0.00268 -0.00012 -0.00024 0.00094 -0.00043 124 4PX 0.00015 -0.00000 0.00001 0.00001 0.00005 125 4PY -0.00059 0.00000 -0.00001 -0.00003 -0.00005 126 4PZ 0.00035 0.00000 0.00001 0.00003 -0.00002 127 8 H 1S 0.00000 -0.00003 -0.00000 0.00000 0.00028 128 2S 0.00000 -0.00000 -0.00000 0.00000 0.00032 129 3S 0.00000 0.00016 -0.00000 0.00000 0.00014 130 4PX 0.00000 0.00001 0.00000 0.00000 0.00005 131 4PY -0.00000 -0.00004 -0.00000 -0.00000 -0.00002 132 4PZ -0.00046 -0.00000 -0.00000 0.00001 -0.00000 76 77 78 79 80 76 6D-2 0.00009 77 7D 0 0.00005 0.00047 78 7D+1 -0.00000 0.00000 0.00164 79 7D-1 0.00000 -0.00000 -0.00073 0.00267 80 7D+2 0.00003 -0.00008 -0.00000 0.00000 0.00288 81 7D-2 0.00041 -0.00001 -0.00000 0.00000 0.00052 82 4 O 1S 0.00063 0.00117 -0.00000 -0.00000 -0.00214 83 2S 0.00108 0.00199 -0.00000 -0.00000 -0.00339 84 2PX 0.00071 0.00350 0.00000 -0.00000 -0.00106 85 2PY 0.00158 0.00030 -0.00000 0.00000 0.01649 86 2PZ -0.00000 0.00000 0.01618 -0.01029 -0.00000 87 3S -0.00341 -0.00614 0.00000 0.00000 0.00960 88 3PX 0.00108 0.00538 0.00000 -0.00000 -0.00203 89 3PY 0.00227 0.00025 -0.00000 0.00000 0.02381 90 3PZ -0.00000 0.00000 0.02341 -0.01468 -0.00000 91 4S -0.00277 -0.00349 0.00000 0.00000 0.00374 92 4PX 0.00084 0.00370 0.00000 -0.00000 0.00167 93 4PY 0.00203 0.00121 -0.00000 0.00000 0.02142 94 4PZ -0.00000 0.00000 0.02139 -0.01534 -0.00000 95 5S 0.00067 0.00197 -0.00000 0.00000 0.00473 96 5PX -0.00004 0.00008 0.00000 -0.00000 -0.00033 97 5PY 0.00052 0.00096 -0.00000 0.00000 0.00549 98 5PZ -0.00000 0.00000 0.00549 -0.00483 -0.00000 99 6D 0 0.00001 0.00009 -0.00000 -0.00000 -0.00021 100 6D+1 0.00000 -0.00000 -0.00023 -0.00005 0.00000 101 6D-1 -0.00000 -0.00000 0.00010 0.00003 0.00000 102 6D+2 -0.00004 -0.00009 0.00000 0.00000 0.00016 103 6D-2 -0.00001 0.00016 0.00000 -0.00000 -0.00035 104 7D 0 0.00000 0.00034 -0.00000 -0.00000 -0.00065 105 7D+1 0.00000 -0.00000 -0.00117 -0.00007 0.00000 106 7D-1 -0.00000 -0.00000 0.00064 -0.00004 -0.00000 107 7D+2 -0.00017 -0.00033 0.00000 -0.00000 0.00020 108 7D-2 -0.00005 0.00054 0.00000 -0.00000 -0.00110 109 5 H 1S 0.00117 0.00079 -0.00000 -0.00000 -0.00191 110 2S 0.00161 0.00096 -0.00000 -0.00000 -0.00230 111 3S 0.00037 0.00151 -0.00000 0.00000 0.00063 112 4PX -0.00010 0.00005 0.00000 0.00000 0.00029 113 4PY -0.00012 0.00007 0.00000 0.00000 0.00028 114 4PZ 0.00000 -0.00000 -0.00037 0.00096 -0.00000 115 6 H 1S 0.00026 0.00046 0.00074 -0.00120 -0.00059 116 2S 0.00038 0.00066 0.00156 -0.00305 -0.00087 117 3S 0.00018 0.00012 0.00245 -0.00436 -0.00109 118 4PX -0.00004 -0.00004 -0.00004 -0.00004 0.00016 119 4PY 0.00002 0.00005 -0.00002 0.00009 -0.00015 120 4PZ -0.00003 -0.00005 -0.00003 0.00011 0.00006 121 7 H 1S 0.00026 0.00046 -0.00074 0.00120 -0.00059 122 2S 0.00038 0.00066 -0.00156 0.00305 -0.00087 123 3S 0.00018 0.00012 -0.00245 0.00436 -0.00109 124 4PX -0.00004 -0.00004 0.00004 0.00004 0.00016 125 4PY 0.00002 0.00005 0.00002 -0.00009 -0.00015 126 4PZ 0.00003 0.00005 -0.00003 0.00011 -0.00006 127 8 H 1S -0.00000 -0.00058 -0.00000 0.00000 0.00082 128 2S 0.00006 -0.00065 -0.00000 0.00000 0.00100 129 3S 0.00005 0.00013 -0.00000 -0.00000 -0.00015 130 4PX -0.00007 -0.00006 0.00000 0.00000 0.00017 131 4PY 0.00003 -0.00010 -0.00000 -0.00000 -0.00001 132 4PZ 0.00000 -0.00000 0.00003 0.00005 0.00000 81 82 83 84 85 81 7D-2 0.00227 82 4 O 1S 0.00187 0.64111 83 2S 0.00302 0.57141 0.52721 84 2PX 0.00454 -0.01035 -0.01584 0.08601 85 2PY 0.01194 0.00526 0.00816 0.04432 0.17045 86 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 87 3S -0.00905 -0.14277 -0.24055 0.04546 -0.02524 88 3PX 0.00659 -0.01087 -0.01798 0.12719 0.06285 89 3PY 0.01720 0.00584 0.00970 0.06241 0.24524 90 3PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 4S -0.00726 -0.15016 -0.23239 0.07550 -0.03438 92 4PX 0.00548 -0.00432 -0.00898 0.08938 0.06904 93 4PY 0.01532 0.00145 0.00365 0.07178 0.22505 94 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 95 5S 0.00341 0.02980 0.03474 0.02742 0.06451 96 5PX 0.00018 -0.01199 -0.01577 0.01005 -0.00175 97 5PY 0.00359 0.00783 0.01054 0.02295 0.06186 98 5PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 99 6D 0 0.00002 -0.00016 -0.00015 0.00159 -0.00069 100 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 101 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 6D+2 -0.00025 0.00003 -0.00006 -0.00241 -0.00085 103 6D-2 -0.00015 -0.00009 0.00000 0.00154 -0.00224 104 7D 0 -0.00014 0.00125 0.00163 0.00395 -0.00283 105 7D+1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 7D+2 -0.00098 -0.00153 -0.00206 -0.00868 -0.00638 108 7D-2 -0.00071 0.00202 0.00274 0.00300 -0.00846 109 5 H 1S 0.00365 0.00144 0.00239 0.00688 -0.00671 110 2S 0.00486 -0.00070 -0.00016 0.00541 -0.01119 111 3S 0.00102 -0.00074 -0.00127 0.01514 0.00647 112 4PX -0.00017 0.00001 -0.00008 0.00164 0.00287 113 4PY -0.00056 0.00050 0.00060 -0.00111 -0.00036 114 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 115 6 H 1S 0.00073 0.00016 0.00027 0.00323 -0.00177 116 2S 0.00100 0.00009 0.00017 0.00341 -0.00410 117 3S 0.00058 0.00001 -0.00008 0.00161 -0.00427 118 4PX -0.00020 -0.00003 -0.00006 -0.00055 0.00080 119 4PY 0.00004 0.00008 0.00011 0.00081 -0.00014 120 4PZ -0.00007 -0.00001 -0.00003 -0.00029 0.00022 121 7 H 1S 0.00073 0.00016 0.00027 0.00323 -0.00177 122 2S 0.00100 0.00009 0.00017 0.00341 -0.00410 123 3S 0.00058 0.00001 -0.00008 0.00161 -0.00427 124 4PX -0.00020 -0.00003 -0.00006 -0.00055 0.00080 125 4PY 0.00004 0.00008 0.00011 0.00081 -0.00014 126 4PZ 0.00007 0.00001 0.00003 0.00029 -0.00022 127 8 H 1S 0.00115 0.00032 0.00053 -0.00326 0.00044 128 2S 0.00191 0.00080 0.00127 -0.00134 0.00274 129 3S 0.00028 -0.00123 -0.00147 0.00008 -0.00525 130 4PX -0.00016 -0.00001 -0.00002 0.00037 0.00108 131 4PY 0.00025 0.00008 0.00012 -0.00085 -0.00048 132 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 86 87 88 89 90 86 2PZ 0.16398 87 3S 0.00000 0.74802 88 3PX -0.00000 0.05692 0.18835 89 3PY -0.00000 -0.03280 0.08833 0.35291 90 3PZ 0.23699 0.00000 -0.00000 -0.00000 0.34253 91 4S 0.00000 0.65788 0.10353 -0.04713 0.00000 92 4PX -0.00000 0.03410 0.13185 0.09789 -0.00000 93 4PY -0.00000 -0.01761 0.10268 0.32349 -0.00000 94 4PZ 0.21919 0.00000 -0.00000 -0.00000 0.31664 95 5S -0.00000 -0.05962 0.04051 0.09194 -0.00000 96 5PX 0.00000 0.03518 0.01455 -0.00248 0.00000 97 5PY -0.00000 -0.02480 0.03344 0.08860 -0.00000 98 5PZ 0.05771 0.00000 -0.00000 -0.00000 0.08328 99 6D 0 -0.00000 0.00018 0.00240 -0.00102 0.00000 100 6D+1 -0.00210 0.00000 -0.00000 0.00000 -0.00305 101 6D-1 0.00086 0.00000 -0.00000 -0.00000 0.00126 102 6D+2 0.00000 0.00051 -0.00361 -0.00119 0.00000 103 6D-2 0.00000 -0.00039 0.00239 -0.00329 0.00000 104 7D 0 -0.00000 -0.00325 0.00607 -0.00422 -0.00000 105 7D+1 -0.01069 0.00000 -0.00000 0.00000 -0.01552 106 7D-1 0.00595 0.00000 -0.00000 -0.00000 0.00863 107 7D+2 0.00000 0.00452 -0.01293 -0.00903 0.00000 108 7D-2 0.00000 -0.00609 0.00485 -0.01242 0.00000 109 5 H 1S 0.00000 -0.00829 0.01039 -0.01017 0.00000 110 2S 0.00000 -0.00431 0.00810 -0.01670 0.00000 111 3S -0.00000 0.00373 0.02251 0.00868 -0.00000 112 4PX -0.00000 0.00062 0.00238 0.00415 -0.00000 113 4PY 0.00000 -0.00098 -0.00158 -0.00054 0.00000 114 4PZ -0.00471 0.00000 -0.00000 0.00000 -0.00675 115 6 H 1S 0.01215 -0.00101 0.00468 -0.00253 0.01738 116 2S 0.02400 -0.00080 0.00491 -0.00587 0.03434 117 3S 0.03052 0.00042 0.00232 -0.00607 0.04381 118 4PX -0.00019 0.00021 -0.00082 0.00117 -0.00028 119 4PY -0.00073 -0.00026 0.00120 -0.00022 -0.00104 120 4PZ -0.00067 0.00017 -0.00042 0.00032 -0.00096 121 7 H 1S -0.01215 -0.00101 0.00468 -0.00253 -0.01738 122 2S -0.02400 -0.00080 0.00491 -0.00587 -0.03434 123 3S -0.03052 0.00042 0.00232 -0.00607 -0.04381 124 4PX 0.00019 0.00021 -0.00082 0.00117 0.00028 125 4PY 0.00073 -0.00026 0.00120 -0.00022 0.00104 126 4PZ -0.00067 -0.00017 0.00042 -0.00032 -0.00096 127 8 H 1S -0.00000 -0.00170 -0.00475 0.00057 -0.00000 128 2S -0.00000 -0.00390 -0.00186 0.00377 -0.00000 129 3S 0.00000 0.00254 0.00027 -0.00773 0.00000 130 4PX -0.00000 0.00012 0.00057 0.00153 -0.00000 131 4PY 0.00000 -0.00038 -0.00127 -0.00067 0.00000 132 4PZ 0.00050 0.00000 0.00000 0.00000 0.00073 91 92 93 94 95 91 4S 0.60277 92 4PX 0.06115 0.09768 93 4PY -0.02525 0.10434 0.30012 94 4PZ 0.00000 -0.00000 -0.00000 0.29428 95 5S -0.05364 0.04065 0.08796 -0.00000 0.04405 96 5PX 0.03622 0.00847 -0.00038 0.00000 -0.00375 97 5PY -0.02264 0.03274 0.08342 -0.00000 0.02871 98 5PZ 0.00000 -0.00000 -0.00000 0.07817 -0.00000 99 6D 0 0.00123 0.00137 -0.00061 -0.00000 -0.00012 100 6D+1 -0.00000 -0.00000 0.00000 -0.00266 0.00000 101 6D-1 -0.00000 -0.00000 -0.00000 0.00108 -0.00000 102 6D+2 -0.00086 -0.00230 -0.00141 0.00000 -0.00027 103 6D-2 0.00101 0.00117 -0.00254 0.00000 -0.00034 104 7D 0 0.00016 0.00334 -0.00289 -0.00000 -0.00019 105 7D+1 0.00000 -0.00000 0.00000 -0.01369 0.00000 106 7D-1 0.00000 -0.00000 -0.00000 0.00768 -0.00000 107 7D+2 0.00007 -0.00895 -0.00937 0.00000 -0.00274 108 7D-2 -0.00177 0.00188 -0.01001 0.00000 -0.00102 109 5 H 1S -0.00457 0.00722 -0.00686 0.00000 0.00780 110 2S -0.00266 0.00613 -0.01245 0.00000 0.01061 111 3S 0.00744 0.01773 0.01223 -0.00000 0.01245 112 4PX 0.00095 0.00194 0.00386 -0.00000 0.00073 113 4PY -0.00123 -0.00107 -0.00047 0.00000 -0.00050 114 4PZ 0.00000 -0.00000 0.00000 -0.00681 0.00000 115 6 H 1S 0.00004 0.00363 -0.00228 0.01761 0.00443 116 2S 0.00046 0.00362 -0.00544 0.03480 0.00495 117 3S 0.00178 0.00095 -0.00576 0.04328 0.00043 118 4PX -0.00014 -0.00045 0.00099 -0.00019 -0.00017 119 4PY 0.00021 0.00079 -0.00005 -0.00113 0.00035 120 4PZ 0.00009 -0.00035 0.00031 -0.00102 -0.00052 121 7 H 1S 0.00004 0.00363 -0.00228 -0.01761 0.00443 122 2S 0.00046 0.00362 -0.00544 -0.03480 0.00495 123 3S 0.00178 0.00095 -0.00576 -0.04328 0.00043 124 4PX -0.00014 -0.00045 0.00099 0.00019 -0.00017 125 4PY 0.00021 0.00079 -0.00005 0.00113 0.00035 126 4PZ -0.00009 0.00035 -0.00031 -0.00102 0.00052 127 8 H 1S -0.00375 -0.00325 -0.00010 0.00000 -0.00227 128 2S -0.00546 -0.00092 0.00313 -0.00000 -0.00105 129 3S 0.00278 -0.00047 -0.00629 0.00000 -0.00123 130 4PX 0.00012 0.00053 0.00153 -0.00000 0.00002 131 4PY -0.00074 -0.00095 -0.00091 0.00000 -0.00047 132 4PZ 0.00000 0.00000 0.00000 0.00069 0.00000 96 97 98 99 100 96 5PX 0.00303 97 5PY -0.00095 0.02485 98 5PZ 0.00000 -0.00000 0.02127 99 6D 0 0.00025 -0.00008 -0.00000 0.00005 100 6D+1 -0.00000 0.00000 -0.00062 -0.00000 0.00004 101 6D-1 -0.00000 -0.00000 0.00025 -0.00000 -0.00002 102 6D+2 -0.00032 -0.00042 0.00000 -0.00006 0.00000 103 6D-2 0.00024 -0.00048 0.00000 0.00006 -0.00000 104 7D 0 0.00048 -0.00031 -0.00000 0.00014 -0.00000 105 7D+1 -0.00000 0.00000 -0.00327 -0.00000 0.00021 106 7D-1 -0.00000 -0.00000 0.00187 -0.00000 -0.00011 107 7D+2 -0.00082 -0.00286 0.00000 -0.00017 0.00000 108 7D-2 0.00032 -0.00184 0.00000 0.00018 -0.00000 109 5 H 1S -0.00001 -0.00107 0.00000 0.00014 -0.00000 110 2S -0.00038 -0.00269 0.00000 0.00007 -0.00000 111 3S 0.00076 0.00508 -0.00000 0.00021 -0.00000 112 4PX 0.00014 0.00103 -0.00000 0.00001 0.00000 113 4PY -0.00014 0.00006 -0.00000 -0.00001 -0.00000 114 4PZ -0.00000 -0.00000 -0.00203 -0.00000 0.00000 115 6 H 1S -0.00070 -0.00081 0.00766 0.00003 0.00004 116 2S -0.00088 -0.00192 0.01399 0.00004 0.00006 117 3S 0.00007 -0.00211 0.01389 0.00005 -0.00009 118 4PX -0.00008 0.00034 0.00005 -0.00002 0.00001 119 4PY 0.00008 0.00003 -0.00062 0.00002 -0.00001 120 4PZ 0.00012 0.00010 -0.00048 -0.00000 -0.00001 121 7 H 1S -0.00070 -0.00081 -0.00766 0.00003 -0.00004 122 2S -0.00088 -0.00192 -0.01399 0.00004 -0.00006 123 3S 0.00007 -0.00211 -0.01389 0.00005 0.00009 124 4PX -0.00008 0.00034 -0.00005 -0.00002 -0.00001 125 4PY 0.00008 0.00003 0.00062 0.00002 0.00001 126 4PZ -0.00012 -0.00010 -0.00048 0.00000 -0.00001 127 8 H 1S 0.00004 -0.00055 0.00000 -0.00005 0.00000 128 2S 0.00024 0.00035 -0.00000 -0.00003 0.00000 129 3S 0.00051 -0.00166 0.00000 0.00005 -0.00000 130 4PX 0.00004 0.00060 -0.00000 0.00000 -0.00000 131 4PY -0.00007 -0.00047 0.00000 -0.00001 0.00000 132 4PZ 0.00000 0.00000 0.00039 -0.00000 -0.00000 101 102 103 104 105 101 6D-1 0.00001 102 6D+2 0.00000 0.00010 103 6D-2 -0.00000 -0.00005 0.00011 104 7D 0 -0.00000 -0.00015 0.00021 0.00047 105 7D+1 -0.00009 0.00000 -0.00000 -0.00000 0.00098 106 7D-1 0.00005 0.00000 0.00000 -0.00000 -0.00052 107 7D+2 0.00000 0.00032 -0.00013 -0.00044 0.00000 108 7D-2 0.00000 -0.00010 0.00034 0.00065 -0.00000 109 5 H 1S -0.00000 -0.00010 0.00036 -0.00016 -0.00000 110 2S 0.00000 0.00006 0.00038 -0.00061 -0.00000 111 3S -0.00000 -0.00015 0.00041 0.00050 -0.00000 112 4PX -0.00000 -0.00004 -0.00002 0.00008 0.00000 113 4PY 0.00000 0.00004 0.00001 0.00007 -0.00000 114 4PZ 0.00000 0.00000 0.00000 0.00000 0.00007 115 6 H 1S -0.00002 -0.00006 0.00002 0.00005 0.00008 116 2S -0.00004 -0.00007 0.00003 0.00006 0.00005 117 3S 0.00002 -0.00008 0.00003 0.00002 -0.00071 118 4PX -0.00001 0.00002 -0.00002 -0.00001 0.00005 119 4PY 0.00001 -0.00002 0.00002 0.00004 -0.00004 120 4PZ 0.00000 0.00001 0.00000 -0.00001 -0.00002 121 7 H 1S 0.00002 -0.00006 0.00002 0.00005 -0.00008 122 2S 0.00004 -0.00007 0.00003 0.00006 -0.00005 123 3S -0.00002 -0.00008 0.00003 0.00002 0.00071 124 4PX 0.00001 0.00002 -0.00002 -0.00001 -0.00005 125 4PY -0.00001 -0.00002 0.00002 0.00004 0.00004 126 4PZ 0.00000 -0.00001 -0.00000 0.00001 -0.00002 127 8 H 1S 0.00000 0.00005 -0.00006 -0.00027 -0.00000 128 2S -0.00000 -0.00001 -0.00003 -0.00029 -0.00000 129 3S 0.00000 0.00003 0.00016 0.00008 -0.00000 130 4PX -0.00000 -0.00000 0.00001 0.00004 -0.00000 131 4PY -0.00000 0.00001 -0.00003 -0.00007 0.00000 132 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00001 106 107 108 109 110 106 7D-1 0.00027 107 7D+2 0.00000 0.00117 108 7D-2 0.00000 -0.00021 0.00120 109 5 H 1S -0.00000 -0.00037 0.00150 0.08152 110 2S -0.00000 0.00018 0.00177 0.11474 0.16261 111 3S -0.00000 -0.00076 0.00147 0.02593 0.03625 112 4PX -0.00000 -0.00018 -0.00016 -0.01049 -0.01484 113 4PY 0.00000 0.00014 0.00009 -0.00592 -0.00837 114 4PZ -0.00006 0.00000 -0.00000 0.00000 0.00000 115 6 H 1S 0.00006 -0.00008 -0.00009 -0.00327 -0.00224 116 2S 0.00017 -0.00001 -0.00009 -0.00428 -0.00250 117 3S 0.00054 -0.00008 -0.00011 -0.00218 -0.00165 118 4PX -0.00002 0.00003 -0.00007 -0.00115 -0.00155 119 4PY 0.00001 -0.00007 0.00004 0.00037 0.00058 120 4PZ 0.00001 0.00000 0.00002 0.00057 0.00047 121 7 H 1S -0.00006 -0.00008 -0.00009 -0.00327 -0.00224 122 2S -0.00017 -0.00001 -0.00009 -0.00428 -0.00250 123 3S -0.00054 -0.00008 -0.00011 -0.00218 -0.00165 124 4PX 0.00002 0.00003 -0.00007 -0.00115 -0.00155 125 4PY -0.00001 -0.00007 0.00004 0.00037 0.00058 126 4PZ 0.00001 -0.00000 -0.00002 -0.00057 -0.00047 127 8 H 1S 0.00000 0.00016 0.00010 0.00882 0.00842 128 2S -0.00000 -0.00007 0.00024 0.01484 0.01514 129 3S 0.00000 0.00018 0.00071 0.01189 0.01531 130 4PX -0.00000 -0.00006 0.00006 -0.00031 -0.00106 131 4PY 0.00000 0.00005 -0.00008 0.00052 0.00055 132 4PZ 0.00001 -0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 3S 0.01645 112 4PX -0.00220 0.00160 113 4PY -0.00147 0.00074 0.00056 114 4PZ 0.00000 0.00000 0.00000 0.00036 115 6 H 1S -0.00158 0.00055 -0.00023 -0.00010 0.08150 116 2S -0.00262 0.00065 -0.00034 -0.00061 0.11569 117 3S -0.00182 0.00044 -0.00025 -0.00147 0.03515 118 4PX -0.00120 -0.00004 0.00010 -0.00000 0.00171 119 4PY 0.00008 -0.00001 -0.00005 -0.00001 -0.00623 120 4PZ 0.00035 -0.00006 0.00002 0.00002 -0.00847 121 7 H 1S -0.00158 0.00055 -0.00023 0.00010 -0.00605 122 2S -0.00262 0.00065 -0.00034 0.00061 -0.01494 123 3S -0.00182 0.00044 -0.00025 0.00147 -0.01645 124 4PX -0.00120 -0.00004 0.00010 0.00000 -0.00057 125 4PY 0.00008 -0.00001 -0.00005 0.00001 0.00319 126 4PZ -0.00035 0.00006 -0.00002 0.00002 0.00285 127 8 H 1S 0.01335 0.00050 -0.00010 0.00000 -0.00753 128 2S 0.02027 0.00057 -0.00035 0.00000 -0.01380 129 3S 0.00898 -0.00076 -0.00050 0.00000 -0.01190 130 4PX 0.00076 0.00010 0.00012 0.00000 -0.00133 131 4PY 0.00093 0.00010 -0.00005 0.00000 0.00168 132 4PZ 0.00000 0.00000 0.00000 0.00005 0.00360 116 117 118 119 120 116 2S 0.16571 117 3S 0.05362 0.02648 118 4PX 0.00256 0.00081 0.00030 119 4PY -0.00887 -0.00239 -0.00012 0.00074 120 4PZ -0.01175 -0.00295 -0.00018 0.00056 0.00104 121 7 H 1S -0.01494 -0.01645 -0.00057 0.00319 -0.00285 122 2S -0.03041 -0.02702 -0.00084 0.00514 -0.00335 123 3S -0.02702 -0.01554 -0.00047 0.00298 0.00041 124 4PX -0.00084 -0.00047 0.00023 0.00013 -0.00004 125 4PY 0.00514 0.00298 0.00013 -0.00028 -0.00004 126 4PZ 0.00335 -0.00041 0.00004 0.00004 -0.00068 127 8 H 1S -0.01433 -0.01310 -0.00327 -0.00256 0.00096 128 2S -0.02430 -0.01852 -0.00474 -0.00327 0.00186 129 3S -0.01701 -0.00575 -0.00158 -0.00021 0.00182 130 4PX -0.00229 -0.00182 -0.00018 -0.00029 0.00015 131 4PY 0.00186 -0.00057 -0.00031 -0.00035 -0.00027 132 4PZ 0.00530 0.00192 0.00009 -0.00039 -0.00023 121 122 123 124 125 121 7 H 1S 0.08150 122 2S 0.11569 0.16571 123 3S 0.03515 0.05362 0.02648 124 4PX 0.00171 0.00256 0.00081 0.00030 125 4PY -0.00623 -0.00887 -0.00239 -0.00012 0.00074 126 4PZ 0.00847 0.01175 0.00295 0.00018 -0.00056 127 8 H 1S -0.00753 -0.01433 -0.01310 -0.00327 -0.00256 128 2S -0.01380 -0.02430 -0.01852 -0.00474 -0.00327 129 3S -0.01190 -0.01701 -0.00575 -0.00158 -0.00021 130 4PX -0.00133 -0.00229 -0.00182 -0.00018 -0.00029 131 4PY 0.00168 0.00186 -0.00057 -0.00031 -0.00035 132 4PZ -0.00360 -0.00530 -0.00192 -0.00009 0.00039 126 127 128 129 130 126 4PZ 0.00104 127 8 H 1S -0.00096 0.08227 128 2S -0.00186 0.11422 0.15929 129 3S -0.00182 0.02836 0.04073 0.01403 130 4PX -0.00015 0.00778 0.01075 0.00243 0.00093 131 4PY 0.00027 0.00761 0.01035 0.00201 0.00064 132 4PZ -0.00023 0.00000 0.00000 0.00000 0.00000 131 132 131 4PY 0.00089 132 4PZ 0.00000 0.00031 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65768 2 2S 0.49055 0.48639 3 2PX 0.00000 0.00000 0.08088 4 2PY 0.00000 0.00000 0.00000 0.08761 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.08564 6 3S -0.02442 -0.05523 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.07242 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07649 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.07498 10 4S -0.01009 -0.01780 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01587 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01828 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01707 14 5S -0.00292 -0.00433 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 -0.00005 0.00000 -0.00000 16 5PY 0.00000 0.00000 0.00000 0.00041 0.00000 17 5PZ 0.00000 0.00000 -0.00000 0.00000 0.00036 18 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 19 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 21 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 24 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 26 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 -0.00002 -0.00000 -0.00000 29 2S 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 30 2PX -0.00002 -0.00001 0.00115 0.00023 0.00000 31 2PY -0.00000 -0.00000 0.00022 0.00001 0.00000 32 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00003 33 3S -0.00020 -0.00033 0.00512 0.00101 0.00000 34 3PX -0.00090 -0.00157 0.01155 0.00262 0.00000 35 3PY -0.00012 -0.00020 0.00241 -0.00004 -0.00000 36 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00069 37 4S -0.00028 -0.00067 0.00412 0.00095 0.00000 38 4PX -0.00098 -0.00186 0.00276 0.00096 0.00000 39 4PY -0.00009 -0.00011 0.00044 -0.00054 -0.00000 40 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00044 41 5S 0.00167 0.00249 0.00039 -0.00002 -0.00000 42 5PX 0.00048 0.00070 -0.00009 -0.00001 0.00000 43 5PY 0.00011 0.00016 -0.00002 -0.00006 -0.00000 44 5PZ 0.00000 0.00000 0.00000 -0.00000 -0.00008 45 6D 0 -0.00000 -0.00000 0.00003 0.00000 0.00000 46 6D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00004 47 6D-1 0.00000 0.00000 -0.00000 -0.00000 0.00001 48 6D+2 -0.00000 -0.00000 0.00008 0.00011 0.00000 49 6D-2 -0.00000 -0.00001 0.00017 -0.00001 -0.00000 50 7D 0 -0.00008 -0.00015 0.00001 0.00005 0.00000 51 7D+1 -0.00000 -0.00000 0.00000 0.00000 0.00088 52 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00041 53 7D+2 -0.00030 -0.00043 -0.00003 0.00154 0.00000 54 7D-2 -0.00036 -0.00050 0.00129 0.00042 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 -0.00000 -0.00000 63 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 64 4S 0.00001 0.00001 -0.00011 -0.00015 -0.00000 65 4PX 0.00003 0.00005 -0.00013 -0.00026 -0.00000 66 4PY 0.00000 0.00001 -0.00015 -0.00005 -0.00000 67 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00008 68 5S -0.00005 0.00000 -0.00023 0.00001 0.00000 69 5PX 0.00017 0.00022 -0.00006 -0.00028 -0.00000 70 5PY 0.00007 0.00010 -0.00015 -0.00012 -0.00000 71 5PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00019 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 0.00001 0.00000 0.00000 82 4 O 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 2S -0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.00000 0.00000 0.00000 0.00000 0.00000 86 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 87 3S -0.00000 0.00000 0.00000 0.00000 0.00000 88 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.00000 0.00000 0.00000 0.00000 0.00000 90 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 4S 0.00000 0.00000 0.00000 -0.00000 -0.00000 92 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 93 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 94 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 95 5S 0.00002 0.00002 -0.00002 -0.00004 -0.00000 96 5PX 0.00000 0.00000 0.00000 -0.00001 -0.00000 97 5PY -0.00000 -0.00001 0.00006 0.00001 0.00000 98 5PZ -0.00000 -0.00000 0.00000 0.00000 0.00002 99 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 100 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 101 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 102 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 105 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 106 7D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 109 5 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 110 2S 0.00001 0.00001 -0.00018 0.00000 0.00000 111 3S 0.00005 0.00008 -0.00068 -0.00000 -0.00000 112 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 114 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 115 6 H 1S -0.00021 -0.00029 0.00012 0.00267 0.00509 116 2S -0.00202 -0.00346 0.00023 0.00629 0.01260 117 3S 0.00047 0.00058 0.00002 0.00079 0.00177 118 4PX -0.00001 -0.00001 0.00037 0.00004 0.00006 119 4PY -0.00018 -0.00028 0.00002 -0.00002 0.00121 120 4PZ -0.00035 -0.00053 0.00004 0.00116 0.00063 121 7 H 1S -0.00021 -0.00029 0.00012 0.00267 0.00509 122 2S -0.00202 -0.00346 0.00023 0.00629 0.01260 123 3S 0.00047 0.00058 0.00002 0.00079 0.00177 124 4PX -0.00001 -0.00001 0.00037 0.00004 0.00006 125 4PY -0.00018 -0.00028 0.00002 -0.00002 0.00121 126 4PZ -0.00035 -0.00053 0.00004 0.00116 0.00063 127 8 H 1S -0.00022 -0.00032 0.00392 0.00436 0.00000 128 2S -0.00199 -0.00348 0.00914 0.01022 0.00000 129 3S 0.00039 0.00049 0.00097 0.00125 0.00000 130 4PX -0.00024 -0.00038 0.00023 0.00142 0.00000 131 4PY -0.00029 -0.00045 0.00124 0.00030 0.00000 132 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00048 6 7 8 9 10 6 3S 0.39653 7 3PX 0.00000 0.16418 8 3PY 0.00000 0.00000 0.16898 9 3PZ 0.00000 0.00000 0.00000 0.16592 10 4S 0.17779 0.00000 0.00000 0.00000 0.14553 11 4PX 0.00000 0.06701 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.07539 0.00000 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.07058 0.00000 14 5S 0.04184 0.00000 0.00000 0.00000 0.06154 15 5PX 0.00000 -0.00024 0.00000 -0.00000 0.00000 16 5PY 0.00000 0.00000 0.00213 0.00000 0.00000 17 5PZ 0.00000 -0.00000 0.00000 0.00194 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 -0.00020 -0.00106 -0.00022 -0.00000 -0.00016 29 2S -0.00034 -0.00190 -0.00038 -0.00000 -0.00021 30 2PX 0.00414 0.01154 0.00268 0.00000 0.00268 31 2PY 0.00050 0.00234 -0.00004 -0.00000 -0.00027 32 2PZ 0.00000 0.00000 -0.00000 0.00067 -0.00000 33 3S 0.01009 0.03260 0.00639 0.00000 0.00018 34 3PX 0.02569 0.04135 0.01100 0.00000 0.01347 35 3PY 0.00300 0.00943 -0.00068 -0.00000 -0.00115 36 3PZ 0.00000 0.00000 -0.00000 0.00455 -0.00000 37 4S 0.01164 0.02074 0.00482 0.00000 -0.01077 38 4PX 0.02124 0.00885 0.00442 0.00000 0.00895 39 4PY 0.00035 0.00186 -0.00287 -0.00000 -0.00248 40 4PZ 0.00000 0.00000 -0.00000 0.00272 -0.00000 41 5S -0.02517 0.00216 0.00002 0.00000 -0.04026 42 5PX -0.00623 -0.00053 -0.00000 -0.00000 -0.00948 43 5PY -0.00152 -0.00012 -0.00031 -0.00000 -0.00207 44 5PZ -0.00000 0.00000 -0.00000 -0.00039 -0.00000 45 6D 0 0.00010 0.00012 0.00002 0.00000 0.00003 46 6D+1 0.00000 0.00000 -0.00000 0.00031 0.00000 47 6D-1 -0.00000 -0.00000 -0.00000 0.00008 0.00000 48 6D+2 0.00031 0.00024 0.00057 0.00000 0.00001 49 6D-2 0.00034 0.00067 0.00001 0.00000 0.00008 50 7D 0 0.00097 0.00002 0.00008 0.00000 0.00040 51 7D+1 0.00000 0.00000 0.00000 0.00322 0.00000 52 7D-1 -0.00000 -0.00000 0.00000 0.00146 -0.00000 53 7D+2 0.00195 -0.00001 0.00473 0.00000 0.00028 54 7D-2 0.00228 0.00297 0.00197 0.00000 0.00038 55 3 O 1S 0.00000 0.00000 0.00000 0.00000 -0.00008 56 2S 0.00000 0.00000 0.00000 0.00000 -0.00010 57 2PX -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 58 2PY -0.00000 -0.00001 -0.00001 -0.00000 0.00004 59 2PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 60 3S -0.00005 -0.00007 -0.00018 -0.00000 0.00132 61 3PX -0.00009 -0.00008 -0.00021 -0.00000 -0.00005 62 3PY -0.00003 -0.00012 -0.00012 -0.00000 0.00030 63 3PZ -0.00000 -0.00000 -0.00000 -0.00004 0.00000 64 4S -0.00078 -0.00081 -0.00135 -0.00000 0.00276 65 4PX -0.00172 -0.00077 -0.00229 -0.00000 -0.00041 66 4PY -0.00027 -0.00100 -0.00023 -0.00000 0.00059 67 4PZ -0.00000 -0.00000 -0.00000 -0.00059 0.00000 68 5S -0.00192 -0.00146 -0.00001 -0.00000 -0.00395 69 5PX -0.00162 -0.00019 -0.00162 -0.00000 0.00146 70 5PY -0.00074 -0.00083 -0.00053 -0.00000 0.00075 71 5PZ -0.00000 -0.00000 -0.00000 -0.00109 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 0.00002 0.00002 0.00005 0.00000 0.00002 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 -0.00001 -0.00005 -0.00000 -0.00000 -0.00003 81 7D-2 0.00006 0.00020 0.00011 0.00000 0.00002 82 4 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 -0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00001 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00000 0.00000 0.00000 0.00000 0.00001 88 3PX 0.00000 0.00000 0.00000 0.00000 -0.00002 89 3PY 0.00000 0.00000 0.00000 0.00000 0.00007 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4S -0.00000 0.00000 0.00000 0.00000 0.00004 92 4PX 0.00001 0.00003 0.00004 0.00000 -0.00022 93 4PY 0.00001 0.00005 0.00001 0.00000 0.00062 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S -0.00011 -0.00017 -0.00028 -0.00000 0.00065 96 5PX 0.00015 0.00004 -0.00004 -0.00000 0.00019 97 5PY 0.00020 0.00040 0.00005 0.00000 0.00116 98 5PZ 0.00000 0.00000 0.00000 0.00012 0.00000 99 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 101 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 106 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00001 109 5 H 1S -0.00003 -0.00014 0.00000 0.00000 -0.00105 110 2S -0.00095 -0.00217 0.00001 0.00000 -0.00514 111 3S -0.00143 -0.00400 -0.00000 -0.00000 -0.00148 112 4PX -0.00001 0.00008 0.00000 0.00000 -0.00027 113 4PY -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 114 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 115 6 H 1S 0.01392 0.00060 0.01350 0.02592 0.01304 116 2S 0.03926 0.00091 0.02430 0.04893 0.03512 117 3S -0.00329 0.00010 0.00385 0.00851 -0.00128 118 4PX 0.00009 0.00159 0.00010 0.00015 0.00001 119 4PY 0.00201 0.00005 0.00003 0.00288 0.00067 120 4PZ 0.00384 0.00008 0.00271 0.00090 0.00140 121 7 H 1S 0.01392 0.00060 0.01350 0.02592 0.01304 122 2S 0.03926 0.00091 0.02430 0.04893 0.03512 123 3S -0.00329 0.00010 0.00385 0.00851 -0.00128 124 4PX 0.00009 0.00159 0.00010 0.00015 0.00001 125 4PY 0.00201 0.00005 0.00003 0.00288 0.00067 126 4PZ 0.00384 0.00008 0.00271 0.00090 0.00140 127 8 H 1S 0.01457 0.01935 0.02161 0.00000 0.01347 128 2S 0.04037 0.03496 0.03904 0.00000 0.03676 129 3S -0.00279 0.00477 0.00590 0.00000 -0.00263 130 4PX 0.00278 0.00015 0.00332 0.00000 0.00095 131 4PY 0.00329 0.00288 0.00029 0.00000 0.00123 132 4PZ 0.00000 0.00000 0.00000 0.00193 0.00000 11 12 13 14 15 11 4PX 0.06789 12 4PY 0.00000 0.07936 13 4PZ 0.00000 0.00000 0.07052 14 5S 0.00000 0.00000 0.00000 0.22317 15 5PX 0.00157 0.00000 -0.00000 0.00000 0.01058 16 5PY 0.00000 0.00387 0.00000 0.00000 -0.00000 17 5PZ -0.00000 0.00000 0.00363 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 -0.00133 -0.00043 -0.00000 0.00051 0.00016 29 2S -0.00240 -0.00073 -0.00000 0.00088 0.00028 30 2PX 0.00333 0.00119 0.00000 0.00014 -0.00007 31 2PY 0.00078 -0.00023 -0.00000 0.00025 0.00006 32 2PZ 0.00000 -0.00000 0.00124 0.00000 -0.00000 33 3S 0.02578 0.00730 0.00000 -0.01427 -0.00386 34 3PX 0.01080 0.00509 0.00000 0.00115 -0.00051 35 3PY 0.00343 -0.00104 -0.00000 0.00128 0.00029 36 3PZ 0.00000 -0.00000 0.00685 0.00000 -0.00000 37 4S 0.01593 0.00637 0.00000 -0.01710 -0.00358 38 4PX -0.00079 0.00357 0.00000 -0.00672 0.00095 39 4PY 0.00010 -0.00486 -0.00000 -0.00134 -0.00032 40 4PZ -0.00000 -0.00000 0.00616 -0.00000 0.00000 41 5S 0.00078 0.00064 0.00000 -0.18217 -0.02113 42 5PX 0.00009 0.00013 -0.00000 -0.03566 0.01003 43 5PY -0.00036 -0.00092 -0.00000 -0.00359 -0.00045 44 5PZ 0.00000 -0.00000 -0.00049 -0.00000 0.00000 45 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 46 6D+1 0.00000 -0.00000 0.00016 -0.00000 -0.00000 47 6D-1 -0.00000 -0.00000 0.00003 -0.00000 -0.00000 48 6D+2 -0.00002 0.00017 0.00000 0.00001 -0.00001 49 6D-2 0.00006 0.00002 0.00000 -0.00001 0.00000 50 7D 0 -0.00003 -0.00002 0.00000 0.00014 -0.00007 51 7D+1 0.00000 0.00000 0.00197 -0.00000 -0.00000 52 7D-1 0.00000 -0.00000 0.00082 -0.00000 0.00000 53 7D+2 0.00025 0.00225 0.00000 0.00010 -0.00006 54 7D-2 0.00033 0.00163 0.00000 -0.00019 0.00003 55 3 O 1S -0.00004 0.00001 0.00000 0.00053 0.00016 56 2S -0.00004 0.00006 0.00000 0.00078 0.00023 57 2PX 0.00003 -0.00027 -0.00000 0.00036 -0.00004 58 2PY -0.00007 -0.00006 -0.00000 -0.00013 -0.00004 59 2PZ -0.00000 -0.00000 -0.00004 -0.00000 -0.00000 60 3S 0.00028 -0.00191 -0.00000 -0.01172 -0.00327 61 3PX 0.00019 -0.00181 -0.00000 0.00245 -0.00032 62 3PY -0.00045 -0.00042 -0.00000 -0.00085 -0.00025 63 3PZ -0.00000 -0.00000 -0.00026 -0.00000 -0.00000 64 4S -0.00018 -0.00339 -0.00000 -0.02036 -0.00511 65 4PX 0.00011 -0.00546 -0.00000 0.00826 -0.00130 66 4PY -0.00162 -0.00008 -0.00000 -0.00334 -0.00082 67 4PZ -0.00000 -0.00000 -0.00097 -0.00000 -0.00000 68 5S -0.00335 -0.00017 -0.00000 0.00157 0.00037 69 5PX 0.00009 -0.00253 -0.00000 0.01364 -0.00254 70 5PY -0.00062 -0.00037 -0.00000 0.00136 0.00021 71 5PZ -0.00000 -0.00000 -0.00220 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 0.00001 0.00001 0.00000 -0.00000 0.00000 77 7D 0 0.00001 0.00007 0.00000 -0.00003 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.00000 -0.00000 79 7D-1 -0.00000 -0.00000 0.00005 -0.00000 -0.00000 80 7D+2 -0.00016 0.00005 0.00000 -0.00003 -0.00006 81 7D-2 0.00016 0.00010 0.00000 -0.00015 0.00002 82 4 O 1S -0.00000 -0.00000 -0.00000 -0.00016 -0.00009 83 2S -0.00000 -0.00000 -0.00000 -0.00024 -0.00013 84 2PX -0.00000 0.00001 0.00000 -0.00039 -0.00011 85 2PY 0.00002 0.00000 0.00000 0.00041 0.00019 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00005 0.00002 0.00000 0.00377 0.00194 88 3PX -0.00004 0.00013 0.00000 -0.00273 -0.00072 89 3PY 0.00021 0.00002 0.00000 0.00277 0.00124 90 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 91 4S 0.00023 -0.00005 -0.00000 0.01155 0.00527 92 4PX -0.00034 0.00072 0.00000 -0.00968 -0.00206 93 4PY 0.00156 0.00009 0.00000 0.01259 0.00508 94 4PZ 0.00000 0.00000 0.00005 0.00000 0.00000 95 5S 0.00031 -0.00105 -0.00000 0.01258 0.00383 96 5PX -0.00002 -0.00003 -0.00000 -0.00293 -0.00037 97 5PY 0.00195 0.00003 0.00000 0.01109 0.00347 98 5PZ 0.00000 0.00000 0.00031 0.00000 0.00000 99 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 100 6D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 102 6D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 104 7D 0 -0.00000 0.00000 0.00000 -0.00002 -0.00000 105 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.00000 -0.00000 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 -0.00002 0.00002 108 7D-2 0.00001 0.00001 0.00000 0.00001 0.00000 109 5 H 1S -0.00282 0.00000 0.00000 0.00103 -0.00001 110 2S -0.01031 0.00002 0.00000 0.00254 -0.00041 111 3S -0.00760 -0.00001 -0.00000 0.01279 0.00288 112 4PX -0.00008 -0.00000 0.00000 -0.00012 -0.00002 113 4PY -0.00000 -0.00005 -0.00000 0.00000 0.00000 114 4PZ -0.00000 -0.00000 0.00004 0.00000 0.00000 115 6 H 1S 0.00033 0.00924 0.01640 0.00397 -0.00010 116 2S 0.00065 0.02180 0.04056 0.01169 -0.00028 117 3S 0.00003 0.00549 0.01126 -0.00364 0.00003 118 4PX 0.00106 0.00003 0.00004 -0.00000 0.00001 119 4PY 0.00002 0.00009 0.00080 0.00007 -0.00000 120 4PZ 0.00002 0.00082 -0.00032 0.00015 -0.00000 121 7 H 1S 0.00033 0.00924 0.01640 0.00397 -0.00010 122 2S 0.00065 0.02180 0.04056 0.01169 -0.00028 123 3S 0.00003 0.00549 0.01126 -0.00364 0.00003 124 4PX 0.00106 0.00003 0.00004 -0.00000 0.00001 125 4PY 0.00002 0.00009 0.00080 0.00007 -0.00000 126 4PZ 0.00002 0.00082 -0.00032 0.00015 -0.00000 127 8 H 1S 0.01338 0.01444 0.00000 0.00578 -0.00029 128 2S 0.03163 0.03460 0.00000 0.02042 -0.00094 129 3S 0.00716 0.00880 0.00000 0.00289 0.00025 130 4PX -0.00034 0.00094 0.00000 0.00016 0.00006 131 4PY 0.00086 -0.00032 -0.00000 0.00013 -0.00001 132 4PZ 0.00000 -0.00000 0.00129 0.00000 -0.00000 16 17 18 19 20 16 5PY 0.00405 17 5PZ 0.00000 0.00050 18 6D 0 0.00000 0.00000 0.00033 19 6D+1 0.00000 0.00000 0.00000 0.00007 20 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00042 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 0.00010 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00010 -0.00000 25 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00008 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 0.00001 0.00000 -0.00000 -0.00000 0.00000 29 2S 0.00001 0.00000 -0.00000 -0.00000 0.00000 30 2PX -0.00001 0.00000 0.00008 0.00000 -0.00000 31 2PY -0.00008 -0.00000 0.00001 -0.00000 -0.00000 32 2PZ -0.00000 0.00003 0.00000 0.00003 0.00001 33 3S -0.00016 -0.00000 0.00025 0.00000 -0.00000 34 3PX -0.00001 0.00000 0.00027 0.00000 -0.00000 35 3PY -0.00038 -0.00000 0.00005 -0.00000 -0.00000 36 3PZ -0.00000 0.00020 0.00000 0.00025 0.00005 37 4S 0.00011 0.00000 0.00007 0.00000 -0.00000 38 4PX -0.00035 0.00000 0.00000 0.00000 -0.00000 39 4PY 0.00060 0.00000 0.00000 -0.00000 -0.00000 40 4PZ 0.00000 0.00042 0.00000 0.00017 0.00005 41 5S -0.00497 -0.00000 0.00000 0.00000 -0.00000 42 5PX -0.00095 0.00000 0.00000 0.00000 -0.00000 43 5PY 0.00091 0.00000 -0.00000 -0.00000 -0.00000 44 5PZ 0.00000 -0.00016 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 -0.00001 47 6D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 48 6D+2 0.00000 0.00000 0.00001 -0.00000 -0.00000 49 6D-2 0.00001 0.00000 -0.00000 0.00000 -0.00000 50 7D 0 -0.00002 0.00000 0.00001 -0.00000 -0.00000 51 7D+1 0.00000 0.00005 -0.00000 -0.00000 -0.00004 52 7D-1 -0.00000 0.00003 -0.00000 -0.00002 0.00002 53 7D+2 0.00006 0.00000 -0.00000 -0.00000 0.00000 54 7D-2 0.00015 0.00000 0.00000 0.00000 -0.00000 55 3 O 1S 0.00014 0.00000 0.00000 -0.00000 -0.00000 56 2S 0.00022 0.00000 0.00000 -0.00000 -0.00000 57 2PX 0.00005 0.00000 -0.00000 -0.00000 0.00000 58 2PY 0.00000 0.00000 -0.00000 0.00000 0.00000 59 2PZ 0.00000 -0.00003 0.00000 0.00000 0.00000 60 3S -0.00318 -0.00000 -0.00000 0.00000 0.00000 61 3PX 0.00034 0.00000 -0.00000 -0.00000 0.00000 62 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 63 3PZ -0.00000 -0.00022 0.00000 0.00000 0.00000 64 4S -0.00528 -0.00000 -0.00001 -0.00000 0.00000 65 4PX 0.00083 0.00000 -0.00001 -0.00000 0.00000 66 4PY -0.00000 -0.00000 -0.00001 0.00000 0.00000 67 4PZ -0.00000 -0.00070 0.00000 0.00002 0.00003 68 5S 0.00038 0.00000 -0.00000 -0.00000 0.00000 69 5PX 0.00138 0.00000 -0.00000 -0.00000 0.00000 70 5PY -0.00001 -0.00000 -0.00000 -0.00000 0.00000 71 5PZ -0.00000 -0.00029 0.00000 0.00000 0.00001 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 0.00001 0.00000 0.00000 0.00000 79 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00002 0.00000 -0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 82 4 O 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 83 2S 0.00000 0.00000 0.00000 0.00000 0.00000 84 2PX -0.00009 -0.00000 0.00000 0.00000 -0.00000 85 2PY 0.00004 0.00000 0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 87 3S 0.00001 0.00000 0.00000 0.00000 0.00000 88 3PX -0.00059 -0.00000 0.00000 0.00000 -0.00000 89 3PY 0.00024 0.00000 0.00000 -0.00000 -0.00000 90 3PZ 0.00000 -0.00004 -0.00000 -0.00000 -0.00000 91 4S 0.00065 0.00000 0.00000 0.00000 0.00000 92 4PX -0.00183 -0.00000 0.00000 0.00000 0.00000 93 4PY 0.00079 0.00000 0.00000 -0.00000 -0.00000 94 4PZ 0.00000 -0.00017 -0.00000 -0.00000 -0.00000 95 5S 0.00172 0.00000 -0.00000 -0.00000 0.00000 96 5PX -0.00039 -0.00000 -0.00000 0.00000 0.00000 97 5PY 0.00019 0.00000 0.00000 0.00000 -0.00000 98 5PZ 0.00000 -0.00005 -0.00000 -0.00000 -0.00000 99 6D 0 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 100 6D+1 -0.00000 -0.00000 0.00000 -0.00000 0.00000 101 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 102 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 103 6D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 104 7D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 105 7D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 7D-1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 7D+2 -0.00002 -0.00000 0.00000 -0.00000 -0.00000 108 7D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 109 5 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 110 2S -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 111 3S -0.00002 -0.00000 -0.00000 -0.00000 0.00000 112 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 113 4PY 0.00002 0.00000 -0.00000 -0.00000 0.00000 114 4PZ 0.00000 0.00000 -0.00000 0.00000 -0.00000 115 6 H 1S 0.00015 0.00052 0.00024 0.00002 0.00068 116 2S 0.00057 0.00174 0.00022 0.00002 0.00066 117 3S 0.00055 0.00085 0.00001 0.00000 0.00004 118 4PX 0.00000 0.00000 0.00000 -0.00000 0.00001 119 4PY 0.00002 0.00001 -0.00001 0.00000 0.00003 120 4PZ 0.00000 -0.00003 -0.00000 0.00000 0.00005 121 7 H 1S 0.00015 0.00052 0.00024 0.00002 0.00068 122 2S 0.00057 0.00174 0.00022 0.00002 0.00066 123 3S 0.00055 0.00085 0.00001 0.00000 0.00004 124 4PX 0.00000 0.00000 0.00000 -0.00000 0.00001 125 4PY 0.00002 0.00001 -0.00001 0.00000 0.00003 126 4PZ 0.00000 -0.00003 -0.00000 0.00000 0.00005 127 8 H 1S 0.00093 0.00000 0.00026 0.00000 0.00000 128 2S 0.00307 0.00000 0.00023 0.00000 0.00000 129 3S 0.00103 0.00000 0.00001 -0.00000 0.00000 130 4PX 0.00002 0.00000 0.00003 0.00000 0.00000 131 4PY -0.00006 -0.00000 0.00001 0.00000 0.00000 132 4PZ -0.00000 0.00004 -0.00000 0.00000 -0.00005 21 22 23 24 25 21 6D+2 0.00025 22 6D-2 -0.00000 0.00042 23 7D 0 0.00000 -0.00000 0.00030 24 7D+1 0.00000 0.00000 0.00000 0.00080 25 7D-1 0.00000 -0.00000 0.00000 -0.00000 0.00014 26 7D+2 0.00012 -0.00000 0.00000 0.00000 0.00000 27 7D-2 -0.00000 0.00018 -0.00000 0.00000 0.00000 28 2 C 1S -0.00001 -0.00000 -0.00019 -0.00000 0.00000 29 2S -0.00001 -0.00000 -0.00027 -0.00000 0.00000 30 2PX 0.00008 0.00018 0.00017 0.00000 -0.00000 31 2PY 0.00006 0.00000 0.00011 0.00000 0.00000 32 2PZ 0.00000 -0.00000 0.00000 0.00103 0.00010 33 3S 0.00039 0.00032 0.00114 0.00000 -0.00000 34 3PX 0.00025 0.00073 0.00031 0.00000 -0.00000 35 3PY 0.00032 -0.00000 0.00019 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00415 0.00042 37 4S 0.00013 0.00007 0.00057 0.00000 -0.00000 38 4PX -0.00004 0.00006 -0.00010 0.00000 -0.00000 39 4PY 0.00007 0.00002 -0.00004 0.00000 -0.00000 40 4PZ 0.00000 0.00000 0.00000 0.00320 0.00043 41 5S 0.00000 0.00000 0.00003 0.00000 0.00000 42 5PX -0.00000 -0.00000 -0.00002 0.00000 0.00000 43 5PY 0.00000 0.00000 -0.00000 0.00000 0.00000 44 5PZ -0.00000 0.00000 0.00000 0.00009 0.00001 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 -0.00004 0.00000 48 6D+2 0.00001 -0.00000 -0.00000 -0.00000 -0.00000 49 6D-2 0.00001 0.00001 -0.00000 -0.00000 -0.00000 50 7D 0 0.00000 -0.00000 -0.00002 -0.00000 -0.00000 51 7D+1 0.00000 -0.00000 0.00000 0.00005 -0.00002 52 7D-1 -0.00000 -0.00000 -0.00000 -0.00017 0.00004 53 7D+2 -0.00002 -0.00004 -0.00006 -0.00000 -0.00000 54 7D-2 0.00003 -0.00004 -0.00003 -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 -0.00001 -0.00000 -0.00000 58 2PY 0.00000 0.00000 -0.00002 0.00000 0.00000 59 2PZ 0.00000 0.00000 -0.00000 0.00002 0.00000 60 3S 0.00000 0.00000 -0.00012 0.00000 0.00000 61 3PX 0.00000 0.00000 -0.00009 -0.00000 -0.00000 62 3PY 0.00000 0.00000 -0.00014 0.00000 0.00000 63 3PZ 0.00000 0.00000 -0.00000 0.00017 0.00003 64 4S 0.00000 -0.00001 -0.00020 0.00000 -0.00000 65 4PX 0.00002 0.00000 -0.00019 -0.00000 -0.00000 66 4PY -0.00000 0.00003 -0.00019 0.00000 0.00000 67 4PZ 0.00000 0.00000 -0.00000 0.00068 0.00010 68 5S 0.00000 -0.00001 0.00000 -0.00000 0.00000 69 5PX 0.00001 -0.00000 -0.00002 -0.00000 -0.00000 70 5PY -0.00000 -0.00000 -0.00001 -0.00000 0.00000 71 5PZ -0.00000 -0.00000 -0.00000 -0.00002 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 0.00002 0.00002 79 7D-1 -0.00000 0.00000 0.00000 0.00007 0.00002 80 7D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 81 7D-2 -0.00000 0.00000 0.00002 -0.00000 -0.00000 82 4 O 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 83 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 84 2PX 0.00000 -0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 86 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 87 3S 0.00000 0.00000 0.00000 0.00000 0.00000 88 3PX 0.00000 -0.00000 0.00000 0.00000 0.00000 89 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 90 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 91 4S -0.00000 0.00000 0.00000 0.00000 0.00000 92 4PX 0.00000 0.00000 0.00002 0.00000 0.00000 93 4PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 94 4PZ 0.00000 0.00000 -0.00000 -0.00004 -0.00002 95 5S -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 96 5PX -0.00000 -0.00000 0.00000 0.00000 0.00000 97 5PY 0.00000 0.00000 -0.00001 -0.00000 -0.00000 98 5PZ 0.00000 0.00000 -0.00000 -0.00010 -0.00004 99 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 100 6D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 102 6D+2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 -0.00000 0.00000 -0.00000 0.00000 105 7D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 106 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 107 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 109 5 H 1S 0.00000 0.00000 0.00003 0.00000 -0.00000 110 2S 0.00001 0.00000 0.00012 -0.00000 -0.00000 111 3S -0.00001 0.00000 -0.00002 -0.00000 -0.00000 112 4PX 0.00000 0.00000 0.00003 -0.00000 -0.00000 113 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 114 4PZ 0.00000 -0.00000 -0.00000 0.00002 -0.00000 115 6 H 1S 0.00008 0.00001 0.00033 -0.00002 0.00058 116 2S 0.00007 0.00001 0.00039 0.00003 0.00080 117 3S 0.00000 0.00000 0.00005 0.00004 0.00014 118 4PX -0.00001 -0.00004 -0.00001 0.00000 0.00000 119 4PY -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 120 4PZ 0.00002 0.00000 -0.00005 -0.00000 0.00001 121 7 H 1S 0.00008 0.00001 0.00033 -0.00002 0.00058 122 2S 0.00007 0.00001 0.00039 0.00003 0.00080 123 3S 0.00000 0.00000 0.00005 0.00004 0.00014 124 4PX -0.00001 -0.00004 -0.00001 0.00000 0.00000 125 4PY -0.00000 -0.00000 -0.00002 -0.00000 -0.00002 126 4PZ 0.00002 0.00000 -0.00005 -0.00000 0.00001 127 8 H 1S 0.00000 0.00077 0.00011 0.00000 -0.00000 128 2S 0.00000 0.00069 0.00011 0.00000 -0.00000 129 3S 0.00000 0.00003 0.00002 -0.00000 -0.00000 130 4PX -0.00002 0.00003 -0.00000 -0.00000 -0.00000 131 4PY -0.00003 0.00007 0.00000 -0.00000 -0.00000 132 4PZ 0.00000 -0.00000 -0.00000 -0.00004 -0.00004 26 27 28 29 30 26 7D+2 0.00040 27 7D-2 -0.00000 0.00058 28 2 C 1S -0.00021 -0.00021 0.65922 29 2S -0.00036 -0.00034 0.49293 0.49096 30 2PX 0.00010 0.00071 0.00000 0.00000 0.09620 31 2PY 0.00051 0.00017 0.00000 0.00000 0.00000 32 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 33 3S 0.00224 0.00212 -0.02821 -0.06323 0.00000 34 3PX 0.00004 0.00167 0.00000 0.00000 0.08637 35 3PY 0.00158 0.00086 0.00000 0.00000 0.00000 36 3PZ 0.00000 0.00000 0.00000 0.00000 0.00000 37 4S 0.00086 0.00033 -0.00935 -0.01784 0.00000 38 4PX -0.00013 0.00018 0.00000 0.00000 0.01436 39 4PY 0.00048 0.00045 0.00000 0.00000 0.00000 40 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 41 5S -0.00004 0.00007 -0.00099 -0.00162 0.00000 42 5PX 0.00006 -0.00002 0.00000 0.00000 0.00012 43 5PY -0.00000 0.00002 0.00000 0.00000 0.00000 44 5PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 45 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 46 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 48 6D+2 -0.00003 -0.00004 -0.00000 -0.00000 0.00000 49 6D-2 -0.00002 -0.00003 0.00000 0.00000 0.00000 50 7D 0 -0.00001 -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 -0.00011 -0.00011 0.00000 0.00000 0.00000 54 7D-2 -0.00009 -0.00016 0.00000 0.00000 0.00000 55 3 O 1S -0.00000 -0.00001 0.00000 -0.00000 -0.00000 56 2S -0.00000 -0.00001 0.00000 -0.00000 -0.00000 57 2PX -0.00001 -0.00001 0.00000 0.00000 0.00002 58 2PY 0.00000 0.00007 -0.00002 -0.00000 0.00003 59 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 60 3S 0.00003 0.00021 -0.00008 -0.00011 0.00008 61 3PX -0.00011 -0.00011 0.00000 0.00001 0.00043 62 3PY -0.00001 0.00052 -0.00105 -0.00168 0.00035 63 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 64 4S 0.00002 -0.00002 -0.00031 0.00019 0.00007 65 4PX -0.00033 -0.00027 0.00003 0.00007 0.00034 66 4PY -0.00011 0.00085 -0.00339 -0.00566 0.00025 67 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 68 5S 0.00000 -0.00013 0.00044 0.00057 0.00007 69 5PX -0.00006 -0.00002 0.00008 0.00015 -0.00096 70 5PY -0.00006 -0.00002 0.00088 0.00128 0.00003 71 5PZ -0.00000 -0.00000 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 0.00001 76 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00002 77 7D 0 0.00000 0.00002 -0.00017 -0.00023 -0.00001 78 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 80 7D+2 -0.00001 0.00001 -0.00050 -0.00078 0.00020 81 7D-2 -0.00001 0.00004 -0.00001 -0.00001 0.00106 82 4 O 1S 0.00000 -0.00000 -0.00000 0.00000 0.00000 83 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 84 2PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 85 2PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 86 2PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 87 3S -0.00000 0.00000 0.00000 0.00000 -0.00000 88 3PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 89 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 90 3PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 91 4S -0.00000 0.00002 -0.00000 -0.00001 -0.00012 92 4PX -0.00000 0.00003 -0.00002 -0.00004 -0.00002 93 4PY 0.00001 -0.00003 0.00013 0.00023 -0.00043 94 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 -0.00008 0.00019 0.00033 0.00015 96 5PX 0.00000 -0.00001 0.00002 0.00004 0.00000 97 5PY 0.00004 -0.00004 0.00009 0.00023 -0.00029 98 5PZ 0.00000 -0.00000 0.00000 0.00000 -0.00000 99 6D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 100 6D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00000 101 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 102 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 103 6D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 105 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 -0.00000 -0.00000 0.00000 107 7D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 108 7D-2 -0.00000 0.00000 0.00000 0.00000 0.00000 109 5 H 1S 0.00013 0.00000 -0.00026 -0.00037 0.00574 110 2S 0.00051 0.00002 -0.00266 -0.00454 0.01368 111 3S 0.00010 0.00001 0.00042 0.00057 0.00132 112 4PX 0.00006 0.00000 -0.00048 -0.00076 0.00116 113 4PY 0.00000 -0.00001 -0.00017 -0.00026 0.00106 114 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 115 6 H 1S 0.00021 -0.00000 0.00000 0.00000 -0.00000 116 2S 0.00025 -0.00000 0.00001 0.00002 -0.00010 117 3S 0.00003 0.00000 0.00006 0.00012 -0.00023 118 4PX -0.00001 -0.00007 -0.00000 -0.00000 0.00001 119 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 120 4PZ 0.00003 0.00000 0.00000 0.00000 -0.00000 121 7 H 1S 0.00021 -0.00000 0.00000 0.00000 -0.00000 122 2S 0.00025 -0.00000 0.00001 0.00002 -0.00010 123 3S 0.00003 0.00000 0.00006 0.00012 -0.00023 124 4PX -0.00001 -0.00007 -0.00000 -0.00000 0.00001 125 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 126 4PZ 0.00003 0.00000 0.00000 0.00000 -0.00000 127 8 H 1S -0.00001 0.00109 0.00000 0.00000 -0.00000 128 2S -0.00001 0.00138 0.00001 0.00001 -0.00024 129 3S -0.00000 0.00015 0.00001 0.00003 -0.00051 130 4PX -0.00008 -0.00000 -0.00000 -0.00000 0.00001 131 4PY -0.00004 -0.00000 0.00000 0.00000 -0.00000 132 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 31 32 33 34 35 31 2PY 0.08227 32 2PZ 0.00000 0.06609 33 3S 0.00000 0.00000 0.46970 34 3PX 0.00000 0.00000 0.00000 0.19631 35 3PY 0.07034 0.00000 0.00000 -0.00000 0.15279 36 3PZ 0.00000 0.06339 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.20573 0.00000 0.00000 38 4PX -0.00000 0.00000 0.00000 0.06051 -0.00000 39 4PY 0.00933 0.00000 0.00000 0.00000 0.03814 40 4PZ 0.00000 0.01779 0.00000 0.00000 0.00000 41 5S 0.00000 0.00000 0.02264 0.00000 0.00000 42 5PX 0.00000 -0.00000 0.00000 0.00026 0.00000 43 5PY -0.00007 -0.00000 0.00000 0.00000 -0.00042 44 5PZ -0.00000 0.00054 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 -0.00004 -0.00000 -0.00015 -0.00001 -0.00091 56 2S -0.00004 -0.00000 -0.00023 -0.00002 -0.00155 57 2PX 0.00000 -0.00000 -0.00007 0.00046 -0.00009 58 2PY 0.00215 0.00000 0.00627 0.00025 0.01516 59 2PZ 0.00000 0.00018 0.00000 -0.00000 0.00000 60 3S 0.00525 0.00000 0.00375 0.00045 0.02540 61 3PX 0.00005 -0.00000 -0.00037 0.00288 -0.00040 62 3PY 0.02234 0.00000 0.03862 0.00117 0.06506 63 3PZ 0.00000 0.00344 0.00000 -0.00000 0.00000 64 4S 0.00166 0.00000 -0.01903 0.00031 -0.00003 65 4PX -0.00012 -0.00000 -0.00130 0.00166 -0.00092 66 4PY 0.01178 0.00000 0.04915 0.00084 0.03109 67 4PZ 0.00000 0.00874 0.00000 0.00000 0.00000 68 5S -0.00019 -0.00000 -0.00319 0.00037 -0.00060 69 5PX -0.00012 0.00000 -0.00185 -0.00462 -0.00058 70 5PY -0.00001 -0.00000 -0.01051 0.00013 -0.00006 71 5PZ -0.00000 -0.00013 -0.00000 -0.00000 -0.00000 72 6D 0 0.00005 0.00000 0.00008 0.00000 0.00011 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 0.00016 0.00000 0.00025 0.00003 0.00034 76 6D-2 0.00000 -0.00000 0.00000 0.00013 0.00000 77 7D 0 0.00028 0.00000 0.00090 -0.00001 0.00032 78 7D+1 -0.00000 0.00007 -0.00000 0.00000 -0.00000 79 7D-1 0.00000 0.00199 0.00000 -0.00000 0.00000 80 7D+2 0.00169 0.00000 0.00390 0.00047 0.00169 81 7D-2 -0.00011 -0.00000 -0.00002 0.00330 -0.00023 82 4 O 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 83 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 84 2PX -0.00000 0.00000 0.00000 -0.00000 -0.00002 85 2PY -0.00000 -0.00000 -0.00002 -0.00003 -0.00004 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 87 3S 0.00000 0.00000 -0.00000 -0.00016 0.00007 88 3PX -0.00000 0.00000 0.00004 -0.00002 -0.00025 89 3PY -0.00001 -0.00000 -0.00045 -0.00046 -0.00054 90 3PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00000 91 4S 0.00013 0.00000 0.00057 -0.00101 0.00146 92 4PX -0.00007 0.00000 0.00149 0.00003 -0.00033 93 4PY -0.00069 -0.00000 -0.00661 -0.00354 -0.00390 94 4PZ -0.00000 -0.00058 -0.00000 0.00000 -0.00000 95 5S -0.00030 -0.00000 -0.00595 0.00069 -0.00197 96 5PX -0.00009 0.00000 -0.00054 0.00000 -0.00053 97 5PY -0.00023 -0.00000 -0.00526 -0.00177 -0.00102 98 5PZ -0.00000 -0.00071 -0.00000 -0.00000 -0.00000 99 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 104 7D 0 -0.00000 -0.00000 -0.00001 0.00004 -0.00001 105 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00001 -0.00000 0.00000 108 7D-2 0.00001 0.00000 0.00000 0.00001 0.00015 109 5 H 1S 0.00251 0.00000 0.01729 0.02867 0.01204 110 2S 0.00589 0.00000 0.05147 0.05298 0.02188 111 3S 0.00063 0.00000 -0.00526 0.00650 0.00301 112 4PX 0.00127 0.00000 0.00584 0.00170 0.00285 113 4PY 0.00002 0.00000 0.00188 0.00248 -0.00008 114 4PZ 0.00000 0.00045 0.00000 0.00000 -0.00000 115 6 H 1S -0.00000 0.00000 -0.00006 -0.00008 -0.00003 116 2S -0.00004 -0.00002 -0.00112 -0.00099 -0.00033 117 3S -0.00019 -0.00030 -0.00193 -0.00134 -0.00102 118 4PX 0.00000 0.00000 0.00006 0.00014 0.00006 119 4PY 0.00000 0.00000 0.00001 0.00005 0.00001 120 4PZ -0.00000 0.00000 -0.00002 -0.00001 -0.00001 121 7 H 1S -0.00000 0.00000 -0.00006 -0.00008 -0.00003 122 2S -0.00004 -0.00002 -0.00112 -0.00099 -0.00033 123 3S -0.00019 -0.00030 -0.00193 -0.00134 -0.00102 124 4PX 0.00000 0.00000 0.00006 0.00014 0.00006 125 4PY 0.00000 0.00000 0.00001 0.00005 0.00001 126 4PZ -0.00000 0.00000 -0.00002 -0.00001 -0.00001 127 8 H 1S 0.00000 0.00000 -0.00004 -0.00018 0.00001 128 2S 0.00001 0.00000 -0.00072 -0.00237 0.00007 129 3S -0.00001 -0.00000 -0.00085 -0.00293 -0.00007 130 4PX -0.00000 -0.00000 0.00006 0.00027 -0.00000 131 4PY -0.00000 -0.00000 -0.00001 -0.00002 -0.00001 132 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 36 37 38 39 40 36 3PZ 0.15365 37 4S 0.00000 0.19886 38 4PX 0.00000 0.00000 0.05355 39 4PY 0.00000 0.00000 0.00000 0.03081 40 4PZ 0.08066 0.00000 0.00000 0.00000 0.10640 41 5S 0.00000 0.02201 0.00000 0.00000 0.00000 42 5PX -0.00000 0.00000 0.00758 -0.00000 0.00000 43 5PY -0.00000 0.00000 0.00000 0.00111 0.00000 44 5PZ 0.00323 0.00000 0.00000 0.00000 0.00753 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 0.00197 -0.00010 0.00061 0.00000 56 2S -0.00000 0.00290 -0.00014 0.00079 0.00000 57 2PX -0.00000 -0.00010 -0.00109 0.00005 0.00000 58 2PY 0.00000 0.00164 0.00002 0.00118 0.00000 59 2PZ 0.00359 0.00000 0.00000 0.00000 0.00317 60 3S 0.00000 -0.04104 0.00166 -0.00679 -0.00000 61 3PX -0.00000 -0.00053 -0.00651 0.00033 0.00000 62 3PY 0.00000 0.00930 0.00011 0.00504 0.00000 63 3PZ 0.02262 0.00000 0.00000 0.00000 0.01890 64 4S -0.00000 -0.07940 0.00221 -0.02173 -0.00000 65 4PX 0.00000 -0.00162 -0.01707 0.00023 0.00000 66 4PY 0.00000 0.01560 -0.00010 0.00065 0.00000 67 4PZ 0.04084 0.00000 0.00000 0.00000 0.04079 68 5S -0.00000 0.01072 0.00034 0.00114 0.00000 69 5PX 0.00000 -0.00223 -0.01288 -0.00036 0.00000 70 5PY -0.00000 -0.01117 0.00014 -0.00008 -0.00000 71 5PZ -0.00075 -0.00000 -0.00000 -0.00000 -0.00104 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 0.00022 0.00000 -0.00000 0.00000 0.00008 75 6D+2 0.00000 0.00002 0.00000 -0.00001 -0.00000 76 6D-2 -0.00000 -0.00000 0.00003 -0.00000 0.00000 77 7D 0 0.00000 0.00009 0.00001 -0.00000 0.00000 78 7D+1 0.00025 -0.00000 0.00000 -0.00000 0.00018 79 7D-1 0.00663 0.00000 -0.00000 0.00000 0.00300 80 7D+2 0.00000 0.00060 0.00008 -0.00016 -0.00000 81 7D-2 0.00000 -0.00001 0.00098 -0.00001 0.00000 82 4 O 1S -0.00000 0.00004 0.00000 -0.00004 -0.00000 83 2S -0.00000 0.00004 0.00002 -0.00008 -0.00000 84 2PX 0.00000 0.00011 -0.00020 -0.00040 0.00000 85 2PY -0.00000 -0.00054 0.00015 0.00005 0.00000 86 2PZ -0.00002 -0.00000 0.00000 0.00000 -0.00083 87 3S 0.00000 -0.00014 -0.00068 0.00165 0.00000 88 3PX 0.00000 0.00069 -0.00112 -0.00252 0.00000 89 3PY -0.00000 -0.00370 0.00089 0.00028 0.00000 90 3PZ -0.00035 -0.00000 0.00000 0.00000 -0.00567 91 4S 0.00000 0.00151 0.00049 0.00649 0.00000 92 4PX 0.00000 0.00436 -0.00139 -0.00443 0.00000 93 4PY -0.00000 -0.01436 0.00346 0.00077 0.00000 94 4PZ -0.00534 -0.00000 0.00000 0.00000 -0.02316 95 5S -0.00000 -0.01412 0.00496 -0.00146 -0.00000 96 5PX 0.00000 -0.00126 0.00009 -0.00119 0.00000 97 5PY -0.00000 -0.00858 0.00116 -0.00003 -0.00000 98 5PZ -0.00441 -0.00000 0.00000 -0.00000 -0.01376 99 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 100 6D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 102 6D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 103 6D-2 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 104 7D 0 -0.00000 -0.00005 -0.00000 -0.00005 -0.00000 105 7D+1 -0.00001 -0.00000 0.00000 0.00000 -0.00014 106 7D-1 -0.00001 0.00000 0.00000 0.00000 -0.00012 107 7D+2 0.00000 0.00001 0.00013 -0.00008 -0.00000 108 7D-2 0.00000 -0.00017 -0.00003 0.00003 0.00000 109 5 H 1S 0.00000 0.01897 0.01377 0.00714 0.00000 110 2S 0.00000 0.05506 0.03307 0.01724 0.00000 111 3S 0.00000 -0.00136 0.00934 0.00292 0.00000 112 4PX 0.00000 0.00253 -0.00025 0.00072 0.00000 113 4PY -0.00000 0.00061 0.00053 -0.00029 -0.00000 114 4PZ 0.00200 0.00000 0.00000 -0.00000 0.00170 115 6 H 1S 0.00002 -0.00092 -0.00060 -0.00061 -0.00027 116 2S -0.00012 -0.00382 -0.00196 -0.00196 -0.00219 117 3S -0.00180 -0.00388 -0.00166 -0.00146 -0.00532 118 4PX 0.00000 0.00017 0.00016 0.00002 0.00000 119 4PY 0.00002 0.00003 0.00009 0.00000 -0.00000 120 4PZ 0.00000 -0.00008 -0.00003 -0.00005 0.00001 121 7 H 1S 0.00002 -0.00092 -0.00060 -0.00061 -0.00027 122 2S -0.00012 -0.00382 -0.00196 -0.00196 -0.00219 123 3S -0.00180 -0.00388 -0.00166 -0.00146 -0.00532 124 4PX 0.00000 0.00017 0.00016 0.00002 0.00000 125 4PY 0.00002 0.00003 0.00009 0.00000 -0.00000 126 4PZ 0.00000 -0.00008 -0.00003 -0.00005 0.00001 127 8 H 1S 0.00000 -0.00031 -0.00179 -0.00007 -0.00000 128 2S 0.00000 -0.00157 -0.00721 -0.00025 -0.00000 129 3S -0.00000 0.00069 -0.00479 -0.00028 -0.00000 130 4PX -0.00000 0.00012 0.00020 -0.00002 -0.00000 131 4PY -0.00000 -0.00002 -0.00004 -0.00002 -0.00000 132 4PZ 0.00001 -0.00000 -0.00000 -0.00000 0.00004 41 42 43 44 45 41 5S 0.21226 42 5PX 0.00000 0.02923 43 5PY 0.00000 -0.00000 0.00367 44 5PZ 0.00000 0.00000 0.00000 0.00151 45 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00035 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 48 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 49 6D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00004 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 -0.00121 0.00003 -0.00008 -0.00000 -0.00001 56 2S -0.00179 0.00004 -0.00012 -0.00000 -0.00002 57 2PX -0.00005 -0.00030 0.00001 -0.00000 -0.00000 58 2PY 0.00011 -0.00001 0.00006 0.00000 0.00019 59 2PZ 0.00000 0.00000 0.00000 0.00024 0.00000 60 3S 0.02617 -0.00056 0.00169 0.00000 0.00054 61 3PX -0.00037 -0.00204 0.00003 -0.00000 -0.00001 62 3PY 0.00074 -0.00004 0.00039 0.00000 0.00082 63 3PZ 0.00000 0.00000 0.00000 0.00157 0.00000 64 4S 0.04358 -0.00084 0.00255 0.00000 0.00014 65 4PX -0.00113 -0.00711 0.00013 -0.00000 -0.00000 66 4PY 0.00315 -0.00015 0.00100 0.00000 0.00005 67 4PZ 0.00000 0.00000 0.00000 0.00469 0.00000 68 5S -0.00291 -0.00007 -0.00059 -0.00000 -0.00001 69 5PX -0.00184 -0.01456 0.00011 -0.00000 0.00000 70 5PY -0.00148 0.00006 -0.00037 -0.00000 0.00000 71 5PZ -0.00000 -0.00000 -0.00000 0.00008 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 0.00001 76 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 77 7D 0 0.00002 0.00000 -0.00000 0.00000 0.00002 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 79 7D-1 0.00000 -0.00000 -0.00000 0.00006 0.00000 80 7D+2 0.00009 -0.00002 0.00004 0.00000 0.00002 81 7D-2 0.00002 0.00013 -0.00000 0.00000 -0.00000 82 4 O 1S 0.00042 -0.00027 -0.00029 -0.00000 -0.00000 83 2S 0.00063 -0.00039 -0.00043 -0.00000 -0.00000 84 2PX 0.00068 0.00017 -0.00007 -0.00000 -0.00000 85 2PY -0.00109 0.00049 -0.00000 -0.00000 0.00000 86 2PZ -0.00000 0.00000 -0.00000 -0.00009 0.00000 87 3S -0.00954 0.00543 0.00597 0.00000 -0.00000 88 3PX 0.00453 0.00118 -0.00042 -0.00000 -0.00000 89 3PY -0.00706 0.00307 -0.00006 -0.00000 0.00000 90 3PZ -0.00000 0.00000 -0.00000 -0.00055 0.00000 91 4S -0.02779 0.01210 0.01113 0.00000 -0.00000 92 4PX 0.01413 0.00442 -0.00132 -0.00000 -0.00000 93 4PY -0.02810 0.01077 -0.00057 -0.00000 -0.00000 94 4PZ -0.00000 0.00000 -0.00000 -0.00233 -0.00000 95 5S -0.02807 0.00856 0.00188 0.00000 -0.00000 96 5PX 0.00329 0.00124 -0.00040 -0.00000 0.00000 97 5PY -0.01932 0.00559 -0.00077 -0.00000 -0.00000 98 5PZ -0.00000 0.00000 -0.00000 -0.00185 -0.00000 99 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 103 6D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 104 7D 0 0.00002 0.00000 -0.00000 0.00000 0.00000 105 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00000 0.00000 0.00000 -0.00000 0.00000 107 7D+2 -0.00004 0.00010 -0.00000 -0.00000 0.00000 108 7D-2 -0.00002 -0.00001 -0.00000 -0.00000 0.00000 109 5 H 1S -0.00124 0.00102 0.00039 0.00000 0.00009 110 2S -0.00196 0.00285 0.00121 0.00000 0.00006 111 3S -0.01815 0.00391 -0.00015 -0.00000 -0.00001 112 4PX 0.00011 0.00001 0.00002 0.00000 0.00002 113 4PY -0.00002 0.00002 -0.00004 -0.00000 0.00001 114 4PZ -0.00000 0.00000 -0.00000 0.00008 -0.00000 115 6 H 1S -0.00189 -0.00052 -0.00029 -0.00016 0.00000 116 2S -0.00571 -0.00133 -0.00086 -0.00073 0.00000 117 3S 0.00258 0.00084 0.00004 -0.00103 0.00000 118 4PX 0.00002 -0.00000 -0.00001 -0.00000 0.00000 119 4PY -0.00006 -0.00002 0.00001 -0.00000 0.00000 120 4PZ -0.00007 -0.00002 -0.00001 0.00001 0.00000 121 7 H 1S -0.00189 -0.00052 -0.00029 -0.00016 0.00000 122 2S -0.00571 -0.00133 -0.00086 -0.00073 0.00000 123 3S 0.00258 0.00084 0.00004 -0.00103 0.00000 124 4PX 0.00002 -0.00000 -0.00001 -0.00000 0.00000 125 4PY -0.00006 -0.00002 0.00001 -0.00000 0.00000 126 4PZ -0.00007 -0.00002 -0.00001 0.00001 0.00000 127 8 H 1S -0.00315 -0.00147 0.00000 0.00000 -0.00000 128 2S -0.01174 -0.00525 -0.00000 -0.00000 -0.00000 129 3S -0.00199 -0.00098 -0.00009 -0.00000 -0.00000 130 4PX -0.00024 -0.00003 0.00000 0.00000 0.00000 131 4PY -0.00002 -0.00001 -0.00000 -0.00000 0.00000 132 4PZ -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 46 47 48 49 50 46 6D+1 0.00010 47 6D-1 -0.00000 0.00061 48 6D+2 -0.00000 0.00000 0.00128 49 6D-2 0.00000 0.00000 0.00000 0.00096 50 7D 0 0.00000 0.00000 -0.00000 0.00000 0.00054 51 7D+1 0.00010 -0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.00000 0.00048 0.00000 0.00000 0.00000 53 7D+2 -0.00000 0.00000 0.00073 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00085 0.00000 55 3 O 1S 0.00000 -0.00000 -0.00004 -0.00000 0.00013 56 2S 0.00000 -0.00000 -0.00005 -0.00000 0.00016 57 2PX 0.00000 -0.00000 0.00003 0.00014 0.00001 58 2PY 0.00000 0.00000 0.00065 0.00009 0.00010 59 2PZ 0.00000 0.00017 0.00000 0.00000 0.00000 60 3S -0.00000 0.00000 0.00191 0.00001 -0.00093 61 3PX 0.00000 -0.00000 0.00014 0.00128 0.00003 62 3PY 0.00000 0.00000 0.00277 0.00042 0.00025 63 3PZ 0.00002 0.00150 0.00000 0.00000 0.00000 64 4S -0.00000 0.00000 0.00062 -0.00006 -0.00069 65 4PX 0.00000 -0.00000 0.00007 0.00129 -0.00002 66 4PY 0.00000 0.00000 0.00016 0.00010 -0.00010 67 4PZ 0.00002 0.00141 0.00000 -0.00000 0.00000 68 5S -0.00000 -0.00000 -0.00001 -0.00001 -0.00003 69 5PX 0.00000 -0.00000 -0.00000 0.00007 -0.00001 70 5PY 0.00000 0.00000 -0.00001 -0.00000 -0.00000 71 5PZ 0.00000 0.00001 -0.00000 -0.00000 0.00000 72 6D 0 0.00000 0.00000 0.00001 0.00000 -0.00000 73 6D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 74 6D-1 0.00000 0.00001 0.00000 0.00000 0.00000 75 6D+2 -0.00000 0.00000 0.00004 0.00000 -0.00000 76 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00001 0.00000 -0.00002 78 7D+1 0.00000 -0.00001 -0.00000 0.00000 -0.00000 79 7D-1 0.00000 0.00030 0.00000 -0.00000 0.00000 80 7D+2 -0.00000 0.00000 0.00013 -0.00003 0.00003 81 7D-2 0.00000 -0.00000 -0.00002 0.00003 0.00002 82 4 O 1S -0.00000 0.00000 0.00000 -0.00000 0.00001 83 2S -0.00000 0.00000 0.00000 -0.00000 0.00001 84 2PX 0.00000 -0.00000 -0.00000 0.00000 -0.00004 85 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00007 86 2PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 87 3S 0.00000 -0.00000 -0.00000 0.00000 -0.00014 88 3PX 0.00000 -0.00000 -0.00000 0.00001 -0.00031 89 3PY 0.00000 -0.00000 -0.00000 0.00001 0.00048 90 3PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 91 4S -0.00000 -0.00000 -0.00000 -0.00004 -0.00013 92 4PX 0.00000 -0.00000 -0.00003 0.00011 -0.00050 93 4PY 0.00000 -0.00000 0.00000 0.00005 0.00101 94 4PZ 0.00000 -0.00001 -0.00000 0.00000 0.00000 95 5S -0.00000 0.00000 0.00000 -0.00003 0.00016 96 5PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 97 5PY -0.00000 -0.00000 0.00001 -0.00000 0.00005 98 5PZ -0.00000 -0.00001 0.00000 -0.00000 0.00000 99 6D 0 0.00000 0.00000 -0.00000 0.00000 -0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 102 6D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 104 7D 0 0.00000 0.00000 -0.00000 0.00000 -0.00001 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 107 7D+2 -0.00000 0.00000 -0.00000 -0.00000 0.00001 108 7D-2 0.00000 0.00000 0.00000 0.00001 0.00000 109 5 H 1S 0.00000 -0.00000 0.00019 0.00084 -0.00018 110 2S 0.00000 -0.00000 0.00016 0.00072 -0.00033 111 3S -0.00000 -0.00000 0.00001 0.00005 0.00001 112 4PX 0.00000 -0.00000 -0.00002 0.00009 0.00000 113 4PY -0.00000 0.00000 -0.00002 0.00001 0.00000 114 4PZ -0.00000 -0.00004 -0.00000 -0.00000 -0.00000 115 6 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 116 2S 0.00003 0.00003 -0.00001 0.00002 0.00000 117 3S 0.00001 0.00002 -0.00001 0.00001 -0.00002 118 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 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 0.00003 0.00003 -0.00001 0.00002 0.00000 123 3S 0.00001 0.00002 -0.00001 0.00001 -0.00002 124 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 127 8 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00007 128 2S -0.00000 -0.00000 0.00006 0.00001 0.00026 129 3S -0.00000 -0.00000 0.00002 0.00001 0.00000 130 4PX 0.00000 -0.00000 0.00000 0.00000 0.00003 131 4PY -0.00000 0.00000 0.00000 -0.00000 0.00000 132 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 51 52 53 54 55 51 7D+1 0.00055 52 7D-1 -0.00000 0.00193 53 7D+2 -0.00000 0.00000 0.00254 54 7D-2 0.00000 0.00000 0.00000 0.00488 55 3 O 1S 0.00000 -0.00000 -0.00051 0.00003 0.63989 56 2S 0.00000 -0.00000 -0.00082 0.00005 0.51355 57 2PX 0.00000 -0.00000 0.00006 0.00241 0.00000 58 2PY 0.00000 0.00000 0.00067 0.00017 0.00000 59 2PZ 0.00004 0.00173 0.00000 -0.00000 0.00000 60 3S -0.00000 0.00000 0.00788 -0.00045 -0.04832 61 3PX 0.00000 -0.00000 0.00023 0.01160 0.00000 62 3PY 0.00000 0.00000 0.00158 0.00058 0.00000 63 3PZ 0.00019 0.00823 0.00000 -0.00000 0.00000 64 4S -0.00000 0.00000 0.00292 -0.00073 -0.02196 65 4PX 0.00000 -0.00000 0.00024 0.01265 0.00000 66 4PY 0.00000 0.00000 -0.00101 0.00022 0.00000 67 4PZ 0.00022 0.00919 -0.00000 -0.00000 0.00000 68 5S -0.00000 -0.00000 -0.00012 -0.00006 0.00193 69 5PX 0.00000 0.00000 -0.00000 0.00079 0.00000 70 5PY 0.00000 0.00000 -0.00008 -0.00001 0.00000 71 5PZ 0.00002 0.00015 -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 0.00003 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 -0.00003 -0.00003 0.00000 78 7D+1 0.00009 -0.00002 -0.00000 0.00000 -0.00000 79 7D-1 -0.00000 0.00053 0.00000 -0.00000 -0.00000 80 7D+2 -0.00000 -0.00000 -0.00001 -0.00008 0.00000 81 7D-2 0.00000 0.00000 -0.00002 0.00016 0.00000 82 4 O 1S -0.00000 0.00000 -0.00000 -0.00001 -0.00000 83 2S -0.00000 0.00000 -0.00000 -0.00001 0.00000 84 2PX 0.00000 -0.00000 -0.00002 0.00016 -0.00000 85 2PY 0.00000 0.00000 -0.00000 0.00006 -0.00000 86 2PZ 0.00001 0.00000 -0.00000 0.00000 -0.00000 87 3S 0.00000 -0.00000 0.00001 0.00017 0.00002 88 3PX 0.00000 -0.00000 -0.00013 0.00112 -0.00011 89 3PY 0.00000 0.00000 0.00000 0.00047 -0.00003 90 3PZ 0.00010 0.00002 -0.00000 0.00000 -0.00000 91 4S -0.00000 0.00000 0.00007 -0.00066 0.00066 92 4PX 0.00000 -0.00000 -0.00026 0.00145 -0.00023 93 4PY -0.00000 0.00000 0.00015 0.00031 -0.00018 94 4PZ 0.00040 -0.00013 0.00000 0.00000 -0.00000 95 5S -0.00000 0.00000 0.00002 -0.00050 -0.00093 96 5PX 0.00000 0.00000 -0.00001 -0.00001 -0.00042 97 5PY -0.00000 0.00000 0.00011 -0.00007 -0.00010 98 5PZ 0.00008 -0.00018 0.00000 -0.00000 -0.00000 99 6D 0 0.00000 0.00000 -0.00000 0.00000 -0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 101 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 102 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00001 -0.00000 104 7D 0 0.00000 0.00000 0.00000 0.00006 -0.00004 105 7D+1 0.00001 0.00005 0.00000 0.00000 -0.00000 106 7D-1 0.00001 0.00002 -0.00000 -0.00000 0.00000 107 7D+2 -0.00000 -0.00000 -0.00002 -0.00004 -0.00006 108 7D-2 0.00000 0.00000 0.00002 0.00019 -0.00005 109 5 H 1S 0.00000 -0.00000 0.00020 0.00169 0.00000 110 2S 0.00000 -0.00000 0.00016 0.00171 -0.00000 111 3S -0.00000 -0.00000 0.00007 0.00054 0.00002 112 4PX -0.00000 -0.00000 -0.00006 -0.00001 0.00000 113 4PY -0.00000 -0.00000 -0.00012 -0.00001 -0.00000 114 4PZ -0.00003 -0.00013 -0.00000 -0.00000 0.00000 115 6 H 1S 0.00020 0.00021 -0.00006 0.00027 -0.00000 116 2S 0.00075 0.00084 -0.00021 0.00100 -0.00000 117 3S 0.00017 0.00031 -0.00008 0.00020 -0.00001 118 4PX 0.00001 0.00002 0.00000 0.00007 0.00000 119 4PY 0.00004 0.00002 0.00002 0.00001 0.00000 120 4PZ 0.00000 0.00000 -0.00001 0.00006 -0.00000 121 7 H 1S 0.00020 0.00021 -0.00006 0.00027 -0.00000 122 2S 0.00075 0.00084 -0.00021 0.00100 -0.00000 123 3S 0.00017 0.00031 -0.00008 0.00020 -0.00001 124 4PX 0.00001 0.00002 0.00000 0.00007 0.00000 125 4PY 0.00004 0.00002 0.00002 0.00001 0.00000 126 4PZ 0.00000 0.00000 -0.00001 0.00006 -0.00000 127 8 H 1S 0.00000 -0.00000 0.00066 0.00014 0.00000 128 2S 0.00000 -0.00000 0.00231 0.00053 0.00000 129 3S -0.00000 -0.00000 0.00051 0.00015 0.00002 130 4PX 0.00000 -0.00000 0.00018 0.00004 -0.00000 131 4PY -0.00000 0.00000 0.00002 -0.00003 -0.00000 132 4PZ 0.00003 -0.00000 0.00000 -0.00000 0.00000 56 57 58 59 60 56 2S 0.52403 57 2PX 0.00000 0.14326 58 2PY 0.00000 0.00000 0.14438 59 2PZ 0.00000 0.00000 0.00000 0.13776 60 3S -0.09334 0.00000 0.00000 0.00000 0.73114 61 3PX 0.00000 0.13084 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.12868 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.12522 0.00000 64 4S -0.03614 0.00000 0.00000 0.00000 0.44763 65 4PX 0.00000 0.03192 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.02502 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.03205 0.00000 68 5S 0.00276 0.00000 0.00000 0.00000 -0.03556 69 5PX 0.00000 0.00089 0.00000 -0.00000 0.00000 70 5PY 0.00000 0.00000 -0.00033 -0.00000 0.00000 71 5PZ 0.00000 -0.00000 -0.00000 0.00009 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 O 1S 0.00000 -0.00000 0.00000 0.00000 0.00002 83 2S 0.00000 -0.00000 0.00000 0.00000 0.00003 84 2PX -0.00000 0.00006 0.00001 0.00000 0.00063 85 2PY -0.00000 0.00001 0.00000 0.00000 0.00018 86 2PZ -0.00000 0.00000 0.00000 0.00000 0.00000 87 3S 0.00002 0.00017 -0.00001 -0.00000 -0.00295 88 3PX -0.00016 0.00467 0.00051 0.00000 0.00816 89 3PY -0.00004 0.00065 0.00005 0.00000 0.00227 90 3PZ -0.00000 0.00000 0.00000 0.00018 0.00000 91 4S 0.00107 -0.00154 -0.00047 -0.00000 -0.02088 92 4PX -0.00046 0.00537 0.00027 0.00000 0.00793 93 4PY -0.00033 0.00052 -0.00062 -0.00000 0.00545 94 4PZ -0.00000 0.00000 -0.00000 0.00059 0.00000 95 5S -0.00134 -0.00063 0.00027 0.00000 0.01852 96 5PX -0.00059 -0.00001 0.00008 0.00000 0.00725 97 5PY -0.00016 -0.00010 -0.00040 -0.00000 0.00224 98 5PZ -0.00000 -0.00000 -0.00000 -0.00011 0.00000 99 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00004 100 6D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 102 6D+2 -0.00000 0.00000 0.00000 0.00000 0.00006 103 6D-2 -0.00000 0.00001 0.00000 -0.00000 0.00005 104 7D 0 -0.00007 0.00040 0.00003 0.00000 0.00106 105 7D+1 -0.00000 0.00000 -0.00000 0.00032 0.00000 106 7D-1 0.00000 -0.00000 0.00000 0.00006 -0.00000 107 7D+2 -0.00011 0.00036 0.00033 0.00000 0.00175 108 7D-2 -0.00008 0.00087 -0.00000 0.00000 0.00142 109 5 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00001 110 2S 0.00000 -0.00003 -0.00022 -0.00000 -0.00018 111 3S 0.00002 -0.00018 -0.00046 -0.00000 0.00017 112 4PX 0.00000 0.00000 -0.00000 -0.00000 -0.00001 113 4PY -0.00000 0.00000 0.00000 0.00000 0.00001 114 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 115 6 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 116 2S -0.00000 0.00000 0.00000 -0.00000 0.00000 117 3S -0.00001 0.00000 0.00003 -0.00003 0.00017 118 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 120 4PZ -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 -0.00001 0.00000 0.00003 -0.00003 0.00017 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 -0.00000 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 -0.00005 129 3S 0.00003 0.00004 -0.00004 -0.00000 -0.00054 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 0.31934 62 3PY 0.00000 0.30633 63 3PZ 0.00000 0.00000 0.30392 64 4S 0.00000 0.00000 0.00000 0.53466 65 4PX 0.15068 0.00000 0.00000 0.00000 0.18855 66 4PY 0.00000 0.11531 0.00000 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.15089 0.00000 0.00000 68 5S 0.00000 0.00000 0.00000 -0.05564 0.00000 69 5PX 0.00517 0.00000 -0.00000 0.00000 0.01542 70 5PY 0.00000 -0.00197 -0.00000 0.00000 0.00000 71 5PZ -0.00000 -0.00000 0.00054 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 O 1S -0.00004 -0.00000 -0.00000 0.00083 0.00069 83 2S -0.00005 -0.00000 -0.00000 0.00134 0.00103 84 2PX 0.00467 0.00053 0.00000 0.00207 0.00617 85 2PY 0.00064 0.00005 0.00000 0.00068 0.00100 86 2PZ 0.00000 0.00000 0.00018 0.00000 0.00000 87 3S 0.00224 -0.00001 -0.00000 -0.02462 -0.01291 88 3PX 0.03562 0.00426 0.00000 0.01258 0.02827 89 3PY 0.00543 -0.00021 -0.00000 0.00390 0.00536 90 3PZ 0.00000 -0.00000 0.00226 0.00000 0.00000 91 4S -0.00935 -0.00262 -0.00000 -0.06579 -0.03883 92 4PX 0.02465 0.00156 0.00000 0.00702 0.01793 93 4PY 0.00285 -0.00408 -0.00000 0.00833 0.00211 94 4PZ 0.00000 -0.00000 0.00359 0.00000 0.00000 95 5S -0.00390 0.00163 0.00000 0.04303 -0.01048 96 5PX -0.00014 0.00048 0.00000 0.01316 -0.00096 97 5PY -0.00059 -0.00246 -0.00000 0.00530 -0.00128 98 5PZ -0.00000 -0.00000 -0.00069 0.00000 -0.00000 99 6D 0 0.00010 0.00002 0.00000 0.00004 0.00002 100 6D+1 0.00000 -0.00000 0.00004 0.00000 0.00000 101 6D-1 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 102 6D+2 0.00009 0.00008 0.00000 0.00007 0.00001 103 6D-2 0.00021 0.00000 -0.00000 0.00004 0.00008 104 7D 0 0.00149 0.00010 0.00000 0.00056 0.00021 105 7D+1 0.00000 0.00000 0.00194 0.00000 0.00000 106 7D-1 -0.00000 0.00000 0.00037 -0.00000 -0.00000 107 7D+2 0.00120 0.00158 0.00000 0.00124 -0.00017 108 7D-2 0.00352 0.00016 0.00000 0.00044 0.00116 109 5 H 1S -0.00001 -0.00006 -0.00000 0.00003 -0.00063 110 2S -0.00026 -0.00203 -0.00000 0.00115 -0.00214 111 3S -0.00119 -0.00293 -0.00000 0.00492 -0.00378 112 4PX 0.00000 -0.00004 -0.00000 -0.00006 -0.00001 113 4PY 0.00001 0.00008 0.00000 -0.00004 -0.00000 114 4PZ 0.00000 0.00000 0.00002 -0.00000 0.00000 115 6 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 116 2S 0.00000 0.00000 -0.00001 0.00004 0.00004 117 3S 0.00001 0.00022 -0.00022 0.00019 0.00008 118 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 119 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 120 4PZ 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 -0.00001 0.00004 0.00004 123 3S 0.00001 0.00022 -0.00022 0.00019 0.00008 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 -0.00002 -0.00012 128 2S -0.00003 -0.00004 -0.00000 -0.00005 -0.00036 129 3S 0.00028 -0.00026 -0.00000 -0.00021 0.00103 130 4PX 0.00000 -0.00000 -0.00000 0.00001 0.00005 131 4PY 0.00000 -0.00000 -0.00000 0.00001 0.00007 132 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 66 67 68 69 70 66 4PY 0.11378 67 4PZ 0.00000 0.19176 68 5S 0.00000 0.00000 0.02131 69 5PX 0.00000 -0.00000 0.00000 0.03098 70 5PY -0.00380 -0.00000 0.00000 -0.00000 0.00368 71 5PZ -0.00000 0.00130 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 O 1S 0.00015 0.00000 -0.00083 -0.00054 -0.00008 83 2S 0.00023 0.00000 -0.00103 -0.00070 -0.00011 84 2PX 0.00037 0.00000 -0.00025 -0.00004 -0.00004 85 2PY -0.00053 -0.00000 -0.00032 -0.00070 0.00044 86 2PZ -0.00000 0.00105 -0.00000 -0.00000 0.00000 87 3S -0.00322 -0.00000 0.01048 0.00750 0.00128 88 3PX 0.00181 0.00000 -0.00165 -0.00045 -0.00024 89 3PY -0.00336 -0.00000 -0.00199 -0.00401 0.00274 90 3PZ -0.00000 0.00641 -0.00000 -0.00000 0.00000 91 4S -0.00728 -0.00000 0.02657 0.01377 0.00321 92 4PX -0.00116 -0.00000 -0.00118 -0.00382 0.00005 93 4PY -0.01171 -0.00000 -0.00539 -0.01023 0.00792 94 4PZ -0.00000 0.00801 -0.00000 -0.00000 0.00000 95 5S 0.00428 0.00000 -0.01266 -0.01855 -0.00170 96 5PX 0.00085 0.00000 -0.00282 0.00097 -0.00025 97 5PY -0.00693 -0.00000 -0.00265 -0.00350 0.00360 98 5PZ -0.00000 -0.00162 -0.00000 0.00000 0.00000 99 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 100 6D+1 -0.00000 0.00008 -0.00000 -0.00000 -0.00000 101 6D-1 -0.00000 0.00001 0.00000 -0.00000 0.00000 102 6D+2 0.00005 0.00000 -0.00000 -0.00000 -0.00000 103 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 104 7D 0 0.00001 0.00000 -0.00004 0.00002 0.00001 105 7D+1 0.00000 0.00221 -0.00000 -0.00000 0.00000 106 7D-1 -0.00000 0.00043 -0.00000 -0.00000 -0.00000 107 7D+2 0.00071 0.00000 -0.00002 -0.00009 -0.00001 108 7D-2 0.00039 0.00000 -0.00008 0.00001 0.00010 109 5 H 1S -0.00170 -0.00000 0.00093 -0.00108 -0.00061 110 2S -0.00750 -0.00000 0.00327 -0.00346 -0.00150 111 3S -0.00698 -0.00000 0.00281 -0.00312 0.00016 112 4PX -0.00019 -0.00000 0.00003 0.00001 -0.00006 113 4PY 0.00028 0.00000 0.00003 -0.00006 -0.00001 114 4PZ 0.00000 0.00025 0.00000 -0.00000 -0.00000 115 6 H 1S 0.00000 -0.00001 -0.00003 0.00011 0.00014 116 2S 0.00007 -0.00023 -0.00008 0.00033 0.00055 117 3S 0.00066 -0.00091 0.00008 -0.00002 0.00039 118 4PX -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 119 4PY -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 120 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 121 7 H 1S 0.00000 -0.00001 -0.00003 0.00011 0.00014 122 2S 0.00007 -0.00023 -0.00008 0.00033 0.00055 123 3S 0.00066 -0.00091 0.00008 -0.00002 0.00039 124 4PX -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 125 4PY -0.00000 -0.00001 -0.00000 -0.00001 -0.00000 126 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00001 127 8 H 1S -0.00002 -0.00000 0.00028 0.00010 -0.00008 128 2S -0.00014 -0.00000 0.00116 0.00096 -0.00026 129 3S -0.00056 -0.00000 0.00192 0.00049 -0.00028 130 4PX -0.00003 -0.00000 -0.00001 -0.00000 -0.00003 131 4PY -0.00001 -0.00000 -0.00001 0.00001 0.00000 132 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 71 72 73 74 75 71 5PZ 0.00071 72 6D 0 0.00000 0.00010 73 6D+1 0.00000 0.00000 0.00005 74 6D-1 0.00000 -0.00000 -0.00000 0.00011 75 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00033 76 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 77 7D 0 0.00000 0.00009 0.00000 0.00000 -0.00000 78 7D+1 0.00000 0.00000 0.00012 -0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.00000 0.00025 0.00000 80 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00041 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 82 4 O 1S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 83 2S -0.00000 -0.00000 -0.00000 0.00000 -0.00000 84 2PX -0.00000 0.00000 -0.00000 -0.00000 0.00000 85 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 86 2PZ 0.00004 0.00000 0.00000 0.00000 0.00000 87 3S 0.00000 0.00003 0.00000 -0.00000 0.00005 88 3PX -0.00000 0.00004 -0.00000 -0.00000 0.00005 89 3PY 0.00000 -0.00001 -0.00000 -0.00000 0.00014 90 3PZ 0.00026 0.00000 0.00006 0.00002 0.00000 91 4S 0.00000 0.00003 0.00000 -0.00000 0.00003 92 4PX -0.00000 0.00001 -0.00000 -0.00000 0.00000 93 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00014 94 4PZ 0.00073 0.00000 0.00012 0.00005 0.00000 95 5S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 96 5PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 97 5PY 0.00000 0.00000 -0.00000 -0.00000 0.00001 98 5PZ 0.00005 0.00000 0.00001 0.00000 0.00000 99 6D 0 -0.00000 0.00000 0.00000 -0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 101 6D-1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 102 6D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 103 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00000 -0.00000 0.00001 105 7D+1 0.00001 0.00000 0.00001 -0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 107 7D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 108 7D-2 0.00000 0.00001 -0.00000 -0.00000 0.00002 109 5 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 110 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 111 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 112 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 113 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ -0.00001 0.00000 -0.00000 0.00000 -0.00000 115 6 H 1S -0.00011 -0.00000 0.00000 -0.00000 0.00000 116 2S -0.00045 -0.00000 0.00000 -0.00000 0.00000 117 3S -0.00029 0.00000 -0.00000 -0.00000 0.00000 118 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 119 4PY -0.00001 0.00000 0.00000 -0.00000 -0.00000 120 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 121 7 H 1S -0.00011 -0.00000 0.00000 -0.00000 0.00000 122 2S -0.00045 -0.00000 0.00000 -0.00000 0.00000 123 3S -0.00029 0.00000 -0.00000 -0.00000 0.00000 124 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 125 4PY -0.00001 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 0.00000 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 -0.00002 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 6D-2 0.00009 77 7D 0 -0.00000 0.00047 78 7D+1 0.00000 0.00000 0.00164 79 7D-1 0.00000 0.00000 -0.00000 0.00267 80 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00288 81 7D-2 0.00019 0.00000 0.00000 0.00000 0.00000 82 4 O 1S -0.00000 -0.00003 -0.00000 0.00000 -0.00006 83 2S -0.00000 -0.00005 -0.00000 0.00000 -0.00010 84 2PX 0.00000 0.00022 -0.00000 -0.00000 0.00007 85 2PY -0.00000 -0.00001 -0.00000 0.00000 0.00101 86 2PZ -0.00000 0.00000 0.00069 0.00018 0.00000 87 3S 0.00005 0.00082 0.00000 -0.00000 0.00158 88 3PX 0.00005 0.00082 -0.00000 -0.00000 0.00028 89 3PY -0.00001 -0.00002 0.00000 0.00000 0.00473 90 3PZ -0.00000 0.00000 0.00405 0.00104 0.00000 91 4S 0.00005 0.00035 0.00000 -0.00000 0.00046 92 4PX 0.00002 0.00012 -0.00000 -0.00000 0.00005 93 4PY 0.00004 -0.00002 0.00000 -0.00000 0.00406 94 4PZ 0.00000 0.00000 0.00528 0.00155 0.00000 95 5S -0.00000 -0.00004 -0.00000 -0.00000 0.00012 96 5PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 97 5PY 0.00000 0.00001 0.00000 -0.00000 0.00027 98 5PZ 0.00000 0.00000 0.00049 0.00018 0.00000 99 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00001 100 6D+1 -0.00000 0.00000 0.00002 -0.00000 0.00000 101 6D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 102 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 103 6D-2 -0.00000 0.00000 0.00000 0.00000 0.00003 104 7D 0 0.00000 0.00004 0.00000 -0.00000 0.00001 105 7D+1 0.00000 0.00000 0.00036 -0.00001 0.00000 106 7D-1 0.00000 -0.00000 0.00011 -0.00000 0.00000 107 7D+2 0.00001 0.00001 0.00000 0.00000 -0.00002 108 7D-2 0.00000 0.00001 0.00000 0.00000 0.00030 109 5 H 1S 0.00000 -0.00001 0.00000 0.00000 0.00002 110 2S 0.00001 -0.00005 0.00000 0.00000 0.00014 111 3S 0.00000 -0.00005 -0.00000 -0.00000 -0.00002 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00001 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 114 4PZ 0.00000 0.00000 -0.00000 0.00002 -0.00000 115 6 H 1S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 3S -0.00000 -0.00000 -0.00002 -0.00005 0.00001 118 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 119 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 120 4PZ -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 -0.00002 -0.00005 0.00001 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 -0.00000 -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 -0.00000 -0.00000 0.00002 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 81 82 83 84 85 81 7D-2 0.00227 82 4 O 1S -0.00005 0.64111 83 2S -0.00009 0.51540 0.52721 84 2PX 0.00040 0.00000 0.00000 0.08601 85 2PY -0.00001 0.00000 0.00000 0.00000 0.17045 86 2PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 87 3S 0.00147 -0.05033 -0.09658 0.00000 0.00000 88 3PX 0.00156 0.00000 0.00000 0.07784 0.00000 89 3PY 0.00081 0.00000 0.00000 0.00000 0.15008 90 3PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 91 4S 0.00089 -0.02372 -0.03957 0.00000 0.00000 92 4PX 0.00061 0.00000 0.00000 0.01763 0.00000 93 4PY 0.00244 0.00000 0.00000 0.00000 0.04438 94 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 95 5S -0.00009 0.00214 0.00264 0.00000 0.00000 96 5PX -0.00000 0.00000 0.00000 0.00057 -0.00000 97 5PY 0.00027 0.00000 0.00000 0.00000 0.00350 98 5PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 99 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 100 6D+1 -0.00000 0.00000 -0.00000 0.00000 0.00000 101 6D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00002 0.00000 -0.00000 0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 105 7D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00026 -0.00000 -0.00000 0.00000 0.00000 108 7D-2 0.00008 0.00000 0.00000 0.00000 0.00000 109 5 H 1S 0.00004 0.00000 0.00000 -0.00000 -0.00000 110 2S 0.00030 -0.00000 -0.00000 -0.00000 -0.00002 111 3S 0.00004 -0.00001 -0.00001 -0.00004 0.00008 112 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 113 4PY 0.00004 -0.00000 -0.00000 -0.00000 0.00000 114 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 115 6 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 116 2S -0.00000 0.00000 0.00000 -0.00000 -0.00000 117 3S -0.00001 0.00000 -0.00000 -0.00000 -0.00000 118 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 119 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 120 4PZ -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 -0.00001 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 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 127 8 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 128 2S -0.00004 0.00000 0.00000 0.00000 0.00000 129 3S -0.00001 -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 86 87 88 89 90 86 2PZ 0.16398 87 3S 0.00000 0.74802 88 3PX -0.00000 0.00000 0.18835 89 3PY 0.00000 0.00000 0.00000 0.35291 90 3PZ 0.14504 0.00000 -0.00000 0.00000 0.34253 91 4S 0.00000 0.49625 0.00000 0.00000 0.00000 92 4PX -0.00000 0.00000 0.08241 0.00000 -0.00000 93 4PY 0.00000 0.00000 0.00000 0.20220 0.00000 94 4PZ 0.04322 0.00000 -0.00000 0.00000 0.19792 95 5S 0.00000 -0.02490 0.00000 0.00000 0.00000 96 5PX 0.00000 0.00000 0.00340 -0.00000 0.00000 97 5PY 0.00000 0.00000 0.00000 0.02068 0.00000 98 5PZ 0.00326 0.00000 -0.00000 0.00000 0.01944 99 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 102 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 109 5 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 110 2S -0.00000 -0.00002 -0.00002 -0.00021 -0.00000 111 3S 0.00000 0.00026 -0.00028 0.00052 0.00000 112 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 114 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 115 6 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 116 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 117 3S 0.00000 0.00000 -0.00000 -0.00001 0.00002 118 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 119 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PZ 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 -0.00001 0.00002 124 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 125 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 126 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 8 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 128 2S 0.00000 -0.00000 0.00000 0.00000 0.00000 129 3S -0.00000 0.00001 -0.00000 -0.00002 -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 91 92 93 94 95 91 4S 0.60277 92 4PX 0.00000 0.09768 93 4PY 0.00000 0.00000 0.30012 94 4PZ 0.00000 -0.00000 0.00000 0.29428 95 5S -0.04310 0.00000 0.00000 0.00000 0.04405 96 5PX 0.00000 0.00588 -0.00000 0.00000 0.00000 97 5PY 0.00000 0.00000 0.05792 0.00000 0.00000 98 5PZ 0.00000 -0.00000 0.00000 0.05428 0.00000 99 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 100 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 102 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 104 7D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 -0.00000 108 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 109 5 H 1S -0.00004 -0.00004 -0.00020 -0.00000 0.00050 110 2S -0.00013 -0.00016 -0.00158 -0.00000 0.00191 111 3S 0.00139 -0.00090 0.00296 0.00000 0.00472 112 4PX 0.00001 0.00002 0.00008 0.00000 0.00001 113 4PY 0.00004 -0.00002 0.00004 0.00000 0.00004 114 4PZ 0.00000 0.00000 0.00000 -0.00009 0.00000 115 6 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00001 116 2S 0.00000 -0.00000 -0.00000 0.00000 0.00005 117 3S 0.00001 -0.00001 -0.00007 0.00016 0.00002 118 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 119 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 120 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 121 7 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00001 122 2S 0.00000 -0.00000 -0.00000 0.00000 0.00005 123 3S 0.00001 -0.00001 -0.00007 0.00016 0.00002 124 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 125 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 126 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 127 8 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00001 128 2S -0.00000 0.00000 0.00000 0.00000 -0.00002 129 3S 0.00005 0.00002 -0.00010 -0.00000 -0.00010 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 96 97 98 99 100 96 5PX 0.00303 97 5PY -0.00000 0.02485 98 5PZ 0.00000 0.00000 0.02127 99 6D 0 0.00000 0.00000 0.00000 0.00005 100 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00004 101 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 102 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 104 7D 0 0.00000 0.00000 0.00000 0.00007 -0.00000 105 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00009 106 7D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 109 5 H 1S 0.00000 -0.00017 -0.00000 -0.00000 -0.00000 110 2S 0.00003 -0.00100 -0.00000 -0.00000 -0.00000 111 3S -0.00009 0.00274 0.00000 -0.00000 -0.00000 112 4PX 0.00001 0.00004 0.00000 -0.00000 0.00000 113 4PY -0.00001 -0.00001 -0.00000 -0.00000 0.00000 114 4PZ 0.00000 -0.00000 -0.00012 0.00000 -0.00000 115 6 H 1S 0.00000 -0.00000 0.00001 -0.00000 -0.00000 116 2S 0.00002 -0.00005 0.00010 -0.00000 -0.00000 117 3S -0.00001 -0.00019 0.00036 -0.00000 0.00000 118 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 119 4PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 120 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 121 7 H 1S 0.00000 -0.00000 0.00001 -0.00000 -0.00000 122 2S 0.00002 -0.00005 0.00010 -0.00000 -0.00000 123 3S -0.00001 -0.00019 0.00036 -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 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 127 8 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 128 2S -0.00002 0.00001 0.00000 0.00000 0.00000 129 3S -0.00009 -0.00013 -0.00000 -0.00000 -0.00000 130 4PX -0.00000 0.00001 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 101 102 103 104 105 101 6D-1 0.00001 102 6D+2 0.00000 0.00010 103 6D-2 -0.00000 -0.00000 0.00011 104 7D 0 0.00000 0.00000 -0.00000 0.00047 105 7D+1 -0.00000 0.00000 0.00000 -0.00000 0.00098 106 7D-1 0.00002 0.00000 0.00000 0.00000 -0.00000 107 7D+2 0.00000 0.00015 -0.00000 0.00000 0.00000 108 7D-2 0.00000 -0.00000 0.00016 -0.00000 0.00000 109 5 H 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 110 2S -0.00000 -0.00000 -0.00000 0.00001 -0.00000 111 3S 0.00000 0.00000 -0.00000 -0.00001 -0.00000 112 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 115 6 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 117 3S 0.00000 0.00000 -0.00000 -0.00000 0.00000 118 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 119 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 120 4PZ -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 -0.00000 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 -0.00000 -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 106 107 108 109 110 106 7D-1 0.00027 107 7D+2 0.00000 0.00117 108 7D-2 0.00000 -0.00000 0.00120 109 5 H 1S 0.00000 0.00000 -0.00000 0.08152 110 2S 0.00000 -0.00001 -0.00002 0.08105 0.16261 111 3S 0.00000 0.00003 -0.00003 0.00969 0.02860 112 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 113 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 114 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 115 6 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 116 2S 0.00000 0.00000 0.00000 -0.00000 -0.00004 117 3S 0.00000 0.00000 0.00000 -0.00008 -0.00019 118 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00001 119 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 120 4PZ -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 -0.00004 123 3S 0.00000 0.00000 0.00000 -0.00008 -0.00019 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 0.00000 128 2S 0.00000 -0.00000 -0.00000 0.00000 0.00005 129 3S -0.00000 0.00000 -0.00000 0.00016 0.00078 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 111 112 113 114 115 111 3S 0.01645 112 4PX 0.00000 0.00160 113 4PY 0.00000 0.00000 0.00056 114 4PZ 0.00000 0.00000 0.00000 0.00036 115 6 H 1S -0.00006 -0.00000 -0.00000 -0.00000 0.08150 116 2S -0.00030 -0.00000 -0.00000 -0.00000 0.08172 117 3S -0.00051 -0.00002 -0.00000 -0.00003 0.01313 118 4PX -0.00006 0.00000 0.00000 -0.00000 0.00000 119 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 120 4PZ -0.00001 -0.00000 -0.00000 -0.00000 0.00000 121 7 H 1S -0.00006 -0.00000 -0.00000 -0.00000 -0.00001 122 2S -0.00030 -0.00000 -0.00000 -0.00000 -0.00061 123 3S -0.00051 -0.00002 -0.00000 -0.00003 -0.00216 124 4PX -0.00006 0.00000 0.00000 -0.00000 0.00000 125 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 126 4PZ -0.00001 -0.00000 -0.00000 -0.00000 0.00005 127 8 H 1S 0.00018 -0.00000 0.00000 0.00000 -0.00001 128 2S 0.00104 -0.00000 0.00000 0.00000 -0.00052 129 3S 0.00148 0.00002 0.00000 0.00000 -0.00152 130 4PX 0.00002 -0.00000 -0.00000 0.00000 -0.00001 131 4PY 0.00001 -0.00000 0.00000 0.00000 0.00002 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00003 116 117 118 119 120 116 2S 0.16571 117 3S 0.04230 0.02648 118 4PX 0.00000 0.00000 0.00030 119 4PY 0.00000 0.00000 -0.00000 0.00074 120 4PZ 0.00000 0.00000 0.00000 0.00000 0.00104 121 7 H 1S -0.00061 -0.00216 0.00000 0.00000 0.00005 122 2S -0.00503 -0.00900 0.00000 0.00000 0.00042 123 3S -0.00900 -0.00881 0.00000 0.00000 -0.00005 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 0.00042 -0.00005 0.00000 0.00000 0.00008 127 8 H 1S -0.00054 -0.00167 0.00002 0.00003 -0.00001 128 2S -0.00382 -0.00602 0.00019 0.00031 -0.00011 129 3S -0.00553 -0.00321 0.00007 0.00002 -0.00012 130 4PX -0.00009 -0.00008 0.00000 0.00001 -0.00000 131 4PY 0.00018 -0.00006 0.00001 0.00002 0.00001 132 4PZ 0.00031 0.00013 -0.00000 0.00002 0.00000 121 122 123 124 125 121 7 H 1S 0.08150 122 2S 0.08172 0.16571 123 3S 0.01313 0.04230 0.02648 124 4PX 0.00000 0.00000 0.00000 0.00030 125 4PY 0.00000 0.00000 0.00000 -0.00000 0.00074 126 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 127 8 H 1S -0.00001 -0.00054 -0.00167 0.00002 0.00003 128 2S -0.00052 -0.00382 -0.00602 0.00019 0.00031 129 3S -0.00152 -0.00553 -0.00321 0.00007 0.00002 130 4PX -0.00001 -0.00009 -0.00008 0.00000 0.00001 131 4PY 0.00002 0.00018 -0.00006 0.00001 0.00002 132 4PZ 0.00003 0.00031 0.00013 -0.00000 0.00002 126 127 128 129 130 126 4PZ 0.00104 127 8 H 1S -0.00001 0.08227 128 2S -0.00011 0.08068 0.15929 129 3S -0.00012 0.01060 0.03213 0.01403 130 4PX -0.00000 0.00000 0.00000 0.00000 0.00093 131 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 132 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 131 132 131 4PY 0.00089 132 4PZ 0.00000 0.00031 Gross orbital populations: 1 1 1 C 1S 1.10309 2 2S 0.88549 3 2PX 0.21414 4 2PY 0.22856 5 2PZ 0.22343 6 3S 0.74617 7 3PX 0.49237 8 3PY 0.50770 9 3PZ 0.50098 10 4S 0.46149 11 4PX 0.24348 12 4PY 0.31417 13 4PZ 0.31433 14 5S 0.16369 15 5PX -0.00077 16 5PY 0.00855 17 5PZ 0.01171 18 6D 0 0.00261 19 6D+1 0.00072 20 6D-1 0.00350 21 6D+2 0.00200 22 6D-2 0.00348 23 7D 0 0.00297 24 7D+1 0.01009 25 7D-1 0.00430 26 7D+2 0.00645 27 7D-2 0.00994 28 2 C 1S 1.10352 29 2S 0.88494 30 2PX 0.24819 31 2PY 0.21969 32 2PZ 0.16380 33 3S 0.79576 34 3PX 0.55061 35 3PY 0.44401 36 3PZ 0.37959 37 4S 0.36200 38 4PX 0.18743 39 4PY 0.06993 40 4PZ 0.23353 41 5S -0.09406 42 5PX 0.02069 43 5PY 0.01465 44 5PZ 0.00984 45 6D 0 0.00263 46 6D+1 0.00086 47 6D-1 0.00460 48 6D+2 0.01020 49 6D-2 0.00836 50 7D 0 0.00129 51 7D+1 0.01028 52 7D-1 0.02728 53 7D+2 0.02746 54 7D-2 0.05381 55 3 O 1S 1.08407 56 2S 0.90895 57 2PX 0.31910 58 2PY 0.32562 59 2PZ 0.30517 60 3S 1.04068 61 3PX 0.68035 62 3PY 0.68975 63 3PZ 0.64398 64 4S 0.78145 65 4PX 0.36389 66 4PY 0.30682 67 4PZ 0.49489 68 5S -0.05184 69 5PX -0.00404 70 5PY -0.00822 71 5PZ -0.00346 72 6D 0 0.00056 73 6D+1 0.00039 74 6D-1 0.00081 75 6D+2 0.00205 76 6D-2 0.00071 77 7D 0 0.00405 78 7D+1 0.01333 79 7D-1 0.01842 80 7D+2 0.02337 81 7D-2 0.01723 82 4 O 1S 1.08425 83 2S 0.90898 84 2PX 0.19667 85 2PY 0.37069 86 2PZ 0.35672 87 3S 1.06314 88 3PX 0.44661 89 3PY 0.74001 90 3PZ 0.71274 91 4S 0.91620 92 4PX 0.26552 93 4PY 0.58644 94 4PZ 0.57853 95 5S -0.01257 96 5PX 0.02758 97 5PY 0.08999 98 5PZ 0.07679 99 6D 0 0.00034 100 6D+1 0.00027 101 6D-1 0.00006 102 6D+2 0.00064 103 6D-2 0.00068 104 7D 0 0.00432 105 7D+1 0.00584 106 7D-1 0.00117 107 7D+2 0.00839 108 7D-2 0.00983 109 5 H 1S 0.27487 110 2S 0.49156 111 3S 0.06141 112 4PX 0.01582 113 4PY 0.00653 114 4PZ 0.00447 115 6 H 1S 0.27390 116 2S 0.48862 117 3S 0.06121 118 4PX 0.00464 119 4PY 0.00870 120 4PZ 0.01170 121 7 H 1S 0.27390 122 2S 0.48862 123 3S 0.06121 124 4PX 0.00464 125 4PY 0.00870 126 4PZ 0.01170 127 8 H 1S 0.27656 128 2S 0.48453 129 3S 0.05784 130 4PX 0.01025 131 4PY 0.01026 132 4PZ 0.00493 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.217601 0.060168 -0.070459 0.063664 -0.018455 0.396126 2 C 0.060168 5.187307 0.374034 -0.146280 0.385886 -0.038732 3 O -0.070459 0.374034 7.513863 0.162033 -0.025836 0.000578 4 O 0.063664 -0.146280 0.162033 8.349753 0.010188 0.000439 5 H -0.018455 0.385886 -0.025836 0.010188 0.501768 -0.001318 6 H 0.396126 -0.038732 0.000578 0.000439 -0.001318 0.550079 7 H 0.396126 -0.038732 0.000578 0.000439 -0.001318 -0.036466 8 H 0.419838 -0.042756 0.003289 -0.000404 0.003743 -0.021933 7 8 1 C 0.396126 0.419838 2 C -0.038732 -0.042756 3 O 0.000578 0.003289 4 O 0.000439 -0.000404 5 H -0.001318 0.003743 6 H -0.036466 -0.021933 7 H 0.550079 -0.021933 8 H -0.021933 0.504539 Mulliken charges: 1 1 C -0.464609 2 C 0.259106 3 O 0.041920 4 O -0.439831 5 H 0.145341 6 H 0.151227 7 H 0.151227 8 H 0.155618 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C -0.006536 2 C 0.404447 3 O 0.041920 4 O -0.439831 Electronic spatial extent (au): = 310.0390 Charge= -0.0000 electrons Dipole moment (field-independent basis, Debye): X= -3.4219 Y= 4.4138 Z= 0.0000 Tot= 5.5849 Quadrupole moment (field-independent basis, Debye-Ang): XX= -25.7857 YY= -25.3021 ZZ= -23.6480 XY= 2.7016 XZ= -0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -0.8738 YY= -0.3902 ZZ= 1.2639 XY= 2.7016 XZ= -0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -6.0404 YYY= 4.2815 ZZZ= 0.0000 XYY= -4.5692 XXY= 4.9014 XXZ= 0.0000 XZZ= -0.3008 YZZ= 0.1530 YYZ= 0.0000 XYZ= -0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -195.1546 YYYY= -176.5373 ZZZZ= -28.6976 XXXY= 70.4202 XXXZ= -0.0000 YYYX= 70.2104 YYYZ= 0.0000 ZZZX= -0.0000 ZZZY= 0.0000 XXYY= -62.0276 XXZZ= -37.7521 YYZZ= -31.4653 XXYZ= 0.0000 YYXZ= -0.0000 ZZXY= 20.9227 N-N= 1.172472273569D+02 E-N=-7.719851043784D+02 KE= 2.281920468678D+02 Symmetry A' KE= 2.176012224652D+02 Symmetry A" KE= 1.059082440258D+01 Orbital energies and kinetic energies (alpha): 1 2 1 O -19.279420 29.131229 2 O -19.114564 29.135275 3 O -10.293898 15.954999 4 O -10.218930 15.953952 5 O -1.197243 2.746526 6 O -0.907933 2.602823 7 O -0.782233 1.719537 8 O -0.639409 1.797290 9 O -0.541631 2.241045 10 O -0.517071 1.735826 11 O -0.510451 1.698843 12 O -0.448143 1.373103 13 O -0.443688 1.241527 14 O -0.402048 2.007292 15 O -0.245318 2.223466 16 O -0.245093 2.533291 17 V -0.089852 1.989440 18 V -0.010077 0.414987 19 V 0.017697 0.337490 20 V 0.033750 0.273684 21 V 0.035327 0.287984 22 V 0.062611 1.915345 23 V 0.064561 0.681250 24 V 0.070030 0.725275 25 V 0.087492 0.352655 26 V 0.113414 0.634528 27 V 0.115360 0.708306 28 V 0.135005 0.398251 29 V 0.159837 1.233446 30 V 0.200672 0.762333 31 V 0.204751 0.848134 32 V 0.222744 0.751355 33 V 0.227050 0.645820 34 V 0.244105 1.181484 35 V 0.250757 0.599004 36 V 0.268940 1.042354 37 V 0.285538 1.042733 38 V 0.316208 0.829407 39 V 0.346179 1.137656 40 V 0.389884 0.847391 41 V 0.394167 1.064593 42 V 0.422271 1.004864 43 V 0.449949 1.366662 44 V 0.498617 1.574321 45 V 0.503352 1.577815 46 V 0.516038 1.350738 47 V 0.540516 1.720258 48 V 0.583448 2.165086 49 V 0.613036 1.460806 50 V 0.621939 1.598300 51 V 0.680573 1.602865 52 V 0.721895 1.431148 53 V 0.757206 2.102941 54 V 0.791694 1.603961 55 V 0.835634 2.199791 56 V 0.972971 1.677781 57 V 0.977196 2.055258 58 V 0.982349 1.934149 59 V 1.028923 2.381462 60 V 1.040673 1.965739 61 V 1.068811 2.150678 62 V 1.118275 2.177778 63 V 1.126820 2.524913 64 V 1.136127 2.581872 65 V 1.194580 2.141244 66 V 1.225766 2.531016 67 V 1.252792 2.434651 68 V 1.344908 2.241874 69 V 1.357054 2.785445 70 V 1.406298 2.090296 71 V 1.436519 3.571859 72 V 1.537628 2.295034 73 V 1.565317 3.080901 74 V 1.627852 2.372648 75 V 1.628340 3.505305 76 V 1.654945 2.572225 77 V 1.820237 2.867858 78 V 1.832119 2.553572 79 V 1.841465 2.985631 80 V 1.855175 2.756385 81 V 1.976323 3.449900 82 V 2.080734 4.108582 83 V 2.141457 3.720853 84 V 2.154337 3.752994 85 V 2.212194 3.233117 86 V 2.251057 3.919689 87 V 2.283984 4.198123 88 V 2.288566 3.136298 89 V 2.361205 3.532245 90 V 2.472761 3.721189 91 V 2.494788 4.110236 92 V 2.554712 4.072237 93 V 2.604959 3.974726 94 V 2.687953 4.138885 95 V 2.722079 4.223191 96 V 2.783134 4.529899 97 V 2.795629 6.040741 98 V 3.074086 5.672351 99 V 3.088750 5.915599 100 V 3.249179 5.168996 101 V 3.275726 6.006357 102 V 3.297783 5.263742 103 V 3.326655 6.045759 104 V 3.375923 5.529545 105 V 3.411950 5.867231 106 V 3.424142 5.200977 107 V 3.587657 5.743220 108 V 3.603202 6.175461 109 V 3.942112 6.531788 110 V 4.151167 6.202285 111 V 4.211657 6.478189 112 V 4.436497 7.317497 113 V 4.858904 11.567757 114 V 4.881046 11.688196 115 V 5.025628 11.802805 116 V 5.053511 11.716021 117 V 5.509177 11.937676 118 V 6.124458 12.604519 119 V 6.725482 10.164666 120 V 6.780650 10.254914 121 V 6.796783 10.171324 122 V 6.917066 10.404446 123 V 6.922898 10.343447 124 V 6.930103 10.494890 125 V 6.974043 10.385619 126 V 7.084720 10.567298 127 V 7.207037 10.789634 128 V 7.528626 11.048805 129 V 23.909675 60.350325 130 V 23.967326 60.421516 131 V 49.798440 123.699052 132 V 49.902189 123.716486 Total kinetic energy from orbitals= 2.281920468678D+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 Storage needed: 52920 in NPA, 70183 in NBO (********** available) GSVD: LWork= 4632 too small for GESVD, short by 20250 words or 20250 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99934 -10.08026 2 C 1 S Val( 2S) 1.11483 -0.31756 3 C 1 S Ryd( 3S) 0.00155 0.66093 4 C 1 S Ryd( 4S) 0.00020 0.76427 5 C 1 S Ryd( 5S) 0.00000 23.30347 6 C 1 px Val( 2p) 1.10149 -0.15400 7 C 1 px Ryd( 4p) 0.00139 0.58641 8 C 1 px Ryd( 3p) 0.00021 0.24745 9 C 1 px Ryd( 5p) 0.00012 2.83036 10 C 1 py Val( 2p) 1.21592 -0.15084 11 C 1 py Ryd( 4p) 0.00232 0.59005 12 C 1 py Ryd( 3p) 0.00018 0.27844 13 C 1 py Ryd( 5p) 0.00001 2.95567 14 C 1 pz Val( 2p) 1.21680 -0.15440 15 C 1 pz Ryd( 4p) 0.00014 0.52898 16 C 1 pz Ryd( 3p) 0.00009 0.21435 17 C 1 pz Ryd( 5p) 0.00002 2.94630 18 C 1 dxy Ryd( 3d) 0.00111 1.81766 19 C 1 dxy Ryd( 4d) 0.00017 3.01099 20 C 1 dxz Ryd( 3d) 0.00040 1.31464 21 C 1 dxz Ryd( 4d) 0.00011 2.63225 22 C 1 dyz Ryd( 3d) 0.00175 1.67961 23 C 1 dyz Ryd( 4d) 0.00001 2.95341 24 C 1 dx2y2 Ryd( 3d) 0.00086 1.61062 25 C 1 dx2y2 Ryd( 4d) 0.00010 2.85707 26 C 1 dz2 Ryd( 3d) 0.00132 1.68869 27 C 1 dz2 Ryd( 4d) 0.00002 2.97442 28 C 2 S Cor( 1S) 1.99942 -10.17457 29 C 2 S Val( 2S) 0.95654 -0.27115 30 C 2 S Ryd( 3S) 0.00611 0.65411 31 C 2 S Ryd( 4S) 0.00038 1.78984 32 C 2 S Ryd( 5S) 0.00001 21.59899 33 C 2 px Val( 2p) 1.08585 -0.11550 34 C 2 px Ryd( 4p) 0.00385 1.06141 35 C 2 px Ryd( 3p) 0.00069 0.35169 36 C 2 px Ryd( 5p) 0.00039 2.64282 37 C 2 py Val( 2p) 0.77909 -0.06776 38 C 2 py Ryd( 4p) 0.00873 0.76342 39 C 2 py Ryd( 3p) 0.00028 0.39905 40 C 2 py Ryd( 5p) 0.00025 2.64445 41 C 2 pz Val( 2p) 0.78859 -0.17402 42 C 2 pz Ryd( 4p) 0.00269 0.53609 43 C 2 pz Ryd( 3p) 0.00031 0.29813 44 C 2 pz Ryd( 5p) 0.00022 2.50723 45 C 2 dxy Ryd( 4d) 0.00126 3.13558 46 C 2 dxy Ryd( 3d) 0.00008 2.84867 47 C 2 dxz Ryd( 4d) 0.00021 2.50026 48 C 2 dxz Ryd( 3d) 0.00001 2.08747 49 C 2 dyz Ryd( 4d) 0.00113 2.73861 50 C 2 dyz Ryd( 3d) 0.00009 2.10465 51 C 2 dx2y2 Ryd( 4d) 0.00136 3.20799 52 C 2 dx2y2 Ryd( 3d) 0.00004 2.68371 53 C 2 dz2 Ryd( 4d) 0.00030 2.84328 54 C 2 dz2 Ryd( 3d) 0.00013 2.45343 55 O 3 S Cor( 1S) 1.99955 -19.08020 56 O 3 S Val( 2S) 1.59857 -0.94079 57 O 3 S Ryd( 3S) 0.00714 0.87285 58 O 3 S Ryd( 4S) 0.00007 1.84565 59 O 3 S Ryd( 5S) 0.00000 49.04936 60 O 3 px Val( 2p) 1.46141 -0.36993 61 O 3 px Ryd( 4p) 0.00545 0.99434 62 O 3 px Ryd( 3p) 0.00028 0.83606 63 O 3 px Ryd( 5p) 0.00009 5.05682 64 O 3 py Val( 2p) 1.53915 -0.41182 65 O 3 py Ryd( 4p) 0.00364 0.89916 66 O 3 py Ryd( 3p) 0.00020 0.79626 67 O 3 py Ryd( 5p) 0.00012 5.29529 68 O 3 pz Val( 2p) 1.48813 -0.37528 69 O 3 pz Ryd( 3p) 0.00045 0.62622 70 O 3 pz Ryd( 4p) 0.00005 0.68818 71 O 3 pz Ryd( 5p) 0.00000 4.84710 72 O 3 dxy Ryd( 3d) 0.00309 1.73471 73 O 3 dxy Ryd( 4d) 0.00011 6.90756 74 O 3 dxz Ryd( 3d) 0.00229 1.47492 75 O 3 dxz Ryd( 4d) 0.00000 6.65027 76 O 3 dyz Ryd( 3d) 0.00419 1.48995 77 O 3 dyz Ryd( 4d) 0.00002 6.69366 78 O 3 dx2y2 Ryd( 3d) 0.00685 2.11782 79 O 3 dx2y2 Ryd( 4d) 0.00003 7.05650 80 O 3 dz2 Ryd( 3d) 0.00303 1.73259 81 O 3 dz2 Ryd( 4d) 0.00002 6.79077 82 O 4 S Cor( 1S) 1.99993 -18.98176 83 O 4 S Val( 2S) 1.88623 -0.88309 84 O 4 S Ryd( 4S) 0.00354 1.29604 85 O 4 S Ryd( 3S) 0.00039 1.05206 86 O 4 S Ryd( 5S) 0.00000 49.61351 87 O 4 px Val( 2p) 1.00091 -0.19121 88 O 4 px Ryd( 3p) 0.00425 0.74641 89 O 4 px Ryd( 4p) 0.00015 0.77733 90 O 4 px Ryd( 5p) 0.00002 5.09901 91 O 4 py Val( 2p) 1.81098 -0.24820 92 O 4 py Ryd( 3p) 0.00222 0.74701 93 O 4 py Ryd( 4p) 0.00029 0.84547 94 O 4 py Ryd( 5p) 0.00000 4.95284 95 O 4 pz Val( 2p) 1.74537 -0.24873 96 O 4 pz Ryd( 3p) 0.00125 0.64136 97 O 4 pz Ryd( 4p) 0.00020 0.84012 98 O 4 pz Ryd( 5p) 0.00000 4.83160 99 O 4 dxy Ryd( 3d) 0.00092 2.49907 100 O 4 dxy Ryd( 4d) 0.00002 6.78482 101 O 4 dxz Ryd( 3d) 0.00078 2.30472 102 O 4 dxz Ryd( 4d) 0.00000 6.52994 103 O 4 dyz Ryd( 3d) 0.00021 2.12159 104 O 4 dyz Ryd( 4d) 0.00000 6.28765 105 O 4 dx2y2 Ryd( 3d) 0.00101 2.47534 106 O 4 dx2y2 Ryd( 4d) 0.00002 6.76371 107 O 4 dz2 Ryd( 3d) 0.00037 2.25446 108 O 4 dz2 Ryd( 4d) 0.00001 6.47938 109 H 5 S Val( 1S) 0.81423 -0.03746 110 H 5 S Ryd( 2S) 0.00262 0.77466 111 H 5 S Ryd( 3S) 0.00008 1.86929 112 H 5 px Ryd( 2p) 0.00059 2.52304 113 H 5 py Ryd( 2p) 0.00022 2.32882 114 H 5 pz Ryd( 2p) 0.00013 1.68747 115 H 6 S Val( 1S) 0.76599 -0.01456 116 H 6 S Ryd( 2S) 0.00074 0.55065 117 H 6 S Ryd( 3S) 0.00008 2.11498 118 H 6 px Ryd( 2p) 0.00012 1.92910 119 H 6 py Ryd( 2p) 0.00016 2.18769 120 H 6 pz Ryd( 2p) 0.00020 2.42988 121 H 7 S Val( 1S) 0.76599 -0.01456 122 H 7 S Ryd( 2S) 0.00074 0.55065 123 H 7 S Ryd( 3S) 0.00008 2.11498 124 H 7 px Ryd( 2p) 0.00012 1.92910 125 H 7 py Ryd( 2p) 0.00016 2.18769 126 H 7 pz Ryd( 2p) 0.00020 2.42988 127 H 8 S Val( 1S) 0.76403 -0.00148 128 H 8 S Ryd( 2S) 0.00144 0.76712 129 H 8 S Ryd( 3S) 0.00008 1.93422 130 H 8 px Ryd( 2p) 0.00018 2.40088 131 H 8 py Ryd( 2p) 0.00022 2.34819 132 H 8 pz Ryd( 2p) 0.00013 1.85298 WARNING: Population inversion found on atom C 1 Population inversion found on atom C 2 Population inversion found on atom O 3 Population inversion found on atom O 4 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 -0.66049 1.99934 4.64904 0.01211 6.66049 C 2 0.36198 1.99942 3.61008 0.02852 5.63802 O 3 -0.12392 1.99955 6.08725 0.03712 8.12392 O 4 -0.45905 1.99993 6.44348 0.01564 8.45905 H 5 0.18215 0.00000 0.81423 0.00363 0.81785 H 6 0.23271 0.00000 0.76599 0.00130 0.76729 H 7 0.23271 0.00000 0.76599 0.00130 0.76729 H 8 0.23392 0.00000 0.76403 0.00205 0.76608 ======================================================================= * Total * 0.00000 7.99824 23.90009 0.10166 32.00000 Natural Population -------------------------------------------------------- Core 7.99824 ( 99.9780% of 8) Valence 23.90009 ( 99.5837% of 24) Natural Minimal Basis 31.89834 ( 99.6823% of 32) Natural Rydberg Basis 0.10166 ( 0.3177% of 32) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 1.11)2p( 3.53)3d( 0.01) C 2 [core]2S( 0.96)2p( 2.65)3S( 0.01)4p( 0.02) O 3 [core]2S( 1.60)2p( 4.49)3S( 0.01)3d( 0.02)4p( 0.01) O 4 [core]2S( 1.89)2p( 4.56)3p( 0.01) H 5 1S( 0.81) H 6 1S( 0.77) H 7 1S( 0.77) H 8 1S( 0.76) 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 31.55751 0.44249 4 8 0 4 1 1 0.32 2(2) 1.90 31.29855 0.70145 4 8 0 4 1 1 0.49 3(3) 1.90 31.55751 0.44249 4 8 0 4 1 1 0.32 4(1) 1.80 31.55751 0.44249 4 8 0 4 1 1 0.32 5(2) 1.80 31.29855 0.70145 4 8 0 4 1 1 0.49 6(3) 1.80 31.55751 0.44249 4 8 0 4 1 1 0.32 7(1) 1.70 31.55751 0.44249 4 8 0 4 0 1 0.32 8(2) 1.70 31.55751 0.44249 4 8 0 4 0 1 0.32 9(1) 1.60 31.55751 0.44249 4 8 0 4 0 1 0.32 10(2) 1.60 31.55751 0.44249 4 8 0 4 0 1 0.32 11(1) 1.50 31.55751 0.44249 4 8 0 4 0 1 0.32 12(2) 1.50 31.55751 0.44249 4 8 0 4 0 1 0.32 13(1) 1.90 31.55751 0.44249 4 8 0 4 1 1 0.32 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure -------------------------------------------------------- Core 7.99824 ( 99.978% of 8) Valence Lewis 23.55927 ( 98.164% of 24) ================== ============================ Total Lewis 31.55751 ( 98.617% of 32) ----------------------------------------------------- Valence non-Lewis 0.39574 ( 1.237% of 32) Rydberg non-Lewis 0.04675 ( 0.146% of 32) ================== ============================ Total non-Lewis 0.44249 ( 1.383% of 32) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.98540) BD ( 1) C 1 - C 2 ( 50.39%) 0.7099* C 1 s( 28.06%)p 2.56( 71.80%)d 0.01( 0.14%) 0.0003 0.5290 -0.0254 0.0056 -0.0000 0.7798 -0.0236 -0.0090 -0.0027 -0.3306 0.0061 0.0043 0.0013 0.0000 0.0000 0.0000 0.0000 -0.0246 0.0014 0.0000 -0.0000 -0.0000 0.0000 0.0219 0.0000 -0.0183 -0.0003 ( 49.61%) 0.7044* C 2 s( 38.82%)p 1.58( 61.15%)d 0.00( 0.03%) -0.0003 0.6228 -0.0177 0.0051 -0.0016 -0.7226 -0.0039 0.0138 0.0083 0.2981 -0.0094 -0.0056 -0.0031 0.0000 0.0000 0.0000 0.0000 -0.0077 0.0042 0.0000 0.0000 0.0000 0.0000 0.0141 -0.0033 -0.0062 0.0018 2. (1.96685) BD ( 1) C 1 - H 6 ( 61.37%) 0.7834* C 1 s( 23.53%)p 3.25( 76.37%)d 0.00( 0.10%) -0.0001 0.4850 0.0076 -0.0012 -0.0000 -0.1156 0.0121 -0.0028 0.0012 0.5009 0.0039 0.0020 -0.0004 0.7066 0.0064 0.0013 0.0013 -0.0012 -0.0002 0.0041 -0.0050 0.0262 0.0009 -0.0069 -0.0022 0.0154 0.0020 ( 38.63%) 0.6215* H 6 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0013 0.0002 0.0019 -0.0094 -0.0128 3. (1.96685) BD ( 1) C 1 - H 7 ( 61.37%) 0.7834* C 1 s( 23.53%)p 3.25( 76.37%)d 0.00( 0.10%) -0.0001 0.4850 0.0076 -0.0012 -0.0000 -0.1156 0.0121 -0.0028 0.0012 0.5009 0.0039 0.0020 -0.0004 -0.7066 -0.0064 -0.0013 -0.0013 -0.0012 -0.0002 -0.0041 0.0050 -0.0262 -0.0009 -0.0069 -0.0022 0.0154 0.0020 ( 38.63%) 0.6215* H 7 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0013 0.0002 0.0019 -0.0094 0.0128 4. (1.98644) BD ( 1) C 1 - H 8 ( 61.69%) 0.7854* C 1 s( 24.96%)p 3.00( 74.97%)d 0.00( 0.07%) 0.0000 0.4995 0.0086 -0.0018 0.0001 -0.6019 0.0036 -0.0040 -0.0014 -0.6222 -0.0147 0.0009 -0.0006 0.0000 0.0000 0.0000 0.0000 0.0190 0.0072 0.0000 0.0000 -0.0000 0.0000 -0.0054 -0.0002 -0.0169 -0.0010 ( 38.31%) 0.6189* H 8 s( 99.97%)p 0.00( 0.03%) 0.9999 0.0017 0.0003 0.0116 0.0124 0.0000 5. (1.99717) BD ( 1) C 2 - O 3 ( 31.30%) 0.5595* C 2 s( 27.99%)p 2.57( 71.84%)d 0.01( 0.16%) -0.0000 0.5269 -0.0463 -0.0117 0.0005 0.1085 -0.0124 -0.0016 0.0027 -0.8371 0.0753 0.0022 -0.0061 0.0000 0.0000 0.0000 0.0000 -0.0072 0.0014 0.0000 0.0000 0.0000 0.0000 -0.0349 0.0058 -0.0176 0.0056 ( 68.70%) 0.8288* O 3 s( 39.79%)p 1.50( 59.83%)d 0.01( 0.38%) 0.0000 0.6306 -0.0172 -0.0030 0.0002 -0.0699 0.0075 0.0037 -0.0010 0.7703 -0.0017 -0.0061 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0010 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0532 -0.0017 -0.0303 -0.0003 6. (1.98787) BD ( 2) C 2 - O 3 ( 29.29%) 0.5412* C 2 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 0.9984 0.0304 0.0180 0.0138 0.0000 0.0000 0.0038 0.0015 -0.0415 -0.0099 0.0000 0.0000 0.0000 0.0000 ( 70.71%) 0.8409* O 3 s( 0.00%)p 1.00( 99.72%)d 0.00( 0.28%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9986 0.0017 0.0052 -0.0006 0.0000 0.0000 0.0113 -0.0008 0.0519 -0.0008 0.0000 0.0000 0.0000 0.0000 7. (1.98859) BD ( 1) C 2 - H 5 ( 59.81%) 0.7734* C 2 s( 33.40%)p 1.99( 66.54%)d 0.00( 0.05%) 0.0001 0.5767 0.0384 0.0006 0.0009 0.6810 0.0123 -0.0003 -0.0093 0.4488 0.0053 0.0016 0.0020 0.0000 0.0000 0.0000 0.0000 0.0181 -0.0044 0.0000 0.0000 0.0000 0.0000 0.0126 -0.0008 -0.0046 0.0039 ( 40.19%) 0.6339* H 5 s( 99.92%)p 0.00( 0.08%) 0.9996 0.0062 -0.0002 -0.0244 -0.0142 0.0000 8. (1.98714) BD ( 1) O 3 - O 4 ( 63.43%) 0.7964* O 3 s( 21.21%)p 3.70( 78.56%)d 0.01( 0.23%) -0.0000 0.4584 -0.0448 0.0019 -0.0003 0.8328 -0.0198 -0.0054 -0.0069 -0.2990 0.0479 0.0004 -0.0008 0.0000 0.0000 0.0000 0.0000 0.0005 -0.0029 0.0000 0.0000 0.0000 0.0000 0.0372 0.0022 -0.0298 0.0024 ( 36.57%) 0.6047* O 4 s( 8.81%)p10.33( 91.01%)d 0.02( 0.19%) 0.0000 0.2896 -0.0645 0.0071 0.0000 -0.8781 0.0728 0.0086 0.0007 0.3643 -0.0276 -0.0095 0.0006 0.0000 0.0000 0.0000 0.0000 -0.0260 -0.0039 0.0000 0.0000 0.0000 0.0000 0.0268 0.0015 -0.0215 -0.0018 9. (1.99934) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 -0.0001 0.0000 -0.0000 0.0000 -0.0003 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. (1.99942) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 -0.0000 0.0000 -0.0000 -0.0003 -0.0000 0.0000 0.0000 0.0001 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 11. (1.99955) CR ( 1) O 3 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 -0.0001 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 12. (1.99993) CR ( 1) O 4 s(100.00%) 1.0000 0.0001 0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0001 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 13. (1.97435) LP ( 1) O 3 s( 39.15%)p 1.55( 60.73%)d 0.00( 0.11%) -0.0002 0.6249 0.0329 0.0010 -0.0000 -0.5426 -0.0244 -0.0033 -0.0001 -0.5588 -0.0076 -0.0001 -0.0069 0.0000 0.0000 0.0000 0.0000 -0.0290 0.0030 0.0000 0.0000 0.0000 0.0000 0.0058 0.0014 0.0158 0.0006 14. (1.99263) LP ( 1) O 4 s( 83.33%)p 0.20( 16.66%)d 0.00( 0.00%) -0.0001 0.9128 0.0097 0.0011 -0.0000 0.3705 -0.0042 -0.0024 0.0016 0.1710 0.0085 0.0011 -0.0013 0.0000 0.0000 0.0000 0.0000 -0.0029 0.0011 0.0000 0.0000 0.0000 0.0000 -0.0054 0.0002 0.0007 0.0009 15. (1.97955) LP ( 2) O 4 s( 8.25%)p11.12( 91.73%)d 0.00( 0.03%) -0.0001 0.2870 -0.0071 -0.0058 0.0000 -0.2843 -0.0061 -0.0028 -0.0001 -0.9144 -0.0152 -0.0016 0.0001 -0.0000 -0.0000 -0.0000 -0.0000 0.0105 -0.0004 -0.0000 -0.0000 -0.0000 -0.0000 0.0128 -0.0012 0.0029 -0.0008 16. (1.74643) LP ( 3) O 4 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9997 0.0131 0.0030 -0.0002 0.0000 0.0000 -0.0183 0.0011 0.0096 -0.0008 0.0000 0.0000 0.0000 0.0000 17. (0.00266) RY*( 1) C 1 s( 15.51%)p 4.93( 76.42%)d 0.52( 8.07%) -0.0000 -0.0001 0.3934 0.0187 -0.0038 0.0246 0.1479 0.1070 -0.0583 0.0042 -0.8479 0.0805 0.0378 -0.0000 -0.0000 -0.0000 -0.0000 -0.0902 0.1845 -0.0000 0.0000 -0.0000 -0.0000 -0.1151 0.1432 -0.0687 0.0043 18. (0.00079) RY*( 2) C 1 s( 35.25%)p 1.77( 62.28%)d 0.07( 2.47%) -0.0000 0.0033 0.5151 0.2948 0.0164 0.0262 0.6073 0.1447 -0.0527 -0.0233 0.3663 -0.3060 0.0362 -0.0000 -0.0000 -0.0000 -0.0000 -0.0093 0.0063 -0.0000 0.0000 -0.0000 -0.0000 -0.1458 0.0117 0.0536 0.0167 19. (0.00053) RY*( 3) C 1 s( 0.00%)p 1.00( 15.53%)d 5.44( 84.47%) 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0102 0.2234 0.2743 -0.1734 -0.0000 0.0000 0.7806 -0.0928 -0.4735 -0.0508 0.0000 -0.0000 -0.0000 -0.0000 20. (0.00033) RY*( 4) C 1 s( 34.70%)p 1.36( 47.16%)d 0.52( 18.14%) 0.0000 -0.0015 0.2440 0.5355 -0.0258 -0.0228 -0.5439 0.1934 -0.2617 0.0129 0.1850 0.1503 0.1111 -0.0000 -0.0000 -0.0000 -0.0000 -0.2724 0.2551 -0.0000 0.0000 -0.0000 -0.0000 0.1037 0.0579 -0.1669 -0.0121 21. (0.00028) RY*( 5) C 1 s( 2.12%)p19.81( 41.90%)d26.46( 55.98%) 0.0000 -0.0053 0.1124 -0.0786 -0.0482 -0.0035 0.2720 -0.1709 -0.4829 0.0055 -0.0157 0.2852 -0.0323 0.0000 0.0000 -0.0000 -0.0000 0.1114 -0.0071 0.0000 -0.0000 0.0000 -0.0000 0.6574 -0.3282 -0.0866 0.0032 22. (0.00017) RY*( 6) C 1 s( 0.00%)p 1.00( 30.15%)d 2.32( 69.85%) -0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0250 0.1744 -0.5161 0.0638 -0.0000 0.0000 0.3798 -0.5066 0.5066 -0.2025 -0.0000 0.0000 0.0000 0.0000 23. (0.00011) RY*( 7) C 1 s( 2.78%)p19.02( 52.90%)d15.94( 44.32%) -0.0000 -0.0034 -0.1130 0.1146 -0.0436 0.0078 0.1597 -0.3079 -0.3412 -0.0162 0.0883 0.5293 0.0634 0.0000 0.0000 -0.0000 0.0000 -0.0089 0.0379 0.0000 -0.0000 0.0000 -0.0000 -0.4244 0.2257 0.3867 -0.2471 24. (0.00000) RY*( 8) C 1 s( 4.52%)p20.53( 92.91%)d 0.57( 2.56%) 25. (0.00000) RY*( 9) C 1 s( 0.85%)p99.99( 98.44%)d 0.83( 0.70%) 26. (0.00001) RY*(10) C 1 s( 7.13%)p10.24( 73.04%)d 2.78( 19.83%) 27. (0.00000) RY*(11) C 1 s( 0.00%)p 1.00( 31.99%)d 2.13( 68.01%) 28. (0.00000) RY*(12) C 1 s( 0.00%)p 1.00( 97.34%)d 0.03( 2.66%) 29. (0.00000) RY*(13) C 1 s( 7.60%)p 0.93( 7.05%)d11.24( 85.35%) 30. (0.00000) RY*(14) C 1 s( 9.07%)p 0.59( 5.36%)d 9.43( 85.57%) 31. (0.00000) RY*(15) C 1 s( 98.60%)p 0.01( 1.26%)d 0.00( 0.13%) 32. (0.00000) RY*(16) C 1 s( 0.00%)p 1.00( 33.51%)d 1.98( 66.49%) 33. (0.00000) RY*(17) C 1 s( 0.00%)p 1.00( 90.71%)d 0.10( 9.29%) 34. (0.00000) RY*(18) C 1 s( 0.00%)p 1.00( 0.93%)d99.99( 99.07%) 35. (0.00000) RY*(19) C 1 s( 64.09%)p 0.17( 11.09%)d 0.39( 24.82%) 36. (0.00000) RY*(20) C 1 s( 0.56%)p 2.98( 1.66%)d99.99( 97.78%) 37. (0.00000) RY*(21) C 1 s( 16.75%)p 1.53( 25.56%)d 3.44( 57.69%) 38. (0.00000) RY*(22) C 1 s( 0.39%)p 8.52( 3.31%)d99.99( 96.31%) 39. (0.00962) RY*( 1) C 2 s( 31.22%)p 2.01( 62.68%)d 0.20( 6.10%) 0.0000 0.0305 0.5561 -0.0446 -0.0081 -0.0166 0.4966 0.0377 0.0357 -0.0777 -0.6028 -0.0127 0.0873 0.0000 0.0000 0.0000 0.0000 0.2391 -0.0406 0.0000 0.0000 0.0000 0.0000 -0.0007 -0.0036 0.0286 0.0368 40. (0.00272) RY*( 2) C 2 s( 0.79%)p99.99( 86.59%)d15.92( 12.62%) 0.0000 -0.0198 0.0173 0.0755 0.0391 -0.0258 0.6269 -0.2873 0.0047 0.0234 0.6189 0.0280 -0.0726 0.0000 0.0000 0.0000 0.0000 0.3347 0.0451 0.0000 0.0000 0.0000 0.0000 0.0864 0.0009 -0.0227 -0.0648 41. (0.00174) RY*( 3) C 2 s( 0.00%)p 1.00( 97.09%)d 0.03( 2.91%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0194 0.9107 -0.3393 0.1615 0.0000 0.0000 0.1131 -0.0043 0.1250 -0.0267 0.0000 0.0000 0.0000 0.0000 42. (0.00116) RY*( 4) C 2 s( 29.19%)p 1.86( 54.33%)d 0.56( 16.48%) 0.0000 0.0022 0.5296 -0.1065 0.0072 -0.0252 -0.4895 -0.3714 -0.0081 -0.0140 0.2325 -0.2217 0.2485 0.0000 0.0000 0.0000 0.0000 0.2491 0.0047 0.0000 0.0000 0.0000 0.0000 0.1528 0.0250 0.1832 0.2124 43. (0.00099) RY*( 5) C 2 s( 0.00%)p 1.00( 1.44%)d68.53( 98.56%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0431 -0.0581 -0.0600 -0.0745 0.0000 0.0000 -0.4576 -0.1140 0.8312 0.2691 0.0000 0.0000 0.0000 0.0000 44. (0.00060) RY*( 6) C 2 s( 17.62%)p 3.52( 61.95%)d 1.16( 20.43%) 0.0000 -0.0003 -0.1149 0.4027 -0.0284 0.0081 0.0969 0.3692 -0.3141 -0.0239 0.0230 -0.5327 0.3004 0.0000 0.0000 0.0000 0.0000 0.0250 -0.0495 0.0000 0.0000 0.0000 0.0000 0.4375 0.0006 0.0982 -0.0150 45. (0.00041) RY*( 7) C 2 s( 29.02%)p 1.16( 33.59%)d 1.29( 37.38%) 0.0000 0.0065 0.1051 0.5260 0.0500 -0.0108 -0.0805 -0.1759 -0.5377 0.0059 -0.0458 0.0836 -0.0136 0.0000 0.0000 0.0000 0.0000 0.0586 0.1928 0.0000 0.0000 0.0000 0.0000 -0.5594 -0.0907 0.0719 -0.0830 46. (0.00010) RY*( 8) C 2 s( 20.31%)p 3.40( 69.09%)d 0.52( 10.60%) 0.0000 -0.0152 0.4274 0.1349 -0.0450 -0.0112 -0.1237 0.6428 0.2471 0.0081 0.3323 -0.0810 -0.2900 0.0000 0.0000 0.0000 0.0000 0.1087 -0.0566 0.0000 0.0000 0.0000 0.0000 -0.2555 -0.0462 -0.1285 -0.0840 47. (0.00005) RY*( 9) C 2 s( 29.30%)p 1.10( 32.34%)d 1.31( 38.36%) 48. (0.00000) RY*(10) C 2 s( 91.20%)p 0.01( 0.67%)d 0.09( 8.13%) 49. (0.00000) RY*(11) C 2 s( 0.00%)p 1.00( 99.40%)d 0.01( 0.60%) 50. (0.00000) RY*(12) C 2 s( 0.00%)p 1.00( 99.54%)d 0.00( 0.46%) 51. (0.00000) RY*(13) C 2 s( 13.41%)p 0.84( 11.31%)d 5.61( 75.28%) 52. (0.00000) RY*(14) C 2 s( 0.83%)p 3.32( 2.74%)d99.99( 96.43%) 53. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 2.56%)d38.04( 97.44%) 54. (0.00000) RY*(16) C 2 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 55. (0.00000) RY*(17) C 2 s( 19.10%)p 3.64( 69.50%)d 0.60( 11.40%) 56. (0.00000) RY*(18) C 2 s( 0.00%)p 1.00( 0.16%)d99.99( 99.84%) 57. (0.00000) RY*(19) C 2 s( 0.93%)p99.86( 92.56%)d 7.03( 6.52%) 58. (0.00000) RY*(20) C 2 s( 0.67%)p 0.45( 0.30%)d99.99( 99.03%) 59. (0.00000) RY*(21) C 2 s( 1.29%)p 7.28( 9.36%)d69.46( 89.35%) 60. (0.00000) RY*(22) C 2 s( 14.90%)p 0.90( 13.46%)d 4.81( 71.64%) 61. (0.00615) RY*( 1) O 3 s( 30.68%)p 1.76( 54.09%)d 0.50( 15.23%) 0.0000 0.0065 0.5533 0.0248 -0.0009 0.0287 -0.6988 -0.0018 0.0500 0.0354 -0.1897 0.1013 -0.0422 -0.0000 -0.0000 -0.0000 -0.0000 0.3044 0.0891 -0.0000 -0.0000 -0.0000 -0.0000 0.1980 -0.0088 0.1108 0.0119 62. (0.00310) RY*( 2) O 3 s( 0.00%)p 1.00( 8.56%)d10.68( 91.44%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0199 0.2898 0.0142 -0.0320 0.0000 0.0000 0.7700 -0.0123 -0.5631 -0.0646 0.0000 0.0000 0.0000 0.0000 63. (0.00237) RY*( 3) O 3 s( 0.71%)p40.13( 28.57%)d99.35( 70.72%) -0.0000 0.0230 0.0781 0.0222 0.0013 -0.0337 0.4156 -0.2491 -0.0313 0.0246 0.1840 0.1164 -0.0272 0.0000 0.0000 0.0000 0.0000 0.4939 -0.1167 0.0000 0.0000 0.0000 0.0000 0.6667 0.0636 -0.0179 0.0265 64. (0.00090) RY*( 4) O 3 s( 33.62%)p 1.19( 39.89%)d 0.79( 26.49%) 0.0000 0.0079 0.5441 -0.2001 -0.0061 0.0483 0.3572 -0.2138 0.0822 0.0028 -0.4649 0.0034 0.0173 0.0000 0.0000 0.0000 0.0000 -0.4423 0.0228 0.0000 0.0000 0.0000 0.0000 0.0981 0.0299 -0.2400 -0.0249 65. (0.00054) RY*( 5) O 3 s( 5.95%)p11.25( 66.95%)d 4.55( 27.10%) -0.0000 -0.0250 0.2174 -0.1074 -0.0094 -0.0292 -0.2056 -0.0955 0.0133 0.0285 0.7268 -0.2959 0.0229 0.0000 0.0000 0.0000 0.0000 -0.3864 0.0972 0.0000 0.0000 0.0000 0.0000 0.2135 0.0197 -0.2470 0.0725 66. (0.00021) RY*( 6) O 3 s( 0.00%)p 1.00( 81.23%)d 0.23( 18.77%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0218 0.8868 0.1554 -0.0353 0.0000 0.0000 -0.0707 -0.0720 0.3859 -0.1691 0.0000 0.0000 0.0000 0.0000 67. (0.00016) RY*( 7) O 3 s( 26.99%)p 1.21( 32.53%)d 1.50( 40.48%) 0.0000 0.0092 0.5185 0.0235 -0.0199 0.0346 0.3300 0.1458 -0.0630 -0.0258 0.2638 -0.2271 -0.2610 0.0000 0.0000 0.0000 0.0000 0.3214 -0.0731 0.0000 0.0000 0.0000 0.0000 -0.5115 0.0743 0.1685 0.0256 68. (0.00003) RY*( 8) O 3 s( 2.42%)p 5.87( 14.22%)d34.41( 83.36%) 69. (0.00000) RY*( 9) O 3 s( 1.48%)p57.77( 85.37%)d 8.90( 13.15%) 70. (0.00000) RY*(10) O 3 s( 94.72%)p 0.01( 1.01%)d 0.05( 4.27%) 71. (0.00000) RY*(11) O 3 s( 0.00%)p 1.00( 99.64%)d 0.00( 0.36%) 72. (0.00000) RY*(12) O 3 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 73. (0.00001) RY*(13) O 3 s( 1.07%)p80.85( 86.88%)d11.20( 12.04%) 74. (0.00000) RY*(14) O 3 s( 0.11%)p21.99( 2.40%)d99.99( 97.49%) 75. (0.00000) RY*(15) O 3 s( 0.35%)p99.99( 97.19%)d 7.04( 2.46%) 76. (0.00000) RY*(16) O 3 s( 0.00%)p 1.00( 0.47%)d99.99( 99.53%) 77. (0.00000) RY*(17) O 3 s( 0.00%)p 1.00( 7.30%)d12.71( 92.70%) 78. (0.00000) RY*(18) O 3 s( 0.00%)p 1.00( 3.14%)d30.89( 96.86%) 79. (0.00000) RY*(19) O 3 s( 99.92%)p 0.00( 0.03%)d 0.00( 0.06%) 80. (0.00000) RY*(20) O 3 s( 0.23%)p 2.92( 0.69%)d99.99( 99.08%) 81. (0.00001) RY*(21) O 3 s( 1.56%)p57.68( 90.12%)d 5.33( 8.32%) 82. (0.00000) RY*(22) O 3 s( 0.02%)p42.81( 0.94%)d99.99( 99.04%) 83. (0.00192) RY*( 1) O 4 s( 14.65%)p 4.84( 70.94%)d 0.98( 14.41%) 0.0000 0.0050 0.3196 0.2104 0.0046 -0.0319 0.2108 -0.1595 -0.0584 0.0008 0.7629 -0.2298 0.0153 0.0000 0.0000 0.0000 0.0000 0.3335 -0.0277 0.0000 0.0000 0.0000 0.0000 0.1604 0.0338 0.0704 -0.0170 84. (0.00138) RY*( 2) O 4 s( 0.00%)p 1.00( 82.67%)d 0.21( 17.33%) 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 -0.0012 0.8305 -0.3698 0.0115 0.0000 0.0000 0.3739 0.0046 -0.1829 0.0064 0.0000 0.0000 0.0000 0.0000 85. (0.00043) RY*( 3) O 4 s( 48.45%)p 0.92( 44.70%)d 0.14( 6.85%) 0.0000 0.0130 0.3538 0.5993 -0.0051 -0.0602 -0.4711 -0.0564 -0.0533 0.0154 -0.0072 0.4636 0.0111 0.0000 0.0000 0.0000 0.0000 -0.0434 0.0019 0.0000 0.0000 0.0000 0.0000 -0.2134 0.1355 0.0183 -0.0488 86. (0.00019) RY*( 4) O 4 s( 33.38%)p 1.74( 58.03%)d 0.26( 8.59%) -0.0000 -0.0162 -0.2517 0.5198 -0.0045 0.0684 0.6719 -0.2693 -0.0406 -0.0309 -0.1900 0.1135 -0.0068 -0.0000 -0.0000 -0.0000 -0.0000 -0.0635 -0.0098 -0.0000 -0.0000 -0.0000 -0.0000 -0.0558 0.1431 -0.2377 0.0416 87. (0.00003) RY*( 5) O 4 s( 20.19%)p 1.21( 24.34%)d 2.75( 55.47%) 88. (0.00000) RY*( 6) O 4 s( 34.52%)p 1.52( 52.41%)d 0.38( 13.07%) 89. (0.00000) RY*( 7) O 4 s( 99.98%)p 0.00( 0.01%)d 0.00( 0.01%) 90. (0.00000) RY*( 8) O 4 s( 0.02%)p99.99( 99.98%)d 0.32( 0.01%) 91. (0.00000) RY*( 9) O 4 s( 12.13%)p 2.68( 32.53%)d 4.56( 55.34%) 92. (0.00000) RY*(10) O 4 s( 15.27%)p 5.19( 79.33%)d 0.35( 5.40%) 93. (0.00000) RY*(11) O 4 s( 0.00%)p 1.00( 99.27%)d 0.01( 0.73%) 94. (0.00000) RY*(12) O 4 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 95. (0.00000) RY*(13) O 4 s( 9.52%)p 3.63( 34.58%)d 5.87( 55.91%) 96. (0.00000) RY*(14) O 4 s( 0.07%)p 1.73( 0.12%)d99.99( 99.81%) 97. (0.00000) RY*(15) O 4 s( 0.00%)p 1.00( 13.47%)d 6.42( 86.53%) 98. (0.00000) RY*(16) O 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 99. (0.00000) RY*(17) O 4 s( 0.00%)p 1.00( 4.63%)d20.58( 95.37%) 100. (0.00000) RY*(18) O 4 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 101. (0.00000) RY*(19) O 4 s( 0.30%)p99.99( 98.14%)d 5.15( 1.56%) 102. (0.00000) RY*(20) O 4 s( 7.12%)p 0.19( 1.34%)d12.86( 91.54%) 103. (0.00000) RY*(21) O 4 s( 2.57%)p 1.14( 2.93%)d36.70( 94.49%) 104. (0.00000) RY*(22) O 4 s( 1.43%)p 0.87( 1.25%)d67.95( 97.32%) 105. (0.00266) RY*( 1) H 5 s( 99.66%)p 0.00( 0.34%) -0.0062 0.9983 -0.0007 -0.0292 0.0500 0.0000 106. (0.00013) RY*( 2) H 5 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 107. (0.00010) RY*( 3) H 5 s( 30.65%)p 2.26( 69.35%) 0.0142 0.0388 0.5521 0.7709 -0.3150 0.0000 108. (0.00007) RY*( 4) H 5 s( 67.20%)p 0.49( 32.80%) 109. (0.00003) RY*( 5) H 5 s( 2.56%)p37.99( 97.44%) 110. (0.00077) RY*( 1) H 6 s( 95.30%)p 0.05( 4.70%) -0.0035 0.9762 0.0023 0.1839 -0.0711 -0.0903 111. (0.00011) RY*( 2) H 6 s( 27.05%)p 2.70( 72.95%) 0.0036 -0.1078 0.5088 0.7569 -0.0083 0.3956 112. (0.00011) RY*( 3) H 6 s( 0.20%)p99.99( 99.80%) -0.0009 0.0326 -0.0307 -0.2462 -0.8278 0.5020 113. (0.00008) RY*( 4) H 6 s( 74.13%)p 0.35( 25.87%) 114. (0.00003) RY*( 5) H 6 s( 3.35%)p28.89( 96.65%) 115. (0.00077) RY*( 1) H 7 s( 95.30%)p 0.05( 4.70%) -0.0035 0.9762 0.0023 0.1839 -0.0711 0.0903 116. (0.00011) RY*( 2) H 7 s( 27.05%)p 2.70( 72.95%) 0.0036 -0.1078 0.5088 0.7569 -0.0083 -0.3956 117. (0.00011) RY*( 3) H 7 s( 0.20%)p99.99( 99.80%) -0.0009 0.0326 -0.0307 -0.2462 -0.8278 -0.5020 118. (0.00008) RY*( 4) H 7 s( 74.13%)p 0.35( 25.87%) 119. (0.00003) RY*( 5) H 7 s( 3.35%)p28.89( 96.65%) 120. (0.00145) RY*( 1) H 8 s( 99.12%)p 0.01( 0.88%) -0.0026 0.9956 -0.0000 0.0926 -0.0153 0.0000 121. (0.00012) RY*( 2) H 8 s( 22.98%)p 3.35( 77.02%) 0.0051 -0.0486 0.4768 0.3933 -0.7846 -0.0000 122. (0.00013) RY*( 3) H 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 0.0000 0.0000 1.0000 123. (0.00009) RY*( 4) H 8 s( 58.43%)p 0.71( 41.57%) 124. (0.00004) RY*( 5) H 8 s( 19.50%)p 4.13( 80.50%) 125. (0.01187) BD*( 1) C 1 - C 2 ( 49.61%) 0.7044* C 1 s( 28.06%)p 2.56( 71.80%)d 0.01( 0.14%) -0.0003 -0.5290 0.0254 -0.0056 0.0000 -0.7798 0.0236 0.0090 0.0027 0.3306 -0.0061 -0.0043 -0.0013 -0.0000 -0.0000 -0.0000 -0.0000 0.0246 -0.0014 -0.0000 0.0000 0.0000 -0.0000 -0.0219 -0.0000 0.0183 0.0003 ( 50.39%) -0.7099* C 2 s( 38.82%)p 1.58( 61.15%)d 0.00( 0.03%) 0.0003 -0.6228 0.0177 -0.0051 0.0016 0.7226 0.0039 -0.0138 -0.0083 -0.2981 0.0094 0.0056 0.0031 -0.0000 -0.0000 -0.0000 -0.0000 0.0077 -0.0042 -0.0000 -0.0000 -0.0000 -0.0000 -0.0141 0.0033 0.0062 -0.0018 126. (0.01057) BD*( 1) C 1 - H 6 ( 38.63%) 0.6215* C 1 s( 23.53%)p 3.25( 76.37%)d 0.00( 0.10%) 0.0001 -0.4850 -0.0076 0.0012 0.0000 0.1156 -0.0121 0.0028 -0.0012 -0.5009 -0.0039 -0.0020 0.0004 -0.7066 -0.0064 -0.0013 -0.0013 0.0012 0.0002 -0.0041 0.0050 -0.0262 -0.0009 0.0069 0.0022 -0.0154 -0.0020 ( 61.37%) -0.7834* H 6 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0013 -0.0002 -0.0019 0.0094 0.0128 127. (0.01057) BD*( 1) C 1 - H 7 ( 38.63%) 0.6215* C 1 s( 23.53%)p 3.25( 76.37%)d 0.00( 0.10%) 0.0001 -0.4850 -0.0076 0.0012 0.0000 0.1156 -0.0121 0.0028 -0.0012 -0.5009 -0.0039 -0.0020 0.0004 0.7066 0.0064 0.0013 0.0013 0.0012 0.0002 0.0041 -0.0050 0.0262 0.0009 0.0069 0.0022 -0.0154 -0.0020 ( 61.37%) -0.7834* H 7 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0013 -0.0002 -0.0019 0.0094 -0.0128 128. (0.00533) BD*( 1) C 1 - H 8 ( 38.31%) 0.6189* C 1 s( 24.96%)p 3.00( 74.97%)d 0.00( 0.07%) -0.0000 -0.4995 -0.0086 0.0018 -0.0001 0.6019 -0.0036 0.0040 0.0014 0.6222 0.0147 -0.0009 0.0006 -0.0000 -0.0000 -0.0000 -0.0000 -0.0190 -0.0072 -0.0000 -0.0000 0.0000 -0.0000 0.0054 0.0002 0.0169 0.0010 ( 61.69%) -0.7854* H 8 s( 99.97%)p 0.00( 0.03%) -0.9999 -0.0017 -0.0003 -0.0116 -0.0124 -0.0000 129. (0.02103) BD*( 1) C 2 - O 3 ( 68.70%) 0.8288* C 2 s( 27.99%)p 2.57( 71.84%)d 0.01( 0.16%) -0.0000 0.5269 -0.0463 -0.0117 0.0005 0.1085 -0.0124 -0.0016 0.0027 -0.8371 0.0753 0.0022 -0.0061 0.0000 0.0000 0.0000 0.0000 -0.0072 0.0014 0.0000 0.0000 0.0000 0.0000 -0.0349 0.0058 -0.0176 0.0056 ( 31.30%) -0.5595* O 3 s( 39.79%)p 1.50( 59.83%)d 0.01( 0.38%) 0.0000 0.6306 -0.0172 -0.0030 0.0002 -0.0699 0.0075 0.0037 -0.0010 0.7703 -0.0017 -0.0061 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0010 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0532 -0.0017 -0.0303 -0.0003 130. (0.29448) BD*( 2) C 2 - O 3 ( 70.71%) 0.8409* C 2 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 0.9984 0.0304 0.0180 0.0138 0.0000 0.0000 0.0038 0.0015 -0.0415 -0.0099 0.0000 0.0000 0.0000 0.0000 ( 29.29%) -0.5412* O 3 s( 0.00%)p 1.00( 99.72%)d 0.00( 0.28%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.9986 0.0017 0.0052 -0.0006 0.0000 0.0000 0.0113 -0.0008 0.0519 -0.0008 0.0000 0.0000 0.0000 0.0000 131. (0.02633) BD*( 1) C 2 - H 5 ( 40.19%) 0.6339* C 2 s( 33.40%)p 1.99( 66.54%)d 0.00( 0.05%) -0.0001 -0.5767 -0.0384 -0.0006 -0.0009 -0.6810 -0.0123 0.0003 0.0093 -0.4488 -0.0053 -0.0016 -0.0020 -0.0000 -0.0000 -0.0000 -0.0000 -0.0181 0.0044 -0.0000 -0.0000 -0.0000 -0.0000 -0.0126 0.0008 0.0046 -0.0039 ( 59.81%) -0.7734* H 5 s( 99.92%)p 0.00( 0.08%) -0.9996 -0.0062 0.0002 0.0244 0.0142 -0.0000 132. (0.01556) BD*( 1) O 3 - O 4 ( 36.57%) 0.6047* O 3 s( 21.21%)p 3.70( 78.56%)d 0.01( 0.23%) 0.0000 -0.4584 0.0448 -0.0019 0.0003 -0.8328 0.0198 0.0054 0.0069 0.2990 -0.0479 -0.0004 0.0008 -0.0000 -0.0000 -0.0000 -0.0000 -0.0005 0.0029 -0.0000 -0.0000 -0.0000 -0.0000 -0.0372 -0.0022 0.0298 -0.0024 ( 63.43%) -0.7964* O 4 s( 8.81%)p10.33( 91.01%)d 0.02( 0.19%) -0.0000 -0.2896 0.0645 -0.0071 -0.0000 0.8781 -0.0728 -0.0086 -0.0007 -0.3643 0.0276 0.0095 -0.0006 -0.0000 -0.0000 -0.0000 -0.0000 0.0260 0.0039 -0.0000 -0.0000 -0.0000 -0.0000 -0.0268 -0.0015 0.0215 0.0018 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 90.0 337.2 -- -- -- 90.0 158.3 1.1 5. BD ( 1) C 2 - O 3 90.0 276.4 -- -- -- 90.0 94.5 1.9 6. BD ( 2) C 2 - O 3 90.0 276.4 0.0 0.0 90.0 0.0 0.0 90.0 8. BD ( 1) O 3 - O 4 90.0 337.7 90.0 342.6 4.9 -- -- -- 13. LP ( 1) O 3 -- -- 90.0 225.1 -- -- -- -- 15. LP ( 2) O 4 -- -- 90.0 252.5 -- -- -- -- 16. LP ( 3) O 4 -- -- 0.0 0.0 -- -- -- -- 130. BD*( 2) C 2 - O 3 90.0 276.4 0.0 0.0 90.0 0.0 0.0 90.0 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 1.26 1.53 0.039 1. BD ( 1) C 1 - C 2 /132. BD*( 1) O 3 - O 4 4.58 0.89 0.057 2. BD ( 1) C 1 - H 6 /129. BD*( 1) C 2 - O 3 1.32 1.00 0.033 2. BD ( 1) C 1 - H 6 /130. BD*( 2) C 2 - O 3 5.54 0.46 0.049 3. BD ( 1) C 1 - H 7 /129. BD*( 1) C 2 - O 3 1.32 1.00 0.033 3. BD ( 1) C 1 - H 7 /130. BD*( 2) C 2 - O 3 5.54 0.46 0.049 4. BD ( 1) C 1 - H 8 /129. BD*( 1) C 2 - O 3 1.72 1.01 0.037 4. BD ( 1) C 1 - H 8 /131. BD*( 1) C 2 - H 5 3.37 0.90 0.049 5. BD ( 1) C 2 - O 3 / 83. RY*( 1) O 4 0.53 2.23 0.031 5. BD ( 1) C 2 - O 3 / 85. RY*( 3) O 4 0.51 2.03 0.029 6. BD ( 2) C 2 - O 3 / 84. RY*( 2) O 4 1.34 1.60 0.041 6. BD ( 2) C 2 - O 3 /126. BD*( 1) C 1 - H 6 1.74 0.81 0.033 6. BD ( 2) C 2 - O 3 /127. BD*( 1) C 1 - H 7 1.74 0.81 0.033 6. BD ( 2) C 2 - O 3 /130. BD*( 2) C 2 - O 3 1.86 0.38 0.026 7. BD ( 1) C 2 - H 5 / 17. RY*( 1) C 1 1.24 1.49 0.038 7. BD ( 1) C 2 - H 5 / 61. RY*( 1) O 3 1.11 1.41 0.035 7. BD ( 1) C 2 - H 5 /128. BD*( 1) C 1 - H 8 1.69 0.95 0.036 7. BD ( 1) C 2 - H 5 /132. BD*( 1) O 3 - O 4 0.51 0.76 0.018 8. BD ( 1) O 3 - O 4 / 40. RY*( 2) C 2 2.64 2.10 0.067 8. BD ( 1) O 3 - O 4 /125. BD*( 1) C 1 - C 2 2.96 1.22 0.054 8. BD ( 1) O 3 - O 4 /131. BD*( 1) C 2 - H 5 1.17 1.18 0.033 9. CR ( 1) C 1 / 42. RY*( 4) C 2 0.62 11.06 0.074 9. CR ( 1) C 1 / 46. RY*( 8) C 2 0.52 11.07 0.068 9. CR ( 1) C 1 /120. RY*( 1) H 8 0.50 10.87 0.066 10. CR ( 1) C 2 / 20. RY*( 4) C 1 0.58 10.92 0.071 10. CR ( 1) C 2 / 65. RY*( 5) O 3 0.55 11.47 0.071 10. CR ( 1) C 2 /132. BD*( 1) O 3 - O 4 0.78 10.34 0.080 11. CR ( 1) O 3 / 39. RY*( 1) C 2 2.90 19.97 0.215 11. CR ( 1) O 3 / 40. RY*( 2) C 2 0.84 20.34 0.117 11. CR ( 1) O 3 /132. BD*( 1) O 3 - O 4 0.87 19.25 0.116 12. CR ( 1) O 4 /129. BD*( 1) C 2 - O 3 0.94 19.43 0.121 13. LP ( 1) O 3 / 39. RY*( 1) C 2 5.72 1.52 0.084 13. LP ( 1) O 3 / 42. RY*( 4) C 2 0.52 1.61 0.026 13. LP ( 1) O 3 / 83. RY*( 1) O 4 0.88 1.78 0.035 13. LP ( 1) O 3 /125. BD*( 1) C 1 - C 2 1.23 1.01 0.032 13. LP ( 1) O 3 /131. BD*( 1) C 2 - H 5 4.87 0.98 0.062 14. LP ( 1) O 4 / 64. RY*( 4) O 3 0.95 2.04 0.039 14. LP ( 1) O 4 /129. BD*( 1) C 2 - O 3 2.66 1.25 0.052 15. LP ( 2) O 4 / 61. RY*( 1) O 3 1.04 1.12 0.031 15. LP ( 2) O 4 / 63. RY*( 3) O 3 1.06 2.14 0.043 15. LP ( 2) O 4 /125. BD*( 1) C 1 - C 2 0.76 0.68 0.020 15. LP ( 2) O 4 /129. BD*( 1) C 2 - O 3 4.66 0.76 0.053 16. LP ( 3) O 4 / 62. RY*( 2) O 3 1.89 1.71 0.054 16. LP ( 3) O 4 /130. BD*( 2) C 2 - O 3 30.88 0.16 0.064 130. BD*( 2) C 2 - O 3 / 41. RY*( 3) C 2 2.15 0.66 0.087 130. BD*( 2) C 2 - O 3 / 43. RY*( 5) C 2 0.84 2.22 0.100 130. BD*( 2) C 2 - O 3 /126. BD*( 1) C 1 - H 6 1.14 0.43 0.051 130. BD*( 2) C 2 - O 3 /127. BD*( 1) C 1 - H 7 1.14 0.43 0.051 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C2H4O2) 1. BD ( 1) C 1 - C 2 1.98540 -0.71527 132(v),61(v) 2. BD ( 1) C 1 - H 6 1.96685 -0.55123 130(v),129(v) 3. BD ( 1) C 1 - H 7 1.96685 -0.55123 130(v),129(v) 4. BD ( 1) C 1 - H 8 1.98644 -0.55389 131(v),129(v) 5. BD ( 1) C 2 - O 3 1.99717 -1.09351 83(v),85(v) 6. BD ( 2) C 2 - O 3 1.98787 -0.46477 130(g),126(v),127(v),84(v) 7. BD ( 1) C 2 - H 5 1.98859 -0.59472 128(v),17(v),61(v),132(v) 8. BD ( 1) O 3 - O 4 1.98714 -0.84034 125(v),40(v),131(v) 9. CR ( 1) C 1 1.99934 -10.08013 42(v),46(v),120(v) 10. CR ( 1) C 2 1.99942 -10.17480 132(v),20(v),65(v) 11. CR ( 1) O 3 1.99955 -19.08057 39(v),132(g),40(v) 12. CR ( 1) O 4 1.99993 -18.98199 129(v) 13. LP ( 1) O 3 1.97435 -0.63670 39(v),131(v),125(v),83(v) 42(v) 14. LP ( 1) O 4 1.99263 -0.79687 129(v),64(v) 15. LP ( 2) O 4 1.97955 -0.30748 129(v),63(v),61(v),125(r) 16. LP ( 3) O 4 1.74643 -0.24936 130(v),62(v) 17. RY*( 1) C 1 0.00266 0.89038 18. RY*( 2) C 1 0.00079 0.56338 19. RY*( 3) C 1 0.00053 1.24070 20. RY*( 4) C 1 0.00033 0.74617 21. RY*( 5) C 1 0.00028 1.93376 22. RY*( 6) C 1 0.00017 0.83779 23. RY*( 7) C 1 0.00011 1.02110 24. RY*( 8) C 1 0.00000 1.28873 25. RY*( 9) C 1 0.00000 2.92360 26. RY*( 10) C 1 0.00001 0.68646 27. RY*( 11) C 1 0.00000 1.44142 28. RY*( 12) C 1 0.00000 2.95429 29. RY*( 13) C 1 0.00000 1.65960 30. RY*( 14) C 1 0.00000 2.93287 31. RY*( 15) C 1 0.00000 22.94561 32. RY*( 16) C 1 0.00000 2.21050 33. RY*( 17) C 1 0.00000 0.52530 34. RY*( 18) C 1 0.00000 3.05698 35. RY*( 19) C 1 0.00000 1.08215 36. RY*( 20) C 1 0.00000 3.31235 37. RY*( 21) C 1 0.00000 1.14697 38. RY*( 22) C 1 0.00000 3.02972 39. RY*( 1) C 2 0.00962 0.88764 40. RY*( 2) C 2 0.00272 1.25532 41. RY*( 3) C 2 0.00174 0.56931 42. RY*( 4) C 2 0.00116 0.97584 43. RY*( 5) C 2 0.00099 2.13321 44. RY*( 6) C 2 0.00060 1.47211 45. RY*( 7) C 2 0.00041 2.46957 46. RY*( 8) C 2 0.00010 0.99481 47. RY*( 9) C 2 0.00005 1.67277 48. RY*( 10) C 2 0.00000 18.63923 49. RY*( 11) C 2 0.00000 0.29228 50. RY*( 12) C 2 0.00000 2.58074 51. RY*( 13) C 2 0.00000 2.55626 52. RY*( 14) C 2 0.00000 2.73988 53. RY*( 15) C 2 0.00000 2.49535 54. RY*( 16) C 2 0.00000 2.20600 55. RY*( 17) C 2 0.00000 2.10885 56. RY*( 18) C 2 0.00000 2.49552 57. RY*( 19) C 2 0.00000 2.17165 58. RY*( 20) C 2 0.00000 2.79074 59. RY*( 21) C 2 0.00000 2.85965 60. RY*( 22) C 2 0.00000 5.44877 61. RY*( 1) O 3 0.00615 0.81232 62. RY*( 2) O 3 0.00310 1.45842 63. RY*( 3) O 3 0.00237 1.83067 64. RY*( 4) O 3 0.00090 1.24023 65. RY*( 5) O 3 0.00054 1.29728 66. RY*( 6) O 3 0.00021 0.83273 67. RY*( 7) O 3 0.00016 1.71082 68. RY*( 8) O 3 0.00003 2.12392 69. RY*( 9) O 3 0.00000 4.88246 70. RY*( 10) O 3 0.00000 1.98408 71. RY*( 11) O 3 0.00000 0.79476 72. RY*( 12) O 3 0.00000 4.85698 73. RY*( 13) O 3 0.00001 0.90943 74. RY*( 14) O 3 0.00000 6.75792 75. RY*( 15) O 3 0.00000 4.97829 76. RY*( 16) O 3 0.00000 6.62323 77. RY*( 17) O 3 0.00000 1.38496 78. RY*( 18) O 3 0.00000 6.52120 79. RY*( 19) O 3 0.00000 49.03456 80. RY*( 20) O 3 0.00000 6.89618 81. RY*( 21) O 3 0.00001 0.80195 82. RY*( 22) O 3 0.00000 6.72036 83. RY*( 1) O 4 0.00192 1.14039 84. RY*( 2) O 4 0.00138 1.13065 85. RY*( 3) O 4 0.00043 0.93662 86. RY*( 4) O 4 0.00019 1.29532 87. RY*( 5) O 4 0.00003 1.85180 88. RY*( 6) O 4 0.00000 1.06545 89. RY*( 7) O 4 0.00000 49.53717 90. RY*( 8) O 4 0.00000 4.95265 91. RY*( 9) O 4 0.00000 1.69548 92. RY*( 10) O 4 0.00000 0.92529 93. RY*( 11) O 4 0.00000 0.56973 94. RY*( 12) O 4 0.00000 4.83262 95. RY*( 13) O 4 0.00000 1.85881 96. RY*( 14) O 4 0.00000 6.82421 97. RY*( 15) O 4 0.00000 2.14706 98. RY*( 16) O 4 0.00000 6.52582 99. RY*( 17) O 4 0.00000 2.06139 100. RY*( 18) O 4 0.00000 6.29032 101. RY*( 19) O 4 0.00000 4.92669 102. RY*( 20) O 4 0.00000 6.50105 103. RY*( 21) O 4 0.00000 2.41586 104. RY*( 22) O 4 0.00000 6.43681 105. RY*( 1) H 5 0.00266 0.77090 106. RY*( 2) H 5 0.00013 1.68747 107. RY*( 3) H 5 0.00010 2.29486 108. RY*( 4) H 5 0.00007 1.86098 109. RY*( 5) H 5 0.00003 2.56395 110. RY*( 1) H 6 0.00077 0.66535 111. RY*( 2) H 6 0.00011 1.95417 112. RY*( 3) H 6 0.00011 1.87172 113. RY*( 4) H 6 0.00008 2.13501 114. RY*( 5) H 6 0.00003 2.58423 115. RY*( 1) H 7 0.00077 0.66535 116. RY*( 2) H 7 0.00011 1.95417 117. RY*( 3) H 7 0.00011 1.87172 118. RY*( 4) H 7 0.00008 2.13501 119. RY*( 5) H 7 0.00003 2.58423 120. RY*( 1) H 8 0.00145 0.78576 121. RY*( 2) H 8 0.00012 2.02325 122. RY*( 3) H 8 0.00013 1.85298 123. RY*( 4) H 8 0.00009 2.24351 124. RY*( 5) H 8 0.00004 2.39572 125. BD*( 1) C 1 - C 2 0.01187 0.37711 126. BD*( 1) C 1 - H 6 0.01057 0.34285 127. BD*( 1) C 1 - H 7 0.01057 0.34285 128. BD*( 1) C 1 - H 8 0.00533 0.35896 129. BD*( 1) C 2 - O 3 0.02103 0.45243 130. BD*( 2) C 2 - O 3 0.29448 -0.08647 41(g),126(v),127(v),43(g) 131. BD*( 1) C 2 - H 5 0.02633 0.34417 132. BD*( 1) O 3 - O 4 0.01556 0.16986 ------------------------------- Total Lewis 31.55751 ( 98.6172%) Valence non-Lewis 0.39574 ( 1.2367%) Rydberg non-Lewis 0.04675 ( 0.1461%) ------------------------------- 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\08-Jul-20 25\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead)\\C2H4O2\\0, 1\C\C,1,1.478213323\O,2,1.255071998,1,119.2207696\O,3,1.370222471,2,11 8.7063508,1,180.,0\H,2,1.088056935,1,124.083105,3,180.,0\H,1,1.0949992 95,2,110.0813481,3,121.2425901,0\H,1,1.094999295,2,110.0813481,3,-121. 2425901,0\H,1,1.089013073,2,110.8926196,3,0.,0\\Version=ES64L-G16RevC. 01\State=1-A'\HF=-228.9895146\RMSD=5.695e-09\Dipole=-1.0787535,0.,-1.9 142188\Quadrupole=1.0914848,0.9396979,-2.0311827,0.,-1.276252,0.\PG=CS [SG(C2H2O2),X(H2)]\\@ The archive entry for this job was punched. WISDOM IS KNOWING WHAT TO DO, SKILL IS KNOWING HOW TO DO IT, AND VIRTUE IS NOT DOING IT. Job cpu time: 0 days 0 hours 1 minutes 34.0 seconds. Elapsed time: 0 days 0 hours 0 minutes 6.4 seconds. File lengths (MBytes): RWF= 10 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 16 at Tue Jul 8 15:56:40 2025.