Entering Gaussian System, Link 0=/share/apps/gaussian/g16/g16 Initial command: /share/apps/gaussian/g16/l1.exe "/scratch/webmo-1704971/238675/Gau-104932.inp" -scrdir="/scratch/webmo-1704971/238675/" Entering Link 1 = /share/apps/gaussian/g16/l1.exe PID= 104933. 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 4-Apr-2025 ****************************************** ---------------------------------------------------------------------- #N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connectivity ---------------------------------------------------------------------- 1/38=1,57=2,172=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; -------------- C5H5N pyridine -------------- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 C C 1 B1 C 2 B2 1 A1 C 3 B3 2 A2 1 D1 0 C 4 B4 3 A3 2 D2 0 N 1 B5 2 A4 3 D3 0 H 5 B6 4 A5 3 D4 0 H 4 B7 3 A6 2 D5 0 H 3 B8 2 A7 1 D6 0 H 2 B9 1 A8 6 D7 0 H 1 B10 2 A9 3 D8 0 Variables: B1 1.39122 B2 1.3892 B3 1.3892 B4 1.39122 B5 1.33505 B6 1.0859 B7 1.08306 B8 1.08372 B9 1.08306 B10 1.0859 A1 118.50702 A2 118.55388 A3 118.50702 A4 123.54262 A5 120.34543 A6 121.27404 A7 120.72306 A8 120.21893 A9 120.34543 D1 0. D2 0. D3 0. D4 180. D5 180. D6 180. D7 180. D8 180. 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 1.391219 3 6 0 1.220768 0.000000 2.054236 4 6 0 2.386650 0.000000 1.298865 5 6 0 2.279140 0.000000 -0.088195 6 7 0 1.112730 0.000000 -0.737691 7 1 0 3.171068 0.000000 -0.707582 8 1 0 3.361859 0.000000 1.770023 9 1 0 1.262673 0.000000 3.137142 10 1 0 -0.935883 0.000000 1.936330 11 1 0 -0.937125 0.000000 -0.548609 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 5 1 C 0.000000 2 C 1.391219 0.000000 3 C 2.389594 1.389196 0.000000 4 C 2.717195 2.388436 1.389196 0.000000 5 C 2.280846 2.717195 2.389594 1.391219 0.000000 6 N 1.335050 2.402172 2.794017 2.402172 1.335050 7 H 3.249053 3.802715 3.381022 2.154330 1.085898 8 H 3.799352 3.383133 2.159872 1.083062 2.150640 9 H 3.381716 2.154666 1.083716 2.154666 3.381716 10 H 2.150640 1.083062 2.159872 3.383133 3.799352 11 H 1.085898 2.154330 3.381022 3.802715 3.249053 6 7 8 9 10 6 N 0.000000 7 H 2.058558 0.000000 8 H 3.368562 2.484940 0.000000 9 H 3.877733 4.292304 2.505114 0.000000 10 H 3.368562 4.884395 4.300958 2.505114 0.000000 11 H 2.058558 4.111268 4.884395 4.292304 2.484940 11 11 H 0.000000 Stoichiometry C5H5N Framework group C2V[C2(HCN),SGV(C4H4)] Deg. of freedom 10 Full point group C2V NOp 4 Largest Abelian subgroup C2V NOp 4 Largest concise Abelian subgroup C2 NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 6 0 0.000000 -1.140423 0.719879 2 6 0 0.000000 -1.194218 -0.670300 3 6 0 -0.000000 0.000000 -1.380025 4 6 0 0.000000 1.194218 -0.670300 5 6 0 0.000000 1.140423 0.719879 6 7 0 0.000000 -0.000000 1.413992 7 1 0 -0.000000 2.055634 1.304314 8 1 0 -0.000000 2.150479 -1.178815 9 1 0 -0.000000 0.000000 -2.463741 10 1 0 -0.000000 -2.150479 -1.178815 11 1 0 -0.000000 -2.055634 1.304314 --------------------------------------------------------------------- Rotational constants (GHZ): 6.0684175 5.8521376 2.9791577 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 0.4563240000D+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 **** 4 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 **** 5 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 **** 6 0 S 6 1.00 0.000000000000 0.6293480000D+04 0.1969788147D-02 0.9490440000D+03 0.1496128592D-01 0.2187760000D+03 0.7350053084D-01 0.6369160000D+02 0.2489367658D+00 0.1882820000D+02 0.6024594331D+00 0.2720230000D+01 0.2562017589D+00 SP 3 1.00 0.000000000000 0.3063310000D+02 0.1119060795D+00 0.3831191864D-01 0.7026140000D+01 0.9216666549D+00 0.2374031155D+00 0.2112050000D+01 -0.2569191826D-02 0.8175923978D+00 SP 1 1.00 0.000000000000 0.6840090000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.2008780000D+00 0.1000000000D+01 0.1000000000D+01 SP 1 1.00 0.000000000000 0.6390000000D-01 0.1000000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.1826000000D+01 0.1000000000D+01 D 1 1.00 0.000000000000 0.4565000000D+00 0.1000000000D+01 **** 7 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 8 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 9 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** 10 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 **** 11 0 S 3 1.00 0.000000000000 0.3386500000D+02 0.2549381454D-01 0.5094790000D+01 0.1903731086D+00 0.1158790000D+01 0.8521614860D+00 S 1 1.00 0.000000000000 0.3258400000D+00 0.1000000000D+01 S 1 1.00 0.000000000000 0.1027410000D+00 0.1000000000D+01 P 1 1.00 0.000000000000 0.7500000000D+00 0.1000000000D+01 **** There are 86 symmetry adapted cartesian basis functions of A1 symmetry. There are 22 symmetry adapted cartesian basis functions of A2 symmetry. There are 31 symmetry adapted cartesian basis functions of B1 symmetry. There are 65 symmetry adapted cartesian basis functions of B2 symmetry. There are 78 symmetry adapted basis functions of A1 symmetry. There are 22 symmetry adapted basis functions of A2 symmetry. There are 31 symmetry adapted basis functions of B1 symmetry. There are 61 symmetry adapted basis functions of B2 symmetry. 192 basis functions, 292 primitive gaussians, 204 cartesian basis functions 21 alpha electrons 21 beta electrons nuclear repulsion energy 206.5361352869 Hartrees. NAtoms= 11 NActive= 11 NUniq= 7 SFac= 2.47D+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= 192 RedAO= T EigKep= 1.90D-05 NBF= 78 22 31 61 NBsUse= 192 1.00D-06 EigRej= -1.00D+00 NBFU= 78 22 31 61 ExpMin= 4.38D-02 ExpMax= 6.29D+03 ExpMxC= 9.49D+02 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 (A1) (A1) (B2) (A1) (B2) (A1) (A1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B1) (B2) (B1) (A1) (A2) Virtual (B1) (A2) (A1) (B1) (B2) (A1) (B2) (A1) (A1) (B1) (A1) (A2) (B1) (B2) (B2) (A1) (A1) (B2) (A2) (B1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B1) (B2) (B2) (A1) (A1) (B2) (A1) (B1) (A1) (B2) (B2) (A1) (B2) (B1) (A2) (A1) (B1) (A2) (A1) (B2) (B1) (A1) (B2) (A2) (A1) (B2) (A1) (A2) (B2) (A1) (B1) (A1) (B2) (B2) (A1) (B1) (A1) (A2) (B1) (A1) (B2) (A1) (B2) (A1) (A2) (B2) (B1) (B1) (A1) (B2) (A1) (A1) (A2) (B2) (B2) (A1) (B1) (A1) (A1) (B2) (B2) (B2) (A1) (B1) (A2) (A2) (A1) (B1) (B2) (A1) (A2) (B2) (B1) (A1) (B2) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (A1) (B2) (A2) (B1) (A2) (B2) (A1) (B2) (B1) (B2) (A2) (A1) (B1) (B2) (A1) (B2) (B1) (A2) (A1) (B1) (A1) (B2) (A2) (A1) (A1) (A1) (A2) (B2) (B1) (B1) (A2) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B1) (B2) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (B1) (A2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) The electronic state of the initial guess is 1-A1. Requested convergence on RMS density matrix=1.00D-08 within 128 cycles. Requested convergence on MAX density matrix=1.00D-06. Requested convergence on energy=1.00D-06. No special actions if energy rises. SCF Done: E(RB3LYP) = -248.357944240 A.U. after 11 cycles NFock= 11 Conv=0.97D-08 -V/T= 2.0042 ********************************************************************** Population analysis using the SCF Density. ********************************************************************** Orbital symmetries: Occupied (A1) (B2) (A1) (A1) (B2) (A1) (A1) (A1) (B2) (B2) (A1) (A1) (B2) (A1) (B2) (A1) (B1) (B2) (B1) (A2) (A1) Virtual (B1) (A2) (A1) (B2) (A1) (B2) (A1) (B1) (A1) (B1) (A2) (A1) (B2) (B1) (B2) (A2) (A1) (B2) (A1) (B1) (A1) (B2) (A1) (B2) (A1) (B2) (B2) (A1) (B1) (A1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B1) (B2) (A1) (B2) (A1) (B1) (A2) (B2) (B1) (A1) (A2) (A1) (B2) (B1) (A1) (B2) (A2) (A1) (B2) (A1) (A1) (A2) (B2) (B1) (B2) (A1) (B2) (A1) (A1) (B1) (A2) (B1) (B2) (A1) (A1) (B2) (A2) (A1) (B2) (B1) (B1) (A1) (A1) (B2) (A2) (A1) (B2) (A1) (B2) (A1) (B1) (B2) (A1) (B2) (B2) (A1) (B1) (A2) (A2) (A1) (B1) (B2) (A1) (A2) (B2) (B1) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B1) (A1) (B2) (B2) (A1) (A2) (B1) (A2) (B2) (B1) (B2) (A2) (A1) (B1) (B2) (A1) (B2) (B1) (A1) (A2) (B1) (A1) (A2) (B2) (A1) (A1) (A2) (B2) (A1) (B1) (B1) (A2) (B2) (A1) (B2) (A1) (B2) (A1) (A1) (B2) (B1) (B2) (A1) (A1) (B2) (A1) (A1) (B2) (B1) (A2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (B2) (A1) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -14.31488 -10.21168 -10.21168 -10.19835 -10.18840 Alpha occ. eigenvalues -- -10.18837 -0.95127 -0.81451 -0.77090 -0.63914 Alpha occ. eigenvalues -- -0.63741 -0.53857 -0.49161 -0.47844 -0.43845 Alpha occ. eigenvalues -- -0.41381 -0.40778 -0.37413 -0.29861 -0.27377 Alpha occ. eigenvalues -- -0.26562 Alpha virt. eigenvalues -- -0.04076 -0.02745 0.00039 0.01956 0.02719 Alpha virt. eigenvalues -- 0.04649 0.05069 0.05400 0.06188 0.08499 Alpha virt. eigenvalues -- 0.08520 0.09423 0.09720 0.11776 0.13587 Alpha virt. eigenvalues -- 0.13880 0.13891 0.14473 0.14916 0.15692 Alpha virt. eigenvalues -- 0.16582 0.19427 0.19938 0.20165 0.20722 Alpha virt. eigenvalues -- 0.20893 0.22394 0.23180 0.24367 0.24930 Alpha virt. eigenvalues -- 0.27507 0.29644 0.30504 0.31567 0.31639 Alpha virt. eigenvalues -- 0.32604 0.42711 0.45311 0.47532 0.47947 Alpha virt. eigenvalues -- 0.50277 0.50824 0.52204 0.52612 0.54416 Alpha virt. eigenvalues -- 0.55862 0.56503 0.60007 0.60944 0.61224 Alpha virt. eigenvalues -- 0.61887 0.62333 0.63334 0.64986 0.68447 Alpha virt. eigenvalues -- 0.72363 0.73087 0.75781 0.76926 0.78175 Alpha virt. eigenvalues -- 0.78246 0.80173 0.80351 0.80895 0.82271 Alpha virt. eigenvalues -- 0.84614 0.85392 0.87198 0.91450 0.91683 Alpha virt. eigenvalues -- 0.92689 0.99064 1.04610 1.12947 1.13792 Alpha virt. eigenvalues -- 1.15894 1.17552 1.25046 1.27873 1.31597 Alpha virt. eigenvalues -- 1.31621 1.31651 1.34039 1.35876 1.40633 Alpha virt. eigenvalues -- 1.40643 1.46030 1.47109 1.49006 1.49408 Alpha virt. eigenvalues -- 1.52344 1.58720 1.61214 1.64200 1.71516 Alpha virt. eigenvalues -- 1.81178 1.84021 1.87830 1.92069 1.96858 Alpha virt. eigenvalues -- 2.00696 2.14839 2.15371 2.21906 2.36428 Alpha virt. eigenvalues -- 2.38361 2.48232 2.49122 2.64286 2.65573 Alpha virt. eigenvalues -- 2.68821 2.68939 2.73652 2.74309 2.78938 Alpha virt. eigenvalues -- 2.80445 2.81061 2.81299 2.83015 2.99237 Alpha virt. eigenvalues -- 3.00789 3.05730 3.09014 3.09059 3.11092 Alpha virt. eigenvalues -- 3.18472 3.19845 3.25648 3.26082 3.26504 Alpha virt. eigenvalues -- 3.27173 3.33103 3.40100 3.40980 3.41419 Alpha virt. eigenvalues -- 3.51010 3.53936 3.56076 3.56107 3.56335 Alpha virt. eigenvalues -- 3.57735 3.58601 3.66294 3.67478 3.68610 Alpha virt. eigenvalues -- 3.74325 3.78134 3.79049 3.84436 3.88660 Alpha virt. eigenvalues -- 3.95478 3.95547 3.96923 3.99898 4.42396 Alpha virt. eigenvalues -- 4.53320 4.55495 4.83107 4.96778 5.00817 Alpha virt. eigenvalues -- 5.06633 5.14032 5.23438 5.62112 5.64414 Alpha virt. eigenvalues -- 23.73678 23.99958 24.00346 24.03926 24.08734 Alpha virt. eigenvalues -- 35.65883 Molecular Orbital Coefficients: 1 2 3 4 5 (A1)--O (B2)--O (A1)--O (A1)--O (B2)--O Eigenvalues -- -14.31488 -10.21168 -10.21168 -10.19835 -10.18840 1 1 C 1S 0.00002 0.39802 0.39801 -0.00021 -0.00515 2 2S -0.00002 0.32741 0.32745 -0.00012 -0.00428 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00025 -0.00002 0.00007 0.00001 -0.00007 5 2PZ 0.00023 0.00017 0.00016 -0.00023 -0.00046 6 3S 0.00043 0.01636 0.01473 -0.00094 0.00125 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.00013 0.00217 0.00094 -0.00019 0.00054 9 3PZ -0.00040 -0.00028 -0.00021 0.00172 0.00120 10 4S 0.02081 -0.00451 0.01389 0.00568 0.00113 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.01002 -0.00228 0.00367 0.00210 0.00079 13 4PZ -0.00436 0.00502 -0.00428 0.00104 -0.00075 14 5S 0.00406 0.00101 -0.03402 -0.00332 -0.02053 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00229 -0.00557 0.00095 -0.00023 -0.00234 17 5PZ -0.00084 -0.00636 0.00861 0.00139 0.00267 18 6D 0 -0.00000 0.00031 0.00032 -0.00015 -0.00006 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00005 0.00012 0.00010 -0.00007 0.00009 21 6D+2 0.00014 -0.00078 -0.00053 0.00011 -0.00006 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00053 -0.00012 0.00184 -0.00056 -0.00244 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00293 0.00174 0.00098 0.00205 -0.00042 26 7D+2 -0.00077 0.00027 -0.00138 -0.00186 -0.00061 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00510 0.00469 0.01648 0.39797 29 2S -0.00000 0.00417 0.00399 0.01364 0.32744 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00014 -0.00014 0.00008 0.00062 -0.00026 32 2PZ 0.00012 0.00052 0.00056 -0.00045 -0.00006 33 3S 0.00065 0.00151 0.00021 0.00143 0.01637 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.00080 0.00112 -0.00084 -0.00220 0.00218 36 3PZ -0.00076 -0.00191 -0.00221 0.00164 0.00025 37 4S -0.01768 0.00420 -0.01899 -0.00429 -0.00390 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -0.01149 0.00264 -0.00452 -0.00142 -0.00036 40 4PZ -0.00570 0.00050 -0.00549 0.00275 -0.00321 41 5S -0.01442 -0.00465 0.04505 -0.00808 0.01665 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY -0.00477 0.00375 0.00275 -0.00189 0.00319 44 5PZ -0.00033 -0.00448 0.00923 0.00094 0.00579 45 6D 0 -0.00008 -0.00006 -0.00007 0.00011 0.00043 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00006 -0.00010 -0.00006 0.00006 -0.00006 48 6D+2 -0.00001 -0.00005 -0.00004 0.00004 -0.00074 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.00029 -0.00285 -0.00389 0.00059 -0.00141 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.00166 0.00050 0.00131 0.00466 -0.00085 53 7D+2 0.00037 -0.00093 -0.00045 0.00180 -0.00010 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.00001 0.00000 -0.00000 0.56239 0.00000 56 2S 0.00007 0.00000 0.00006 0.46276 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 -0.00016 0.00000 0.00000 -0.00100 59 2PZ -0.00010 0.00000 0.00014 -0.00020 0.00000 60 3S -0.00117 0.00000 -0.00113 0.02227 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00109 0.00000 0.00000 0.00368 63 3PZ 0.00047 0.00000 -0.00120 0.00164 0.00000 64 4S 0.01841 0.00000 0.01506 -0.00022 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00160 0.00000 0.00000 0.00572 67 4PZ 0.00990 0.00000 0.00391 -0.00244 0.00000 68 5S 0.02282 0.00000 -0.02679 0.02182 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00342 0.00000 0.00000 -0.00326 71 5PZ 0.00479 0.00000 -0.00787 0.00546 0.00000 72 6D 0 0.00006 0.00000 0.00003 0.00054 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00006 0.00000 0.00000 0.00019 75 6D+2 0.00002 0.00000 0.00024 -0.00091 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00044 0.00000 -0.00103 -0.00094 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00271 0.00000 0.00000 0.00526 80 7D+2 0.00004 0.00000 -0.00246 -0.00073 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00510 0.00469 0.01648 -0.39797 83 2S -0.00000 -0.00417 0.00399 0.01364 -0.32744 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.00014 -0.00014 -0.00008 -0.00062 -0.00026 86 2PZ 0.00012 -0.00052 0.00056 -0.00045 0.00006 87 3S 0.00065 -0.00151 0.00021 0.00143 -0.01637 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00080 0.00112 0.00084 0.00220 0.00218 90 3PZ -0.00076 0.00191 -0.00221 0.00164 -0.00025 91 4S -0.01768 -0.00420 -0.01899 -0.00429 0.00390 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.01149 0.00264 0.00452 0.00142 -0.00036 94 4PZ -0.00570 -0.00050 -0.00549 0.00275 0.00321 95 5S -0.01442 0.00465 0.04505 -0.00808 -0.01665 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.00477 0.00375 -0.00275 0.00189 0.00319 98 5PZ -0.00033 0.00448 0.00923 0.00094 -0.00579 99 6D 0 -0.00008 0.00006 -0.00007 0.00011 -0.00043 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00006 -0.00010 0.00006 -0.00006 -0.00006 102 6D+2 -0.00001 0.00005 -0.00004 0.00004 0.00074 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00029 0.00285 -0.00389 0.00059 0.00141 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00166 0.00050 -0.00131 -0.00466 -0.00085 107 7D+2 0.00037 0.00093 -0.00045 0.00180 0.00010 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00002 -0.39802 0.39801 -0.00021 0.00515 110 2S -0.00002 -0.32741 0.32745 -0.00012 0.00428 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.00025 -0.00002 -0.00007 -0.00001 -0.00007 113 2PZ 0.00023 -0.00017 0.00016 -0.00023 0.00046 114 3S 0.00043 -0.01636 0.01473 -0.00094 -0.00125 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00013 0.00217 -0.00094 0.00019 0.00054 117 3PZ -0.00040 0.00028 -0.00021 0.00172 -0.00120 118 4S 0.02081 0.00451 0.01389 0.00568 -0.00113 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.01002 -0.00228 -0.00367 -0.00210 0.00079 121 4PZ -0.00436 -0.00502 -0.00428 0.00104 0.00075 122 5S 0.00406 -0.00101 -0.03402 -0.00332 0.02053 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.00229 -0.00557 -0.00095 0.00023 -0.00234 125 5PZ -0.00084 0.00636 0.00861 0.00139 -0.00267 126 6D 0 -0.00000 -0.00031 0.00032 -0.00015 0.00006 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00005 0.00012 -0.00010 0.00007 0.00009 129 6D+2 0.00014 0.00078 -0.00053 0.00011 0.00006 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00053 0.00012 0.00184 -0.00056 0.00244 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00293 0.00174 -0.00098 -0.00205 -0.00042 134 7D+2 -0.00077 -0.00027 -0.00138 -0.00186 0.00061 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.55735 0.00000 -0.00010 0.00000 0.00000 137 2S 0.46570 0.00000 -0.00016 0.00006 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 -0.00078 0.00000 0.00000 -0.00012 140 2PZ -0.00156 0.00000 -0.00036 -0.00011 0.00000 141 3S 0.01808 0.00000 0.00265 -0.00034 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00206 0.00000 0.00000 0.00061 144 3PZ -0.00058 0.00000 0.00083 0.00071 0.00000 145 4S -0.02615 0.00000 -0.01995 -0.01112 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00883 0.00000 0.00000 -0.00080 148 4PZ 0.00947 0.00000 0.00672 0.00323 0.00000 149 5S -0.00727 0.00000 0.00657 -0.00008 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 -0.00699 0.00000 0.00000 -0.00186 152 5PZ 0.00120 0.00000 -0.00425 -0.00077 0.00000 153 6D 0 0.00016 0.00000 -0.00001 0.00002 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00023 0.00000 0.00000 0.00005 156 6D+2 -0.00044 0.00000 -0.00026 -0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00136 0.00000 0.00060 0.00003 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 -0.00362 0.00000 0.00000 -0.00113 161 7D+2 0.00071 0.00000 0.00344 0.00063 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00033 -0.00039 0.00019 -0.00001 0.00018 164 2S -0.00174 0.00118 -0.00294 -0.00088 0.00030 165 3S 0.00372 0.00204 0.00314 0.00024 -0.00051 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00071 -0.00067 0.00134 0.00003 0.00012 168 4PZ -0.00005 -0.00049 0.00066 0.00051 -0.00041 169 8 H 1S 0.00026 0.00019 -0.00021 -0.00027 -0.00028 170 2S -0.00122 0.00071 -0.00151 -0.00138 0.00142 171 3S -0.00368 -0.00146 -0.00091 0.00154 -0.00076 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY -0.00004 0.00002 0.00022 0.00075 -0.00072 174 4PZ -0.00028 0.00043 -0.00055 0.00041 0.00073 175 9 H 1S -0.00008 0.00000 0.00004 0.00042 0.00000 176 2S 0.00071 0.00000 -0.00084 -0.00303 0.00000 177 3S 0.00221 0.00000 0.00041 0.00098 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00062 0.00000 0.00000 0.00093 180 4PZ 0.00001 0.00000 -0.00033 -0.00167 0.00000 181 10 H 1S 0.00026 -0.00019 -0.00021 -0.00027 0.00028 182 2S -0.00122 -0.00071 -0.00151 -0.00138 -0.00142 183 3S -0.00368 0.00146 -0.00091 0.00154 0.00076 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00004 0.00002 -0.00022 -0.00075 -0.00072 186 4PZ -0.00028 -0.00043 -0.00055 0.00041 -0.00073 187 11 H 1S -0.00033 0.00039 0.00019 -0.00001 -0.00018 188 2S -0.00174 -0.00118 -0.00294 -0.00088 -0.00030 189 3S 0.00372 -0.00204 0.00314 0.00024 0.00051 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.00071 -0.00067 -0.00134 -0.00003 0.00012 192 4PZ -0.00005 0.00049 0.00066 0.00051 0.00041 6 7 8 9 10 (A1)--O (A1)--O (A1)--O (B2)--O (B2)--O Eigenvalues -- -10.18837 -0.95127 -0.81451 -0.77090 -0.63914 1 1 C 1S -0.00478 -0.05475 0.00313 -0.06571 0.04488 2 2S -0.00379 -0.08414 0.00492 -0.10209 0.07026 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.00008 0.04824 -0.02585 -0.00151 -0.01814 5 2PZ -0.00059 0.01013 -0.04792 -0.02167 -0.06950 6 3S -0.00057 0.21854 -0.01507 0.27337 -0.19539 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00007 0.06668 -0.03730 0.00212 -0.02604 9 3PZ 0.00236 0.01281 -0.06525 -0.03308 -0.09455 10 4S 0.00273 0.02783 0.02014 0.11945 -0.09526 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00388 -0.01116 -0.00328 -0.01099 0.00746 13 4PZ 0.00050 0.02081 -0.02226 -0.01730 -0.03022 14 5S -0.01881 0.06725 0.07875 0.05497 -0.00363 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00064 0.00292 0.00531 -0.00621 0.00937 17 5PZ 0.00536 -0.01143 -0.02298 -0.00567 -0.00323 18 6D 0 -0.00019 0.00105 0.00445 0.00708 0.00107 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.00004 0.00610 -0.00490 0.00210 -0.00365 21 6D+2 0.00002 -0.00841 0.00388 -0.00358 0.00549 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00277 -0.00597 0.00598 0.00755 -0.00254 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.00069 0.00205 -0.01076 0.00816 -0.01186 26 7D+2 -0.00094 -0.00728 0.00115 0.00322 -0.00397 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.39762 -0.02676 -0.05844 -0.06006 -0.05211 29 2S 0.32725 -0.04112 -0.09056 -0.09338 -0.08178 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00001 0.01476 0.03384 -0.00282 -0.00163 32 2PZ -0.00012 0.01564 -0.01470 0.02870 -0.04127 33 3S 0.01495 0.10485 0.23573 0.24588 0.22344 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.00015 0.02127 0.04895 0.00203 0.00110 36 3PZ 0.00054 0.02350 -0.01947 0.04180 -0.05407 37 4S -0.00746 0.10903 0.10429 0.11160 0.11800 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -0.00627 0.03498 0.00389 -0.00265 -0.01708 40 4PZ -0.00201 0.02251 -0.01492 0.01439 -0.02169 41 5S 0.02499 -0.05473 -0.11470 -0.00309 -0.00774 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00199 -0.00171 -0.01907 0.00196 -0.01774 44 5PZ 0.00505 -0.01329 -0.01885 -0.03510 -0.00605 45 6D 0 0.00029 0.00280 0.00113 0.00665 0.00026 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00004 0.00028 -0.00414 -0.00058 -0.00190 48 6D+2 -0.00059 -0.00219 -0.00640 -0.00314 -0.00495 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00168 0.00539 -0.00059 0.00609 0.00284 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00007 -0.00103 -0.00560 -0.00107 -0.00928 53 7D+2 0.00015 -0.00186 -0.00539 0.00127 0.00426 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.02345 -0.02191 -0.08148 0.00000 0.00000 56 2S -0.01920 -0.03373 -0.12632 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 -0.05045 -0.09048 59 2PZ 0.00047 0.01705 0.02977 0.00000 0.00000 60 3S 0.00021 0.08738 0.33075 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 -0.06965 -0.12501 63 3PZ -0.00145 0.02250 0.04675 0.00000 0.00000 64 4S 0.00571 -0.02175 0.16280 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 -0.03127 -0.05605 67 4PZ 0.00608 -0.02631 0.01309 0.00000 0.00000 68 5S -0.01294 0.00358 0.07666 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 0.03984 0.00833 71 5PZ -0.00245 -0.00097 0.00854 0.00000 0.00000 72 6D 0 -0.00004 0.00099 0.00148 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 -0.00620 -0.00755 75 6D+2 0.00006 -0.00253 -0.00905 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00207 0.00812 -0.00164 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 -0.00677 -0.00452 80 7D+2 0.00301 0.00176 -0.00596 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.39762 -0.02676 -0.05844 0.06006 0.05211 83 2S 0.32725 -0.04112 -0.09056 0.09338 0.08178 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.00001 -0.01476 -0.03384 -0.00282 -0.00163 86 2PZ -0.00012 0.01564 -0.01470 -0.02870 0.04127 87 3S 0.01495 0.10485 0.23573 -0.24588 -0.22344 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00015 -0.02127 -0.04895 0.00203 0.00110 90 3PZ 0.00054 0.02350 -0.01947 -0.04180 0.05407 91 4S -0.00746 0.10903 0.10429 -0.11160 -0.11800 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.00627 -0.03498 -0.00389 -0.00265 -0.01708 94 4PZ -0.00201 0.02251 -0.01492 -0.01439 0.02169 95 5S 0.02499 -0.05473 -0.11470 0.00309 0.00774 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.00199 0.00171 0.01907 0.00196 -0.01774 98 5PZ 0.00505 -0.01329 -0.01885 0.03510 0.00605 99 6D 0 0.00029 0.00280 0.00113 -0.00665 -0.00026 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00004 -0.00028 0.00414 -0.00058 -0.00190 102 6D+2 -0.00059 -0.00219 -0.00640 0.00314 0.00495 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00168 0.00539 -0.00059 -0.00609 -0.00284 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00007 0.00103 0.00560 -0.00107 -0.00928 107 7D+2 0.00015 -0.00186 -0.00539 -0.00127 -0.00426 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00478 -0.05475 0.00313 0.06571 -0.04488 110 2S -0.00379 -0.08414 0.00492 0.10209 -0.07026 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00008 -0.04824 0.02585 -0.00151 -0.01814 113 2PZ -0.00059 0.01013 -0.04792 0.02167 0.06950 114 3S -0.00057 0.21854 -0.01507 -0.27337 0.19539 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.00007 -0.06668 0.03730 0.00212 -0.02604 117 3PZ 0.00236 0.01281 -0.06525 0.03308 0.09455 118 4S 0.00273 0.02783 0.02014 -0.11945 0.09526 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.00388 0.01116 0.00328 -0.01099 0.00746 121 4PZ 0.00050 0.02081 -0.02226 0.01730 0.03022 122 5S -0.01881 0.06725 0.07875 -0.05497 0.00363 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.00064 -0.00292 -0.00531 -0.00621 0.00937 125 5PZ 0.00536 -0.01143 -0.02298 0.00567 0.00323 126 6D 0 -0.00019 0.00105 0.00445 -0.00708 -0.00107 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00004 -0.00610 0.00490 0.00210 -0.00365 129 6D+2 0.00002 -0.00841 0.00388 0.00358 -0.00549 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00277 -0.00597 0.00598 -0.00755 0.00254 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00069 -0.00205 0.01076 0.00816 -0.01186 134 7D+2 -0.00094 -0.00728 0.00115 -0.00322 0.00397 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 -0.08797 0.04984 0.00000 0.00000 137 2S 0.00001 -0.13829 0.07892 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 -0.06784 0.12228 140 2PZ -0.00010 -0.05560 0.01634 0.00000 0.00000 141 3S 0.00021 0.37619 -0.22021 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 -0.09739 0.17669 144 3PZ 0.00062 -0.08485 0.02703 0.00000 0.00000 145 4S -0.00654 0.27273 -0.15151 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 -0.05008 0.08657 148 4PZ 0.00368 -0.04677 0.01132 0.00000 0.00000 149 5S -0.00091 -0.04515 -0.01066 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00383 -0.00866 152 5PZ -0.00207 0.00982 0.00881 0.00000 0.00000 153 6D 0 0.00006 0.00044 0.00139 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00646 -0.00906 156 6D+2 0.00019 -0.00683 0.00386 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00071 0.00261 0.00109 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.01213 -0.01328 161 7D+2 -0.00080 -0.00790 0.00306 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00020 0.01859 -0.00353 -0.04318 0.05187 164 2S -0.00089 0.01612 -0.01106 -0.05980 0.07500 165 3S 0.00203 -0.01113 0.00270 0.00694 -0.00231 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00007 -0.00458 0.00287 0.00833 -0.00979 168 4PZ 0.00053 -0.00119 -0.00074 0.00666 -0.00420 169 8 H 1S 0.00032 0.00817 0.03121 -0.03964 -0.05999 170 2S -0.00361 0.01257 0.03499 -0.05296 -0.08624 171 3S -0.00030 0.00644 -0.00846 0.00369 0.00465 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00144 -0.00180 -0.00690 0.00799 0.01208 174 4PZ -0.00043 0.00132 0.00231 -0.00554 -0.00456 175 9 H 1S -0.00043 0.00663 0.04443 0.00000 0.00000 176 2S -0.00049 -0.00185 0.05618 0.00000 0.00000 177 3S 0.00308 -0.00741 -0.00851 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 -0.00167 -0.00376 180 4PZ -0.00037 0.00065 0.01089 0.00000 0.00000 181 10 H 1S 0.00032 0.00817 0.03121 0.03964 0.05999 182 2S -0.00361 0.01257 0.03499 0.05296 0.08624 183 3S -0.00030 0.00644 -0.00846 -0.00369 -0.00465 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00144 0.00180 0.00690 0.00799 0.01208 186 4PZ -0.00043 0.00132 0.00231 0.00554 0.00456 187 11 H 1S -0.00020 0.01859 -0.00353 0.04318 -0.05187 188 2S -0.00089 0.01612 -0.01106 0.05980 -0.07500 189 3S 0.00203 -0.01113 0.00270 -0.00694 0.00231 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.00007 0.00458 -0.00287 0.00833 -0.00979 192 4PZ 0.00053 -0.00119 -0.00074 -0.00666 0.00420 11 12 13 14 15 (A1)--O (A1)--O (B2)--O (A1)--O (B2)--O Eigenvalues -- -0.63741 -0.53857 -0.49161 -0.47844 -0.43845 1 1 C 1S 0.03918 0.01113 -0.00842 0.02931 -0.01051 2 2S 0.06144 0.01723 -0.01358 0.04627 -0.01718 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.06052 0.07085 -0.08229 0.06758 0.08791 5 2PZ 0.05859 -0.06646 -0.10118 -0.01912 -0.08643 6 3S -0.16707 -0.04393 0.03857 -0.12822 0.05621 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.08117 0.09521 -0.11203 0.09167 0.12135 9 3PZ 0.08338 -0.09058 -0.14422 -0.02407 -0.12317 10 4S -0.11283 -0.05866 0.01978 -0.08546 -0.00268 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.02428 0.03676 -0.04617 0.05430 0.05746 13 4PZ 0.02717 -0.02177 -0.05474 -0.01503 -0.06071 14 5S -0.11581 0.08647 -0.07467 -0.04846 0.03395 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00947 0.00010 -0.03338 0.00463 -0.00146 17 5PZ 0.02971 -0.03013 -0.00400 0.00766 -0.01380 18 6D 0 -0.00701 0.00138 0.00486 -0.00141 0.00682 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00369 -0.00073 -0.00608 0.00915 0.00277 21 6D+2 -0.00134 0.00087 0.00305 0.00026 0.00251 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.00356 -0.00204 -0.00630 0.00093 0.00502 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00058 -0.01266 -0.00431 0.01486 -0.00302 26 7D+2 -0.00200 -0.00464 0.00004 -0.00540 0.00713 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.02628 -0.00235 0.00540 -0.02904 -0.01104 29 2S 0.04122 -0.00414 0.00853 -0.04568 -0.01816 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.05296 0.07744 -0.05048 -0.09046 0.10122 32 2PZ -0.07555 0.04874 0.11539 -0.04492 0.07800 33 3S -0.11198 0.01576 -0.02410 0.12388 0.05714 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.07273 0.10602 -0.07354 -0.12113 0.14089 36 3PZ -0.10482 0.06615 0.16403 -0.05857 0.10944 37 4S -0.04935 0.02922 -0.01151 0.08103 0.01994 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.04310 0.05455 -0.03516 -0.06906 0.07592 40 4PZ -0.03802 0.04061 0.07579 -0.03291 0.06194 41 5S 0.17495 -0.09558 0.05899 0.11107 0.04886 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.01531 0.00243 0.01857 0.00904 0.02620 44 5PZ 0.04329 -0.02549 -0.00662 0.00103 -0.02889 45 6D 0 -0.00650 -0.00020 0.00605 -0.00179 0.00692 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00402 0.00081 0.00362 0.00813 -0.00255 48 6D+2 -0.00128 -0.00114 0.00394 -0.00265 0.00249 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.00323 -0.00519 -0.00128 -0.00332 0.00208 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00184 0.00963 -0.00448 0.00772 0.00661 53 7D+2 -0.00300 -0.00426 -0.00276 0.00464 0.00366 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.06404 0.01290 0.00000 0.03282 0.00000 56 2S -0.10057 0.01981 0.00000 0.05215 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.12732 0.00000 -0.04240 59 2PZ -0.03135 0.11589 0.00000 -0.00110 0.00000 60 3S 0.27635 -0.04790 0.00000 -0.14742 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.18200 0.00000 -0.06158 63 3PZ -0.03737 0.15731 0.00000 -0.00565 0.00000 64 4S 0.12815 -0.06894 0.00000 -0.07247 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.07559 0.00000 -0.03350 67 4PZ -0.03655 0.05675 0.00000 0.00896 0.00000 68 5S -0.11924 0.00497 0.00000 -0.13179 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.02450 0.00000 0.05061 71 5PZ -0.05295 0.01325 0.00000 -0.01744 0.00000 72 6D 0 0.00234 -0.00075 0.00000 -0.00614 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00783 0.00000 -0.00981 75 6D+2 -0.00484 -0.00042 0.00000 -0.00098 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.00949 0.01385 0.00000 -0.00816 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.00597 0.00000 -0.01273 80 7D+2 -0.00192 0.00665 0.00000 -0.01247 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.02628 -0.00235 -0.00540 -0.02904 0.01104 83 2S 0.04122 -0.00414 -0.00853 -0.04568 0.01816 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.05296 -0.07744 -0.05048 0.09046 0.10122 86 2PZ -0.07555 0.04874 -0.11539 -0.04492 -0.07800 87 3S -0.11198 0.01576 0.02410 0.12388 -0.05714 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.07273 -0.10602 -0.07354 0.12113 0.14089 90 3PZ -0.10482 0.06615 -0.16403 -0.05857 -0.10944 91 4S -0.04935 0.02922 0.01151 0.08103 -0.01994 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.04310 -0.05455 -0.03516 0.06906 0.07592 94 4PZ -0.03802 0.04061 -0.07579 -0.03291 -0.06194 95 5S 0.17495 -0.09558 -0.05899 0.11107 -0.04886 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.01531 -0.00243 0.01857 -0.00904 0.02620 98 5PZ 0.04329 -0.02549 0.00662 0.00103 0.02889 99 6D 0 -0.00650 -0.00020 -0.00605 -0.00179 -0.00692 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00402 -0.00081 0.00362 -0.00813 -0.00255 102 6D+2 -0.00128 -0.00114 -0.00394 -0.00265 -0.00249 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00323 -0.00519 0.00128 -0.00332 -0.00208 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.00184 -0.00963 -0.00448 -0.00772 0.00661 107 7D+2 -0.00300 -0.00426 0.00276 0.00464 -0.00366 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.03918 0.01113 0.00842 0.02931 0.01051 110 2S 0.06144 0.01723 0.01358 0.04627 0.01718 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.06052 -0.07085 -0.08229 -0.06758 0.08791 113 2PZ 0.05859 -0.06646 0.10118 -0.01912 0.08643 114 3S -0.16707 -0.04393 -0.03857 -0.12822 -0.05621 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.08117 -0.09521 -0.11203 -0.09167 0.12135 117 3PZ 0.08338 -0.09058 0.14422 -0.02407 0.12317 118 4S -0.11283 -0.05866 -0.01978 -0.08546 0.00268 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.02428 -0.03676 -0.04617 -0.05430 0.05746 121 4PZ 0.02717 -0.02177 0.05474 -0.01503 0.06071 122 5S -0.11581 0.08647 0.07467 -0.04846 -0.03395 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.00947 -0.00010 -0.03338 -0.00463 -0.00146 125 5PZ 0.02971 -0.03013 0.00400 0.00766 0.01380 126 6D 0 -0.00701 0.00138 -0.00486 -0.00141 -0.00682 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00369 0.00073 -0.00608 -0.00915 0.00277 129 6D+2 -0.00134 0.00087 -0.00305 0.00026 -0.00251 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00356 -0.00204 0.00630 0.00093 -0.00502 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.00058 0.01266 -0.00431 -0.01486 -0.00302 134 7D+2 -0.00200 -0.00464 -0.00004 -0.00540 -0.00713 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.03940 0.01160 0.00000 -0.02647 0.00000 137 2S -0.06304 0.01846 0.00000 -0.04270 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.13634 0.00000 -0.02884 140 2PZ -0.00506 -0.05518 0.00000 -0.01946 0.00000 141 3S 0.18263 -0.05239 0.00000 0.12677 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.19826 0.00000 -0.04387 144 3PZ -0.00945 -0.07990 0.00000 -0.03062 0.00000 145 4S 0.14768 -0.04515 0.00000 0.08253 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.10222 0.00000 -0.03632 148 4PZ 0.00055 -0.05911 0.00000 -0.00816 0.00000 149 5S 0.00284 -0.02235 0.00000 0.01526 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 -0.01853 0.00000 -0.01173 152 5PZ -0.01073 0.01671 0.00000 0.00105 0.00000 153 6D 0 -0.00067 0.00507 0.00000 0.00164 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 -0.00939 0.00000 0.00634 156 6D+2 -0.00220 0.00169 0.00000 0.00002 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00228 0.01521 0.00000 0.00624 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 -0.01061 0.00000 0.01386 161 7D+2 0.00019 0.00621 0.00000 0.00705 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.04646 -0.07477 -0.02197 -0.08581 0.08557 164 2S -0.06174 -0.11323 -0.03369 -0.12141 0.12076 165 3S -0.00145 -0.02405 -0.00441 -0.03174 0.04823 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00571 0.01073 0.00121 0.01015 -0.00806 168 4PZ 0.00759 0.00606 0.00629 0.00770 -0.00445 169 8 H 1S -0.03090 -0.06008 0.01368 0.11399 0.09288 170 2S -0.04162 -0.08785 0.02126 0.16921 0.13623 171 3S 0.00207 -0.01532 0.00717 0.04568 0.05038 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00381 0.00793 -0.00439 -0.01510 -0.00949 174 4PZ -0.00588 -0.00385 -0.00342 0.00797 0.00423 175 9 H 1S 0.07735 -0.09409 0.00000 -0.03967 0.00000 176 2S 0.10994 -0.14062 0.00000 -0.06101 0.00000 177 3S -0.00207 -0.03119 0.00000 -0.01213 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00513 0.00000 -0.00110 180 4PZ 0.01607 -0.01467 0.00000 -0.00758 0.00000 181 10 H 1S -0.03090 -0.06008 -0.01368 0.11399 -0.09288 182 2S -0.04162 -0.08785 -0.02126 0.16921 -0.13623 183 3S 0.00207 -0.01532 -0.00717 0.04568 -0.05038 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00381 -0.00793 -0.00439 0.01510 -0.00949 186 4PZ -0.00588 -0.00385 0.00342 0.00797 -0.00423 187 11 H 1S -0.04646 -0.07477 0.02197 -0.08581 -0.08557 188 2S -0.06174 -0.11323 0.03369 -0.12141 -0.12076 189 3S -0.00145 -0.02405 0.00441 -0.03174 -0.04823 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.00571 -0.01073 0.00121 -0.01015 -0.00806 192 4PZ 0.00759 0.00606 -0.00629 0.00770 0.00445 16 17 18 19 20 (A1)--O (B1)--O (B2)--O (B1)--O (A2)--O Eigenvalues -- -0.41381 -0.40778 -0.37413 -0.29861 -0.27377 1 1 C 1S 0.01541 0.00000 0.00141 0.00000 0.00000 2 2S 0.02487 0.00000 0.00217 0.00000 0.00000 3 2PX 0.00000 0.10888 0.00000 -0.05363 0.13559 4 2PY -0.04259 0.00000 0.10379 0.00000 0.00000 5 2PZ 0.07841 0.00000 -0.01617 0.00000 0.00000 6 3S -0.07412 0.00000 -0.00233 0.00000 0.00000 7 3PX 0.00000 0.16674 0.00000 -0.07905 0.20829 8 3PY -0.06200 0.00000 0.13719 0.00000 0.00000 9 3PZ 0.10526 0.00000 -0.02061 0.00000 0.00000 10 4S -0.03604 0.00000 -0.02334 0.00000 0.00000 11 4PX 0.00000 0.10698 0.00000 -0.06495 0.17607 12 4PY -0.03533 0.00000 0.07844 0.00000 0.00000 13 4PZ 0.04503 0.00000 -0.00900 0.00000 0.00000 14 5S -0.09863 0.00000 -0.03754 0.00000 0.00000 15 5PX 0.00000 0.02952 0.00000 -0.02204 0.02349 16 5PY 0.00742 0.00000 0.01276 0.00000 0.00000 17 5PZ 0.03727 0.00000 0.01011 0.00000 0.00000 18 6D 0 -0.00061 0.00000 0.00212 0.00000 0.00000 19 6D+1 0.00000 -0.00076 0.00000 -0.00840 -0.00641 20 6D-1 -0.00288 0.00000 0.01368 0.00000 0.00000 21 6D+2 0.00096 0.00000 0.00051 0.00000 0.00000 22 6D-2 0.00000 0.00744 0.00000 -0.00715 0.00017 23 7D 0 0.00585 0.00000 0.00560 0.00000 0.00000 24 7D+1 0.00000 -0.00313 0.00000 -0.02473 -0.01604 25 7D-1 -0.00097 0.00000 0.02024 0.00000 0.00000 26 7D+2 0.00359 0.00000 -0.00001 0.00000 0.00000 27 7D-2 0.00000 0.01063 0.00000 -0.01580 -0.00583 28 2 C 1S -0.01246 0.00000 -0.00092 0.00000 0.00000 29 2S -0.01993 0.00000 -0.00113 0.00000 0.00000 30 2PX 0.00000 0.08491 0.00000 0.09404 0.13413 31 2PY 0.03971 0.00000 -0.11270 0.00000 0.00000 32 2PZ -0.08033 0.00000 0.02725 0.00000 0.00000 33 3S 0.05685 0.00000 -0.00107 0.00000 0.00000 34 3PX 0.00000 0.13220 0.00000 0.14448 0.20531 35 3PY 0.05936 0.00000 -0.15116 0.00000 0.00000 36 3PZ -0.11113 0.00000 0.04041 0.00000 0.00000 37 4S 0.02709 0.00000 0.02615 0.00000 0.00000 38 4PX 0.00000 0.09111 0.00000 0.11634 0.17529 39 4PY 0.02678 0.00000 -0.08139 0.00000 0.00000 40 4PZ -0.06844 0.00000 0.02372 0.00000 0.00000 41 5S 0.09341 0.00000 0.04565 0.00000 0.00000 42 5PX 0.00000 -0.01833 0.00000 0.02431 0.03721 43 5PY -0.00848 0.00000 -0.00812 0.00000 0.00000 44 5PZ 0.03009 0.00000 0.01042 0.00000 0.00000 45 6D 0 -0.00993 0.00000 -0.00109 0.00000 0.00000 46 6D+1 0.00000 0.00323 0.00000 -0.00529 0.00628 47 6D-1 -0.00371 0.00000 0.01297 0.00000 0.00000 48 6D+2 -0.00653 0.00000 -0.00032 0.00000 0.00000 49 6D-2 0.00000 0.00429 0.00000 0.00670 0.00085 50 7D 0 -0.01575 0.00000 -0.00540 0.00000 0.00000 51 7D+1 0.00000 0.00755 0.00000 -0.02023 0.01544 52 7D-1 -0.00060 0.00000 0.01625 0.00000 0.00000 53 7D+2 -0.00577 0.00000 -0.00137 0.00000 0.00000 54 7D-2 0.00000 0.00898 0.00000 0.01528 -0.00486 55 3 C 1S -0.00488 0.00000 0.00000 0.00000 0.00000 56 2S -0.00850 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.08034 0.00000 0.16037 0.00000 58 2PY 0.00000 0.00000 0.13469 0.00000 0.00000 59 2PZ 0.17175 0.00000 0.00000 0.00000 0.00000 60 3S 0.03205 0.00000 0.00000 0.00000 0.00000 61 3PX 0.00000 0.12561 0.00000 0.24641 0.00000 62 3PY 0.00000 0.00000 0.18815 0.00000 0.00000 63 3PZ 0.23409 0.00000 0.00000 0.00000 0.00000 64 4S -0.00700 0.00000 0.00000 0.00000 0.00000 65 4PX 0.00000 0.08029 0.00000 0.19950 0.00000 66 4PY 0.00000 0.00000 0.10910 0.00000 0.00000 67 4PZ 0.13037 0.00000 0.00000 0.00000 0.00000 68 5S 0.01667 0.00000 0.00000 0.00000 0.00000 69 5PX 0.00000 0.02190 0.00000 0.02282 0.00000 70 5PY 0.00000 0.00000 0.00562 0.00000 0.00000 71 5PZ 0.00354 0.00000 0.00000 0.00000 0.00000 72 6D 0 -0.01239 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00511 0.00000 0.00547 0.00000 74 6D-1 0.00000 0.00000 0.01108 0.00000 0.00000 75 6D+2 -0.00825 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.01045 77 7D 0 -0.01166 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00937 0.00000 0.00600 0.00000 79 7D-1 0.00000 0.00000 0.00879 0.00000 0.00000 80 7D+2 -0.00648 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.03270 82 4 C 1S -0.01246 0.00000 0.00092 0.00000 0.00000 83 2S -0.01993 0.00000 0.00113 0.00000 0.00000 84 2PX 0.00000 0.08491 0.00000 0.09404 -0.13413 85 2PY -0.03971 0.00000 -0.11270 0.00000 0.00000 86 2PZ -0.08033 0.00000 -0.02725 0.00000 0.00000 87 3S 0.05685 0.00000 0.00107 0.00000 0.00000 88 3PX 0.00000 0.13220 0.00000 0.14448 -0.20531 89 3PY -0.05936 0.00000 -0.15116 0.00000 0.00000 90 3PZ -0.11113 0.00000 -0.04041 0.00000 0.00000 91 4S 0.02709 0.00000 -0.02615 0.00000 0.00000 92 4PX 0.00000 0.09111 0.00000 0.11634 -0.17529 93 4PY -0.02678 0.00000 -0.08139 0.00000 0.00000 94 4PZ -0.06844 0.00000 -0.02372 0.00000 0.00000 95 5S 0.09341 0.00000 -0.04565 0.00000 0.00000 96 5PX 0.00000 -0.01833 0.00000 0.02431 -0.03721 97 5PY 0.00848 0.00000 -0.00812 0.00000 0.00000 98 5PZ 0.03009 0.00000 -0.01042 0.00000 0.00000 99 6D 0 -0.00993 0.00000 0.00109 0.00000 0.00000 100 6D+1 0.00000 0.00323 0.00000 -0.00529 -0.00628 101 6D-1 0.00371 0.00000 0.01297 0.00000 0.00000 102 6D+2 -0.00653 0.00000 0.00032 0.00000 0.00000 103 6D-2 0.00000 -0.00429 0.00000 -0.00670 0.00085 104 7D 0 -0.01575 0.00000 0.00540 0.00000 0.00000 105 7D+1 0.00000 0.00755 0.00000 -0.02023 -0.01544 106 7D-1 0.00060 0.00000 0.01625 0.00000 0.00000 107 7D+2 -0.00577 0.00000 0.00137 0.00000 0.00000 108 7D-2 0.00000 -0.00898 0.00000 -0.01528 -0.00486 109 5 C 1S 0.01541 0.00000 -0.00141 0.00000 0.00000 110 2S 0.02487 0.00000 -0.00217 0.00000 0.00000 111 2PX 0.00000 0.10888 0.00000 -0.05363 -0.13559 112 2PY 0.04259 0.00000 0.10379 0.00000 0.00000 113 2PZ 0.07841 0.00000 0.01617 0.00000 0.00000 114 3S -0.07412 0.00000 0.00233 0.00000 0.00000 115 3PX 0.00000 0.16674 0.00000 -0.07905 -0.20829 116 3PY 0.06200 0.00000 0.13719 0.00000 0.00000 117 3PZ 0.10526 0.00000 0.02061 0.00000 0.00000 118 4S -0.03604 0.00000 0.02334 0.00000 0.00000 119 4PX 0.00000 0.10698 0.00000 -0.06495 -0.17607 120 4PY 0.03533 0.00000 0.07844 0.00000 0.00000 121 4PZ 0.04503 0.00000 0.00900 0.00000 0.00000 122 5S -0.09863 0.00000 0.03754 0.00000 0.00000 123 5PX 0.00000 0.02952 0.00000 -0.02204 -0.02349 124 5PY -0.00742 0.00000 0.01276 0.00000 0.00000 125 5PZ 0.03727 0.00000 -0.01011 0.00000 0.00000 126 6D 0 -0.00061 0.00000 -0.00212 0.00000 0.00000 127 6D+1 0.00000 -0.00076 0.00000 -0.00840 0.00641 128 6D-1 0.00288 0.00000 0.01368 0.00000 0.00000 129 6D+2 0.00096 0.00000 -0.00051 0.00000 0.00000 130 6D-2 0.00000 -0.00744 0.00000 0.00715 0.00017 131 7D 0 0.00585 0.00000 -0.00560 0.00000 0.00000 132 7D+1 0.00000 -0.00313 0.00000 -0.02473 0.01604 133 7D-1 0.00097 0.00000 0.02024 0.00000 0.00000 134 7D+2 0.00359 0.00000 0.00001 0.00000 0.00000 135 7D-2 0.00000 -0.01063 0.00000 0.01580 -0.00583 136 6 N 1S -0.01723 0.00000 0.00000 0.00000 0.00000 137 2S -0.02754 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.13828 0.00000 -0.15509 0.00000 139 2PY 0.00000 0.00000 -0.10462 0.00000 0.00000 140 2PZ 0.09032 0.00000 0.00000 0.00000 0.00000 141 3S 0.07780 0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 0.21060 0.00000 -0.23504 0.00000 143 3PY 0.00000 0.00000 -0.15114 0.00000 0.00000 144 3PZ 0.13313 0.00000 0.00000 0.00000 0.00000 145 4S 0.11281 0.00000 0.00000 0.00000 0.00000 146 4PX 0.00000 0.16957 0.00000 -0.19817 0.00000 147 4PY 0.00000 0.00000 -0.09144 0.00000 0.00000 148 4PZ 0.09887 0.00000 0.00000 0.00000 0.00000 149 5S 0.01295 0.00000 0.00000 0.00000 0.00000 150 5PX 0.00000 -0.02143 0.00000 -0.02433 0.00000 151 5PY 0.00000 0.00000 -0.00824 0.00000 0.00000 152 5PZ -0.00845 0.00000 0.00000 0.00000 0.00000 153 6D 0 -0.00517 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00653 0.00000 0.00487 0.00000 155 6D-1 0.00000 0.00000 0.00920 0.00000 0.00000 156 6D+2 -0.00071 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00656 158 7D 0 -0.01959 0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 -0.02502 0.00000 0.01873 0.00000 160 7D-1 0.00000 0.00000 0.01744 0.00000 0.00000 161 7D+2 -0.00842 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 -0.02582 163 7 H 1S 0.04559 0.00000 0.09539 0.00000 0.00000 164 2S 0.06871 0.00000 0.14577 0.00000 0.00000 165 3S 0.02991 0.00000 0.07124 0.00000 0.00000 166 4PX 0.00000 0.00761 0.00000 -0.00402 -0.01144 167 4PY -0.00542 0.00000 -0.00874 0.00000 0.00000 168 4PZ -0.00032 0.00000 -0.00777 0.00000 0.00000 169 8 H 1S 0.01998 0.00000 -0.08733 0.00000 0.00000 170 2S 0.03081 0.00000 -0.13547 0.00000 0.00000 171 3S 0.01001 0.00000 -0.07091 0.00000 0.00000 172 4PX 0.00000 0.00658 0.00000 0.00814 -0.01197 173 4PY -0.00488 0.00000 0.00702 0.00000 0.00000 174 4PZ -0.00183 0.00000 -0.00815 0.00000 0.00000 175 9 H 1S -0.14877 0.00000 0.00000 0.00000 0.00000 176 2S -0.22274 0.00000 0.00000 0.00000 0.00000 177 3S -0.09697 0.00000 0.00000 0.00000 0.00000 178 4PX 0.00000 0.00611 0.00000 0.01378 0.00000 179 4PY 0.00000 0.00000 0.00697 0.00000 0.00000 180 4PZ -0.01717 0.00000 0.00000 0.00000 0.00000 181 10 H 1S 0.01998 0.00000 0.08733 0.00000 0.00000 182 2S 0.03081 0.00000 0.13547 0.00000 0.00000 183 3S 0.01001 0.00000 0.07091 0.00000 0.00000 184 4PX 0.00000 0.00658 0.00000 0.00814 0.01197 185 4PY 0.00488 0.00000 0.00702 0.00000 0.00000 186 4PZ -0.00183 0.00000 0.00815 0.00000 0.00000 187 11 H 1S 0.04559 0.00000 -0.09539 0.00000 0.00000 188 2S 0.06871 0.00000 -0.14577 0.00000 0.00000 189 3S 0.02991 0.00000 -0.07124 0.00000 0.00000 190 4PX 0.00000 0.00761 0.00000 -0.00402 0.01144 191 4PY 0.00542 0.00000 -0.00874 0.00000 0.00000 192 4PZ -0.00032 0.00000 0.00777 0.00000 0.00000 21 22 23 24 25 (A1)--O (B1)--V (A2)--V (A1)--V (B2)--V Eigenvalues -- -0.26562 -0.04076 -0.02745 0.00039 0.01956 1 1 C 1S 0.01360 0.00000 0.00000 0.01127 0.00569 2 2S 0.02193 0.00000 0.00000 0.01883 0.00943 3 2PX 0.00000 -0.08861 -0.14654 0.00000 0.00000 4 2PY -0.03050 0.00000 0.00000 0.01875 0.03554 5 2PZ -0.07846 0.00000 0.00000 -0.01111 -0.02239 6 3S -0.06800 0.00000 0.00000 -0.07025 -0.03632 7 3PX 0.00000 -0.13342 -0.22098 0.00000 0.00000 8 3PY -0.05503 0.00000 0.00000 0.04029 0.07273 9 3PZ -0.11443 0.00000 0.00000 -0.00835 -0.03622 10 4S -0.08231 0.00000 0.00000 0.05817 0.08529 11 4PX 0.00000 -0.19983 -0.33321 0.00000 0.00000 12 4PY -0.02798 0.00000 0.00000 0.22284 0.10604 13 4PZ -0.06481 0.00000 0.00000 0.02289 0.04378 14 5S -0.15348 0.00000 0.00000 1.04680 3.51382 15 5PX 0.00000 -0.09760 -0.40525 0.00000 0.00000 16 5PY 0.01139 0.00000 0.00000 0.42568 -0.57497 17 5PZ 0.03454 0.00000 0.00000 0.23973 -0.44883 18 6D 0 0.01426 0.00000 0.00000 -0.00091 -0.00027 19 6D+1 0.00000 0.01082 -0.00877 0.00000 0.00000 20 6D-1 0.00484 0.00000 0.00000 -0.00453 -0.00197 21 6D+2 0.00953 0.00000 0.00000 0.00204 -0.00017 22 6D-2 0.00000 0.00939 -0.00102 0.00000 0.00000 23 7D 0 0.02521 0.00000 0.00000 -0.01942 -0.01347 24 7D+1 0.00000 0.02699 -0.02498 0.00000 0.00000 25 7D-1 0.01553 0.00000 0.00000 0.00053 -0.00008 26 7D+2 0.01501 0.00000 0.00000 -0.01425 -0.00330 27 7D-2 0.00000 0.02866 0.00660 0.00000 0.00000 28 2 C 1S -0.01243 0.00000 0.00000 0.01484 0.01317 29 2S -0.02021 0.00000 0.00000 0.02454 0.02179 30 2PX 0.00000 -0.07502 0.13786 0.00000 0.00000 31 2PY 0.00165 0.00000 0.00000 0.03325 0.04468 32 2PZ 0.08079 0.00000 0.00000 0.01910 0.02239 33 3S 0.05772 0.00000 0.00000 -0.07670 -0.07119 34 3PX 0.00000 -0.10996 0.20666 0.00000 0.00000 35 3PY 0.00210 0.00000 0.00000 0.05882 0.09121 36 3PZ 0.11145 0.00000 0.00000 0.04200 0.04423 37 4S 0.05336 0.00000 0.00000 -0.20186 -0.02948 38 4PX 0.00000 -0.17243 0.32128 0.00000 0.00000 39 4PY -0.01096 0.00000 0.00000 -0.01777 0.02697 40 4PZ 0.08313 0.00000 0.00000 0.05774 0.04878 41 5S 0.11583 0.00000 0.00000 -1.35324 -1.31463 42 5PX 0.00000 -0.29217 0.42651 0.00000 0.00000 43 5PY -0.00604 0.00000 0.00000 -1.07285 -0.64154 44 5PZ 0.05504 0.00000 0.00000 0.05073 -2.26773 45 6D 0 0.00493 0.00000 0.00000 -0.00383 0.00053 46 6D+1 0.00000 -0.01159 -0.00887 0.00000 0.00000 47 6D-1 -0.00243 0.00000 0.00000 0.00481 0.00183 48 6D+2 0.00262 0.00000 0.00000 -0.00029 -0.00054 49 6D-2 0.00000 0.00829 0.00061 0.00000 0.00000 50 7D 0 -0.00072 0.00000 0.00000 0.00010 -0.00460 51 7D+1 0.00000 -0.02612 -0.02750 0.00000 0.00000 52 7D-1 0.00331 0.00000 0.00000 0.00584 -0.00204 53 7D+2 0.00064 0.00000 0.00000 0.01130 0.00968 54 7D-2 0.00000 0.02656 -0.00858 0.00000 0.00000 55 3 C 1S 0.00146 0.00000 0.00000 0.01734 0.00000 56 2S 0.00241 0.00000 0.00000 0.02881 0.00000 57 2PX 0.00000 0.16751 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 -0.00394 59 2PZ -0.02571 0.00000 0.00000 0.04520 0.00000 60 3S -0.00684 0.00000 0.00000 -0.09662 0.00000 61 3PX 0.00000 0.25140 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 0.00378 63 3PZ -0.03253 0.00000 0.00000 0.08868 0.00000 64 4S 0.02265 0.00000 0.00000 -0.01170 0.00000 65 4PX 0.00000 0.37393 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 0.00000 -0.03427 67 4PZ -0.02392 0.00000 0.00000 0.16479 0.00000 68 5S 0.04228 0.00000 0.00000 3.59550 0.00000 69 5PX 0.00000 0.53568 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 0.00000 1.89275 71 5PZ -0.01815 0.00000 0.00000 -0.15993 0.00000 72 6D 0 0.00544 0.00000 0.00000 0.00455 0.00000 73 6D+1 0.00000 -0.00411 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00150 75 6D+2 0.00334 0.00000 0.00000 0.00468 0.00000 76 6D-2 0.00000 0.00000 -0.01566 0.00000 0.00000 77 7D 0 0.00368 0.00000 0.00000 0.00150 0.00000 78 7D+1 0.00000 -0.02420 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00909 80 7D+2 0.00387 0.00000 0.00000 0.00824 0.00000 81 7D-2 0.00000 0.00000 -0.04273 0.00000 0.00000 82 4 C 1S -0.01243 0.00000 0.00000 0.01484 -0.01317 83 2S -0.02021 0.00000 0.00000 0.02454 -0.02179 84 2PX 0.00000 -0.07502 -0.13786 0.00000 0.00000 85 2PY -0.00165 0.00000 0.00000 -0.03325 0.04468 86 2PZ 0.08079 0.00000 0.00000 0.01910 -0.02239 87 3S 0.05772 0.00000 0.00000 -0.07670 0.07119 88 3PX 0.00000 -0.10996 -0.20666 0.00000 0.00000 89 3PY -0.00210 0.00000 0.00000 -0.05882 0.09121 90 3PZ 0.11145 0.00000 0.00000 0.04200 -0.04423 91 4S 0.05336 0.00000 0.00000 -0.20186 0.02948 92 4PX 0.00000 -0.17243 -0.32128 0.00000 0.00000 93 4PY 0.01096 0.00000 0.00000 0.01777 0.02697 94 4PZ 0.08313 0.00000 0.00000 0.05774 -0.04878 95 5S 0.11583 0.00000 0.00000 -1.35324 1.31463 96 5PX 0.00000 -0.29217 -0.42651 0.00000 0.00000 97 5PY 0.00604 0.00000 0.00000 1.07285 -0.64154 98 5PZ 0.05504 0.00000 0.00000 0.05073 2.26773 99 6D 0 0.00493 0.00000 0.00000 -0.00383 -0.00053 100 6D+1 0.00000 -0.01159 0.00887 0.00000 0.00000 101 6D-1 0.00243 0.00000 0.00000 -0.00481 0.00183 102 6D+2 0.00262 0.00000 0.00000 -0.00029 0.00054 103 6D-2 0.00000 -0.00829 0.00061 0.00000 0.00000 104 7D 0 -0.00072 0.00000 0.00000 0.00010 0.00460 105 7D+1 0.00000 -0.02612 0.02750 0.00000 0.00000 106 7D-1 -0.00331 0.00000 0.00000 -0.00584 -0.00204 107 7D+2 0.00064 0.00000 0.00000 0.01130 -0.00968 108 7D-2 0.00000 -0.02656 -0.00858 0.00000 0.00000 109 5 C 1S 0.01360 0.00000 0.00000 0.01127 -0.00569 110 2S 0.02193 0.00000 0.00000 0.01883 -0.00943 111 2PX 0.00000 -0.08861 0.14654 0.00000 0.00000 112 2PY 0.03050 0.00000 0.00000 -0.01875 0.03554 113 2PZ -0.07846 0.00000 0.00000 -0.01111 0.02239 114 3S -0.06800 0.00000 0.00000 -0.07025 0.03632 115 3PX 0.00000 -0.13342 0.22098 0.00000 0.00000 116 3PY 0.05503 0.00000 0.00000 -0.04029 0.07273 117 3PZ -0.11443 0.00000 0.00000 -0.00835 0.03622 118 4S -0.08231 0.00000 0.00000 0.05817 -0.08529 119 4PX 0.00000 -0.19983 0.33321 0.00000 0.00000 120 4PY 0.02798 0.00000 0.00000 -0.22284 0.10604 121 4PZ -0.06481 0.00000 0.00000 0.02289 -0.04378 122 5S -0.15348 0.00000 0.00000 1.04680 -3.51382 123 5PX 0.00000 -0.09760 0.40525 0.00000 0.00000 124 5PY -0.01139 0.00000 0.00000 -0.42568 -0.57497 125 5PZ 0.03454 0.00000 0.00000 0.23973 0.44883 126 6D 0 0.01426 0.00000 0.00000 -0.00091 0.00027 127 6D+1 0.00000 0.01082 0.00877 0.00000 0.00000 128 6D-1 -0.00484 0.00000 0.00000 0.00453 -0.00197 129 6D+2 0.00953 0.00000 0.00000 0.00204 0.00017 130 6D-2 0.00000 -0.00939 -0.00102 0.00000 0.00000 131 7D 0 0.02521 0.00000 0.00000 -0.01942 0.01347 132 7D+1 0.00000 0.02699 0.02498 0.00000 0.00000 133 7D-1 -0.01553 0.00000 0.00000 -0.00053 -0.00008 134 7D+2 0.01501 0.00000 0.00000 -0.01425 0.00330 135 7D-2 0.00000 -0.02866 0.00660 0.00000 0.00000 136 6 N 1S -0.04055 0.00000 0.00000 0.00588 0.00000 137 2S -0.06507 0.00000 0.00000 0.00967 0.00000 138 2PX 0.00000 0.16559 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00169 140 2PZ 0.23312 0.00000 0.00000 0.00990 0.00000 141 3S 0.18229 0.00000 0.00000 -0.02456 0.00000 142 3PX 0.00000 0.24591 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.00664 144 3PZ 0.33731 0.00000 0.00000 0.01441 0.00000 145 4S 0.32726 0.00000 0.00000 -0.28572 0.00000 146 4PX 0.00000 0.29635 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.00000 0.07907 148 4PZ 0.28726 0.00000 0.00000 0.16730 0.00000 149 5S 0.16090 0.00000 0.00000 -1.22541 0.00000 150 5PX 0.00000 0.25691 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 0.26583 152 5PZ 0.04152 0.00000 0.00000 -0.14675 0.00000 153 6D 0 -0.00425 0.00000 0.00000 0.00220 0.00000 154 6D+1 0.00000 -0.00044 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00257 156 6D+2 0.00559 0.00000 0.00000 0.00202 0.00000 157 6D-2 0.00000 0.00000 0.01045 0.00000 0.00000 158 7D 0 -0.01971 0.00000 0.00000 -0.00468 0.00000 159 7D+1 0.00000 -0.00329 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 -0.01005 161 7D+2 -0.00045 0.00000 0.00000 0.01107 0.00000 162 7D-2 0.00000 0.00000 0.03328 0.00000 0.00000 163 7 H 1S -0.05364 0.00000 0.00000 -0.00182 0.00754 164 2S -0.08482 0.00000 0.00000 0.04524 -0.02974 165 3S -0.06888 0.00000 0.00000 -0.01735 0.16604 166 4PX 0.00000 -0.01106 0.01684 0.00000 0.00000 167 4PY 0.00610 0.00000 0.00000 0.00521 -0.00863 168 4PZ 0.00082 0.00000 0.00000 0.00450 -0.00266 169 8 H 1S -0.03112 0.00000 0.00000 -0.00146 0.01211 170 2S -0.05983 0.00000 0.00000 0.06964 -0.05148 171 3S -0.04270 0.00000 0.00000 -0.19906 0.27328 172 4PX 0.00000 -0.00887 -0.01703 0.00000 0.00000 173 4PY 0.00444 0.00000 0.00000 0.00707 -0.00999 174 4PZ 0.00255 0.00000 0.00000 -0.00400 0.00532 175 9 H 1S 0.03318 0.00000 0.00000 -0.00321 0.00000 176 2S 0.05799 0.00000 0.00000 0.09503 0.00000 177 3S 0.03723 0.00000 0.00000 -0.21275 0.00000 178 4PX 0.00000 0.02016 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 -0.00367 180 4PZ 0.00342 0.00000 0.00000 -0.00979 0.00000 181 10 H 1S -0.03112 0.00000 0.00000 -0.00146 -0.01211 182 2S -0.05983 0.00000 0.00000 0.06964 0.05148 183 3S -0.04270 0.00000 0.00000 -0.19906 -0.27328 184 4PX 0.00000 -0.00887 0.01703 0.00000 0.00000 185 4PY -0.00444 0.00000 0.00000 -0.00707 -0.00999 186 4PZ 0.00255 0.00000 0.00000 -0.00400 -0.00532 187 11 H 1S -0.05364 0.00000 0.00000 -0.00182 -0.00754 188 2S -0.08482 0.00000 0.00000 0.04524 0.02974 189 3S -0.06888 0.00000 0.00000 -0.01735 -0.16604 190 4PX 0.00000 -0.01106 -0.01684 0.00000 0.00000 191 4PY -0.00610 0.00000 0.00000 -0.00521 -0.00863 192 4PZ 0.00082 0.00000 0.00000 0.00450 0.00266 26 27 28 29 30 (A1)--V (B2)--V (A1)--V (B1)--V (A1)--V Eigenvalues -- 0.02719 0.04649 0.05069 0.05400 0.06188 1 1 C 1S 0.01411 0.01712 -0.00038 0.00000 0.00505 2 2S 0.02337 0.02815 -0.00056 0.00000 0.00766 3 2PX 0.00000 0.00000 0.00000 -0.03060 0.00000 4 2PY 0.02720 0.03586 -0.01239 0.00000 0.02089 5 2PZ -0.02513 -0.00653 -0.00742 0.00000 -0.02097 6 3S -0.08044 -0.08448 0.00563 0.00000 0.00632 7 3PX 0.00000 0.00000 0.00000 -0.04030 0.00000 8 3PY 0.05597 0.08007 -0.01982 0.00000 0.02956 9 3PZ -0.05244 -0.01785 -0.00078 0.00000 -0.02776 10 4S 0.02108 -0.24425 -0.10167 0.00000 -0.66236 11 4PX 0.00000 0.00000 0.00000 -0.09739 0.00000 12 4PY 0.06093 -0.00120 -0.06696 0.00000 -0.26690 13 4PZ -0.10973 0.26307 -0.13395 0.00000 -0.14566 14 5S 0.25120 -10.51905 7.92407 0.00000 -11.87995 15 5PX 0.00000 0.00000 0.00000 0.85068 0.00000 16 5PY -0.30424 -2.84895 0.01515 0.00000 -1.15042 17 5PZ 0.81787 2.34264 -2.83704 0.00000 3.42589 18 6D 0 -0.00190 0.00177 -0.00009 0.00000 0.00204 19 6D+1 0.00000 0.00000 0.00000 0.00328 0.00000 20 6D-1 0.00065 0.00022 0.00212 0.00000 -0.00321 21 6D+2 -0.00051 -0.00145 -0.00301 0.00000 -0.00547 22 6D-2 0.00000 0.00000 0.00000 -0.00047 0.00000 23 7D 0 0.00096 -0.00402 0.00526 0.00000 0.03040 24 7D+1 0.00000 0.00000 0.00000 0.00426 0.00000 25 7D-1 -0.00701 0.04153 -0.00721 0.00000 -0.00741 26 7D+2 0.00352 0.00768 -0.00479 0.00000 -0.00044 27 7D-2 0.00000 0.00000 0.00000 -0.02639 0.00000 28 2 C 1S 0.00284 -0.01383 0.01162 0.00000 -0.00835 29 2S 0.00450 -0.02285 0.01931 0.00000 -0.01339 30 2PX 0.00000 0.00000 0.00000 -0.05830 0.00000 31 2PY -0.01016 -0.01333 0.02338 0.00000 0.01779 32 2PZ 0.00508 -0.00603 0.02592 0.00000 0.01387 33 3S -0.00534 0.06545 -0.05840 0.00000 0.02415 34 3PX 0.00000 0.00000 0.00000 -0.07423 0.00000 35 3PY -0.01418 -0.02646 0.04249 0.00000 0.01625 36 3PZ -0.00121 -0.01561 0.03877 0.00000 0.01411 37 4S -0.27463 0.41553 -0.33405 0.00000 0.33991 38 4PX 0.00000 0.00000 0.00000 -0.16811 0.00000 39 4PY -0.16256 0.09653 -0.12290 0.00000 0.36581 40 4PZ -0.06449 0.17159 0.05937 0.00000 0.05385 41 5S -5.75026 12.05928 -18.83462 0.00000 15.16637 42 5PX 0.00000 0.00000 0.00000 -0.34407 0.00000 43 5PY -1.68043 2.66298 -3.69035 0.00000 1.76193 44 5PZ 0.29763 1.70948 -2.24887 0.00000 2.78363 45 6D 0 -0.00000 -0.00332 -0.00123 0.00000 0.00032 46 6D+1 0.00000 0.00000 0.00000 -0.00145 0.00000 47 6D-1 0.00010 0.00032 -0.00219 0.00000 0.00309 48 6D+2 0.00047 0.00023 -0.00482 0.00000 -0.00653 49 6D-2 0.00000 0.00000 0.00000 -0.00231 0.00000 50 7D 0 -0.00586 -0.00808 0.01962 0.00000 0.00379 51 7D+1 0.00000 0.00000 0.00000 -0.01085 0.00000 52 7D-1 -0.01552 0.02884 -0.02620 0.00000 0.01936 53 7D+2 0.00346 -0.01722 0.01257 0.00000 -0.04404 54 7D-2 0.00000 0.00000 0.00000 -0.00170 0.00000 55 3 C 1S -0.01504 0.00000 -0.01873 0.00000 0.00325 56 2S -0.02476 0.00000 -0.03073 0.00000 0.00543 57 2PX 0.00000 0.00000 0.00000 -0.02431 0.00000 58 2PY 0.00000 0.00933 0.00000 0.00000 0.00000 59 2PZ -0.05135 0.00000 -0.00013 0.00000 0.03923 60 3S 0.07340 0.00000 0.08418 0.00000 -0.00802 61 3PX 0.00000 0.00000 0.00000 -0.02138 0.00000 62 3PY 0.00000 0.00559 0.00000 0.00000 0.00000 63 3PZ -0.10065 0.00000 -0.00970 0.00000 0.04622 64 4S 0.30378 0.00000 0.54300 0.00000 -0.54100 65 4PX 0.00000 0.00000 0.00000 -0.10626 0.00000 66 4PY 0.00000 0.09069 0.00000 0.00000 0.00000 67 4PZ 0.10790 0.00000 0.29280 0.00000 -0.12029 68 5S 12.02706 0.00000 20.11872 0.00000 -10.18320 69 5PX 0.00000 0.00000 0.00000 0.89393 0.00000 70 5PY 0.00000 1.84051 0.00000 0.00000 0.00000 71 5PZ 3.46340 0.00000 5.17374 0.00000 -3.20798 72 6D 0 -0.00080 0.00000 0.00241 0.00000 0.00898 73 6D+1 0.00000 0.00000 0.00000 -0.00421 0.00000 74 6D-1 0.00000 -0.00439 0.00000 0.00000 0.00000 75 6D+2 0.00218 0.00000 0.00152 0.00000 -0.00512 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.02490 0.00000 0.04647 0.00000 -0.00075 78 7D+1 0.00000 0.00000 0.00000 -0.02400 0.00000 79 7D-1 0.00000 -0.00122 0.00000 0.00000 0.00000 80 7D+2 -0.00241 0.00000 0.00886 0.00000 -0.00873 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00284 0.01383 0.01162 0.00000 -0.00835 83 2S 0.00450 0.02285 0.01931 0.00000 -0.01339 84 2PX 0.00000 0.00000 0.00000 -0.05830 0.00000 85 2PY 0.01016 -0.01333 -0.02338 0.00000 -0.01779 86 2PZ 0.00508 0.00603 0.02592 0.00000 0.01387 87 3S -0.00534 -0.06545 -0.05840 0.00000 0.02415 88 3PX 0.00000 0.00000 0.00000 -0.07423 0.00000 89 3PY 0.01418 -0.02646 -0.04249 0.00000 -0.01625 90 3PZ -0.00121 0.01561 0.03877 0.00000 0.01411 91 4S -0.27463 -0.41553 -0.33405 0.00000 0.33991 92 4PX 0.00000 0.00000 0.00000 -0.16811 0.00000 93 4PY 0.16256 0.09653 0.12290 0.00000 -0.36581 94 4PZ -0.06449 -0.17159 0.05937 0.00000 0.05385 95 5S -5.75026 -12.05928 -18.83462 0.00000 15.16637 96 5PX 0.00000 0.00000 0.00000 -0.34407 0.00000 97 5PY 1.68043 2.66298 3.69035 0.00000 -1.76193 98 5PZ 0.29763 -1.70948 -2.24887 0.00000 2.78363 99 6D 0 -0.00000 0.00332 -0.00123 0.00000 0.00032 100 6D+1 0.00000 0.00000 0.00000 -0.00145 0.00000 101 6D-1 -0.00010 0.00032 0.00219 0.00000 -0.00309 102 6D+2 0.00047 -0.00023 -0.00482 0.00000 -0.00653 103 6D-2 0.00000 0.00000 0.00000 0.00231 0.00000 104 7D 0 -0.00586 0.00808 0.01962 0.00000 0.00379 105 7D+1 0.00000 0.00000 0.00000 -0.01085 0.00000 106 7D-1 0.01552 0.02884 0.02620 0.00000 -0.01936 107 7D+2 0.00346 0.01722 0.01257 0.00000 -0.04404 108 7D-2 0.00000 0.00000 0.00000 0.00170 0.00000 109 5 C 1S 0.01411 -0.01712 -0.00038 0.00000 0.00505 110 2S 0.02337 -0.02815 -0.00056 0.00000 0.00766 111 2PX 0.00000 0.00000 0.00000 -0.03060 0.00000 112 2PY -0.02720 0.03586 0.01239 0.00000 -0.02089 113 2PZ -0.02513 0.00653 -0.00742 0.00000 -0.02097 114 3S -0.08044 0.08448 0.00563 0.00000 0.00632 115 3PX 0.00000 0.00000 0.00000 -0.04030 0.00000 116 3PY -0.05597 0.08007 0.01982 0.00000 -0.02956 117 3PZ -0.05244 0.01785 -0.00078 0.00000 -0.02776 118 4S 0.02108 0.24425 -0.10167 0.00000 -0.66236 119 4PX 0.00000 0.00000 0.00000 -0.09739 0.00000 120 4PY -0.06093 -0.00120 0.06696 0.00000 0.26690 121 4PZ -0.10973 -0.26307 -0.13395 0.00000 -0.14566 122 5S 0.25120 10.51905 7.92407 0.00000 -11.87995 123 5PX 0.00000 0.00000 0.00000 0.85068 0.00000 124 5PY 0.30424 -2.84895 -0.01515 0.00000 1.15042 125 5PZ 0.81787 -2.34264 -2.83704 0.00000 3.42589 126 6D 0 -0.00190 -0.00177 -0.00009 0.00000 0.00204 127 6D+1 0.00000 0.00000 0.00000 0.00328 0.00000 128 6D-1 -0.00065 0.00022 -0.00212 0.00000 0.00321 129 6D+2 -0.00051 0.00145 -0.00301 0.00000 -0.00547 130 6D-2 0.00000 0.00000 0.00000 0.00047 0.00000 131 7D 0 0.00096 0.00402 0.00526 0.00000 0.03040 132 7D+1 0.00000 0.00000 0.00000 0.00426 0.00000 133 7D-1 0.00701 0.04153 0.00721 0.00000 0.00741 134 7D+2 0.00352 -0.00768 -0.00479 0.00000 -0.00044 135 7D-2 0.00000 0.00000 0.00000 0.02639 0.00000 136 6 N 1S 0.00149 0.00000 -0.01781 0.00000 -0.00663 137 2S 0.00259 0.00000 -0.02961 0.00000 -0.01074 138 2PX 0.00000 0.00000 0.00000 -0.01513 0.00000 139 2PY 0.00000 -0.01868 0.00000 0.00000 0.00000 140 2PZ -0.01894 0.00000 0.02591 0.00000 -0.00265 141 3S -0.01255 0.00000 0.09920 0.00000 0.02312 142 3PX 0.00000 0.00000 0.00000 -0.04009 0.00000 143 3PY 0.00000 -0.02020 0.00000 0.00000 0.00000 144 3PZ -0.03738 0.00000 0.04531 0.00000 -0.01404 145 4S 0.02459 0.00000 0.22196 0.00000 0.40467 146 4PX 0.00000 0.00000 0.00000 0.08414 0.00000 147 4PY 0.00000 0.07757 0.00000 0.00000 0.00000 148 4PZ 0.01750 0.00000 -0.03895 0.00000 -0.16699 149 5S -0.45235 0.00000 1.71514 0.00000 4.07347 150 5PX 0.00000 0.00000 0.00000 -0.63357 0.00000 151 5PY 0.00000 0.01771 0.00000 0.00000 0.00000 152 5PZ -0.34368 0.00000 0.13654 0.00000 -1.40049 153 6D 0 0.00264 0.00000 -0.00079 0.00000 0.00181 154 6D+1 0.00000 0.00000 0.00000 0.00230 0.00000 155 6D-1 0.00000 0.00067 0.00000 0.00000 0.00000 156 6D+2 0.00229 0.00000 0.00060 0.00000 0.00065 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00795 0.00000 -0.00290 0.00000 0.02401 159 7D+1 0.00000 0.00000 0.00000 -0.00008 0.00000 160 7D-1 0.00000 -0.01138 0.00000 0.00000 0.00000 161 7D+2 0.01033 0.00000 -0.01270 0.00000 -0.02002 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.01176 0.00760 0.00238 0.00000 0.02006 164 2S 0.04419 -0.04087 0.00128 0.00000 0.07235 165 3S -0.22213 0.27231 0.08470 0.00000 0.10621 166 4PX 0.00000 0.00000 0.00000 0.00200 0.00000 167 4PY 0.01027 -0.00605 0.00406 0.00000 0.00250 168 4PZ 0.00388 -0.00710 -0.00929 0.00000 0.00390 169 8 H 1S 0.00161 -0.00714 -0.00086 0.00000 0.02213 170 2S -0.01110 0.02338 0.05007 0.00000 0.04783 171 3S -0.04154 -0.15977 -0.04869 0.00000 0.43350 172 4PX 0.00000 0.00000 0.00000 0.00144 0.00000 173 4PY 0.00241 0.00103 0.01067 0.00000 0.00450 174 4PZ 0.00553 -0.00962 0.00378 0.00000 -0.00108 175 9 H 1S 0.01361 0.00000 0.00797 0.00000 0.02928 176 2S -0.03694 0.00000 -0.00613 0.00000 0.07834 177 3S 0.25383 0.00000 0.22895 0.00000 0.29400 178 4PX 0.00000 0.00000 0.00000 0.00650 0.00000 179 4PY 0.00000 0.01281 0.00000 0.00000 0.00000 180 4PZ 0.01169 0.00000 0.00497 0.00000 -0.00755 181 10 H 1S 0.00161 0.00714 -0.00086 0.00000 0.02213 182 2S -0.01110 -0.02338 0.05007 0.00000 0.04783 183 3S -0.04154 0.15977 -0.04869 0.00000 0.43350 184 4PX 0.00000 0.00000 0.00000 0.00144 0.00000 185 4PY -0.00241 0.00103 -0.01067 0.00000 -0.00450 186 4PZ 0.00553 0.00962 0.00378 0.00000 -0.00108 187 11 H 1S -0.01176 -0.00760 0.00238 0.00000 0.02006 188 2S 0.04419 0.04087 0.00128 0.00000 0.07235 189 3S -0.22213 -0.27231 0.08470 0.00000 0.10621 190 4PX 0.00000 0.00000 0.00000 0.00200 0.00000 191 4PY -0.01027 -0.00605 -0.00406 0.00000 -0.00250 192 4PZ 0.00388 0.00710 -0.00929 0.00000 0.00390 31 32 33 34 35 (B1)--V (A2)--V (A1)--V (B2)--V (B1)--V Eigenvalues -- 0.08499 0.08520 0.09423 0.09720 0.11776 1 1 C 1S 0.00000 0.00000 0.01685 0.00026 0.00000 2 2S 0.00000 0.00000 0.02782 0.00098 0.00000 3 2PX -0.00189 -0.03868 0.00000 0.00000 0.12515 4 2PY 0.00000 0.00000 0.00805 0.00617 0.00000 5 2PZ 0.00000 0.00000 -0.00492 -0.02185 0.00000 6 3S 0.00000 0.00000 -0.06416 -0.01537 0.00000 7 3PX -0.00442 -0.04209 0.00000 0.00000 0.17668 8 3PY 0.00000 0.00000 -0.00035 0.00419 0.00000 9 3PZ 0.00000 0.00000 -0.02077 -0.02822 0.00000 10 4S 0.00000 0.00000 -0.81716 -0.08744 0.00000 11 4PX -0.01901 -0.14424 0.00000 0.00000 0.46014 12 4PY 0.00000 0.00000 -0.18237 0.00039 0.00000 13 4PZ 0.00000 0.00000 0.12503 0.35917 0.00000 14 5S 0.00000 0.00000 4.08402 6.30704 0.00000 15 5PX 1.68925 0.55330 0.00000 0.00000 0.75224 16 5PY 0.00000 0.00000 -2.38673 2.16012 0.00000 17 5PZ 0.00000 0.00000 -2.44127 1.83126 0.00000 18 6D 0 0.00000 0.00000 -0.00150 0.00338 0.00000 19 6D+1 0.00031 0.00402 0.00000 0.00000 -0.00007 20 6D-1 0.00000 0.00000 0.00359 -0.00242 0.00000 21 6D+2 0.00000 0.00000 -0.00182 0.00098 0.00000 22 6D-2 -0.00291 -0.00169 0.00000 0.00000 -0.00570 23 7D 0 0.00000 0.00000 -0.00208 -0.02286 0.00000 24 7D+1 0.01552 0.00643 0.00000 0.00000 0.00210 25 7D-1 0.00000 0.00000 0.06179 -0.00829 0.00000 26 7D+2 0.00000 0.00000 0.02579 0.00685 0.00000 27 7D-2 -0.01680 -0.01342 0.00000 0.00000 -0.01541 28 2 C 1S 0.00000 0.00000 -0.00776 -0.00001 0.00000 29 2S 0.00000 0.00000 -0.01251 -0.00012 0.00000 30 2PX -0.01433 -0.05771 0.00000 0.00000 -0.06985 31 2PY 0.00000 0.00000 -0.02294 -0.02023 0.00000 32 2PZ 0.00000 0.00000 -0.01041 0.01536 0.00000 33 3S 0.00000 0.00000 0.00928 -0.00454 0.00000 34 3PX -0.03436 -0.06958 0.00000 0.00000 -0.11143 35 3PY 0.00000 0.00000 -0.03417 -0.02921 0.00000 36 3PZ 0.00000 0.00000 -0.02004 0.02996 0.00000 37 4S 0.00000 0.00000 0.70513 0.42924 0.00000 38 4PX -0.00356 -0.23153 0.00000 0.00000 -0.19933 39 4PY 0.00000 0.00000 0.29063 0.02319 0.00000 40 4PZ 0.00000 0.00000 0.15331 0.30050 0.00000 41 5S 0.00000 0.00000 -3.37708 -3.24993 0.00000 42 5PX -1.51660 0.90424 0.00000 0.00000 -2.44499 43 5PY 0.00000 0.00000 2.20238 0.13120 0.00000 44 5PZ 0.00000 0.00000 -0.23874 -0.16216 0.00000 45 6D 0 0.00000 0.00000 -0.00342 0.00238 0.00000 46 6D+1 -0.00240 -0.00296 0.00000 0.00000 0.00654 47 6D-1 0.00000 0.00000 -0.00371 0.00305 0.00000 48 6D+2 0.00000 0.00000 0.00432 0.00209 0.00000 49 6D-2 0.00519 -0.00179 0.00000 0.00000 0.00208 50 7D 0 0.00000 0.00000 -0.02911 0.03407 0.00000 51 7D+1 0.01418 -0.00020 0.00000 0.00000 0.01189 52 7D-1 0.00000 0.00000 0.03983 0.02336 0.00000 53 7D+2 0.00000 0.00000 -0.05238 0.00733 0.00000 54 7D-2 0.01937 -0.02067 0.00000 0.00000 0.03180 55 3 C 1S 0.00000 0.00000 0.00625 0.00000 0.00000 56 2S 0.00000 0.00000 0.01024 0.00000 0.00000 57 2PX 0.09762 0.00000 0.00000 0.00000 0.03465 58 2PY 0.00000 0.00000 0.00000 0.03393 0.00000 59 2PZ 0.00000 0.00000 0.01690 0.00000 0.00000 60 3S 0.00000 0.00000 -0.00611 0.00000 0.00000 61 3PX 0.12613 0.00000 0.00000 0.00000 0.06298 62 3PY 0.00000 0.00000 0.00000 0.04482 0.00000 63 3PZ 0.00000 0.00000 0.02534 0.00000 0.00000 64 4S 0.00000 0.00000 -0.81701 0.00000 0.00000 65 4PX 0.33899 0.00000 0.00000 0.00000 0.03688 66 4PY 0.00000 0.00000 0.00000 0.06593 0.00000 67 4PZ 0.00000 0.00000 -0.43484 0.00000 0.00000 68 5S 0.00000 0.00000 -2.42655 0.00000 0.00000 69 5PX 0.23215 0.00000 0.00000 0.00000 3.45994 70 5PY 0.00000 0.00000 0.00000 -3.08770 0.00000 71 5PZ 0.00000 0.00000 -1.79867 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.00173 0.00000 0.00000 73 6D+1 0.00104 0.00000 0.00000 0.00000 -0.00484 74 6D-1 0.00000 0.00000 0.00000 0.00400 0.00000 75 6D+2 0.00000 0.00000 0.00118 0.00000 0.00000 76 6D-2 0.00000 0.00573 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.09008 0.00000 0.00000 78 7D+1 0.00652 0.00000 0.00000 0.00000 -0.04103 79 7D-1 0.00000 0.00000 0.00000 0.03269 0.00000 80 7D+2 0.00000 0.00000 0.00302 0.00000 0.00000 81 7D-2 0.00000 -0.01408 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.00000 -0.00776 0.00001 0.00000 83 2S 0.00000 0.00000 -0.01251 0.00012 0.00000 84 2PX -0.01433 0.05771 0.00000 0.00000 -0.06985 85 2PY 0.00000 0.00000 0.02294 -0.02023 0.00000 86 2PZ 0.00000 0.00000 -0.01041 -0.01536 0.00000 87 3S 0.00000 0.00000 0.00928 0.00454 0.00000 88 3PX -0.03436 0.06958 0.00000 0.00000 -0.11143 89 3PY 0.00000 0.00000 0.03417 -0.02921 0.00000 90 3PZ 0.00000 0.00000 -0.02004 -0.02996 0.00000 91 4S 0.00000 0.00000 0.70513 -0.42924 0.00000 92 4PX -0.00356 0.23153 0.00000 0.00000 -0.19933 93 4PY 0.00000 0.00000 -0.29063 0.02319 0.00000 94 4PZ 0.00000 0.00000 0.15331 -0.30050 0.00000 95 5S 0.00000 0.00000 -3.37708 3.24993 0.00000 96 5PX -1.51660 -0.90424 0.00000 0.00000 -2.44499 97 5PY 0.00000 0.00000 -2.20238 0.13120 0.00000 98 5PZ 0.00000 0.00000 -0.23874 0.16216 0.00000 99 6D 0 0.00000 0.00000 -0.00342 -0.00238 0.00000 100 6D+1 -0.00240 0.00296 0.00000 0.00000 0.00654 101 6D-1 0.00000 0.00000 0.00371 0.00305 0.00000 102 6D+2 0.00000 0.00000 0.00432 -0.00209 0.00000 103 6D-2 -0.00519 -0.00179 0.00000 0.00000 -0.00208 104 7D 0 0.00000 0.00000 -0.02911 -0.03407 0.00000 105 7D+1 0.01418 0.00020 0.00000 0.00000 0.01189 106 7D-1 0.00000 0.00000 -0.03983 0.02336 0.00000 107 7D+2 0.00000 0.00000 -0.05238 -0.00733 0.00000 108 7D-2 -0.01937 -0.02067 0.00000 0.00000 -0.03180 109 5 C 1S 0.00000 0.00000 0.01685 -0.00026 0.00000 110 2S 0.00000 0.00000 0.02782 -0.00098 0.00000 111 2PX -0.00189 0.03868 0.00000 0.00000 0.12515 112 2PY 0.00000 0.00000 -0.00805 0.00617 0.00000 113 2PZ 0.00000 0.00000 -0.00492 0.02185 0.00000 114 3S 0.00000 0.00000 -0.06416 0.01537 0.00000 115 3PX -0.00442 0.04209 0.00000 0.00000 0.17668 116 3PY 0.00000 0.00000 0.00035 0.00419 0.00000 117 3PZ 0.00000 0.00000 -0.02077 0.02822 0.00000 118 4S 0.00000 0.00000 -0.81716 0.08744 0.00000 119 4PX -0.01901 0.14424 0.00000 0.00000 0.46014 120 4PY 0.00000 0.00000 0.18237 0.00039 0.00000 121 4PZ 0.00000 0.00000 0.12503 -0.35917 0.00000 122 5S 0.00000 0.00000 4.08402 -6.30704 0.00000 123 5PX 1.68925 -0.55330 0.00000 0.00000 0.75224 124 5PY 0.00000 0.00000 2.38673 2.16012 0.00000 125 5PZ 0.00000 0.00000 -2.44127 -1.83126 0.00000 126 6D 0 0.00000 0.00000 -0.00150 -0.00338 0.00000 127 6D+1 0.00031 -0.00402 0.00000 0.00000 -0.00007 128 6D-1 0.00000 0.00000 -0.00359 -0.00242 0.00000 129 6D+2 0.00000 0.00000 -0.00182 -0.00098 0.00000 130 6D-2 0.00291 -0.00169 0.00000 0.00000 0.00570 131 7D 0 0.00000 0.00000 -0.00208 0.02286 0.00000 132 7D+1 0.01552 -0.00643 0.00000 0.00000 0.00210 133 7D-1 0.00000 0.00000 -0.06179 -0.00829 0.00000 134 7D+2 0.00000 0.00000 0.02579 -0.00685 0.00000 135 7D-2 0.01680 -0.01342 0.00000 0.00000 0.01541 136 6 N 1S 0.00000 0.00000 -0.02056 0.00000 0.00000 137 2S 0.00000 0.00000 -0.03323 0.00000 0.00000 138 2PX -0.04738 0.00000 0.00000 0.00000 -0.12276 139 2PY 0.00000 0.00000 0.00000 0.01967 0.00000 140 2PZ 0.00000 0.00000 0.00551 0.00000 0.00000 141 3S 0.00000 0.00000 0.08409 0.00000 0.00000 142 3PX -0.08667 0.00000 0.00000 0.00000 -0.17551 143 3PY 0.00000 0.00000 0.00000 0.03383 0.00000 144 3PZ 0.00000 0.00000 0.01588 0.00000 0.00000 145 4S 0.00000 0.00000 0.43494 0.00000 0.00000 146 4PX -0.01601 0.00000 0.00000 0.00000 -0.33015 147 4PY 0.00000 0.00000 0.00000 0.03684 0.00000 148 4PZ 0.00000 0.00000 -0.22687 0.00000 0.00000 149 5S 0.00000 0.00000 2.47928 0.00000 0.00000 150 5PX -0.79696 0.00000 0.00000 0.00000 -0.38086 151 5PY 0.00000 0.00000 0.00000 2.15120 0.00000 152 5PZ 0.00000 0.00000 0.65155 0.00000 0.00000 153 6D 0 0.00000 0.00000 -0.00167 0.00000 0.00000 154 6D+1 0.00243 0.00000 0.00000 0.00000 -0.00253 155 6D-1 0.00000 0.00000 0.00000 -0.00151 0.00000 156 6D+2 0.00000 0.00000 0.00209 0.00000 0.00000 157 6D-2 0.00000 0.00205 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.01858 0.00000 0.00000 159 7D+1 0.00545 0.00000 0.00000 0.00000 -0.00240 160 7D-1 0.00000 0.00000 0.00000 -0.00562 0.00000 161 7D+2 0.00000 0.00000 -0.00327 0.00000 0.00000 162 7D-2 0.00000 -0.00235 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 -0.00465 -0.00233 0.00000 164 2S 0.00000 0.00000 0.12437 0.03718 0.00000 165 3S 0.00000 0.00000 -0.50372 -0.04934 0.00000 166 4PX 0.00685 -0.00708 0.00000 0.00000 0.01282 167 4PY 0.00000 0.00000 0.00313 -0.00127 0.00000 168 4PZ 0.00000 0.00000 -0.00760 -0.01278 0.00000 169 8 H 1S 0.00000 0.00000 -0.01716 -0.00280 0.00000 170 2S 0.00000 0.00000 -0.12407 0.01408 0.00000 171 3S 0.00000 0.00000 0.23394 -0.16491 0.00000 172 4PX -0.00900 -0.00593 0.00000 0.00000 -0.01495 173 4PY 0.00000 0.00000 0.00268 0.00731 0.00000 174 4PZ 0.00000 0.00000 0.00351 0.00901 0.00000 175 9 H 1S 0.00000 0.00000 -0.01116 0.00000 0.00000 176 2S 0.00000 0.00000 0.09103 0.00000 0.00000 177 3S 0.00000 0.00000 -0.71822 0.00000 0.00000 178 4PX -0.00026 0.00000 0.00000 0.00000 0.01659 179 4PY 0.00000 0.00000 0.00000 -0.01011 0.00000 180 4PZ 0.00000 0.00000 0.00407 0.00000 0.00000 181 10 H 1S 0.00000 0.00000 -0.01716 0.00280 0.00000 182 2S 0.00000 0.00000 -0.12407 -0.01408 0.00000 183 3S 0.00000 0.00000 0.23394 0.16491 0.00000 184 4PX -0.00900 0.00593 0.00000 0.00000 -0.01495 185 4PY 0.00000 0.00000 -0.00268 0.00731 0.00000 186 4PZ 0.00000 0.00000 0.00351 -0.00901 0.00000 187 11 H 1S 0.00000 0.00000 -0.00465 0.00233 0.00000 188 2S 0.00000 0.00000 0.12437 -0.03718 0.00000 189 3S 0.00000 0.00000 -0.50372 0.04934 0.00000 190 4PX 0.00685 0.00708 0.00000 0.00000 0.01282 191 4PY 0.00000 0.00000 -0.00313 -0.00127 0.00000 192 4PZ 0.00000 0.00000 -0.00760 0.01278 0.00000 36 37 38 39 40 (B2)--V (A2)--V (A1)--V (B2)--V (A1)--V Eigenvalues -- 0.13587 0.13880 0.13891 0.14473 0.14916 1 1 C 1S 0.00537 0.00000 -0.00655 0.00447 0.00437 2 2S 0.00920 0.00000 -0.01123 0.00787 0.00772 3 2PX 0.00000 -0.07073 0.00000 0.00000 0.00000 4 2PY -0.01750 0.00000 -0.00061 -0.00120 0.02337 5 2PZ 0.02650 0.00000 -0.00949 -0.00001 -0.02404 6 3S -0.03754 0.00000 0.04565 -0.05076 -0.02533 7 3PX 0.00000 -0.08712 0.00000 0.00000 0.00000 8 3PY -0.03937 0.00000 -0.00328 -0.02472 0.03163 9 3PZ 0.02587 0.00000 -0.01404 0.00342 -0.03493 10 4S -0.08480 0.00000 -0.15165 0.29404 -0.37214 11 4PX 0.00000 -0.35345 0.00000 0.00000 0.00000 12 4PY 0.03867 0.00000 -0.17809 0.22077 0.04405 13 4PZ 0.48872 0.00000 -0.07458 -0.01619 0.04347 14 5S 7.54386 0.00000 -11.15032 -0.43660 31.83374 15 5PX 0.00000 2.58103 0.00000 0.00000 0.00000 16 5PY 5.82365 0.00000 -2.22739 5.80094 -2.89734 17 5PZ 1.95795 0.00000 3.41621 4.79322 -8.37139 18 6D 0 -0.00316 0.00000 0.00146 0.00504 0.00257 19 6D+1 0.00000 -0.00390 0.00000 0.00000 0.00000 20 6D-1 0.00284 0.00000 0.00339 -0.00441 -0.00876 21 6D+2 0.00687 0.00000 -0.00192 -0.00005 0.00269 22 6D-2 0.00000 -0.00095 0.00000 0.00000 0.00000 23 7D 0 -0.04370 0.00000 0.02548 0.01688 0.00561 24 7D+1 0.00000 0.01587 0.00000 0.00000 0.00000 25 7D-1 -0.02095 0.00000 -0.02414 -0.05063 0.00518 26 7D+2 -0.00359 0.00000 -0.00443 -0.02588 0.04331 27 7D-2 0.00000 -0.01261 0.00000 0.00000 0.00000 28 2 C 1S 0.00262 0.00000 -0.00334 -0.00931 -0.00051 29 2S 0.00412 0.00000 -0.00557 -0.01522 -0.00073 30 2PX 0.00000 0.06089 0.00000 0.00000 0.00000 31 2PY -0.01080 0.00000 -0.01942 0.03673 0.02261 32 2PZ -0.02245 0.00000 0.00834 0.01177 0.00634 33 3S -0.00470 0.00000 0.02592 0.04971 -0.00928 34 3PX 0.00000 0.07658 0.00000 0.00000 0.00000 35 3PY -0.00364 0.00000 -0.01491 0.05255 0.02430 36 3PZ 0.00992 0.00000 0.00909 0.02092 0.00846 37 4S 0.21454 0.00000 -0.16283 -0.02159 0.05615 38 4PX 0.00000 0.32883 0.00000 0.00000 0.00000 39 4PY -0.14813 0.00000 -0.26221 -0.08296 0.13023 40 4PZ 0.07242 0.00000 0.02625 0.01901 0.16265 41 5S 5.28283 0.00000 15.65920 13.12653 -19.00471 42 5PX 0.00000 -2.38128 0.00000 0.00000 0.00000 43 5PY -1.47149 0.00000 2.69605 -3.02244 5.22672 44 5PZ 2.30172 0.00000 -0.23598 0.63082 -14.22308 45 6D 0 -0.00617 0.00000 0.00389 -0.00107 0.00132 46 6D+1 0.00000 -0.00418 0.00000 0.00000 0.00000 47 6D-1 -0.00281 0.00000 -0.00273 0.00345 0.00857 48 6D+2 0.00557 0.00000 0.00839 -0.00558 -0.00005 49 6D-2 0.00000 0.00025 0.00000 0.00000 0.00000 50 7D 0 0.01518 0.00000 0.02029 -0.01540 0.03902 51 7D+1 0.00000 0.01264 0.00000 0.00000 0.00000 52 7D-1 -0.03695 0.00000 -0.00416 -0.01787 0.03527 53 7D+2 0.03970 0.00000 0.03671 0.01869 0.01087 54 7D-2 0.00000 0.01197 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00365 0.00000 0.01909 56 2S 0.00000 0.00000 0.00559 0.00000 0.03122 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00584 0.00000 0.00000 -0.00268 0.00000 59 2PZ 0.00000 0.00000 -0.04950 0.00000 -0.00224 60 3S 0.00000 0.00000 -0.01113 0.00000 -0.08901 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00500 0.00000 0.00000 0.00059 0.00000 63 3PZ 0.00000 0.00000 -0.04527 0.00000 -0.03258 64 4S 0.00000 0.00000 0.19930 0.00000 -0.40599 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.01570 0.00000 0.00000 -0.18208 0.00000 67 4PZ 0.00000 0.00000 -0.12266 0.00000 0.25721 68 5S 0.00000 0.00000 -10.72615 0.00000 -26.63400 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.28135 0.00000 0.00000 6.17308 0.00000 71 5PZ 0.00000 0.00000 0.35587 0.00000 2.46247 72 6D 0 0.00000 0.00000 -0.01184 0.00000 0.00430 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00041 0.00000 0.00000 -0.00947 0.00000 75 6D+2 0.00000 0.00000 0.00557 0.00000 -0.00149 76 6D-2 0.00000 -0.00674 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.01664 0.00000 0.02922 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.02649 0.00000 0.00000 -0.05863 0.00000 80 7D+2 0.00000 0.00000 -0.00225 0.00000 -0.01968 81 7D-2 0.00000 0.00195 0.00000 0.00000 0.00000 82 4 C 1S -0.00262 0.00000 -0.00334 0.00931 -0.00051 83 2S -0.00412 0.00000 -0.00557 0.01522 -0.00073 84 2PX 0.00000 -0.06089 0.00000 0.00000 0.00000 85 2PY -0.01080 0.00000 0.01942 0.03673 -0.02261 86 2PZ 0.02245 0.00000 0.00834 -0.01177 0.00634 87 3S 0.00470 0.00000 0.02592 -0.04971 -0.00928 88 3PX 0.00000 -0.07658 0.00000 0.00000 0.00000 89 3PY -0.00364 0.00000 0.01491 0.05255 -0.02430 90 3PZ -0.00992 0.00000 0.00909 -0.02092 0.00846 91 4S -0.21454 0.00000 -0.16283 0.02159 0.05615 92 4PX 0.00000 -0.32883 0.00000 0.00000 0.00000 93 4PY -0.14813 0.00000 0.26221 -0.08296 -0.13023 94 4PZ -0.07242 0.00000 0.02625 -0.01901 0.16265 95 5S -5.28283 0.00000 15.65920 -13.12653 -19.00471 96 5PX 0.00000 2.38128 0.00000 0.00000 0.00000 97 5PY -1.47149 0.00000 -2.69605 -3.02244 -5.22672 98 5PZ -2.30172 0.00000 -0.23598 -0.63082 -14.22308 99 6D 0 0.00617 0.00000 0.00389 0.00107 0.00132 100 6D+1 0.00000 0.00418 0.00000 0.00000 0.00000 101 6D-1 -0.00281 0.00000 0.00273 0.00345 -0.00857 102 6D+2 -0.00557 0.00000 0.00839 0.00558 -0.00005 103 6D-2 0.00000 0.00025 0.00000 0.00000 0.00000 104 7D 0 -0.01518 0.00000 0.02029 0.01540 0.03902 105 7D+1 0.00000 -0.01264 0.00000 0.00000 0.00000 106 7D-1 -0.03695 0.00000 0.00416 -0.01787 -0.03527 107 7D+2 -0.03970 0.00000 0.03671 -0.01869 0.01087 108 7D-2 0.00000 0.01197 0.00000 0.00000 0.00000 109 5 C 1S -0.00537 0.00000 -0.00655 -0.00447 0.00437 110 2S -0.00920 0.00000 -0.01123 -0.00787 0.00772 111 2PX 0.00000 0.07073 0.00000 0.00000 0.00000 112 2PY -0.01750 0.00000 0.00061 -0.00120 -0.02337 113 2PZ -0.02650 0.00000 -0.00949 0.00001 -0.02404 114 3S 0.03754 0.00000 0.04565 0.05076 -0.02533 115 3PX 0.00000 0.08712 0.00000 0.00000 0.00000 116 3PY -0.03937 0.00000 0.00328 -0.02472 -0.03163 117 3PZ -0.02587 0.00000 -0.01404 -0.00342 -0.03493 118 4S 0.08480 0.00000 -0.15165 -0.29404 -0.37214 119 4PX 0.00000 0.35345 0.00000 0.00000 0.00000 120 4PY 0.03867 0.00000 0.17809 0.22077 -0.04405 121 4PZ -0.48872 0.00000 -0.07458 0.01619 0.04347 122 5S -7.54386 0.00000 -11.15032 0.43660 31.83374 123 5PX 0.00000 -2.58103 0.00000 0.00000 0.00000 124 5PY 5.82365 0.00000 2.22739 5.80094 2.89734 125 5PZ -1.95795 0.00000 3.41621 -4.79322 -8.37139 126 6D 0 0.00316 0.00000 0.00146 -0.00504 0.00257 127 6D+1 0.00000 0.00390 0.00000 0.00000 0.00000 128 6D-1 0.00284 0.00000 -0.00339 -0.00441 0.00876 129 6D+2 -0.00687 0.00000 -0.00192 0.00005 0.00269 130 6D-2 0.00000 -0.00095 0.00000 0.00000 0.00000 131 7D 0 0.04370 0.00000 0.02548 -0.01688 0.00561 132 7D+1 0.00000 -0.01587 0.00000 0.00000 0.00000 133 7D-1 -0.02095 0.00000 0.02414 -0.05063 -0.00518 134 7D+2 0.00359 0.00000 -0.00443 0.02588 0.04331 135 7D-2 0.00000 -0.01261 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 0.00000 -0.00819 0.00000 0.00831 137 2S 0.00000 0.00000 -0.01418 0.00000 0.01420 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00850 0.00000 0.00000 0.01887 0.00000 140 2PZ 0.00000 0.00000 -0.00040 0.00000 0.04266 141 3S 0.00000 0.00000 0.05651 0.00000 -0.05830 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.01500 0.00000 0.00000 0.02879 0.00000 144 3PZ 0.00000 0.00000 -0.00388 0.00000 0.07537 145 4S 0.00000 0.00000 0.16056 0.00000 0.02609 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.03172 0.00000 0.00000 0.05311 0.00000 148 4PZ 0.00000 0.00000 -0.08129 0.00000 -0.10083 149 5S 0.00000 0.00000 4.79680 0.00000 -0.05709 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 2.97376 0.00000 0.00000 1.72336 0.00000 152 5PZ 0.00000 0.00000 -1.12671 0.00000 1.36891 153 6D 0 0.00000 0.00000 -0.00017 0.00000 -0.00047 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00224 0.00000 0.00000 -0.00237 0.00000 156 6D+2 0.00000 0.00000 -0.00168 0.00000 0.00285 157 6D-2 0.00000 0.00455 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00803 0.00000 0.01378 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00481 0.00000 0.00000 -0.01715 0.00000 161 7D+2 0.00000 0.00000 -0.01949 0.00000 -0.00147 162 7D-2 0.00000 0.00844 0.00000 0.00000 0.00000 163 7 H 1S 0.02584 0.00000 0.00431 -0.01981 0.00929 164 2S 0.12808 0.00000 -0.01318 0.06605 0.12653 165 3S 0.25388 0.00000 0.00546 -0.87062 -0.29366 166 4PX 0.00000 -0.00190 0.00000 0.00000 0.00000 167 4PY -0.00074 0.00000 0.00318 -0.00304 -0.00167 168 4PZ -0.00044 0.00000 0.00475 -0.01363 0.00444 169 8 H 1S 0.02924 0.00000 -0.03498 -0.02307 0.01961 170 2S -0.01822 0.00000 -0.00305 -0.09769 0.01602 171 3S 0.93248 0.00000 -0.97656 0.03947 0.61634 172 4PX 0.00000 0.00048 0.00000 0.00000 0.00000 173 4PY 0.00926 0.00000 -0.00857 -0.00368 -0.00258 174 4PZ -0.00820 0.00000 -0.00276 0.00064 -0.01302 175 9 H 1S 0.00000 0.00000 -0.05207 0.00000 0.02520 176 2S 0.00000 0.00000 -0.09189 0.00000 -0.02060 177 3S 0.00000 0.00000 -0.96501 0.00000 1.31117 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00134 0.00000 0.00000 0.01568 0.00000 180 4PZ 0.00000 0.00000 0.01232 0.00000 -0.00433 181 10 H 1S -0.02924 0.00000 -0.03498 0.02307 0.01961 182 2S 0.01822 0.00000 -0.00305 0.09769 0.01602 183 3S -0.93248 0.00000 -0.97656 -0.03947 0.61634 184 4PX 0.00000 -0.00048 0.00000 0.00000 0.00000 185 4PY 0.00926 0.00000 0.00857 -0.00368 0.00258 186 4PZ 0.00820 0.00000 -0.00276 -0.00064 -0.01302 187 11 H 1S -0.02584 0.00000 0.00431 0.01981 0.00929 188 2S -0.12808 0.00000 -0.01318 -0.06605 0.12653 189 3S -0.25388 0.00000 0.00546 0.87062 -0.29366 190 4PX 0.00000 0.00190 0.00000 0.00000 0.00000 191 4PY -0.00074 0.00000 -0.00318 -0.00304 0.00167 192 4PZ 0.00044 0.00000 0.00475 0.01363 0.00444 41 42 43 44 45 (B1)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 0.15692 0.16582 0.19427 0.19938 0.20165 1 1 C 1S 0.00000 -0.01382 0.00310 -0.02127 -0.01708 2 2S 0.00000 -0.02219 0.00390 -0.03455 -0.02786 3 2PX -0.08291 0.00000 0.00000 0.00000 0.00000 4 2PY 0.00000 -0.03022 0.07343 -0.02464 -0.04835 5 2PZ 0.00000 -0.00653 -0.02666 0.05172 0.01439 6 3S 0.00000 0.05518 0.01316 0.10229 0.05151 7 3PX -0.11671 0.00000 0.00000 0.00000 0.00000 8 3PY 0.00000 -0.02191 0.08438 -0.00550 -0.03243 9 3PZ 0.00000 0.00140 -0.04053 0.08117 0.02130 10 4S 0.00000 0.60126 -0.72205 0.26185 1.10939 11 4PX -0.39470 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00000 -0.03288 0.29899 -0.50392 -0.16733 13 4PZ 0.00000 0.02690 -0.26876 0.41567 0.04372 14 5S 0.00000 10.57095 6.40724 8.79978 -38.70053 15 5PX 1.09571 0.00000 0.00000 0.00000 0.00000 16 5PY 0.00000 -0.18949 -2.81053 0.20270 -10.02875 17 5PZ 0.00000 -1.65722 -3.63528 -0.90192 5.73932 18 6D 0 0.00000 0.00067 -0.00349 0.00489 -0.00151 19 6D+1 -0.00652 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.01065 -0.01286 0.00022 0.00047 21 6D+2 0.00000 0.00305 0.00111 0.00655 0.00008 22 6D-2 0.00259 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.00000 -0.03138 -0.00091 -0.01135 0.03095 24 7D+1 0.00392 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.01424 -0.02759 -0.04650 0.02126 26 7D+2 0.00000 -0.01481 0.00613 0.03695 -0.03291 27 7D-2 0.01088 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 -0.02008 0.01834 -0.01241 0.00991 29 2S 0.00000 -0.03207 0.02856 -0.02042 0.01587 30 2PX 0.12230 0.00000 0.00000 0.00000 0.00000 31 2PY 0.00000 -0.02796 0.08482 0.00044 -0.00769 32 2PZ 0.00000 -0.04083 0.02108 -0.01944 0.00605 33 3S 0.00000 0.08051 -0.04967 0.03065 -0.00606 34 3PX 0.16804 0.00000 0.00000 0.00000 0.00000 35 3PY 0.00000 -0.04210 0.09213 0.02455 0.00565 36 3PZ 0.00000 -0.03931 0.02311 -0.03881 -0.00559 37 4S 0.00000 0.70183 -1.12635 1.00408 -0.88685 38 4PX 0.62528 0.00000 0.00000 0.00000 0.00000 39 4PY 0.00000 -0.34917 0.60999 0.18302 -0.17603 40 4PZ 0.00000 -0.24946 0.20162 -0.15030 -0.04995 41 5S 0.00000 -4.99737 17.91934 -39.99992 63.82677 42 5PX -2.95009 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00000 0.09641 8.39069 -8.88550 12.39659 44 5PZ 0.00000 -4.06564 -7.94940 -0.48409 -3.36978 45 6D 0 0.00000 0.00987 -0.00241 -0.00207 0.00236 46 6D+1 -0.00081 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.00000 -0.01141 0.01159 0.00468 -0.00253 48 6D+2 0.00000 0.00289 0.00116 0.00159 0.00417 49 6D-2 -0.00773 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.03720 0.00777 0.04803 0.00016 51 7D+1 0.00142 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.00000 -0.02685 0.03468 -0.03680 0.00052 53 7D+2 0.00000 0.02760 -0.00496 -0.01421 0.05316 54 7D-2 0.00464 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 -0.02037 0.00000 0.03568 0.00000 56 2S 0.00000 -0.03187 0.00000 0.05713 0.00000 57 2PX -0.13715 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.03222 0.00000 0.00943 59 2PZ 0.00000 -0.05119 0.00000 0.07662 0.00000 60 3S 0.00000 0.05443 0.00000 -0.09850 0.00000 61 3PX -0.18583 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.02757 0.00000 -0.03207 63 3PZ 0.00000 -0.06920 0.00000 0.05550 0.00000 64 4S 0.00000 1.18149 0.00000 -2.42120 0.00000 65 4PX -0.71130 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.11044 0.00000 -0.16514 67 4PZ 0.00000 -0.15875 0.00000 0.44141 0.00000 68 5S 0.00000 -7.94251 0.00000 62.28519 0.00000 69 5PX 3.71330 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 14.34027 0.00000 20.93249 71 5PZ 0.00000 -1.14559 0.00000 12.75576 0.00000 72 6D 0 0.00000 -0.01376 0.00000 -0.00170 0.00000 73 6D+1 0.00828 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 -0.00610 0.00000 0.00641 75 6D+2 0.00000 -0.01366 0.00000 -0.00273 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00357 0.00000 0.04840 0.00000 78 7D+1 -0.00678 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.02514 0.00000 -0.00827 80 7D+2 0.00000 -0.01543 0.00000 0.06268 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.02008 -0.01834 -0.01241 -0.00991 83 2S 0.00000 -0.03207 -0.02856 -0.02042 -0.01587 84 2PX 0.12230 0.00000 0.00000 0.00000 0.00000 85 2PY 0.00000 0.02796 0.08482 -0.00044 -0.00769 86 2PZ 0.00000 -0.04083 -0.02108 -0.01944 -0.00605 87 3S 0.00000 0.08051 0.04967 0.03065 0.00606 88 3PX 0.16804 0.00000 0.00000 0.00000 0.00000 89 3PY 0.00000 0.04210 0.09213 -0.02455 0.00565 90 3PZ 0.00000 -0.03931 -0.02311 -0.03881 0.00559 91 4S 0.00000 0.70183 1.12635 1.00408 0.88685 92 4PX 0.62528 0.00000 0.00000 0.00000 0.00000 93 4PY 0.00000 0.34917 0.60999 -0.18302 -0.17603 94 4PZ 0.00000 -0.24946 -0.20162 -0.15030 0.04995 95 5S 0.00000 -4.99737 -17.91934 -39.99992 -63.82677 96 5PX -2.95009 0.00000 0.00000 0.00000 0.00000 97 5PY 0.00000 -0.09641 8.39069 8.88550 12.39659 98 5PZ 0.00000 -4.06564 7.94940 -0.48409 3.36978 99 6D 0 0.00000 0.00987 0.00241 -0.00207 -0.00236 100 6D+1 -0.00081 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.01141 0.01159 -0.00468 -0.00253 102 6D+2 0.00000 0.00289 -0.00116 0.00159 -0.00417 103 6D-2 0.00773 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.03720 -0.00777 0.04803 -0.00016 105 7D+1 0.00142 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.02685 0.03468 0.03680 0.00052 107 7D+2 0.00000 0.02760 0.00496 -0.01421 -0.05316 108 7D-2 -0.00464 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 -0.01382 -0.00310 -0.02127 0.01708 110 2S 0.00000 -0.02219 -0.00390 -0.03455 0.02786 111 2PX -0.08291 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.03022 0.07343 0.02464 -0.04835 113 2PZ 0.00000 -0.00653 0.02666 0.05172 -0.01439 114 3S 0.00000 0.05518 -0.01316 0.10229 -0.05151 115 3PX -0.11671 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 0.02191 0.08438 0.00550 -0.03243 117 3PZ 0.00000 0.00140 0.04053 0.08117 -0.02130 118 4S 0.00000 0.60126 0.72205 0.26185 -1.10939 119 4PX -0.39470 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00000 0.03288 0.29899 0.50392 -0.16733 121 4PZ 0.00000 0.02690 0.26876 0.41567 -0.04372 122 5S 0.00000 10.57095 -6.40724 8.79978 38.70053 123 5PX 1.09571 0.00000 0.00000 0.00000 0.00000 124 5PY 0.00000 0.18949 -2.81053 -0.20270 -10.02875 125 5PZ 0.00000 -1.65722 3.63528 -0.90192 -5.73932 126 6D 0 0.00000 0.00067 0.00349 0.00489 0.00151 127 6D+1 -0.00652 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.01065 -0.01286 -0.00022 0.00047 129 6D+2 0.00000 0.00305 -0.00111 0.00655 -0.00008 130 6D-2 -0.00259 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 -0.03138 0.00091 -0.01135 -0.03095 132 7D+1 0.00392 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.01424 -0.02759 0.04650 0.02126 134 7D+2 0.00000 -0.01481 -0.00613 0.03695 0.03291 135 7D-2 -0.01088 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 -0.00795 0.00000 0.01683 0.00000 137 2S 0.00000 -0.01327 0.00000 0.02764 0.00000 138 2PX 0.04625 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.03833 0.00000 0.00722 140 2PZ 0.00000 -0.01685 0.00000 0.02684 0.00000 141 3S 0.00000 0.05183 0.00000 -0.08103 0.00000 142 3PX 0.06441 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.05243 0.00000 0.01228 144 3PZ 0.00000 -0.03299 0.00000 0.03757 0.00000 145 4S 0.00000 -0.07802 0.00000 -0.02918 0.00000 146 4PX 0.15391 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 -0.03663 0.00000 0.34232 148 4PZ 0.00000 0.12558 0.00000 -0.04511 0.00000 149 5S 0.00000 -1.34890 0.00000 1.26569 0.00000 150 5PX 0.15012 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 -0.44681 0.00000 -3.01947 152 5PZ 0.00000 -0.72546 0.00000 -1.64789 0.00000 153 6D 0 0.00000 -0.00240 0.00000 -0.00631 0.00000 154 6D+1 0.00343 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00391 0.00000 0.00073 156 6D+2 0.00000 -0.00046 0.00000 -0.00332 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 -0.02244 0.00000 -0.01874 0.00000 159 7D+1 0.00936 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.03158 0.00000 -0.02702 161 7D+2 0.00000 0.00194 0.00000 -0.02149 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 -0.03949 -0.03741 -0.02701 0.00295 164 2S 0.00000 -0.02663 -0.09374 -0.06222 0.06211 165 3S 0.00000 -1.04137 -1.12445 -1.46930 0.60921 166 4PX -0.01255 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 -0.00411 -0.00753 -0.01392 0.00581 168 4PZ 0.00000 -0.00234 -0.00602 -0.00032 0.00215 169 8 H 1S 0.00000 -0.04589 -0.03906 0.00659 0.02414 170 2S 0.00000 -0.08419 -0.10509 -0.04010 -0.09797 171 3S 0.00000 -1.25691 -1.63864 0.13831 1.07063 172 4PX 0.01195 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00000 -0.01121 -0.01168 -0.00461 0.00913 174 4PZ 0.00000 0.00189 0.01173 -0.00394 -0.00095 175 9 H 1S 0.00000 -0.04896 0.00000 0.01617 0.00000 176 2S 0.00000 -0.11884 0.00000 0.11824 0.00000 177 3S 0.00000 -0.99232 0.00000 1.31517 0.00000 178 4PX -0.01282 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00289 0.00000 -0.00328 180 4PZ 0.00000 0.00513 0.00000 -0.01937 0.00000 181 10 H 1S 0.00000 -0.04589 0.03906 0.00659 -0.02414 182 2S 0.00000 -0.08419 0.10509 -0.04010 0.09797 183 3S 0.00000 -1.25691 1.63864 0.13831 -1.07063 184 4PX 0.01195 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.01121 -0.01168 0.00461 0.00913 186 4PZ 0.00000 0.00189 -0.01173 -0.00394 0.00095 187 11 H 1S 0.00000 -0.03949 0.03741 -0.02701 -0.00295 188 2S 0.00000 -0.02663 0.09374 -0.06222 -0.06211 189 3S 0.00000 -1.04137 1.12445 -1.46930 -0.60921 190 4PX -0.01255 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00411 -0.00753 0.01392 0.00581 192 4PZ 0.00000 -0.00234 0.00602 -0.00032 -0.00215 46 47 48 49 50 (A1)--V (B2)--V (B2)--V (A1)--V (B1)--V Eigenvalues -- 0.20722 0.20893 0.22394 0.23180 0.24367 1 1 C 1S 0.01679 0.00488 -0.03331 -0.01196 0.00000 2 2S 0.02840 0.00773 -0.05450 -0.02049 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 -0.01181 4 2PY 0.03668 0.00401 -0.05117 -0.01000 0.00000 5 2PZ -0.04848 0.01222 0.00512 -0.02195 0.00000 6 3S -0.11949 0.00369 0.15798 0.11428 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 0.01752 8 3PY 0.03945 0.02189 -0.02381 -0.05051 0.00000 9 3PZ -0.04244 0.03234 -0.03031 -0.02700 0.00000 10 4S 0.55590 -0.44695 0.95422 -1.57891 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 -0.17332 12 4PY 0.84937 0.07400 -0.75023 -0.98268 0.00000 13 4PZ -0.57790 0.03961 0.67468 0.35212 0.00000 14 5S 25.94612 50.82865 32.44763 9.37499 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 -2.99627 16 5PY 3.78782 -8.91358 -0.87126 -0.11938 0.00000 17 5PZ -7.04722 -15.91680 -5.97211 -1.95140 0.00000 18 6D 0 0.00020 0.00095 -0.00623 -0.00005 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00134 20 6D-1 -0.00277 0.00009 -0.00333 -0.00188 0.00000 21 6D+2 -0.00881 0.00066 0.00121 0.00414 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00475 23 7D 0 0.02156 -0.00926 -0.04171 -0.01017 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.03580 25 7D-1 -0.00404 -0.01466 0.10397 0.04400 0.00000 26 7D+2 -0.03438 0.02388 0.04805 0.06952 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00925 28 2 C 1S -0.02069 -0.01994 0.02568 0.02632 0.00000 29 2S -0.03350 -0.03192 0.04248 0.04468 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.03421 31 2PY -0.03096 -0.03112 0.03120 0.01208 0.00000 32 2PZ -0.01376 -0.02404 -0.01857 0.03077 0.00000 33 3S 0.08828 0.07022 -0.13183 -0.21461 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 -0.05038 35 3PY -0.03093 -0.02611 -0.01267 -0.01521 0.00000 36 3PZ -0.02948 -0.00594 -0.03828 0.02605 0.00000 37 4S 0.09101 0.71235 -0.48517 1.23735 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 -0.08840 39 4PY -0.72474 -0.51893 0.52665 1.58224 0.00000 40 4PZ -0.36024 -0.01744 0.47731 0.86537 0.00000 41 5S -63.22822 25.96805 -11.28721 -38.16457 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 2.83405 43 5PY -12.48212 17.94628 3.73123 -6.21961 0.00000 44 5PZ -3.64016 -38.20670 -11.87371 0.84871 0.00000 45 6D 0 0.00517 -0.00264 0.00733 0.00453 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00095 47 6D-1 0.00350 0.00321 -0.00592 -0.00182 0.00000 48 6D+2 -0.00037 0.00119 -0.00378 0.00055 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00230 50 7D 0 -0.00306 0.02307 0.01272 -0.04510 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.01844 52 7D-1 0.00868 0.01180 0.11410 0.13030 0.00000 53 7D+2 0.00805 0.03265 -0.05186 -0.15332 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00136 55 3 C 1S 0.01147 0.00000 0.00000 -0.03160 0.00000 56 2S 0.01977 0.00000 0.00000 -0.05272 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.01055 58 2PY 0.00000 0.03941 -0.05514 0.00000 0.00000 59 2PZ -0.02461 0.00000 0.00000 -0.06192 0.00000 60 3S -0.06113 0.00000 0.00000 0.22966 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.01805 62 3PY 0.00000 0.04958 -0.09569 0.00000 0.00000 63 3PZ -0.01212 0.00000 0.00000 -0.04177 0.00000 64 4S 0.57730 0.00000 0.00000 -1.32752 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.05769 66 4PY 0.00000 -0.12456 -0.67802 0.00000 0.00000 67 4PZ 0.44950 0.00000 0.00000 -2.31610 0.00000 68 5S 77.10860 0.00000 0.00000 55.91764 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 -2.51611 70 5PY 0.00000 51.40412 11.26046 0.00000 0.00000 71 5PZ 14.02847 0.00000 0.00000 6.76468 0.00000 72 6D 0 -0.00492 0.00000 0.00000 0.00127 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00089 74 6D-1 0.00000 -0.00271 0.00388 0.00000 0.00000 75 6D+2 -0.00319 0.00000 0.00000 0.00743 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.03986 0.00000 0.00000 -0.25696 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00215 79 7D-1 0.00000 -0.07061 0.01085 0.00000 0.00000 80 7D+2 -0.01118 0.00000 0.00000 0.00837 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.02069 0.01994 -0.02568 0.02632 0.00000 83 2S -0.03350 0.03192 -0.04248 0.04468 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 -0.03421 85 2PY 0.03096 -0.03112 0.03120 -0.01208 0.00000 86 2PZ -0.01376 0.02404 0.01857 0.03077 0.00000 87 3S 0.08828 -0.07022 0.13183 -0.21461 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 -0.05038 89 3PY 0.03093 -0.02611 -0.01267 0.01521 0.00000 90 3PZ -0.02948 0.00594 0.03828 0.02605 0.00000 91 4S 0.09101 -0.71235 0.48517 1.23735 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 -0.08840 93 4PY 0.72474 -0.51893 0.52665 -1.58224 0.00000 94 4PZ -0.36024 0.01744 -0.47731 0.86537 0.00000 95 5S -63.22822 -25.96805 11.28721 -38.16457 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 2.83405 97 5PY 12.48212 17.94628 3.73123 6.21961 0.00000 98 5PZ -3.64016 38.20670 11.87371 0.84871 0.00000 99 6D 0 0.00517 0.00264 -0.00733 0.00453 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00095 101 6D-1 -0.00350 0.00321 -0.00592 0.00182 0.00000 102 6D+2 -0.00037 -0.00119 0.00378 0.00055 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00230 104 7D 0 -0.00306 -0.02307 -0.01272 -0.04510 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.01844 106 7D-1 -0.00868 0.01180 0.11410 -0.13030 0.00000 107 7D+2 0.00805 -0.03265 0.05186 -0.15332 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00136 109 5 C 1S 0.01679 -0.00488 0.03331 -0.01196 0.00000 110 2S 0.02840 -0.00773 0.05450 -0.02049 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 -0.01181 112 2PY -0.03668 0.00401 -0.05117 0.01000 0.00000 113 2PZ -0.04848 -0.01222 -0.00512 -0.02195 0.00000 114 3S -0.11949 -0.00369 -0.15798 0.11428 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.01752 116 3PY -0.03945 0.02189 -0.02381 0.05051 0.00000 117 3PZ -0.04244 -0.03234 0.03031 -0.02700 0.00000 118 4S 0.55590 0.44695 -0.95422 -1.57891 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 -0.17332 120 4PY -0.84937 0.07400 -0.75023 0.98268 0.00000 121 4PZ -0.57790 -0.03961 -0.67468 0.35212 0.00000 122 5S 25.94612 -50.82865 -32.44763 9.37499 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 -2.99627 124 5PY -3.78782 -8.91358 -0.87126 0.11938 0.00000 125 5PZ -7.04722 15.91680 5.97211 -1.95140 0.00000 126 6D 0 0.00020 -0.00095 0.00623 -0.00005 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00134 128 6D-1 0.00277 0.00009 -0.00333 0.00188 0.00000 129 6D+2 -0.00881 -0.00066 -0.00121 0.00414 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00475 131 7D 0 0.02156 0.00926 0.04171 -0.01017 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.03580 133 7D-1 0.00404 -0.01466 0.10397 -0.04400 0.00000 134 7D+2 -0.03438 -0.02388 -0.04805 0.06952 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00925 136 6 N 1S -0.00276 0.00000 0.00000 0.01174 0.00000 137 2S -0.00557 0.00000 0.00000 0.02138 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 -0.12218 139 2PY 0.00000 0.00459 0.03882 0.00000 0.00000 140 2PZ -0.03660 0.00000 0.00000 0.02044 0.00000 141 3S 0.04308 0.00000 0.00000 -0.12973 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 -0.12141 143 3PY 0.00000 -0.00443 0.08272 0.00000 0.00000 144 3PZ -0.05407 0.00000 0.00000 0.02801 0.00000 145 4S -0.42597 0.00000 0.00000 0.82463 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 -0.65581 147 4PY 0.00000 -0.00752 0.20010 0.00000 0.00000 148 4PZ 0.18202 0.00000 0.00000 -0.47844 0.00000 149 5S -5.54657 0.00000 0.00000 3.11136 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 4.04059 151 5PY 0.00000 -1.44911 2.49163 0.00000 0.00000 152 5PZ 2.11542 0.00000 0.00000 -1.54043 0.00000 153 6D 0 0.00746 0.00000 0.00000 -0.00297 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00475 155 6D-1 0.00000 -0.00030 0.00244 0.00000 0.00000 156 6D+2 0.00159 0.00000 0.00000 0.00384 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00672 0.00000 0.00000 0.02370 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.03120 160 7D-1 0.00000 0.00226 0.01213 0.00000 0.00000 161 7D+2 0.02567 0.00000 0.00000 -0.00896 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.04346 -0.00276 0.03108 -0.01351 0.00000 164 2S 0.10408 -0.13869 0.01276 -0.01456 0.00000 165 3S 1.91328 0.63276 2.43320 -0.95753 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00230 167 4PY 0.01536 0.00409 0.02380 -0.01105 0.00000 168 4PZ 0.00724 -0.00262 0.01913 -0.00478 0.00000 169 8 H 1S -0.00490 0.00489 -0.02894 0.03430 0.00000 170 2S -0.12781 -0.02010 0.03976 -0.06468 0.00000 171 3S -0.53835 1.39476 -2.06368 3.02522 0.00000 172 4PX 0.00000 0.00000 0.00000 0.00000 -0.00246 173 4PY -0.00815 0.01324 -0.02603 0.03725 0.00000 174 4PZ 0.00171 0.00084 0.01694 -0.02333 0.00000 175 9 H 1S -0.02525 0.00000 0.00000 -0.05182 0.00000 176 2S 0.15638 0.00000 0.00000 0.07702 0.00000 177 3S -1.00447 0.00000 0.00000 -4.32033 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 -0.00416 179 4PY 0.00000 0.01397 -0.00069 0.00000 0.00000 180 4PZ 0.01194 0.00000 0.00000 0.05707 0.00000 181 10 H 1S -0.00490 -0.00489 0.02894 0.03430 0.00000 182 2S -0.12781 0.02010 -0.03976 -0.06468 0.00000 183 3S -0.53835 -1.39476 2.06368 3.02522 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 -0.00246 185 4PY 0.00815 0.01324 -0.02603 -0.03725 0.00000 186 4PZ 0.00171 -0.00084 -0.01694 -0.02333 0.00000 187 11 H 1S 0.04346 0.00276 -0.03108 -0.01351 0.00000 188 2S 0.10408 0.13869 -0.01276 -0.01456 0.00000 189 3S 1.91328 -0.63276 -2.43320 -0.95753 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00230 191 4PY -0.01536 0.00409 0.02380 0.01105 0.00000 192 4PZ 0.00724 0.00262 -0.01913 -0.00478 0.00000 51 52 53 54 55 (A1)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 0.24930 0.27507 0.29644 0.30504 0.31567 1 1 C 1S 0.01217 -0.02968 -0.00404 0.00629 0.00538 2 2S 0.02108 -0.04722 -0.00447 0.01147 0.00857 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.03737 0.00818 0.04798 -0.07777 -0.01641 5 2PZ -0.00045 0.01896 -0.02987 -0.04538 -0.06967 6 3S -0.09925 0.04697 -0.04616 -0.04869 -0.04247 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.04075 0.04923 -0.02859 -0.16035 -0.06999 9 3PZ -0.00338 0.00190 -0.03610 -0.13349 -0.12127 10 4S 1.32118 3.20615 0.06195 0.25732 0.01346 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.80936 0.95326 0.27616 -1.45272 0.07407 13 4PZ 0.03273 0.34688 -0.19874 -1.66424 -1.71183 14 5S 16.40575 31.45601 11.76864 11.24242 8.38505 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 2.75571 -1.54087 9.29224 -2.81319 -6.36633 17 5PZ -1.80703 -9.86003 5.14611 -3.90107 -7.05315 18 6D 0 0.00463 0.01058 -0.00352 -0.02298 -0.00671 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.01153 -0.00388 0.01307 0.01551 0.01713 21 6D+2 -0.01160 -0.00123 -0.01185 -0.01277 0.00471 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.06426 0.04323 -0.07789 0.12731 0.11252 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.00515 0.14867 -0.11290 0.04080 0.02664 26 7D+2 -0.12451 -0.07148 -0.07584 0.09248 0.01820 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00446 0.00102 0.01075 0.01835 0.02622 29 2S 0.00522 0.00196 0.01768 0.03082 0.04389 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY -0.01199 0.03156 -0.04424 -0.00550 -0.06686 32 2PZ 0.05080 0.02012 -0.01412 -0.03152 0.02703 33 3S 0.07158 -0.00639 -0.01334 -0.05791 -0.07900 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.04284 0.04193 -0.08327 -0.05819 -0.18784 36 3PZ 0.10136 0.00390 0.00902 -0.11873 0.00527 37 4S -1.74279 -0.18487 -1.05560 -3.03288 -3.84593 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -1.38349 0.33191 -1.03636 -0.67609 -1.20773 40 4PZ 0.47842 -0.03692 0.56665 -0.84043 -0.31491 41 5S -26.77935 -26.75819 4.83615 -8.42362 19.05514 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY -4.46260 2.28101 -3.68937 2.71089 8.80124 44 5PZ -3.44883 -8.04029 2.06052 -6.26950 -15.38840 45 6D 0 -0.00642 0.00858 0.00468 0.00136 0.01340 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00767 0.00283 -0.00869 -0.01927 -0.01527 48 6D+2 -0.01185 -0.00243 -0.00582 -0.00395 0.00125 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.01308 -0.07267 0.06530 -0.08763 -0.03495 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.01823 0.08594 -0.04475 0.03908 0.01193 53 7D+2 0.03473 -0.06480 0.05681 0.00766 0.03493 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.01958 -0.00571 0.00000 -0.01415 0.00000 56 2S -0.03303 -0.00964 0.00000 -0.02416 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 -0.06834 0.00000 -0.09920 59 2PZ 0.06780 -0.00114 0.00000 0.09483 0.00000 60 3S 0.04140 0.04921 0.00000 0.01753 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 -0.13792 0.00000 -0.19131 63 3PZ 0.16933 -0.00186 0.00000 0.08716 0.00000 64 4S 3.25373 0.03367 0.00000 1.52793 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 -1.64722 0.00000 -2.52527 67 4PZ 1.55895 -0.15422 0.00000 1.70727 0.00000 68 5S 27.48403 -4.08536 0.00000 -10.08435 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.61660 0.00000 24.19797 71 5PZ 6.61396 1.12773 0.00000 2.30644 0.00000 72 6D 0 0.00573 0.00314 0.00000 -0.01350 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.01461 0.00000 0.03566 75 6D+2 0.01088 -0.00173 0.00000 0.00165 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00858 -0.08871 0.00000 -0.02698 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 -0.08028 0.00000 -0.07955 80 7D+2 -0.07743 -0.07825 0.00000 -0.09514 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00446 0.00102 -0.01075 0.01835 -0.02622 83 2S 0.00522 0.00196 -0.01768 0.03082 -0.04389 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.01199 -0.03156 -0.04424 0.00550 -0.06686 86 2PZ 0.05080 0.02012 0.01412 -0.03152 -0.02703 87 3S 0.07158 -0.00639 0.01334 -0.05791 0.07900 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.04284 -0.04193 -0.08327 0.05819 -0.18784 90 3PZ 0.10136 0.00390 -0.00902 -0.11873 -0.00527 91 4S -1.74279 -0.18487 1.05560 -3.03288 3.84593 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 1.38349 -0.33191 -1.03636 0.67609 -1.20773 94 4PZ 0.47842 -0.03692 -0.56665 -0.84043 0.31491 95 5S -26.77935 -26.75819 -4.83615 -8.42362 -19.05514 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 4.46260 -2.28101 -3.68937 -2.71089 8.80124 98 5PZ -3.44883 -8.04029 -2.06052 -6.26950 15.38840 99 6D 0 -0.00642 0.00858 -0.00468 0.00136 -0.01340 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00767 -0.00283 -0.00869 0.01927 -0.01527 102 6D+2 -0.01185 -0.00243 0.00582 -0.00395 -0.00125 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.01308 -0.07267 -0.06530 -0.08763 0.03495 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.01823 -0.08594 -0.04475 -0.03908 0.01193 107 7D+2 0.03473 -0.06480 -0.05681 0.00766 -0.03493 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.01217 -0.02968 0.00404 0.00629 -0.00538 110 2S 0.02108 -0.04722 0.00447 0.01147 -0.00857 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.03737 -0.00818 0.04798 0.07777 -0.01641 113 2PZ -0.00045 0.01896 0.02987 -0.04538 0.06967 114 3S -0.09925 0.04697 0.04616 -0.04869 0.04247 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.04075 -0.04923 -0.02859 0.16035 -0.06999 117 3PZ -0.00338 0.00190 0.03610 -0.13349 0.12127 118 4S 1.32118 3.20615 -0.06195 0.25732 -0.01346 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.80936 -0.95326 0.27616 1.45272 0.07407 121 4PZ 0.03273 0.34688 0.19874 -1.66424 1.71183 122 5S 16.40575 31.45601 -11.76864 11.24242 -8.38505 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -2.75571 1.54087 9.29224 2.81319 -6.36633 125 5PZ -1.80703 -9.86003 -5.14611 -3.90107 7.05315 126 6D 0 0.00463 0.01058 0.00352 -0.02298 0.00671 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.01153 0.00388 0.01307 -0.01551 0.01713 129 6D+2 -0.01160 -0.00123 0.01185 -0.01277 -0.00471 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.06426 0.04323 0.07789 0.12731 -0.11252 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.00515 -0.14867 -0.11290 -0.04080 0.02664 134 7D+2 -0.12451 -0.07148 0.07584 0.09248 -0.01820 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.04735 0.01323 0.00000 -0.02218 0.00000 137 2S -0.07801 0.02182 0.00000 -0.03516 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 -0.08979 0.00000 -0.04705 140 2PZ -0.00794 -0.01390 0.00000 -0.11249 0.00000 141 3S 0.25590 -0.03575 0.00000 0.03319 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 -0.12542 0.00000 -0.08055 144 3PZ -0.06686 0.02132 0.00000 -0.16413 0.00000 145 4S 0.24692 -1.47165 0.00000 2.01485 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 -0.78963 0.00000 -0.36469 148 4PZ 0.79686 0.40042 0.00000 -1.14432 0.00000 149 5S -11.98421 -9.02601 0.00000 7.08383 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 8.47326 0.00000 -6.12478 152 5PZ 0.45995 6.76764 0.00000 0.99039 0.00000 153 6D 0 0.00434 0.00156 0.00000 0.00154 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00969 0.00000 -0.00683 156 6D+2 -0.00410 -0.01489 0.00000 0.01034 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.05966 0.03627 0.00000 0.07149 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.06932 0.00000 0.01006 161 7D+2 0.01879 0.04306 0.00000 0.02433 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.01466 -0.01930 -0.02322 -0.01899 0.06358 164 2S 0.04300 0.12741 0.20233 -0.01146 0.10346 165 3S 0.58442 -1.25528 -2.54190 -1.08076 -0.01781 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.01348 -0.01836 -0.04999 0.00907 -0.00685 168 4PZ 0.00162 -0.00198 -0.00091 -0.03863 0.00221 169 8 H 1S 0.02226 0.01728 0.01846 -0.03123 0.03874 170 2S -0.07340 -0.01225 -0.01648 -0.23850 0.19538 171 3S 0.39365 0.96132 0.81504 0.18130 0.16766 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00486 0.00877 0.01047 0.01041 -0.00841 174 4PZ 0.00676 -0.01380 -0.01250 -0.00714 0.00172 175 9 H 1S 0.00728 -0.00243 0.00000 -0.04655 0.00000 176 2S 0.07227 0.09005 0.00000 -0.21286 0.00000 177 3S 0.57170 -0.52588 0.00000 1.95274 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 -0.01744 0.00000 -0.04040 180 4PZ -0.00198 0.01389 0.00000 -0.02277 0.00000 181 10 H 1S 0.02226 0.01728 -0.01846 -0.03123 -0.03874 182 2S -0.07340 -0.01225 0.01648 -0.23850 -0.19538 183 3S 0.39365 0.96132 -0.81504 0.18130 -0.16766 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00486 -0.00877 0.01047 -0.01041 -0.00841 186 4PZ 0.00676 -0.01380 0.01250 -0.00714 -0.00172 187 11 H 1S 0.01466 -0.01930 0.02322 -0.01899 -0.06358 188 2S 0.04300 0.12741 -0.20233 -0.01146 -0.10346 189 3S 0.58442 -1.25528 2.54190 -1.08076 0.01781 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.01348 0.01836 -0.04999 -0.00907 -0.00685 192 4PZ 0.00162 -0.00198 0.00091 -0.03863 -0.00221 56 57 58 59 60 (A1)--V (B2)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 0.31639 0.32604 0.42711 0.45311 0.47532 1 1 C 1S -0.01115 0.03782 0.00274 0.00000 0.01833 2 2S -0.01933 0.06360 0.00743 0.00000 0.02866 3 2PX 0.00000 0.00000 0.00000 -0.02426 0.00000 4 2PY -0.01445 -0.08802 -0.05908 0.00000 -0.02054 5 2PZ -0.09836 0.04974 -0.05936 0.00000 -0.01073 6 3S 0.03445 -0.12025 -0.15349 0.00000 -0.01077 7 3PX 0.00000 0.00000 0.00000 -0.07216 0.00000 8 3PY -0.00003 -0.15500 -0.03219 0.00000 0.04037 9 3PZ -0.20440 0.12869 -0.12404 0.00000 -0.17913 10 4S 1.94465 -3.61303 3.08197 0.00000 0.24262 11 4PX 0.00000 0.00000 0.00000 0.16711 0.00000 12 4PY 0.02168 -1.22582 0.66305 0.00000 0.98483 13 4PZ -1.16471 1.45450 -1.71521 0.00000 1.64052 14 5S -11.78868 14.41868 -5.46391 0.00000 15.63207 15 5PX 0.00000 0.00000 0.00000 -0.07427 0.00000 16 5PY 2.27241 -3.41572 -0.96054 0.00000 3.38011 17 5PZ 3.54063 -4.32006 1.44852 0.00000 -1.43707 18 6D 0 -0.00571 0.01804 -0.02015 0.00000 0.02261 19 6D+1 0.00000 0.00000 0.00000 -0.00204 0.00000 20 6D-1 -0.00637 0.01475 -0.01525 0.00000 -0.01096 21 6D+2 -0.00189 -0.00759 -0.00467 0.00000 -0.00628 22 6D-2 0.00000 0.00000 0.00000 -0.00086 0.00000 23 7D 0 0.01944 -0.05953 0.06284 0.00000 0.11843 24 7D+1 0.00000 0.00000 0.00000 -0.16838 0.00000 25 7D-1 -0.01128 0.04070 0.02057 0.00000 0.24144 26 7D+2 -0.02964 0.03399 -0.10752 0.00000 -0.09262 27 7D-2 0.00000 0.00000 0.00000 0.32956 0.00000 28 2 C 1S 0.00064 -0.01774 0.02404 0.00000 -0.01503 29 2S -0.00020 -0.03018 0.04162 0.00000 -0.02590 30 2PX 0.00000 0.00000 0.00000 0.00211 0.00000 31 2PY 0.07623 0.05193 -0.00740 0.00000 -0.01952 32 2PZ -0.07134 0.08231 -0.05362 0.00000 0.12615 33 3S 0.01559 0.03745 -0.04452 0.00000 0.10987 34 3PX 0.00000 0.00000 0.00000 -0.00314 0.00000 35 3PY 0.11284 0.04757 0.03724 0.00000 -0.13611 36 3PZ -0.15234 0.12090 -0.07761 0.00000 0.34721 37 4S -0.24812 1.84376 -3.95875 0.00000 -0.81793 38 4PX 0.00000 0.00000 0.00000 -0.30640 0.00000 39 4PY 1.34559 0.58417 -1.53075 0.00000 -0.60599 40 4PZ -1.79095 2.34190 -1.52329 0.00000 0.76110 41 5S 6.52146 2.20976 11.40089 0.00000 -9.84572 42 5PX 0.00000 0.00000 0.00000 0.21706 0.00000 43 5PY -2.42357 6.32653 1.39210 0.00000 -2.07514 44 5PZ 6.65303 -9.21752 0.17295 0.00000 -0.65204 45 6D 0 0.02695 -0.01899 -0.00052 0.00000 0.00875 46 6D+1 0.00000 0.00000 0.00000 0.00442 0.00000 47 6D-1 0.00727 -0.02024 0.01622 0.00000 0.00639 48 6D+2 0.01519 -0.00252 -0.01512 0.00000 0.00614 49 6D-2 0.00000 0.00000 0.00000 0.00706 0.00000 50 7D 0 -0.03710 0.07322 -0.05571 0.00000 -0.02418 51 7D+1 0.00000 0.00000 0.00000 0.11917 0.00000 52 7D-1 -0.05248 0.03422 0.03610 0.00000 0.16478 53 7D+2 -0.04205 -0.04385 0.00079 0.00000 -0.02945 54 7D-2 0.00000 0.00000 0.00000 0.25859 0.00000 55 3 C 1S 0.03142 0.00000 -0.00542 0.00000 0.00000 56 2S 0.05199 0.00000 -0.00708 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00235 0.00000 58 2PY 0.00000 -0.05554 0.00000 0.00000 0.03117 59 2PZ -0.06045 0.00000 0.02052 0.00000 0.00000 60 3S -0.09243 0.00000 -0.05689 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00887 0.00000 62 3PY 0.00000 -0.13162 0.00000 0.00000 0.13577 63 3PZ -0.17082 0.00000 0.10344 0.00000 0.00000 64 4S -3.80567 0.00000 2.90058 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 -0.14674 0.00000 66 4PY 0.00000 -0.31381 0.00000 0.00000 -2.75084 67 4PZ -1.25749 0.00000 1.96842 0.00000 0.00000 68 5S 12.21390 0.00000 -10.92219 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.03553 0.00000 70 5PY 0.00000 9.67390 0.00000 0.00000 -0.05582 71 5PZ -1.20588 0.00000 -1.44556 0.00000 0.00000 72 6D 0 -0.01722 0.00000 0.01393 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00608 0.00000 74 6D-1 0.00000 -0.02031 0.00000 0.00000 0.02668 75 6D+2 -0.02133 0.00000 0.00900 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -0.02542 0.00000 0.10524 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.35600 0.00000 79 7D-1 0.00000 -0.02908 0.00000 0.00000 -0.14689 80 7D+2 0.02301 0.00000 -0.13838 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00064 0.01774 0.02404 0.00000 0.01503 83 2S -0.00020 0.03018 0.04162 0.00000 0.02590 84 2PX 0.00000 0.00000 0.00000 0.00211 0.00000 85 2PY -0.07623 0.05193 0.00740 0.00000 -0.01952 86 2PZ -0.07134 -0.08231 -0.05362 0.00000 -0.12615 87 3S 0.01559 -0.03745 -0.04452 0.00000 -0.10987 88 3PX 0.00000 0.00000 0.00000 -0.00314 0.00000 89 3PY -0.11284 0.04757 -0.03724 0.00000 -0.13611 90 3PZ -0.15234 -0.12090 -0.07761 0.00000 -0.34721 91 4S -0.24812 -1.84376 -3.95875 0.00000 0.81793 92 4PX 0.00000 0.00000 0.00000 -0.30640 0.00000 93 4PY -1.34559 0.58417 1.53075 0.00000 -0.60599 94 4PZ -1.79095 -2.34190 -1.52329 0.00000 -0.76110 95 5S 6.52146 -2.20976 11.40089 0.00000 9.84572 96 5PX 0.00000 0.00000 0.00000 0.21706 0.00000 97 5PY 2.42357 6.32653 -1.39210 0.00000 -2.07514 98 5PZ 6.65303 9.21752 0.17295 0.00000 0.65204 99 6D 0 0.02695 0.01899 -0.00052 0.00000 -0.00875 100 6D+1 0.00000 0.00000 0.00000 0.00442 0.00000 101 6D-1 -0.00727 -0.02024 -0.01622 0.00000 0.00639 102 6D+2 0.01519 0.00252 -0.01512 0.00000 -0.00614 103 6D-2 0.00000 0.00000 0.00000 -0.00706 0.00000 104 7D 0 -0.03710 -0.07322 -0.05571 0.00000 0.02418 105 7D+1 0.00000 0.00000 0.00000 0.11917 0.00000 106 7D-1 0.05248 0.03422 -0.03610 0.00000 0.16478 107 7D+2 -0.04205 0.04385 0.00079 0.00000 0.02945 108 7D-2 0.00000 0.00000 0.00000 -0.25859 0.00000 109 5 C 1S -0.01115 -0.03782 0.00274 0.00000 -0.01833 110 2S -0.01933 -0.06360 0.00743 0.00000 -0.02866 111 2PX 0.00000 0.00000 0.00000 -0.02426 0.00000 112 2PY 0.01445 -0.08802 0.05908 0.00000 -0.02054 113 2PZ -0.09836 -0.04974 -0.05936 0.00000 0.01073 114 3S 0.03445 0.12025 -0.15349 0.00000 0.01077 115 3PX 0.00000 0.00000 0.00000 -0.07216 0.00000 116 3PY 0.00003 -0.15500 0.03219 0.00000 0.04037 117 3PZ -0.20440 -0.12869 -0.12404 0.00000 0.17913 118 4S 1.94465 3.61303 3.08197 0.00000 -0.24262 119 4PX 0.00000 0.00000 0.00000 0.16711 0.00000 120 4PY -0.02168 -1.22582 -0.66305 0.00000 0.98483 121 4PZ -1.16471 -1.45450 -1.71521 0.00000 -1.64052 122 5S -11.78868 -14.41868 -5.46391 0.00000 -15.63207 123 5PX 0.00000 0.00000 0.00000 -0.07427 0.00000 124 5PY -2.27241 -3.41572 0.96054 0.00000 3.38011 125 5PZ 3.54063 4.32006 1.44852 0.00000 1.43707 126 6D 0 -0.00571 -0.01804 -0.02015 0.00000 -0.02261 127 6D+1 0.00000 0.00000 0.00000 -0.00204 0.00000 128 6D-1 0.00637 0.01475 0.01525 0.00000 -0.01096 129 6D+2 -0.00189 0.00759 -0.00467 0.00000 0.00628 130 6D-2 0.00000 0.00000 0.00000 0.00086 0.00000 131 7D 0 0.01944 0.05953 0.06284 0.00000 -0.11843 132 7D+1 0.00000 0.00000 0.00000 -0.16838 0.00000 133 7D-1 0.01128 0.04070 -0.02057 0.00000 0.24144 134 7D+2 -0.02964 -0.03399 -0.10752 0.00000 0.09262 135 7D-2 0.00000 0.00000 0.00000 -0.32956 0.00000 136 6 N 1S -0.02094 0.00000 -0.00504 0.00000 0.00000 137 2S -0.03414 0.00000 -0.00837 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.02674 0.00000 139 2PY 0.00000 -0.13403 0.00000 0.00000 -0.06199 140 2PZ 0.07361 0.00000 0.04771 0.00000 0.00000 141 3S 0.10165 0.00000 0.05298 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 -0.06399 0.00000 143 3PY 0.00000 -0.20544 0.00000 0.00000 -0.03057 144 3PZ 0.06260 0.00000 0.08841 0.00000 0.00000 145 4S 0.57242 0.00000 -1.04667 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 -0.26848 0.00000 147 4PY 0.00000 -0.97177 0.00000 0.00000 0.91714 148 4PZ 0.61585 0.00000 0.69437 0.00000 0.00000 149 5S -4.33745 0.00000 2.24716 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.01909 0.00000 151 5PY 0.00000 0.38371 0.00000 0.00000 3.29986 152 5PZ -0.46514 0.00000 -0.32090 0.00000 0.00000 153 6D 0 0.00760 0.00000 0.01050 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00846 0.00000 155 6D-1 0.00000 -0.01814 0.00000 0.00000 -0.00563 156 6D+2 0.00358 0.00000 0.01208 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.01322 0.00000 0.02584 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 -0.03398 0.00000 160 7D-1 0.00000 0.00517 0.00000 0.00000 -0.08920 161 7D+2 0.03701 0.00000 0.09073 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.02826 0.01782 0.04634 0.00000 -0.06067 164 2S 0.03681 0.06890 0.45757 0.00000 -0.64457 165 3S 0.76013 1.05705 -0.51508 0.00000 0.71585 166 4PX 0.00000 0.00000 0.00000 -0.00205 0.00000 167 4PY 0.01431 0.00587 0.00732 0.00000 0.03998 168 4PZ -0.01348 0.00683 -0.02128 0.00000 -0.00381 169 8 H 1S -0.02994 0.02966 0.08596 0.00000 0.00167 170 2S -0.18739 0.16993 0.65667 0.00000 0.07514 171 3S 0.89454 -1.74248 -2.34465 0.00000 -0.18577 172 4PX 0.00000 0.00000 0.00000 -0.01792 0.00000 173 4PY -0.00612 -0.03406 -0.02317 0.00000 -0.00807 174 4PZ -0.03736 -0.01379 0.00329 0.00000 0.01683 175 9 H 1S -0.05171 0.00000 0.04696 0.00000 0.00000 176 2S -0.25823 0.00000 0.58738 0.00000 0.00000 177 3S -0.18126 0.00000 -0.15326 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 -0.01219 0.00000 179 4PY 0.00000 0.01066 0.00000 0.00000 -0.04768 180 4PZ -0.00571 0.00000 0.00169 0.00000 0.00000 181 10 H 1S -0.02994 -0.02966 0.08596 0.00000 -0.00167 182 2S -0.18739 -0.16993 0.65667 0.00000 -0.07514 183 3S 0.89454 1.74248 -2.34465 0.00000 0.18577 184 4PX 0.00000 0.00000 0.00000 -0.01792 0.00000 185 4PY 0.00612 -0.03406 0.02317 0.00000 -0.00807 186 4PZ -0.03736 0.01379 0.00329 0.00000 -0.01683 187 11 H 1S 0.02826 -0.01782 0.04634 0.00000 0.06067 188 2S 0.03681 -0.06890 0.45757 0.00000 0.64457 189 3S 0.76013 -1.05705 -0.51508 0.00000 -0.71585 190 4PX 0.00000 0.00000 0.00000 -0.00205 0.00000 191 4PY -0.01431 0.00587 -0.00732 0.00000 0.03998 192 4PZ -0.01348 -0.00683 -0.02128 0.00000 0.00381 61 62 63 64 65 (A1)--V (B2)--V (A1)--V (B1)--V (A2)--V Eigenvalues -- 0.47947 0.50277 0.50824 0.52204 0.52612 1 1 C 1S -0.04144 -0.01373 -0.01035 0.00000 0.00000 2 2S -0.07114 -0.02432 -0.01703 0.00000 0.00000 3 2PX 0.00000 0.00000 0.00000 -0.06142 -0.08994 4 2PY 0.05929 0.01973 0.02749 0.00000 0.00000 5 2PZ -0.02611 -0.04644 0.04196 0.00000 0.00000 6 3S 0.12657 0.10575 0.01055 0.00000 0.00000 7 3PX 0.00000 0.00000 0.00000 -0.22948 -0.34581 8 3PY 0.10622 0.05395 -0.07394 0.00000 0.00000 9 3PZ -0.00011 0.02251 0.11700 0.00000 0.00000 10 4S 4.41783 -1.41133 0.23155 0.00000 0.00000 11 4PX 0.00000 0.00000 0.00000 0.41121 0.62860 12 4PY 1.96666 1.14783 -0.70931 0.00000 0.00000 13 4PZ -1.42408 2.12638 -0.97508 0.00000 0.00000 14 5S -1.81217 -5.10971 5.58587 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00000 0.42440 -0.39669 16 5PY 2.24928 -2.35430 0.59398 0.00000 0.00000 17 5PZ 0.82794 0.08673 -1.03806 0.00000 0.00000 18 6D 0 -0.00820 0.00470 -0.01096 0.00000 0.00000 19 6D+1 0.00000 0.00000 0.00000 -0.00233 0.00429 20 6D-1 0.00644 -0.00145 0.01089 0.00000 0.00000 21 6D+2 0.01701 0.00668 0.00427 0.00000 0.00000 22 6D-2 0.00000 0.00000 0.00000 -0.00247 -0.00551 23 7D 0 0.01174 -0.16216 0.09508 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.02328 0.13211 25 7D-1 -0.14729 -0.16583 -0.04751 0.00000 0.00000 26 7D+2 -0.03664 -0.14573 0.10276 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.17748 -0.12171 28 2 C 1S 0.03567 0.02058 -0.01857 0.00000 0.00000 29 2S 0.05817 0.03188 -0.03215 0.00000 0.00000 30 2PX 0.00000 0.00000 0.00000 -0.09982 -0.10372 31 2PY -0.03524 -0.00256 0.09651 0.00000 0.00000 32 2PZ -0.03883 0.02856 -0.08862 0.00000 0.00000 33 3S 0.02431 0.03218 0.10894 0.00000 0.00000 34 3PX 0.00000 0.00000 0.00000 -0.40190 -0.39653 35 3PY -0.01463 0.19050 0.12431 0.00000 0.00000 36 3PZ -0.03770 0.19022 -0.21476 0.00000 0.00000 37 4S -5.88507 -0.01458 -1.16947 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.44122 0.83197 39 4PY -3.40950 -1.59022 -0.38016 0.00000 0.00000 40 4PZ -1.32905 2.53462 0.21601 0.00000 0.00000 41 5S 4.60113 16.62067 -20.47353 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 -0.61170 -0.51535 43 5PY -1.21768 4.04097 -3.47418 0.00000 0.00000 44 5PZ -0.04566 -2.58756 -1.03312 0.00000 0.00000 45 6D 0 0.00817 -0.00504 -0.00237 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.00000 -0.00166 -0.00225 47 6D-1 0.00193 -0.00170 -0.00996 0.00000 0.00000 48 6D+2 -0.01952 -0.02722 0.00282 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00042 -0.00798 50 7D 0 0.10556 0.30651 -0.17464 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.04452 -0.14917 52 7D-1 -0.19825 -0.16942 0.33201 0.00000 0.00000 53 7D+2 0.25309 0.03820 -0.12161 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.00000 -0.08406 -0.10668 55 3 C 1S -0.03808 0.00000 0.02888 0.00000 0.00000 56 2S -0.06449 0.00000 0.04435 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.15085 0.00000 58 2PY 0.00000 -0.19286 0.00000 0.00000 0.00000 59 2PZ 0.03854 0.00000 0.01879 0.00000 0.00000 60 3S 0.03364 0.00000 0.03453 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.57661 0.00000 62 3PY 0.00000 -0.41658 0.00000 0.00000 0.00000 63 3PZ 0.05591 0.00000 0.35177 0.00000 0.00000 64 4S 6.97868 0.00000 0.59366 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 1.02023 0.00000 66 4PY 0.00000 -1.93956 0.00000 0.00000 0.00000 67 4PZ 3.91135 0.00000 -0.32898 0.00000 0.00000 68 5S -3.44245 0.00000 29.81873 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 -0.13813 0.00000 70 5PY 0.00000 6.24484 0.00000 0.00000 0.00000 71 5PZ 0.90484 0.00000 5.17443 0.00000 0.00000 72 6D 0 -0.02097 0.00000 0.02289 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00613 0.00000 74 6D-1 0.00000 0.00127 0.00000 0.00000 0.00000 75 6D+2 0.00932 0.00000 -0.01959 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00334 77 7D 0 0.32100 0.00000 -0.37205 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.04898 0.00000 79 7D-1 0.00000 -0.08039 0.00000 0.00000 0.00000 80 7D+2 -0.01690 0.00000 -0.44704 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.16548 82 4 C 1S 0.03567 -0.02058 -0.01857 0.00000 0.00000 83 2S 0.05817 -0.03188 -0.03215 0.00000 0.00000 84 2PX 0.00000 0.00000 0.00000 -0.09982 0.10372 85 2PY 0.03524 -0.00256 -0.09651 0.00000 0.00000 86 2PZ -0.03883 -0.02856 -0.08862 0.00000 0.00000 87 3S 0.02431 -0.03218 0.10894 0.00000 0.00000 88 3PX 0.00000 0.00000 0.00000 -0.40190 0.39653 89 3PY 0.01463 0.19050 -0.12431 0.00000 0.00000 90 3PZ -0.03770 -0.19022 -0.21476 0.00000 0.00000 91 4S -5.88507 0.01458 -1.16947 0.00000 0.00000 92 4PX 0.00000 0.00000 0.00000 0.44122 -0.83197 93 4PY 3.40950 -1.59022 0.38016 0.00000 0.00000 94 4PZ -1.32905 -2.53462 0.21601 0.00000 0.00000 95 5S 4.60113 -16.62067 -20.47353 0.00000 0.00000 96 5PX 0.00000 0.00000 0.00000 -0.61170 0.51535 97 5PY 1.21768 4.04097 3.47418 0.00000 0.00000 98 5PZ -0.04566 2.58756 -1.03312 0.00000 0.00000 99 6D 0 0.00817 0.00504 -0.00237 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.00000 -0.00166 0.00225 101 6D-1 -0.00193 -0.00170 0.00996 0.00000 0.00000 102 6D+2 -0.01952 0.02722 0.00282 0.00000 0.00000 103 6D-2 0.00000 0.00000 0.00000 -0.00042 -0.00798 104 7D 0 0.10556 -0.30651 -0.17464 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.04452 0.14917 106 7D-1 0.19825 -0.16942 -0.33201 0.00000 0.00000 107 7D+2 0.25309 -0.03820 -0.12161 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.08406 -0.10668 109 5 C 1S -0.04144 0.01373 -0.01035 0.00000 0.00000 110 2S -0.07114 0.02432 -0.01703 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 -0.06142 0.08994 112 2PY -0.05929 0.01973 -0.02749 0.00000 0.00000 113 2PZ -0.02611 0.04644 0.04196 0.00000 0.00000 114 3S 0.12657 -0.10575 0.01055 0.00000 0.00000 115 3PX 0.00000 0.00000 0.00000 -0.22948 0.34581 116 3PY -0.10622 0.05395 0.07394 0.00000 0.00000 117 3PZ -0.00011 -0.02251 0.11700 0.00000 0.00000 118 4S 4.41783 1.41133 0.23155 0.00000 0.00000 119 4PX 0.00000 0.00000 0.00000 0.41121 -0.62860 120 4PY -1.96666 1.14783 0.70931 0.00000 0.00000 121 4PZ -1.42408 -2.12638 -0.97508 0.00000 0.00000 122 5S -1.81217 5.10971 5.58587 0.00000 0.00000 123 5PX 0.00000 0.00000 0.00000 0.42440 0.39669 124 5PY -2.24928 -2.35430 -0.59398 0.00000 0.00000 125 5PZ 0.82794 -0.08673 -1.03806 0.00000 0.00000 126 6D 0 -0.00820 -0.00470 -0.01096 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00233 -0.00429 128 6D-1 -0.00644 -0.00145 -0.01089 0.00000 0.00000 129 6D+2 0.01701 -0.00668 0.00427 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00247 -0.00551 131 7D 0 0.01174 0.16216 0.09508 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.02328 -0.13211 133 7D-1 0.14729 -0.16583 0.04751 0.00000 0.00000 134 7D+2 -0.03664 0.14573 0.10276 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 -0.17748 -0.12171 136 6 N 1S 0.03198 0.00000 0.00853 0.00000 0.00000 137 2S 0.05029 0.00000 0.01498 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00554 0.00000 139 2PY 0.00000 0.05791 0.00000 0.00000 0.00000 140 2PZ 0.10502 0.00000 0.03532 0.00000 0.00000 141 3S -0.05459 0.00000 -0.09435 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.02021 0.00000 143 3PY 0.00000 0.06989 0.00000 0.00000 0.00000 144 3PZ 0.15386 0.00000 0.02297 0.00000 0.00000 145 4S -2.29344 0.00000 1.33371 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 -0.34203 0.00000 147 4PY 0.00000 0.82343 0.00000 0.00000 0.00000 148 4PZ 1.41918 0.00000 -0.27824 0.00000 0.00000 149 5S -6.23198 0.00000 0.12452 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.48105 0.00000 151 5PY 0.00000 0.14805 0.00000 0.00000 0.00000 152 5PZ 0.81882 0.00000 -0.18110 0.00000 0.00000 153 6D 0 0.00217 0.00000 -0.00375 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00664 0.00000 155 6D-1 0.00000 0.00100 0.00000 0.00000 0.00000 156 6D+2 -0.00981 0.00000 -0.00715 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00113 158 7D 0 -0.08861 0.00000 -0.01600 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 -0.00522 0.00000 160 7D-1 0.00000 -0.05138 0.00000 0.00000 0.00000 161 7D+2 -0.00042 0.00000 -0.02407 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.04838 163 7 H 1S -0.08280 0.00777 -0.04964 0.00000 0.00000 164 2S -0.72623 0.16117 -0.56136 0.00000 0.00000 165 3S 2.68336 -0.21181 0.78890 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00070 -0.00734 167 4PY 0.03106 -0.01765 0.02678 0.00000 0.00000 168 4PZ 0.01334 -0.02260 -0.00581 0.00000 0.00000 169 8 H 1S 0.05621 -0.08821 -0.02704 0.00000 0.00000 170 2S 0.48549 -1.07308 -0.46977 0.00000 0.00000 171 3S -2.44401 1.98944 0.72751 0.00000 0.00000 172 4PX 0.00000 0.00000 0.00000 -0.01089 -0.00955 173 4PY -0.04392 0.03085 0.03565 0.00000 0.00000 174 4PZ 0.03264 -0.05118 -0.02757 0.00000 0.00000 175 9 H 1S -0.08850 0.00000 0.11402 0.00000 0.00000 176 2S -0.76133 0.00000 1.38980 0.00000 0.00000 177 3S 3.01591 0.00000 -2.90862 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00288 0.00000 179 4PY 0.00000 -0.02633 0.00000 0.00000 0.00000 180 4PZ -0.05159 0.00000 0.06930 0.00000 0.00000 181 10 H 1S 0.05621 0.08821 -0.02704 0.00000 0.00000 182 2S 0.48549 1.07308 -0.46977 0.00000 0.00000 183 3S -2.44401 -1.98944 0.72751 0.00000 0.00000 184 4PX 0.00000 0.00000 0.00000 -0.01089 0.00955 185 4PY 0.04392 0.03085 -0.03565 0.00000 0.00000 186 4PZ 0.03264 0.05118 -0.02757 0.00000 0.00000 187 11 H 1S -0.08280 -0.00777 -0.04964 0.00000 0.00000 188 2S -0.72623 -0.16117 -0.56136 0.00000 0.00000 189 3S 2.68336 0.21181 0.78890 0.00000 0.00000 190 4PX 0.00000 0.00000 0.00000 -0.00070 0.00734 191 4PY -0.03106 -0.01765 -0.02678 0.00000 0.00000 192 4PZ 0.01334 0.02260 -0.00581 0.00000 0.00000 66 67 68 69 70 (B2)--V (B1)--V (A1)--V (A2)--V (A1)--V Eigenvalues -- 0.54416 0.55862 0.56503 0.60007 0.60944 1 1 C 1S -0.00401 0.00000 0.00248 0.00000 -0.00828 2 2S -0.00702 0.00000 0.00030 0.00000 -0.01302 3 2PX 0.00000 -0.15053 0.00000 -0.12694 0.00000 4 2PY 0.07288 0.00000 -0.07923 0.00000 0.00806 5 2PZ 0.12036 0.00000 -0.10342 0.00000 -0.10863 6 3S -0.00477 0.00000 0.09976 0.00000 0.09930 7 3PX 0.00000 -0.54505 0.00000 -0.47282 0.00000 8 3PY 0.16482 0.00000 -0.14535 0.00000 0.05540 9 3PZ 0.34420 0.00000 -0.20324 0.00000 -0.06691 10 4S -0.54174 0.00000 -2.28179 0.00000 -3.83930 11 4PX 0.00000 1.38262 0.00000 1.39905 0.00000 12 4PY 2.38541 0.00000 0.24812 0.00000 0.80471 13 4PZ 3.68408 0.00000 2.64354 0.00000 3.57694 14 5S 10.52555 0.00000 -18.30024 0.00000 10.83322 15 5PX 0.00000 0.17448 0.00000 -1.32851 0.00000 16 5PY 2.53515 0.00000 0.31074 0.00000 -1.27069 17 5PZ 0.35005 0.00000 4.46448 0.00000 -2.08054 18 6D 0 0.00578 0.00000 0.01573 0.00000 -0.00028 19 6D+1 0.00000 0.00501 0.00000 0.00665 0.00000 20 6D-1 -0.01109 0.00000 0.01320 0.00000 -0.01141 21 6D+2 0.01245 0.00000 0.00288 0.00000 -0.00005 22 6D-2 0.00000 -0.00446 0.00000 -0.00650 0.00000 23 7D 0 -0.13227 0.00000 -0.24523 0.00000 -0.45213 24 7D+1 0.00000 0.05058 0.00000 -0.08809 0.00000 25 7D-1 0.12362 0.00000 -0.00781 0.00000 -0.04955 26 7D+2 0.01681 0.00000 -0.13089 0.00000 -0.11952 27 7D-2 0.00000 -0.08921 0.00000 -0.09205 0.00000 28 2 C 1S -0.00340 0.00000 -0.00821 0.00000 -0.00636 29 2S -0.00360 0.00000 -0.02105 0.00000 -0.01352 30 2PX 0.00000 0.00174 0.00000 0.11451 0.00000 31 2PY -0.06279 0.00000 0.01452 0.00000 0.05127 32 2PZ 0.04360 0.00000 0.02247 0.00000 -0.14820 33 3S -0.07485 0.00000 0.18687 0.00000 0.10948 34 3PX 0.00000 -0.00309 0.00000 0.41443 0.00000 35 3PY -0.22319 0.00000 0.19815 0.00000 0.03340 36 3PZ 0.05453 0.00000 0.15779 0.00000 -0.10882 37 4S 0.26311 0.00000 4.76294 0.00000 1.05664 38 4PX 0.00000 -0.14338 0.00000 -1.33848 0.00000 39 4PY -2.03539 0.00000 1.61653 0.00000 -2.07275 40 4PZ 4.36291 0.00000 0.76319 0.00000 4.57955 41 5S -2.96805 0.00000 21.74019 0.00000 -7.27334 42 5PX 0.00000 -0.85360 0.00000 1.24929 0.00000 43 5PY -0.52578 0.00000 0.97288 0.00000 1.74964 44 5PZ -1.66160 0.00000 6.01890 0.00000 -5.00144 45 6D 0 -0.01484 0.00000 0.01428 0.00000 -0.00220 46 6D+1 0.00000 0.00244 0.00000 0.00458 0.00000 47 6D-1 -0.01010 0.00000 -0.00767 0.00000 -0.00852 48 6D+2 0.00178 0.00000 -0.00398 0.00000 -0.00146 49 6D-2 0.00000 0.00108 0.00000 0.00538 0.00000 50 7D 0 0.04297 0.00000 0.24533 0.00000 0.51435 51 7D+1 0.00000 -0.14241 0.00000 -0.07380 0.00000 52 7D-1 0.17572 0.00000 -0.32504 0.00000 0.14807 53 7D+2 0.12374 0.00000 -0.18703 0.00000 0.24960 54 7D-2 0.00000 0.02868 0.00000 0.03248 0.00000 55 3 C 1S 0.00000 0.00000 -0.02704 0.00000 0.00045 56 2S 0.00000 0.00000 -0.05375 0.00000 -0.00302 57 2PX 0.00000 0.08163 0.00000 0.00000 0.00000 58 2PY -0.03010 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.11494 0.00000 -0.11570 60 3S 0.00000 0.00000 0.46963 0.00000 0.00674 61 3PX 0.00000 0.31503 0.00000 0.00000 0.00000 62 3PY -0.12620 0.00000 0.00000 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.24873 0.00000 -0.12724 64 4S 0.00000 0.00000 -5.33729 0.00000 6.12035 65 4PX 0.00000 -0.73217 0.00000 0.00000 0.00000 66 4PY -4.91405 0.00000 0.00000 0.00000 0.00000 67 4PZ 0.00000 0.00000 -3.01744 0.00000 2.55718 68 5S 0.00000 0.00000 -7.27923 0.00000 -6.21178 69 5PX 0.00000 1.46609 0.00000 0.00000 0.00000 70 5PY 1.66558 0.00000 0.00000 0.00000 0.00000 71 5PZ 0.00000 0.00000 -3.59630 0.00000 2.26119 72 6D 0 0.00000 0.00000 -0.00614 0.00000 -0.01661 73 6D+1 0.00000 0.00553 0.00000 0.00000 0.00000 74 6D-1 0.01610 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.00000 -0.01628 0.00000 -0.01085 76 6D-2 0.00000 0.00000 0.00000 0.00094 0.00000 77 7D 0 0.00000 0.00000 0.27877 0.00000 -0.16544 78 7D+1 0.00000 0.11585 0.00000 0.00000 0.00000 79 7D-1 -0.13307 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00000 0.00000 0.18626 0.00000 -0.37490 81 7D-2 0.00000 0.00000 0.00000 -0.11539 0.00000 82 4 C 1S 0.00340 0.00000 -0.00821 0.00000 -0.00636 83 2S 0.00360 0.00000 -0.02105 0.00000 -0.01352 84 2PX 0.00000 0.00174 0.00000 -0.11451 0.00000 85 2PY -0.06279 0.00000 -0.01452 0.00000 -0.05127 86 2PZ -0.04360 0.00000 0.02247 0.00000 -0.14820 87 3S 0.07485 0.00000 0.18687 0.00000 0.10948 88 3PX 0.00000 -0.00309 0.00000 -0.41443 0.00000 89 3PY -0.22319 0.00000 -0.19815 0.00000 -0.03340 90 3PZ -0.05453 0.00000 0.15779 0.00000 -0.10882 91 4S -0.26311 0.00000 4.76294 0.00000 1.05664 92 4PX 0.00000 -0.14338 0.00000 1.33848 0.00000 93 4PY -2.03539 0.00000 -1.61653 0.00000 2.07275 94 4PZ -4.36291 0.00000 0.76319 0.00000 4.57955 95 5S 2.96805 0.00000 21.74019 0.00000 -7.27334 96 5PX 0.00000 -0.85360 0.00000 -1.24929 0.00000 97 5PY -0.52578 0.00000 -0.97288 0.00000 -1.74964 98 5PZ 1.66160 0.00000 6.01890 0.00000 -5.00144 99 6D 0 0.01484 0.00000 0.01428 0.00000 -0.00220 100 6D+1 0.00000 0.00244 0.00000 -0.00458 0.00000 101 6D-1 -0.01010 0.00000 0.00767 0.00000 0.00852 102 6D+2 -0.00178 0.00000 -0.00398 0.00000 -0.00146 103 6D-2 0.00000 -0.00108 0.00000 0.00538 0.00000 104 7D 0 -0.04297 0.00000 0.24533 0.00000 0.51435 105 7D+1 0.00000 -0.14241 0.00000 0.07380 0.00000 106 7D-1 0.17572 0.00000 0.32504 0.00000 -0.14807 107 7D+2 -0.12374 0.00000 -0.18703 0.00000 0.24960 108 7D-2 0.00000 -0.02868 0.00000 0.03248 0.00000 109 5 C 1S 0.00401 0.00000 0.00248 0.00000 -0.00828 110 2S 0.00702 0.00000 0.00030 0.00000 -0.01302 111 2PX 0.00000 -0.15053 0.00000 0.12694 0.00000 112 2PY 0.07288 0.00000 0.07923 0.00000 -0.00806 113 2PZ -0.12036 0.00000 -0.10342 0.00000 -0.10863 114 3S 0.00477 0.00000 0.09976 0.00000 0.09930 115 3PX 0.00000 -0.54505 0.00000 0.47282 0.00000 116 3PY 0.16482 0.00000 0.14535 0.00000 -0.05540 117 3PZ -0.34420 0.00000 -0.20324 0.00000 -0.06691 118 4S 0.54174 0.00000 -2.28179 0.00000 -3.83930 119 4PX 0.00000 1.38262 0.00000 -1.39905 0.00000 120 4PY 2.38541 0.00000 -0.24812 0.00000 -0.80471 121 4PZ -3.68408 0.00000 2.64354 0.00000 3.57694 122 5S -10.52555 0.00000 -18.30024 0.00000 10.83322 123 5PX 0.00000 0.17448 0.00000 1.32851 0.00000 124 5PY 2.53515 0.00000 -0.31074 0.00000 1.27069 125 5PZ -0.35005 0.00000 4.46448 0.00000 -2.08054 126 6D 0 -0.00578 0.00000 0.01573 0.00000 -0.00028 127 6D+1 0.00000 0.00501 0.00000 -0.00665 0.00000 128 6D-1 -0.01109 0.00000 -0.01320 0.00000 0.01141 129 6D+2 -0.01245 0.00000 0.00288 0.00000 -0.00005 130 6D-2 0.00000 0.00446 0.00000 -0.00650 0.00000 131 7D 0 0.13227 0.00000 -0.24523 0.00000 -0.45213 132 7D+1 0.00000 0.05058 0.00000 0.08809 0.00000 133 7D-1 0.12362 0.00000 0.00781 0.00000 0.04955 134 7D+2 -0.01681 0.00000 -0.13089 0.00000 -0.11952 135 7D-2 0.00000 0.08921 0.00000 -0.09205 0.00000 136 6 N 1S 0.00000 0.00000 -0.01842 0.00000 0.00716 137 2S 0.00000 0.00000 -0.03350 0.00000 0.01289 138 2PX 0.00000 0.02744 0.00000 0.00000 0.00000 139 2PY 0.17598 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00000 -0.12077 0.00000 0.00026 141 3S 0.00000 0.00000 0.18126 0.00000 -0.04834 142 3PX 0.00000 0.08497 0.00000 0.00000 0.00000 143 3PY 0.26597 0.00000 0.00000 0.00000 0.00000 144 3PZ 0.00000 0.00000 -0.13725 0.00000 0.01970 145 4S 0.00000 0.00000 -1.37716 0.00000 -1.22357 146 4PX 0.00000 -0.39660 0.00000 0.00000 0.00000 147 4PY 2.57100 0.00000 0.00000 0.00000 0.00000 148 4PZ 0.00000 0.00000 -0.13879 0.00000 0.17712 149 5S 0.00000 0.00000 1.47442 0.00000 -2.07538 150 5PX 0.00000 -0.82869 0.00000 0.00000 0.00000 151 5PY 4.78919 0.00000 0.00000 0.00000 0.00000 152 5PZ 0.00000 0.00000 -1.42234 0.00000 0.21715 153 6D 0 0.00000 0.00000 -0.00174 0.00000 0.01075 154 6D+1 0.00000 -0.00143 0.00000 0.00000 0.00000 155 6D-1 0.01410 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00768 0.00000 0.00932 157 6D-2 0.00000 0.00000 0.00000 0.00210 0.00000 158 7D 0 0.00000 0.00000 -0.07690 0.00000 0.02189 159 7D+1 0.00000 0.09052 0.00000 0.00000 0.00000 160 7D-1 -0.09227 0.00000 0.00000 0.00000 0.00000 161 7D+2 0.00000 0.00000 0.06199 0.00000 -0.02058 162 7D-2 0.00000 0.00000 0.00000 0.04253 0.00000 163 7 H 1S 0.01056 0.00000 -0.02226 0.00000 0.01957 164 2S 0.11219 0.00000 -0.46645 0.00000 0.24718 165 3S -1.06176 0.00000 0.44493 0.00000 -1.21038 166 4PX 0.00000 0.01386 0.00000 -0.02195 0.00000 167 4PY 0.02370 0.00000 0.00567 0.00000 -0.00504 168 4PZ -0.03049 0.00000 0.02565 0.00000 0.02034 169 8 H 1S 0.03697 0.00000 0.01233 0.00000 -0.00991 170 2S 0.41495 0.00000 0.33966 0.00000 0.01207 171 3S -0.87596 0.00000 -0.15138 0.00000 0.69270 172 4PX 0.00000 -0.00677 0.00000 0.01756 0.00000 173 4PY -0.02893 0.00000 -0.02656 0.00000 -0.00576 174 4PZ -0.02876 0.00000 -0.00412 0.00000 0.04041 175 9 H 1S 0.00000 0.00000 0.01309 0.00000 -0.03425 176 2S 0.00000 0.00000 -0.19164 0.00000 -0.16903 177 3S 0.00000 0.00000 -1.02748 0.00000 2.29989 178 4PX 0.00000 -0.00412 0.00000 0.00000 0.00000 179 4PY -0.02451 0.00000 0.00000 0.00000 0.00000 180 4PZ 0.00000 0.00000 -0.02437 0.00000 0.03197 181 10 H 1S -0.03697 0.00000 0.01233 0.00000 -0.00991 182 2S -0.41495 0.00000 0.33966 0.00000 0.01207 183 3S 0.87596 0.00000 -0.15138 0.00000 0.69270 184 4PX 0.00000 -0.00677 0.00000 -0.01756 0.00000 185 4PY -0.02893 0.00000 0.02656 0.00000 0.00576 186 4PZ 0.02876 0.00000 -0.00412 0.00000 0.04041 187 11 H 1S -0.01056 0.00000 -0.02226 0.00000 0.01957 188 2S -0.11219 0.00000 -0.46645 0.00000 0.24718 189 3S 1.06176 0.00000 0.44493 0.00000 -1.21038 190 4PX 0.00000 0.01386 0.00000 0.02195 0.00000 191 4PY 0.02370 0.00000 -0.00567 0.00000 0.00504 192 4PZ 0.03049 0.00000 0.02565 0.00000 0.02034 71 72 73 74 75 (B2)--V (B1)--V (A1)--V (B2)--V (A2)--V Eigenvalues -- 0.61224 0.61887 0.62333 0.63334 0.64986 1 1 C 1S 0.01563 0.00000 0.01404 0.00835 0.00000 2 2S 0.02699 0.00000 0.02421 0.01836 0.00000 3 2PX 0.00000 -0.05142 0.00000 0.00000 -0.01262 4 2PY 0.13232 0.00000 0.12469 -0.05150 0.00000 5 2PZ 0.01214 0.00000 -0.00353 0.11627 0.00000 6 3S 0.01663 0.00000 -0.10600 -0.29353 0.00000 7 3PX 0.00000 -0.16506 0.00000 0.00000 -0.06413 8 3PY 0.42892 0.00000 0.19320 -0.25782 0.00000 9 3PZ -0.04703 0.00000 -0.16435 0.18755 0.00000 10 4S -2.76894 0.00000 -1.63383 3.92232 0.00000 11 4PX 0.00000 0.86104 0.00000 0.00000 -0.12558 12 4PY -2.49637 0.00000 -2.46522 1.01412 0.00000 13 4PZ -0.84255 0.00000 0.47192 -3.12355 0.00000 14 5S 8.97347 0.00000 -9.67594 1.17042 0.00000 15 5PX 0.00000 -0.68850 0.00000 0.00000 0.02780 16 5PY -9.35904 0.00000 -1.17535 1.12248 0.00000 17 5PZ -7.27197 0.00000 3.22475 0.42943 0.00000 18 6D 0 -0.01221 0.00000 0.00843 -0.00067 0.00000 19 6D+1 0.00000 0.00378 0.00000 0.00000 -0.01361 20 6D-1 -0.01063 0.00000 0.00269 0.00699 0.00000 21 6D+2 -0.02273 0.00000 -0.00547 0.01030 0.00000 22 6D-2 0.00000 -0.00273 0.00000 0.00000 -0.00556 23 7D 0 0.00705 0.00000 0.03220 0.27196 0.00000 24 7D+1 0.00000 -0.11639 0.00000 0.00000 -0.32003 25 7D-1 -0.05779 0.00000 -0.62085 -0.31533 0.00000 26 7D+2 0.16271 0.00000 -0.04583 -0.08186 0.00000 27 7D-2 0.00000 -0.00137 0.00000 0.00000 -0.20214 28 2 C 1S 0.00573 0.00000 0.00444 -0.00488 0.00000 29 2S 0.01245 0.00000 0.00590 -0.00750 0.00000 30 2PX 0.00000 0.13678 0.00000 0.00000 0.00271 31 2PY 0.02767 0.00000 0.06832 0.14071 0.00000 32 2PZ -0.00426 0.00000 0.05351 0.06991 0.00000 33 3S -0.11746 0.00000 -0.03871 0.17501 0.00000 34 3PX 0.00000 0.49194 0.00000 0.00000 -0.00020 35 3PY -0.00636 0.00000 0.16199 0.26833 0.00000 36 3PZ -0.04774 0.00000 0.10449 0.15830 0.00000 37 4S -1.74891 0.00000 0.73842 -7.40732 0.00000 38 4PX 0.00000 -1.90703 0.00000 0.00000 0.07576 39 4PY -1.17274 0.00000 -1.38694 -3.51495 0.00000 40 4PZ 1.33025 0.00000 -0.10849 -1.48408 0.00000 41 5S 13.59740 0.00000 12.16127 13.66120 0.00000 42 5PX 0.00000 1.77113 0.00000 0.00000 -0.02755 43 5PY 9.57603 0.00000 0.84972 0.61249 0.00000 44 5PZ -16.25197 0.00000 1.02851 -4.22034 0.00000 45 6D 0 -0.00949 0.00000 0.00323 -0.00904 0.00000 46 6D+1 0.00000 0.00497 0.00000 0.00000 0.01640 47 6D-1 -0.00292 0.00000 -0.00312 0.01585 0.00000 48 6D+2 -0.00086 0.00000 -0.00645 -0.01151 0.00000 49 6D-2 0.00000 0.00999 0.00000 0.00000 -0.01088 50 7D 0 -0.06785 0.00000 0.03604 -0.25144 0.00000 51 7D+1 0.00000 -0.01431 0.00000 0.00000 0.28346 52 7D-1 0.37548 0.00000 0.12464 0.01146 0.00000 53 7D+2 -0.04028 0.00000 -0.10777 0.26444 0.00000 54 7D-2 0.00000 -0.14257 0.00000 0.00000 -0.16776 55 3 C 1S 0.00000 0.00000 0.00507 0.00000 0.00000 56 2S 0.00000 0.00000 0.00773 0.00000 0.00000 57 2PX 0.00000 -0.15264 0.00000 0.00000 0.00000 58 2PY 0.04053 0.00000 0.00000 0.12907 0.00000 59 2PZ 0.00000 0.00000 -0.01004 0.00000 0.00000 60 3S 0.00000 0.00000 -0.16379 0.00000 0.00000 61 3PX 0.00000 -0.53499 0.00000 0.00000 0.00000 62 3PY -0.07062 0.00000 0.00000 0.12854 0.00000 63 3PZ 0.00000 0.00000 -0.05706 0.00000 0.00000 64 4S 0.00000 0.00000 2.55744 0.00000 0.00000 65 4PX 0.00000 2.23366 0.00000 0.00000 0.00000 66 4PY -2.96858 0.00000 0.00000 -4.52709 0.00000 67 4PZ 0.00000 0.00000 -0.17477 0.00000 0.00000 68 5S 0.00000 0.00000 -7.22691 0.00000 0.00000 69 5PX 0.00000 -2.19439 0.00000 0.00000 0.00000 70 5PY 21.69870 0.00000 0.00000 10.08304 0.00000 71 5PZ 0.00000 0.00000 -0.72318 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.01418 0.00000 0.00000 73 6D+1 0.00000 -0.01396 0.00000 0.00000 0.00000 74 6D-1 0.00708 0.00000 0.00000 0.00209 0.00000 75 6D+2 0.00000 0.00000 -0.01078 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.01926 77 7D 0 0.00000 0.00000 0.54755 0.00000 0.00000 78 7D+1 0.00000 0.09555 0.00000 0.00000 0.00000 79 7D-1 -0.20405 0.00000 0.00000 -0.61494 0.00000 80 7D+2 0.00000 0.00000 0.04241 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.39918 82 4 C 1S -0.00573 0.00000 0.00444 0.00488 0.00000 83 2S -0.01245 0.00000 0.00590 0.00750 0.00000 84 2PX 0.00000 0.13678 0.00000 0.00000 -0.00271 85 2PY 0.02767 0.00000 -0.06832 0.14071 0.00000 86 2PZ 0.00426 0.00000 0.05351 -0.06991 0.00000 87 3S 0.11746 0.00000 -0.03871 -0.17501 0.00000 88 3PX 0.00000 0.49194 0.00000 0.00000 0.00020 89 3PY -0.00636 0.00000 -0.16199 0.26833 0.00000 90 3PZ 0.04774 0.00000 0.10449 -0.15830 0.00000 91 4S 1.74891 0.00000 0.73842 7.40732 0.00000 92 4PX 0.00000 -1.90703 0.00000 0.00000 -0.07576 93 4PY -1.17274 0.00000 1.38694 -3.51495 0.00000 94 4PZ -1.33025 0.00000 -0.10849 1.48408 0.00000 95 5S -13.59740 0.00000 12.16127 -13.66120 0.00000 96 5PX 0.00000 1.77113 0.00000 0.00000 0.02755 97 5PY 9.57603 0.00000 -0.84972 0.61249 0.00000 98 5PZ 16.25197 0.00000 1.02851 4.22034 0.00000 99 6D 0 0.00949 0.00000 0.00323 0.00904 0.00000 100 6D+1 0.00000 0.00497 0.00000 0.00000 -0.01640 101 6D-1 -0.00292 0.00000 0.00312 0.01585 0.00000 102 6D+2 0.00086 0.00000 -0.00645 0.01151 0.00000 103 6D-2 0.00000 -0.00999 0.00000 0.00000 -0.01088 104 7D 0 0.06785 0.00000 0.03604 0.25144 0.00000 105 7D+1 0.00000 -0.01431 0.00000 0.00000 -0.28346 106 7D-1 0.37548 0.00000 -0.12464 0.01146 0.00000 107 7D+2 0.04028 0.00000 -0.10777 -0.26444 0.00000 108 7D-2 0.00000 0.14257 0.00000 0.00000 -0.16776 109 5 C 1S -0.01563 0.00000 0.01404 -0.00835 0.00000 110 2S -0.02699 0.00000 0.02421 -0.01836 0.00000 111 2PX 0.00000 -0.05142 0.00000 0.00000 0.01262 112 2PY 0.13232 0.00000 -0.12469 -0.05150 0.00000 113 2PZ -0.01214 0.00000 -0.00353 -0.11627 0.00000 114 3S -0.01663 0.00000 -0.10600 0.29353 0.00000 115 3PX 0.00000 -0.16506 0.00000 0.00000 0.06413 116 3PY 0.42892 0.00000 -0.19320 -0.25782 0.00000 117 3PZ 0.04703 0.00000 -0.16435 -0.18755 0.00000 118 4S 2.76894 0.00000 -1.63383 -3.92232 0.00000 119 4PX 0.00000 0.86104 0.00000 0.00000 0.12558 120 4PY -2.49637 0.00000 2.46522 1.01412 0.00000 121 4PZ 0.84255 0.00000 0.47192 3.12355 0.00000 122 5S -8.97347 0.00000 -9.67594 -1.17042 0.00000 123 5PX 0.00000 -0.68850 0.00000 0.00000 -0.02780 124 5PY -9.35904 0.00000 1.17535 1.12248 0.00000 125 5PZ 7.27197 0.00000 3.22475 -0.42943 0.00000 126 6D 0 0.01221 0.00000 0.00843 0.00067 0.00000 127 6D+1 0.00000 0.00378 0.00000 0.00000 0.01361 128 6D-1 -0.01063 0.00000 -0.00269 0.00699 0.00000 129 6D+2 0.02273 0.00000 -0.00547 -0.01030 0.00000 130 6D-2 0.00000 0.00273 0.00000 0.00000 -0.00556 131 7D 0 -0.00705 0.00000 0.03220 -0.27196 0.00000 132 7D+1 0.00000 -0.11639 0.00000 0.00000 0.32003 133 7D-1 -0.05779 0.00000 0.62085 -0.31533 0.00000 134 7D+2 -0.16271 0.00000 -0.04583 0.08186 0.00000 135 7D-2 0.00000 0.00137 0.00000 0.00000 -0.20214 136 6 N 1S 0.00000 0.00000 0.01314 0.00000 0.00000 137 2S 0.00000 0.00000 0.02404 0.00000 0.00000 138 2PX 0.00000 -0.01560 0.00000 0.00000 0.00000 139 2PY 0.02662 0.00000 0.00000 0.01464 0.00000 140 2PZ 0.00000 0.00000 0.03713 0.00000 0.00000 141 3S 0.00000 0.00000 -0.19632 0.00000 0.00000 142 3PX 0.00000 -0.03364 0.00000 0.00000 0.00000 143 3PY 0.00713 0.00000 0.00000 -0.00457 0.00000 144 3PZ 0.00000 0.00000 0.04451 0.00000 0.00000 145 4S 0.00000 0.00000 3.14734 0.00000 0.00000 146 4PX 0.00000 -0.15786 0.00000 0.00000 0.00000 147 4PY -1.36080 0.00000 0.00000 -0.37883 0.00000 148 4PZ 0.00000 0.00000 -1.33511 0.00000 0.00000 149 5S 0.00000 0.00000 7.41880 0.00000 0.00000 150 5PX 0.00000 -0.00064 0.00000 0.00000 0.00000 151 5PY -7.12425 0.00000 0.00000 -0.29126 0.00000 152 5PZ 0.00000 0.00000 -3.11157 0.00000 0.00000 153 6D 0 0.00000 0.00000 -0.00138 0.00000 0.00000 154 6D+1 0.00000 -0.00135 0.00000 0.00000 0.00000 155 6D-1 0.00716 0.00000 0.00000 -0.00452 0.00000 156 6D+2 0.00000 0.00000 -0.00140 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.01960 158 7D 0 0.00000 0.00000 -0.00100 0.00000 0.00000 159 7D+1 0.00000 0.07034 0.00000 0.00000 0.00000 160 7D-1 0.16823 0.00000 0.00000 -0.00705 0.00000 161 7D+2 0.00000 0.00000 -0.15729 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.04647 163 7 H 1S -0.08306 0.00000 0.03743 0.05200 0.00000 164 2S -0.96322 0.00000 -0.49327 0.66031 0.00000 165 3S 4.16990 0.00000 -2.01510 -1.79666 0.00000 166 4PX 0.00000 0.01689 0.00000 0.00000 0.01281 167 4PY 0.01094 0.00000 0.08731 -0.04706 0.00000 168 4PZ 0.02112 0.00000 0.03938 -0.00602 0.00000 169 8 H 1S 0.00290 0.00000 0.02105 -0.06082 0.00000 170 2S 0.27385 0.00000 -0.35286 -0.62601 0.00000 171 3S 0.38869 0.00000 -1.68574 3.05713 0.00000 172 4PX 0.00000 -0.03232 0.00000 0.00000 -0.00913 173 4PY -0.05744 0.00000 0.05361 0.01385 0.00000 174 4PZ -0.00355 0.00000 -0.01908 0.00317 0.00000 175 9 H 1S 0.00000 0.00000 -0.03615 0.00000 0.00000 176 2S 0.00000 0.00000 -1.21688 0.00000 0.00000 177 3S 0.00000 0.00000 0.21609 0.00000 0.00000 178 4PX 0.00000 0.04503 0.00000 0.00000 0.00000 179 4PY -0.01052 0.00000 0.00000 -0.04445 0.00000 180 4PZ 0.00000 0.00000 -0.09495 0.00000 0.00000 181 10 H 1S -0.00290 0.00000 0.02105 0.06082 0.00000 182 2S -0.27385 0.00000 -0.35286 0.62601 0.00000 183 3S -0.38869 0.00000 -1.68574 -3.05713 0.00000 184 4PX 0.00000 -0.03232 0.00000 0.00000 0.00913 185 4PY -0.05744 0.00000 -0.05361 0.01385 0.00000 186 4PZ 0.00355 0.00000 -0.01908 -0.00317 0.00000 187 11 H 1S 0.08306 0.00000 0.03743 -0.05200 0.00000 188 2S 0.96322 0.00000 -0.49327 -0.66031 0.00000 189 3S -4.16990 0.00000 -2.01510 1.79666 0.00000 190 4PX 0.00000 0.01689 0.00000 0.00000 -0.01281 191 4PY 0.01094 0.00000 -0.08731 -0.04706 0.00000 192 4PZ -0.02112 0.00000 0.03938 0.00602 0.00000 76 77 78 79 80 (A1)--V (B2)--V (A1)--V (A1)--V (A2)--V Eigenvalues -- 0.68447 0.72363 0.73087 0.75781 0.76926 1 1 C 1S -0.00253 -0.01812 -0.01121 0.00182 0.00000 2 2S -0.00320 -0.03155 -0.02147 0.00215 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 -0.05967 4 2PY 0.03630 -0.01319 0.15032 0.01538 0.00000 5 2PZ -0.08856 -0.12035 0.01824 -0.03838 0.00000 6 3S -0.04451 0.18119 0.18425 0.08050 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 -0.23642 8 3PY 0.06742 -0.10184 0.29344 0.05864 0.00000 9 3PZ -0.07355 -0.13336 -0.10566 -0.01861 0.00000 10 4S -2.44658 -4.47348 -1.43178 -4.34118 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 0.39336 12 4PY -1.28033 0.11743 -2.47765 -5.24676 0.00000 13 4PZ 2.94125 4.64890 -1.45555 0.88495 0.00000 14 5S 1.00953 15.83830 -10.80901 -10.89828 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 -0.10569 16 5PY 0.22566 1.38535 -2.27267 -1.52403 0.00000 17 5PZ 0.02777 -1.12520 2.21015 2.45779 0.00000 18 6D 0 -0.00462 0.00385 0.00090 0.00162 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.01172 20 6D-1 -0.00505 -0.00526 -0.00166 0.01296 0.00000 21 6D+2 0.00218 0.00676 -0.00116 -0.00652 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.01073 23 7D 0 -0.40362 -0.37331 0.44113 -0.08731 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.16747 25 7D-1 -0.00258 -0.12032 0.17297 -0.43194 0.00000 26 7D+2 -0.16279 -0.09412 0.26715 0.10540 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.35663 28 2 C 1S 0.02900 -0.01298 -0.02927 -0.00841 0.00000 29 2S 0.05485 -0.02384 -0.05467 -0.01359 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.06298 31 2PY -0.14192 0.07481 -0.12101 0.06658 0.00000 32 2PZ -0.09554 -0.17417 0.01005 0.00121 0.00000 33 3S -0.50333 0.10491 0.35422 0.07107 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 -0.23815 35 3PY -0.34893 -0.04865 -0.32777 0.08298 0.00000 36 3PZ -0.16680 -0.09373 -0.14826 0.10820 0.00000 37 4S 8.28263 0.44283 -1.41246 3.01012 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 0.46925 39 4PY 4.41584 -2.70786 2.92910 4.87187 0.00000 40 4PZ 2.30115 5.65535 -0.49500 0.82234 0.00000 41 5S -2.49753 4.99354 15.06094 15.84556 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 -0.10207 43 5PY -0.16010 2.77176 3.37632 2.31751 0.00000 44 5PZ 1.60080 -6.07008 2.01530 1.72007 0.00000 45 6D 0 0.00399 0.00491 0.00409 0.00086 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.01138 47 6D-1 -0.00791 0.00438 -0.00995 0.00946 0.00000 48 6D+2 0.00337 0.00455 0.00251 0.00482 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.01115 50 7D 0 -0.03573 0.57404 -0.19603 0.28774 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.12317 52 7D-1 0.23710 0.42861 0.00580 -0.34661 0.00000 53 7D+2 -0.34739 0.20128 -0.37070 0.26295 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.47557 55 3 C 1S 0.01348 0.00000 -0.05098 0.02108 0.00000 56 2S 0.02537 0.00000 -0.09531 0.03982 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.21842 0.00000 0.00000 0.00000 59 2PZ 0.18852 0.00000 0.05421 -0.04889 0.00000 60 3S -0.04815 0.00000 0.64567 -0.18667 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.15309 0.00000 0.00000 0.00000 63 3PZ 0.45061 0.00000 0.00910 -0.18830 0.00000 64 4S -7.12474 0.00000 -5.47160 -7.16941 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 -6.39669 0.00000 0.00000 0.00000 67 4PZ -6.36293 0.00000 -1.58576 -1.83871 0.00000 68 5S 4.42015 0.00000 -12.53359 -13.42834 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 8.65332 0.00000 0.00000 0.00000 71 5PZ -1.91384 0.00000 -2.25567 -2.45936 0.00000 72 6D 0 0.01788 0.00000 0.00169 -0.00456 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 -0.00219 0.00000 0.00000 0.00000 75 6D+2 0.00714 0.00000 0.00892 0.00271 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.01168 77 7D 0 -0.33674 0.00000 -0.45240 0.13567 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.72275 0.00000 0.00000 0.00000 80 7D+2 0.30282 0.00000 -0.32233 0.29805 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.18634 82 4 C 1S 0.02900 0.01298 -0.02927 -0.00841 0.00000 83 2S 0.05485 0.02384 -0.05467 -0.01359 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 0.06298 85 2PY 0.14192 0.07481 0.12101 -0.06658 0.00000 86 2PZ -0.09554 0.17417 0.01005 0.00121 0.00000 87 3S -0.50333 -0.10491 0.35422 0.07107 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 0.23815 89 3PY 0.34893 -0.04865 0.32777 -0.08298 0.00000 90 3PZ -0.16680 0.09373 -0.14826 0.10820 0.00000 91 4S 8.28263 -0.44283 -1.41246 3.01012 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 -0.46925 93 4PY -4.41584 -2.70786 -2.92910 -4.87187 0.00000 94 4PZ 2.30115 -5.65535 -0.49500 0.82234 0.00000 95 5S -2.49753 -4.99354 15.06094 15.84556 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 0.10207 97 5PY 0.16010 2.77176 -3.37632 -2.31751 0.00000 98 5PZ 1.60080 6.07008 2.01530 1.72007 0.00000 99 6D 0 0.00399 -0.00491 0.00409 0.00086 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.01138 101 6D-1 0.00791 0.00438 0.00995 -0.00946 0.00000 102 6D+2 0.00337 -0.00455 0.00251 0.00482 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.01115 104 7D 0 -0.03573 -0.57404 -0.19603 0.28774 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.12317 106 7D-1 -0.23710 0.42861 -0.00580 0.34661 0.00000 107 7D+2 -0.34739 -0.20128 -0.37070 0.26295 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.47557 109 5 C 1S -0.00253 0.01812 -0.01121 0.00182 0.00000 110 2S -0.00320 0.03155 -0.02147 0.00215 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.05967 112 2PY -0.03630 -0.01319 -0.15032 -0.01538 0.00000 113 2PZ -0.08856 0.12035 0.01824 -0.03838 0.00000 114 3S -0.04451 -0.18119 0.18425 0.08050 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.23642 116 3PY -0.06742 -0.10184 -0.29344 -0.05864 0.00000 117 3PZ -0.07355 0.13336 -0.10566 -0.01861 0.00000 118 4S -2.44658 4.47348 -1.43178 -4.34118 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 -0.39336 120 4PY 1.28033 0.11743 2.47765 5.24676 0.00000 121 4PZ 2.94125 -4.64890 -1.45555 0.88495 0.00000 122 5S 1.00953 -15.83830 -10.80901 -10.89828 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 0.10569 124 5PY -0.22566 1.38535 2.27267 1.52403 0.00000 125 5PZ 0.02777 1.12520 2.21015 2.45779 0.00000 126 6D 0 -0.00462 -0.00385 0.00090 0.00162 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.01172 128 6D-1 0.00505 -0.00526 0.00166 -0.01296 0.00000 129 6D+2 0.00218 -0.00676 -0.00116 -0.00652 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.01073 131 7D 0 -0.40362 0.37331 0.44113 -0.08731 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.16747 133 7D-1 0.00258 -0.12032 -0.17297 0.43194 0.00000 134 7D+2 -0.16279 0.09412 0.26715 0.10540 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.35663 136 6 N 1S 0.00638 0.00000 0.01692 -0.03208 0.00000 137 2S 0.01280 0.00000 0.03278 -0.05525 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.03703 0.00000 0.00000 0.00000 140 2PZ 0.03668 0.00000 0.09059 -0.05125 0.00000 141 3S -0.09057 0.00000 -0.25378 0.14159 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.09048 0.00000 0.00000 0.00000 144 3PZ 0.06308 0.00000 0.12527 -0.09585 0.00000 145 4S 0.33440 0.00000 3.00108 6.05716 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 -0.08240 0.00000 0.00000 0.00000 148 4PZ -0.02148 0.00000 -1.32325 -2.28535 0.00000 149 5S -2.74440 0.00000 8.56339 8.36865 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 5.01184 0.00000 0.00000 0.00000 152 5PZ 0.00888 0.00000 -1.28975 -1.82922 0.00000 153 6D 0 0.01054 0.00000 -0.01274 -0.00443 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.01490 0.00000 0.00000 0.00000 156 6D+2 0.00096 0.00000 -0.01382 -0.00538 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00608 158 7D 0 0.09075 0.00000 0.12847 -0.00955 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 -0.01079 0.00000 0.00000 0.00000 161 7D+2 -0.00057 0.00000 -0.04357 -0.16450 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.09999 163 7 H 1S 0.00689 0.03087 0.04098 -0.00300 0.00000 164 2S -0.53105 0.60317 0.61336 -1.23343 0.00000 165 3S -1.21141 -0.07436 -1.47770 -1.74123 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.06611 167 4PY 0.02346 -0.01367 -0.00732 0.06370 0.00000 168 4PZ 0.05225 -0.02369 -0.02633 0.02589 0.00000 169 8 H 1S -0.03989 0.02722 -0.04321 0.04589 0.00000 170 2S -0.43635 0.34749 0.06161 1.95676 0.00000 171 3S 2.50254 -0.22269 1.94399 0.60772 0.00000 172 4PX 0.00000 0.00000 0.00000 0.00000 0.07653 173 4PY 0.02869 -0.00355 -0.03368 -0.06364 0.00000 174 4PZ -0.02879 -0.00799 0.00845 0.02153 0.00000 175 9 H 1S 0.07174 0.00000 -0.01482 0.02345 0.00000 176 2S 0.13608 0.00000 0.36119 0.13625 0.00000 177 3S -3.84325 0.00000 -0.14390 0.11508 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 -0.01586 0.00000 0.00000 0.00000 180 4PZ -0.01720 0.00000 0.07646 -0.02203 0.00000 181 10 H 1S -0.03989 -0.02722 -0.04321 0.04589 0.00000 182 2S -0.43635 -0.34749 0.06161 1.95676 0.00000 183 3S 2.50254 0.22269 1.94399 0.60772 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 -0.07653 185 4PY -0.02869 -0.00355 0.03368 0.06364 0.00000 186 4PZ -0.02879 0.00799 0.00845 0.02153 0.00000 187 11 H 1S 0.00689 -0.03087 0.04098 -0.00300 0.00000 188 2S -0.53105 -0.60317 0.61336 -1.23343 0.00000 189 3S -1.21141 0.07436 -1.47770 -1.74123 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 -0.06611 191 4PY -0.02346 -0.01367 0.00732 -0.06370 0.00000 192 4PZ 0.05225 0.02369 -0.02633 0.02589 0.00000 81 82 83 84 85 (B2)--V (B1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 0.78175 0.78246 0.80173 0.80351 0.80895 1 1 C 1S 0.05051 0.00000 0.01623 0.02998 -0.03273 2 2S 0.09510 0.00000 0.03299 0.05802 -0.06256 3 2PX 0.00000 0.03493 0.00000 0.00000 0.00000 4 2PY -0.06260 0.00000 0.00426 -0.01082 -0.08327 5 2PZ -0.13599 0.00000 0.03803 0.00066 -0.00945 6 3S -0.72291 0.00000 -0.38693 -0.52161 0.58255 7 3PX 0.00000 0.11058 0.00000 0.00000 0.00000 8 3PY 0.16709 0.00000 0.11557 0.12852 -0.30013 9 3PZ -0.11468 0.00000 0.09005 0.02355 0.24180 10 4S 2.67423 0.00000 2.27188 4.12645 -6.06741 11 4PX 0.00000 -0.56020 0.00000 0.00000 0.00000 12 4PY 2.03255 0.00000 -0.45163 -0.48428 3.02257 13 4PZ 3.57762 0.00000 -1.16972 0.17514 -0.48114 14 5S -3.68434 0.00000 -16.57679 6.17137 13.99410 15 5PX 0.00000 0.16739 0.00000 0.00000 0.00000 16 5PY 1.77335 0.00000 -4.17765 1.35127 -2.35178 17 5PZ 3.56962 0.00000 1.50244 -0.78659 -6.36065 18 6D 0 -0.00885 0.00000 -0.00871 -0.00429 -0.01323 19 6D+1 0.00000 0.00365 0.00000 0.00000 0.00000 20 6D-1 0.00324 0.00000 -0.00512 0.00664 -0.00150 21 6D+2 -0.00463 0.00000 0.00069 -0.00616 -0.00394 22 6D-2 0.00000 -0.00515 0.00000 0.00000 0.00000 23 7D 0 -0.32101 0.00000 0.27132 -0.19587 -0.14467 24 7D+1 0.00000 0.40277 0.00000 0.00000 0.00000 25 7D-1 0.47128 0.00000 0.16924 -0.30457 0.22881 26 7D+2 -0.11767 0.00000 -0.09210 -0.19155 0.00537 27 7D-2 0.00000 -0.33534 0.00000 0.00000 0.00000 28 2 C 1S 0.02756 0.00000 -0.05852 0.01874 0.01050 29 2S 0.05270 0.00000 -0.11325 0.03735 0.02382 30 2PX 0.00000 -0.01827 0.00000 0.00000 0.00000 31 2PY 0.03207 0.00000 -0.04386 -0.05198 0.01499 32 2PZ -0.03711 0.00000 -0.03599 0.01781 -0.07293 33 3S -0.30352 0.00000 0.97001 -0.39493 -0.25349 34 3PX 0.00000 -0.06425 0.00000 0.00000 0.00000 35 3PY 0.13127 0.00000 -0.34463 -0.07477 -0.03335 36 3PZ -0.07101 0.00000 -0.24591 0.06263 -0.15352 37 4S 0.64216 0.00000 -7.90588 2.07156 -2.15466 38 4PX 0.00000 0.28861 0.00000 0.00000 0.00000 39 4PY -0.61808 0.00000 1.16628 1.02619 -1.51191 40 4PZ 3.05273 0.00000 1.41604 -2.55183 4.23026 41 5S 0.96685 0.00000 24.46654 -25.98711 -1.89976 42 5PX 0.00000 -0.05689 0.00000 0.00000 0.00000 43 5PY -2.17045 0.00000 5.69545 -6.06394 3.87521 44 5PZ 3.59039 0.00000 -0.15980 0.43790 -8.84331 45 6D 0 -0.00052 0.00000 -0.00876 -0.01035 -0.00981 46 6D+1 0.00000 -0.00942 0.00000 0.00000 0.00000 47 6D-1 -0.00262 0.00000 -0.00193 0.00739 0.00776 48 6D+2 -0.00348 0.00000 -0.00198 -0.00019 0.00426 49 6D-2 0.00000 0.01060 0.00000 0.00000 0.00000 50 7D 0 -0.04786 0.00000 -0.00979 -0.06052 0.30445 51 7D+1 0.00000 0.16190 0.00000 0.00000 0.00000 52 7D-1 0.14322 0.00000 -0.01481 -0.38483 0.02664 53 7D+2 0.25626 0.00000 0.09655 -0.21770 0.19334 54 7D-2 0.00000 0.16630 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00000 -0.06105 0.00000 56 2S 0.00000 0.00000 0.00000 -0.11740 0.00000 57 2PX 0.00000 -0.08544 0.00000 0.00000 0.00000 58 2PY 0.01993 0.00000 0.05870 0.00000 0.05915 59 2PZ 0.00000 0.00000 0.00000 -0.08825 0.00000 60 3S 0.00000 0.00000 0.00000 1.00729 0.00000 61 3PX 0.00000 -0.32706 0.00000 0.00000 0.00000 62 3PY 0.03513 0.00000 0.03418 0.00000 0.17787 63 3PZ 0.00000 0.00000 0.00000 -0.54900 0.00000 64 4S 0.00000 0.00000 0.00000 -8.69331 0.00000 65 4PX 0.00000 0.50550 0.00000 0.00000 0.00000 66 4PY -3.06244 0.00000 -3.90516 0.00000 -5.10664 67 4PZ 0.00000 0.00000 0.00000 2.23050 0.00000 68 5S 0.00000 0.00000 0.00000 41.61792 0.00000 69 5PX 0.00000 -0.14484 0.00000 0.00000 0.00000 70 5PY -3.77200 0.00000 6.78210 0.00000 9.68626 71 5PZ 0.00000 0.00000 0.00000 7.86504 0.00000 72 6D 0 0.00000 0.00000 0.00000 0.00563 0.00000 73 6D+1 0.00000 0.02122 0.00000 0.00000 0.00000 74 6D-1 -0.00198 0.00000 -0.00818 0.00000 0.01010 75 6D+2 0.00000 0.00000 0.00000 0.00515 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 0.00000 0.07598 0.00000 78 7D+1 0.00000 0.57057 0.00000 0.00000 0.00000 79 7D-1 0.02675 0.00000 -0.48819 0.00000 -0.28048 80 7D+2 0.00000 0.00000 0.00000 0.17356 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.02756 0.00000 0.05852 0.01874 -0.01050 83 2S -0.05270 0.00000 0.11325 0.03735 -0.02382 84 2PX 0.00000 -0.01827 0.00000 0.00000 0.00000 85 2PY 0.03207 0.00000 -0.04386 0.05198 0.01499 86 2PZ 0.03711 0.00000 0.03599 0.01781 0.07293 87 3S 0.30352 0.00000 -0.97001 -0.39493 0.25349 88 3PX 0.00000 -0.06425 0.00000 0.00000 0.00000 89 3PY 0.13127 0.00000 -0.34463 0.07477 -0.03335 90 3PZ 0.07101 0.00000 0.24591 0.06263 0.15352 91 4S -0.64216 0.00000 7.90588 2.07156 2.15466 92 4PX 0.00000 0.28861 0.00000 0.00000 0.00000 93 4PY -0.61808 0.00000 1.16628 -1.02619 -1.51191 94 4PZ -3.05273 0.00000 -1.41604 -2.55183 -4.23026 95 5S -0.96685 0.00000 -24.46654 -25.98711 1.89976 96 5PX 0.00000 -0.05689 0.00000 0.00000 0.00000 97 5PY -2.17045 0.00000 5.69545 6.06394 3.87521 98 5PZ -3.59039 0.00000 0.15980 0.43790 8.84331 99 6D 0 0.00052 0.00000 0.00876 -0.01035 0.00981 100 6D+1 0.00000 -0.00942 0.00000 0.00000 0.00000 101 6D-1 -0.00262 0.00000 -0.00193 -0.00739 0.00776 102 6D+2 0.00348 0.00000 0.00198 -0.00019 -0.00426 103 6D-2 0.00000 -0.01060 0.00000 0.00000 0.00000 104 7D 0 0.04786 0.00000 0.00979 -0.06052 -0.30445 105 7D+1 0.00000 0.16190 0.00000 0.00000 0.00000 106 7D-1 0.14322 0.00000 -0.01481 0.38483 0.02664 107 7D+2 -0.25626 0.00000 -0.09655 -0.21770 -0.19334 108 7D-2 0.00000 -0.16630 0.00000 0.00000 0.00000 109 5 C 1S -0.05051 0.00000 -0.01623 0.02998 0.03273 110 2S -0.09510 0.00000 -0.03299 0.05802 0.06256 111 2PX 0.00000 0.03493 0.00000 0.00000 0.00000 112 2PY -0.06260 0.00000 0.00426 0.01082 -0.08327 113 2PZ 0.13599 0.00000 -0.03803 0.00066 0.00945 114 3S 0.72291 0.00000 0.38693 -0.52161 -0.58255 115 3PX 0.00000 0.11058 0.00000 0.00000 0.00000 116 3PY 0.16709 0.00000 0.11557 -0.12852 -0.30013 117 3PZ 0.11468 0.00000 -0.09005 0.02355 -0.24180 118 4S -2.67423 0.00000 -2.27188 4.12645 6.06741 119 4PX 0.00000 -0.56020 0.00000 0.00000 0.00000 120 4PY 2.03255 0.00000 -0.45163 0.48428 3.02257 121 4PZ -3.57762 0.00000 1.16972 0.17514 0.48114 122 5S 3.68434 0.00000 16.57679 6.17137 -13.99410 123 5PX 0.00000 0.16739 0.00000 0.00000 0.00000 124 5PY 1.77335 0.00000 -4.17765 -1.35127 -2.35178 125 5PZ -3.56962 0.00000 -1.50244 -0.78659 6.36065 126 6D 0 0.00885 0.00000 0.00871 -0.00429 0.01323 127 6D+1 0.00000 0.00365 0.00000 0.00000 0.00000 128 6D-1 0.00324 0.00000 -0.00512 -0.00664 -0.00150 129 6D+2 0.00463 0.00000 -0.00069 -0.00616 0.00394 130 6D-2 0.00000 0.00515 0.00000 0.00000 0.00000 131 7D 0 0.32101 0.00000 -0.27132 -0.19587 0.14467 132 7D+1 0.00000 0.40277 0.00000 0.00000 0.00000 133 7D-1 0.47128 0.00000 0.16924 0.30457 0.22881 134 7D+2 0.11767 0.00000 0.09210 -0.19155 -0.00537 135 7D-2 0.00000 0.33534 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 0.00000 0.00000 -0.00074 0.00000 137 2S 0.00000 0.00000 0.00000 -0.00520 0.00000 138 2PX 0.00000 0.02508 0.00000 0.00000 0.00000 139 2PY -0.17416 0.00000 -0.02460 0.00000 -0.06248 140 2PZ 0.00000 0.00000 0.00000 -0.03107 0.00000 141 3S 0.00000 0.00000 0.00000 0.14413 0.00000 142 3PX 0.00000 0.01541 0.00000 0.00000 0.00000 143 3PY -0.23519 0.00000 -0.01441 0.00000 -0.05687 144 3PZ 0.00000 0.00000 0.00000 -0.10739 0.00000 145 4S 0.00000 0.00000 0.00000 -0.82193 0.00000 146 4PX 0.00000 0.38090 0.00000 0.00000 0.00000 147 4PY 3.42430 0.00000 0.86915 0.00000 -0.39481 148 4PZ 0.00000 0.00000 0.00000 1.01410 0.00000 149 5S 0.00000 0.00000 0.00000 -4.71541 0.00000 150 5PX 0.00000 -0.17911 0.00000 0.00000 0.00000 151 5PY 4.21293 0.00000 -2.82716 0.00000 -3.70495 152 5PZ 0.00000 0.00000 0.00000 0.35485 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.01297 0.00000 154 6D+1 0.00000 0.01347 0.00000 0.00000 0.00000 155 6D-1 0.00729 0.00000 0.00433 0.00000 0.00424 156 6D+2 0.00000 0.00000 0.00000 -0.00224 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00000 -0.01676 0.00000 159 7D+1 0.00000 0.13708 0.00000 0.00000 0.00000 160 7D-1 -0.43781 0.00000 -0.04760 0.00000 0.03719 161 7D+2 0.00000 0.00000 0.00000 0.05608 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.03636 0.00000 -0.01979 -0.01196 -0.00821 164 2S -0.15474 0.00000 0.15933 -0.95252 -1.56167 165 3S 0.05976 0.00000 0.55786 -0.20943 -0.86555 166 4PX 0.00000 0.04697 0.00000 0.00000 0.00000 167 4PY -0.03628 0.00000 -0.02217 0.05955 0.08657 168 4PZ -0.01506 0.00000 -0.00001 0.04413 0.06496 169 8 H 1S -0.02943 0.00000 0.02017 -0.00222 -0.02004 170 2S -0.68540 0.00000 -1.14577 -0.46290 -0.54316 171 3S 0.11815 0.00000 -1.57486 0.07756 -0.34798 172 4PX 0.00000 -0.02251 0.00000 0.00000 0.00000 173 4PY -0.00781 0.00000 0.09568 0.00599 0.00388 174 4PZ -0.00971 0.00000 -0.07099 -0.01844 -0.01918 175 9 H 1S 0.00000 0.00000 0.00000 -0.02779 0.00000 176 2S 0.00000 0.00000 0.00000 1.20423 0.00000 177 3S 0.00000 0.00000 0.00000 1.84444 0.00000 178 4PX 0.00000 -0.10965 0.00000 0.00000 0.00000 179 4PY 0.00824 0.00000 -0.01213 0.00000 -0.03081 180 4PZ 0.00000 0.00000 0.00000 0.12999 0.00000 181 10 H 1S 0.02943 0.00000 -0.02017 -0.00222 0.02004 182 2S 0.68540 0.00000 1.14577 -0.46290 0.54316 183 3S -0.11815 0.00000 1.57486 0.07756 0.34798 184 4PX 0.00000 -0.02251 0.00000 0.00000 0.00000 185 4PY -0.00781 0.00000 0.09568 -0.00599 0.00388 186 4PZ 0.00971 0.00000 0.07099 -0.01844 0.01918 187 11 H 1S 0.03636 0.00000 0.01979 -0.01196 0.00821 188 2S 0.15474 0.00000 -0.15933 -0.95252 1.56167 189 3S -0.05976 0.00000 -0.55786 -0.20943 0.86555 190 4PX 0.00000 0.04697 0.00000 0.00000 0.00000 191 4PY -0.03628 0.00000 -0.02217 -0.05955 0.08657 192 4PZ 0.01506 0.00000 0.00001 0.04413 -0.06496 86 87 88 89 90 (A1)--V (A1)--V (B1)--V (A2)--V (B1)--V Eigenvalues -- 0.82271 0.84614 0.85392 0.87198 0.91450 1 1 C 1S -0.05357 -0.02901 0.00000 0.00000 0.00000 2 2S -0.10283 -0.05867 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 -0.03278 -0.04153 -0.01402 4 2PY 0.09770 -0.06933 0.00000 0.00000 0.00000 5 2PZ -0.06291 0.06530 0.00000 0.00000 0.00000 6 3S 0.94675 0.52168 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 -0.10386 -0.13919 -0.13693 8 3PY 0.08348 -0.18177 0.00000 0.00000 0.00000 9 3PZ -0.09970 0.31502 0.00000 0.00000 0.00000 10 4S -5.48897 -3.50450 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.40018 0.16971 -0.50312 12 4PY -0.86601 -1.05424 0.00000 0.00000 0.00000 13 4PZ 0.38968 0.07840 0.00000 0.00000 0.00000 14 5S -1.44629 -18.62351 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 -0.40822 -0.04823 1.37367 16 5PY 0.05802 0.57665 0.00000 0.00000 0.00000 17 5PZ 0.60308 5.26792 0.00000 0.00000 0.00000 18 6D 0 0.00129 -0.00017 0.00000 0.00000 0.00000 19 6D+1 0.00000 0.00000 -0.01869 0.00202 -0.00466 20 6D-1 0.01121 0.00233 0.00000 0.00000 0.00000 21 6D+2 0.00135 -0.00952 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 -0.00364 0.01303 0.00306 23 7D 0 -0.19256 -0.04931 0.00000 0.00000 0.00000 24 7D+1 0.00000 0.00000 -0.19472 0.29379 -0.20696 25 7D-1 -0.13152 -0.47196 0.00000 0.00000 0.00000 26 7D+2 0.22837 -0.45679 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 -0.34047 0.55616 -0.25424 28 2 C 1S 0.03806 -0.00546 0.00000 0.00000 0.00000 29 2S 0.07176 -0.00956 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 -0.02538 0.05607 -0.03258 31 2PY -0.00142 -0.02000 0.00000 0.00000 0.00000 32 2PZ -0.01774 -0.01604 0.00000 0.00000 0.00000 33 3S -0.60962 -0.02138 0.00000 0.00000 0.00000 34 3PX 0.00000 0.00000 -0.09019 0.24529 -0.12634 35 3PY 0.12904 -0.11319 0.00000 0.00000 0.00000 36 3PZ 0.15468 0.04711 0.00000 0.00000 0.00000 37 4S 4.27867 1.56981 0.00000 0.00000 0.00000 38 4PX 0.00000 0.00000 0.01202 0.06003 0.39545 39 4PY -0.59602 1.00474 0.00000 0.00000 0.00000 40 4PZ -0.46470 0.27607 0.00000 0.00000 0.00000 41 5S -7.81960 21.02069 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.42203 0.00613 -1.13541 43 5PY -2.65425 0.50574 0.00000 0.00000 0.00000 44 5PZ 0.44458 4.86417 0.00000 0.00000 0.00000 45 6D 0 0.00119 -0.00411 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.01329 0.00010 0.00497 47 6D-1 -0.00274 0.01311 0.00000 0.00000 0.00000 48 6D+2 0.00141 -0.00403 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 0.00182 -0.01071 -0.00443 50 7D 0 0.31033 0.45014 0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 0.59703 0.07743 0.14363 52 7D-1 -0.09878 -0.24850 0.00000 0.00000 0.00000 53 7D+2 -0.08599 -0.12043 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 -0.08603 -0.25509 0.02044 55 3 C 1S -0.02289 0.01852 0.00000 0.00000 0.00000 56 2S -0.04327 0.03788 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.03734 0.00000 0.01931 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.11869 -0.05546 0.00000 0.00000 0.00000 60 3S 0.48873 -0.33172 0.00000 0.00000 0.00000 61 3PX 0.00000 0.00000 0.16627 0.00000 0.05267 62 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 3PZ 0.15421 -0.15210 0.00000 0.00000 0.00000 64 4S -4.09352 -2.03115 0.00000 0.00000 0.00000 65 4PX 0.00000 0.00000 0.35631 0.00000 -0.16751 66 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4PZ 1.70868 -0.82749 0.00000 0.00000 0.00000 68 5S 16.29461 -7.93283 0.00000 0.00000 0.00000 69 5PX 0.00000 0.00000 -0.44875 0.00000 0.91563 70 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 5PZ 2.68320 -2.89976 0.00000 0.00000 0.00000 72 6D 0 -0.01001 0.00570 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 -0.00426 0.00000 -0.00247 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 -0.00734 -0.00324 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.01643 0.00000 77 7D 0 -0.19953 0.42663 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 -0.01452 0.00000 -0.03335 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.46286 0.11558 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.49028 0.00000 82 4 C 1S 0.03806 -0.00546 0.00000 0.00000 0.00000 83 2S 0.07176 -0.00956 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 -0.02538 -0.05607 -0.03258 85 2PY 0.00142 0.02000 0.00000 0.00000 0.00000 86 2PZ -0.01774 -0.01604 0.00000 0.00000 0.00000 87 3S -0.60962 -0.02138 0.00000 0.00000 0.00000 88 3PX 0.00000 0.00000 -0.09019 -0.24529 -0.12634 89 3PY -0.12904 0.11319 0.00000 0.00000 0.00000 90 3PZ 0.15468 0.04711 0.00000 0.00000 0.00000 91 4S 4.27867 1.56981 0.00000 0.00000 0.00000 92 4PX 0.00000 0.00000 0.01202 -0.06003 0.39545 93 4PY 0.59602 -1.00474 0.00000 0.00000 0.00000 94 4PZ -0.46470 0.27607 0.00000 0.00000 0.00000 95 5S -7.81960 21.02069 0.00000 0.00000 0.00000 96 5PX 0.00000 0.00000 0.42203 -0.00613 -1.13541 97 5PY 2.65425 -0.50574 0.00000 0.00000 0.00000 98 5PZ 0.44458 4.86417 0.00000 0.00000 0.00000 99 6D 0 0.00119 -0.00411 0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 0.01329 -0.00010 0.00497 101 6D-1 0.00274 -0.01311 0.00000 0.00000 0.00000 102 6D+2 0.00141 -0.00403 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 -0.00182 -0.01071 0.00443 104 7D 0 0.31033 0.45014 0.00000 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.59703 -0.07743 0.14363 106 7D-1 0.09878 0.24850 0.00000 0.00000 0.00000 107 7D+2 -0.08599 -0.12043 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.08603 -0.25509 -0.02044 109 5 C 1S -0.05357 -0.02901 0.00000 0.00000 0.00000 110 2S -0.10283 -0.05867 0.00000 0.00000 0.00000 111 2PX 0.00000 0.00000 -0.03278 0.04153 -0.01402 112 2PY -0.09770 0.06933 0.00000 0.00000 0.00000 113 2PZ -0.06291 0.06530 0.00000 0.00000 0.00000 114 3S 0.94675 0.52168 0.00000 0.00000 0.00000 115 3PX 0.00000 0.00000 -0.10386 0.13919 -0.13693 116 3PY -0.08348 0.18177 0.00000 0.00000 0.00000 117 3PZ -0.09970 0.31502 0.00000 0.00000 0.00000 118 4S -5.48897 -3.50450 0.00000 0.00000 0.00000 119 4PX 0.00000 0.00000 -0.40018 -0.16971 -0.50312 120 4PY 0.86601 1.05424 0.00000 0.00000 0.00000 121 4PZ 0.38968 0.07840 0.00000 0.00000 0.00000 122 5S -1.44629 -18.62351 0.00000 0.00000 0.00000 123 5PX 0.00000 0.00000 -0.40822 0.04823 1.37367 124 5PY -0.05802 -0.57665 0.00000 0.00000 0.00000 125 5PZ 0.60308 5.26792 0.00000 0.00000 0.00000 126 6D 0 0.00129 -0.00017 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 -0.01869 -0.00202 -0.00466 128 6D-1 -0.01121 -0.00233 0.00000 0.00000 0.00000 129 6D+2 0.00135 -0.00952 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00364 0.01303 -0.00306 131 7D 0 -0.19256 -0.04931 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 -0.19472 -0.29379 -0.20696 133 7D-1 0.13152 0.47196 0.00000 0.00000 0.00000 134 7D+2 0.22837 -0.45679 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.34047 0.55616 0.25424 136 6 N 1S 0.00784 0.00961 0.00000 0.00000 0.00000 137 2S 0.01478 0.01685 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.14578 0.00000 -0.20461 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.03409 -0.04830 0.00000 0.00000 0.00000 141 3S -0.15874 -0.10144 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.41464 0.00000 -0.80621 143 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PZ -0.02040 -0.21638 0.00000 0.00000 0.00000 145 4S 2.79173 1.43109 0.00000 0.00000 0.00000 146 4PX 0.00000 0.00000 -0.00338 0.00000 2.58135 147 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PZ -0.99142 0.42161 0.00000 0.00000 0.00000 149 5S 5.81614 5.68842 0.00000 0.00000 0.00000 150 5PX 0.00000 0.00000 0.73366 0.00000 -2.28867 151 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5PZ -2.33436 -3.85744 0.00000 0.00000 0.00000 153 6D 0 -0.00125 0.01888 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.01110 0.00000 0.02284 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.00025 -0.00393 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.02814 0.00000 158 7D 0 -0.01578 -0.01754 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.07151 0.00000 0.11660 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 -0.31289 -0.28855 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.09993 0.00000 163 7 H 1S -0.00984 -0.04726 0.00000 0.00000 0.00000 164 2S 0.66163 -1.09459 0.00000 0.00000 0.00000 165 3S -0.07384 1.14201 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 -0.02785 0.08220 -0.05237 167 4PY -0.02994 -0.00032 0.00000 0.00000 0.00000 168 4PZ -0.03178 -0.00293 0.00000 0.00000 0.00000 169 8 H 1S 0.02765 -0.00255 0.00000 0.00000 0.00000 170 2S -0.64258 0.13277 0.00000 0.00000 0.00000 171 3S -0.93830 -0.07883 0.00000 0.00000 0.00000 172 4PX 0.00000 0.00000 -0.05910 -0.08763 0.00957 173 4PY 0.06171 -0.03770 0.00000 0.00000 0.00000 174 4PZ -0.03320 0.01996 0.00000 0.00000 0.00000 175 9 H 1S 0.02441 -0.01418 0.00000 0.00000 0.00000 176 2S 1.87278 -0.51818 0.00000 0.00000 0.00000 177 3S 0.19846 0.18319 0.00000 0.00000 0.00000 178 4PX 0.00000 0.00000 0.05752 0.00000 0.02130 179 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PZ 0.05407 -0.02292 0.00000 0.00000 0.00000 181 10 H 1S 0.02765 -0.00255 0.00000 0.00000 0.00000 182 2S -0.64258 0.13277 0.00000 0.00000 0.00000 183 3S -0.93830 -0.07883 0.00000 0.00000 0.00000 184 4PX 0.00000 0.00000 -0.05910 0.08763 0.00957 185 4PY -0.06171 0.03770 0.00000 0.00000 0.00000 186 4PZ -0.03320 0.01996 0.00000 0.00000 0.00000 187 11 H 1S -0.00984 -0.04726 0.00000 0.00000 0.00000 188 2S 0.66163 -1.09459 0.00000 0.00000 0.00000 189 3S -0.07384 1.14201 0.00000 0.00000 0.00000 190 4PX 0.00000 0.00000 -0.02785 -0.08220 -0.05237 191 4PY 0.02994 0.00032 0.00000 0.00000 0.00000 192 4PZ -0.03178 -0.00293 0.00000 0.00000 0.00000 91 92 93 94 95 (B2)--V (A1)--V (A1)--V (B2)--V (A2)--V Eigenvalues -- 0.91683 0.92689 0.99064 1.04610 1.12947 1 1 C 1S 0.00259 0.00946 0.00958 -0.03164 0.00000 2 2S 0.00017 0.01724 0.01809 -0.07317 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 -0.02633 4 2PY -0.02952 0.04845 0.03278 -0.00182 0.00000 5 2PZ -0.01144 0.02328 -0.00703 0.01429 0.00000 6 3S -0.10296 -0.18525 -0.41918 0.81773 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 -0.02172 8 3PY 0.19423 0.43708 0.24824 0.35694 0.00000 9 3PZ 0.06065 0.28037 -0.28768 0.17670 0.00000 10 4S 7.66776 3.57914 13.55019 -1.91276 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 -1.25135 12 4PY 6.13451 2.36250 3.37453 -2.06404 0.00000 13 4PZ 1.78900 -1.08780 -3.66789 5.70661 0.00000 14 5S -2.37902 -6.17570 3.00355 -3.00405 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 0.46527 16 5PY -0.37579 1.67277 1.21621 -0.46558 0.00000 17 5PZ -0.23358 2.76503 0.17106 0.68779 0.00000 18 6D 0 -0.01013 -0.00061 0.00826 -0.00053 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00148 20 6D-1 0.01098 0.01506 -0.00021 0.01515 0.00000 21 6D+2 -0.01103 0.00356 0.01087 -0.01646 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00500 23 7D 0 0.05805 -0.24752 0.33842 -0.42611 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.85720 25 7D-1 0.64923 -0.00017 0.28029 0.23032 0.00000 26 7D+2 -0.45726 -0.26605 -0.38602 -0.47310 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 -0.33815 28 2 C 1S -0.02181 0.00038 -0.03015 0.01663 0.00000 29 2S -0.04603 -0.00001 -0.06583 0.03638 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 0.06239 31 2PY 0.04808 0.04974 -0.00637 0.02759 0.00000 32 2PZ -0.03130 0.04235 0.01226 -0.01154 0.00000 33 3S 0.45997 0.07875 1.03930 -0.48397 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 0.20763 35 3PY 0.19327 0.26904 -0.29396 -0.09456 0.00000 36 3PZ -0.07051 -0.00339 0.23811 0.32832 0.00000 37 4S -2.90089 0.36079 -18.21740 5.72014 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 1.45411 39 4PY -5.48232 0.96174 -7.95512 3.14471 0.00000 40 4PZ -0.76129 -0.21186 -4.83672 2.87207 0.00000 41 5S -0.51086 4.51249 -1.40082 -0.50522 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 -0.50059 43 5PY -0.67640 -1.77934 -0.68774 -0.16199 0.00000 44 5PZ 0.45548 3.09668 -0.65894 1.75230 0.00000 45 6D 0 0.00357 -0.00097 0.01774 0.00553 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00380 47 6D-1 -0.01321 -0.00816 -0.00193 0.00105 0.00000 48 6D+2 -0.00733 0.00114 0.00297 0.00685 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00099 50 7D 0 -0.10139 -0.01250 -0.43019 0.06325 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.55426 52 7D-1 0.25752 -0.50495 0.39001 -0.13932 0.00000 53 7D+2 -0.05446 0.22522 0.42879 -0.00356 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.62071 55 3 C 1S 0.00000 -0.01278 0.04178 0.00000 0.00000 56 2S 0.00000 -0.02834 0.09092 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.03891 0.00000 0.00000 0.03384 0.00000 59 2PZ 0.00000 0.04386 0.01637 0.00000 0.00000 60 3S 0.00000 0.36148 -1.23682 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -0.37271 0.00000 0.00000 0.46392 0.00000 63 3PZ 0.00000 0.27660 0.24651 0.00000 0.00000 64 4S 0.00000 -2.68410 18.74703 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -2.17038 0.00000 0.00000 -0.46836 0.00000 67 4PZ 0.00000 -3.68126 11.94850 0.00000 0.00000 68 5S 0.00000 6.25208 0.84907 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.28013 0.00000 0.00000 -2.35360 0.00000 71 5PZ 0.00000 -0.59969 0.91860 0.00000 0.00000 72 6D 0 0.00000 -0.00974 0.00166 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.01791 0.00000 0.00000 0.00742 0.00000 75 6D+2 0.00000 -0.01101 0.02095 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00455 77 7D 0 0.00000 0.12675 -0.53013 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.49698 0.00000 0.00000 -0.13991 0.00000 80 7D+2 0.00000 0.18521 -0.69698 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.80225 82 4 C 1S 0.02181 0.00038 -0.03015 -0.01663 0.00000 83 2S 0.04603 -0.00001 -0.06583 -0.03638 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 -0.06239 85 2PY 0.04808 -0.04974 0.00637 0.02759 0.00000 86 2PZ 0.03130 0.04235 0.01226 0.01154 0.00000 87 3S -0.45997 0.07875 1.03930 0.48397 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 -0.20763 89 3PY 0.19327 -0.26904 0.29396 -0.09456 0.00000 90 3PZ 0.07051 -0.00339 0.23811 -0.32832 0.00000 91 4S 2.90089 0.36079 -18.21740 -5.72014 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 -1.45411 93 4PY -5.48232 -0.96174 7.95512 3.14471 0.00000 94 4PZ 0.76129 -0.21186 -4.83672 -2.87207 0.00000 95 5S 0.51086 4.51249 -1.40082 0.50522 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 0.50059 97 5PY -0.67640 1.77934 0.68774 -0.16199 0.00000 98 5PZ -0.45548 3.09668 -0.65894 -1.75230 0.00000 99 6D 0 -0.00357 -0.00097 0.01774 -0.00553 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00380 101 6D-1 -0.01321 0.00816 0.00193 0.00105 0.00000 102 6D+2 0.00733 0.00114 0.00297 -0.00685 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00099 104 7D 0 0.10139 -0.01250 -0.43019 -0.06325 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.55426 106 7D-1 0.25752 0.50495 -0.39001 -0.13932 0.00000 107 7D+2 0.05446 0.22522 0.42879 0.00356 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.62071 109 5 C 1S -0.00259 0.00946 0.00958 0.03164 0.00000 110 2S -0.00017 0.01724 0.01809 0.07317 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.02633 112 2PY -0.02952 -0.04845 -0.03278 -0.00182 0.00000 113 2PZ 0.01144 0.02328 -0.00703 -0.01429 0.00000 114 3S 0.10296 -0.18525 -0.41918 -0.81773 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.02172 116 3PY 0.19423 -0.43708 -0.24824 0.35694 0.00000 117 3PZ -0.06065 0.28037 -0.28768 -0.17670 0.00000 118 4S -7.66776 3.57914 13.55019 1.91276 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 1.25135 120 4PY 6.13451 -2.36250 -3.37453 -2.06404 0.00000 121 4PZ -1.78900 -1.08780 -3.66789 -5.70661 0.00000 122 5S 2.37902 -6.17570 3.00355 3.00405 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 -0.46527 124 5PY -0.37579 -1.67277 -1.21621 -0.46558 0.00000 125 5PZ 0.23358 2.76503 0.17106 -0.68779 0.00000 126 6D 0 0.01013 -0.00061 0.00826 0.00053 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00148 128 6D-1 0.01098 -0.01506 0.00021 0.01515 0.00000 129 6D+2 0.01103 0.00356 0.01087 0.01646 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00500 131 7D 0 -0.05805 -0.24752 0.33842 0.42611 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 -0.85720 133 7D-1 0.64923 0.00017 -0.28029 0.23032 0.00000 134 7D+2 0.45726 -0.26605 -0.38602 0.47310 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.33815 136 6 N 1S 0.00000 0.01912 0.04415 0.00000 0.00000 137 2S 0.00000 0.02608 0.07966 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.10865 0.00000 0.00000 -0.04315 0.00000 140 2PZ 0.00000 -0.13741 -0.08009 0.00000 0.00000 141 3S 0.00000 0.17712 -0.29504 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.24640 0.00000 0.00000 -0.27025 0.00000 144 3PZ 0.00000 -0.54099 -0.25306 0.00000 0.00000 145 4S 0.00000 -4.15499 -5.82082 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 6.71504 0.00000 0.00000 3.53795 0.00000 148 4PZ 0.00000 4.11727 3.50317 0.00000 0.00000 149 5S 0.00000 -5.31732 -8.32742 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.38839 0.00000 0.00000 1.21779 0.00000 152 5PZ 0.00000 -1.22120 1.11066 0.00000 0.00000 153 6D 0 0.00000 0.02724 0.00644 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.03847 0.00000 0.00000 0.03563 0.00000 156 6D+2 0.00000 -0.01194 -0.00959 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00509 158 7D 0 0.00000 -0.07485 -0.09364 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.33296 0.00000 0.00000 -0.05355 0.00000 161 7D+2 0.00000 0.04423 0.34502 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 -0.08451 163 7 H 1S -0.02149 0.00570 -0.00477 0.04159 0.00000 164 2S -0.52988 0.36658 -0.11762 1.53930 0.00000 165 3S -0.88353 1.00389 0.90778 1.06665 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 -0.11252 167 4PY 0.01325 0.01301 0.03341 0.02492 0.00000 168 4PZ 0.01193 0.03558 0.00890 -0.00540 0.00000 169 8 H 1S 0.04190 0.00394 -0.04755 -0.01351 0.00000 170 2S 1.49393 1.01666 -0.70045 -0.87940 0.00000 171 3S 1.43382 -0.31506 -1.81534 -1.02360 0.00000 172 4PX 0.00000 0.00000 0.00000 0.00000 0.06113 173 4PY -0.03279 -0.03925 -0.04717 -0.02569 0.00000 174 4PZ -0.01710 0.02092 0.01335 -0.02408 0.00000 175 9 H 1S 0.00000 -0.02811 0.06029 0.00000 0.00000 176 2S 0.00000 -0.78249 2.10751 0.00000 0.00000 177 3S 0.00000 -1.41472 2.40314 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00842 0.00000 0.00000 0.01811 0.00000 180 4PZ 0.00000 -0.01149 -0.00625 0.00000 0.00000 181 10 H 1S -0.04190 0.00394 -0.04755 0.01351 0.00000 182 2S -1.49393 1.01666 -0.70045 0.87940 0.00000 183 3S -1.43382 -0.31506 -1.81534 1.02360 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 -0.06113 185 4PY -0.03279 0.03925 0.04717 -0.02569 0.00000 186 4PZ 0.01710 0.02092 0.01335 0.02408 0.00000 187 11 H 1S 0.02149 0.00570 -0.00477 -0.04159 0.00000 188 2S 0.52988 0.36658 -0.11762 -1.53930 0.00000 189 3S 0.88353 1.00389 0.90778 -1.06665 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.11252 191 4PY 0.01325 -0.01301 -0.03341 0.02492 0.00000 192 4PZ -0.01193 0.03558 0.00890 0.00540 0.00000 96 97 98 99 100 (A1)--V (B2)--V (B1)--V (B1)--V (A1)--V Eigenvalues -- 1.13792 1.15894 1.17552 1.25046 1.27873 1 1 C 1S -0.02401 0.00529 0.00000 0.00000 0.01733 2 2S -0.05701 0.00772 0.00000 0.00000 0.04092 3 2PX 0.00000 0.00000 0.00247 -0.03380 0.00000 4 2PY -0.03859 -0.04421 0.00000 0.00000 -0.01804 5 2PZ 0.02834 0.00814 0.00000 0.00000 -0.00797 6 3S 0.91712 0.04084 0.00000 0.00000 -0.19883 7 3PX 0.00000 0.00000 -0.02015 -0.15076 0.00000 8 3PY -0.42811 0.18454 0.00000 0.00000 -0.07879 9 3PZ -0.15069 0.52131 0.00000 0.00000 0.45507 10 4S -8.19850 -1.76134 0.00000 0.00000 -7.13022 11 4PX 0.00000 0.00000 0.46490 -0.38275 0.00000 12 4PY -3.36619 -1.22119 0.00000 0.00000 -1.69059 13 4PZ 0.46182 1.70095 0.00000 0.00000 1.70284 14 5S -8.68237 -6.81065 0.00000 0.00000 7.84795 15 5PX 0.00000 0.00000 -0.31139 -0.02134 0.00000 16 5PY 0.38858 -3.55667 0.00000 0.00000 -0.64579 17 5PZ 2.66914 -0.42969 0.00000 0.00000 -1.57704 18 6D 0 0.00964 0.00012 0.00000 0.00000 0.00299 19 6D+1 0.00000 0.00000 0.00601 -0.00227 0.00000 20 6D-1 -0.00419 0.01045 0.00000 0.00000 0.00898 21 6D+2 -0.00225 -0.01872 0.00000 0.00000 0.00918 22 6D-2 0.00000 0.00000 -0.00163 0.00167 0.00000 23 7D 0 -0.53009 0.37306 0.00000 0.00000 -0.28177 24 7D+1 0.00000 0.00000 -0.31253 1.17182 0.00000 25 7D-1 -1.36771 -0.07043 0.00000 0.00000 -0.26525 26 7D+2 0.51390 0.21607 0.00000 0.00000 0.54603 27 7D-2 0.00000 0.00000 0.04733 0.52083 0.00000 28 2 C 1S -0.02739 -0.01102 0.00000 0.00000 0.03134 29 2S -0.06785 -0.02353 0.00000 0.00000 0.07222 30 2PX 0.00000 0.00000 -0.04279 0.06001 0.00000 31 2PY -0.05922 0.01686 0.00000 0.00000 -0.08459 32 2PZ -0.00375 0.03965 0.00000 0.00000 0.08984 33 3S 0.71366 0.15027 0.00000 0.00000 -0.82125 34 3PX 0.00000 0.00000 -0.09873 0.21403 0.00000 35 3PY -0.07363 0.32807 0.00000 0.00000 -0.51024 36 3PZ 0.05765 -0.20813 0.00000 0.00000 0.47360 37 4S 4.96449 2.42793 0.00000 0.00000 1.19676 38 4PX 0.00000 0.00000 -1.73055 0.51052 0.00000 39 4PY 2.27176 0.16984 0.00000 0.00000 -1.19786 40 4PZ 1.05172 2.42303 0.00000 0.00000 4.00531 41 5S 8.42582 7.23564 0.00000 0.00000 -6.61504 42 5PX 0.00000 0.00000 0.79469 -0.05232 0.00000 43 5PY 0.11179 3.04185 0.00000 0.00000 0.63915 44 5PZ 2.33208 -1.81797 0.00000 0.00000 -3.61724 45 6D 0 -0.00471 -0.00057 0.00000 0.00000 -0.00546 46 6D+1 0.00000 0.00000 -0.00269 -0.01092 0.00000 47 6D-1 0.01983 -0.00420 0.00000 0.00000 0.00963 48 6D+2 -0.00901 0.00045 0.00000 0.00000 -0.00633 49 6D-2 0.00000 0.00000 0.00338 -0.00464 0.00000 50 7D 0 0.11669 0.68100 0.00000 0.00000 1.19450 51 7D+1 0.00000 0.00000 0.01243 1.06413 0.00000 52 7D-1 -0.28498 0.48363 0.00000 0.00000 0.31489 53 7D+2 0.07049 0.30081 0.00000 0.00000 0.41105 54 7D-2 0.00000 0.00000 -1.04299 -0.29687 0.00000 55 3 C 1S -0.03653 0.00000 0.00000 0.00000 -0.01057 56 2S -0.08352 0.00000 0.00000 0.00000 -0.01541 57 2PX 0.00000 0.00000 0.08604 0.06722 0.00000 58 2PY 0.00000 0.07001 0.00000 0.00000 0.00000 59 2PZ -0.02555 0.00000 0.00000 0.00000 0.08942 60 3S 0.88486 0.00000 0.00000 0.00000 -0.35773 61 3PX 0.00000 0.00000 0.22481 0.30434 0.00000 62 3PY 0.00000 -0.33407 0.00000 0.00000 0.00000 63 3PZ -0.07390 0.00000 0.00000 0.00000 0.42929 64 4S -6.12477 0.00000 0.00000 0.00000 7.72567 65 4PX 0.00000 0.00000 2.43099 0.16476 0.00000 66 4PY 0.00000 0.90687 0.00000 0.00000 0.00000 67 4PZ -3.01582 0.00000 0.00000 0.00000 2.70651 68 5S -1.24170 0.00000 0.00000 0.00000 -2.46530 69 5PX 0.00000 0.00000 -1.04131 -0.06533 0.00000 70 5PY 0.00000 2.66057 0.00000 0.00000 0.00000 71 5PZ -0.69467 0.00000 0.00000 0.00000 1.48276 72 6D 0 0.00387 0.00000 0.00000 0.00000 0.00732 73 6D+1 0.00000 0.00000 -0.00565 -0.01115 0.00000 74 6D-1 0.00000 -0.00633 0.00000 0.00000 0.00000 75 6D+2 -0.00534 0.00000 0.00000 0.00000 0.01115 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.82962 0.00000 0.00000 0.00000 0.58097 78 7D+1 0.00000 0.00000 1.28229 0.03869 0.00000 79 7D-1 0.00000 0.86932 0.00000 0.00000 0.00000 80 7D+2 0.73249 0.00000 0.00000 0.00000 -0.91273 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.02739 0.01102 0.00000 0.00000 0.03134 83 2S -0.06785 0.02353 0.00000 0.00000 0.07222 84 2PX 0.00000 0.00000 -0.04279 0.06001 0.00000 85 2PY 0.05922 0.01686 0.00000 0.00000 0.08459 86 2PZ -0.00375 -0.03965 0.00000 0.00000 0.08984 87 3S 0.71366 -0.15027 0.00000 0.00000 -0.82125 88 3PX 0.00000 0.00000 -0.09873 0.21403 0.00000 89 3PY 0.07363 0.32807 0.00000 0.00000 0.51024 90 3PZ 0.05765 0.20813 0.00000 0.00000 0.47360 91 4S 4.96449 -2.42793 0.00000 0.00000 1.19676 92 4PX 0.00000 0.00000 -1.73055 0.51052 0.00000 93 4PY -2.27176 0.16984 0.00000 0.00000 1.19786 94 4PZ 1.05172 -2.42303 0.00000 0.00000 4.00531 95 5S 8.42582 -7.23564 0.00000 0.00000 -6.61504 96 5PX 0.00000 0.00000 0.79469 -0.05232 0.00000 97 5PY -0.11179 3.04185 0.00000 0.00000 -0.63915 98 5PZ 2.33208 1.81797 0.00000 0.00000 -3.61724 99 6D 0 -0.00471 0.00057 0.00000 0.00000 -0.00546 100 6D+1 0.00000 0.00000 -0.00269 -0.01092 0.00000 101 6D-1 -0.01983 -0.00420 0.00000 0.00000 -0.00963 102 6D+2 -0.00901 -0.00045 0.00000 0.00000 -0.00633 103 6D-2 0.00000 0.00000 -0.00338 0.00464 0.00000 104 7D 0 0.11669 -0.68100 0.00000 0.00000 1.19450 105 7D+1 0.00000 0.00000 0.01243 1.06413 0.00000 106 7D-1 0.28498 0.48363 0.00000 0.00000 -0.31489 107 7D+2 0.07049 -0.30081 0.00000 0.00000 0.41105 108 7D-2 0.00000 0.00000 1.04299 0.29687 0.00000 109 5 C 1S -0.02401 -0.00529 0.00000 0.00000 0.01733 110 2S -0.05701 -0.00772 0.00000 0.00000 0.04092 111 2PX 0.00000 0.00000 0.00247 -0.03380 0.00000 112 2PY 0.03859 -0.04421 0.00000 0.00000 0.01804 113 2PZ 0.02834 -0.00814 0.00000 0.00000 -0.00797 114 3S 0.91712 -0.04084 0.00000 0.00000 -0.19883 115 3PX 0.00000 0.00000 -0.02015 -0.15076 0.00000 116 3PY 0.42811 0.18454 0.00000 0.00000 0.07879 117 3PZ -0.15069 -0.52131 0.00000 0.00000 0.45507 118 4S -8.19850 1.76134 0.00000 0.00000 -7.13022 119 4PX 0.00000 0.00000 0.46490 -0.38275 0.00000 120 4PY 3.36619 -1.22119 0.00000 0.00000 1.69059 121 4PZ 0.46182 -1.70095 0.00000 0.00000 1.70284 122 5S -8.68237 6.81065 0.00000 0.00000 7.84795 123 5PX 0.00000 0.00000 -0.31139 -0.02134 0.00000 124 5PY -0.38858 -3.55667 0.00000 0.00000 0.64579 125 5PZ 2.66914 0.42969 0.00000 0.00000 -1.57704 126 6D 0 0.00964 -0.00012 0.00000 0.00000 0.00299 127 6D+1 0.00000 0.00000 0.00601 -0.00227 0.00000 128 6D-1 0.00419 0.01045 0.00000 0.00000 -0.00898 129 6D+2 -0.00225 0.01872 0.00000 0.00000 0.00918 130 6D-2 0.00000 0.00000 0.00163 -0.00167 0.00000 131 7D 0 -0.53009 -0.37306 0.00000 0.00000 -0.28177 132 7D+1 0.00000 0.00000 -0.31253 1.17182 0.00000 133 7D-1 1.36771 -0.07043 0.00000 0.00000 0.26525 134 7D+2 0.51390 -0.21607 0.00000 0.00000 0.54603 135 7D-2 0.00000 0.00000 -0.04733 -0.52083 0.00000 136 6 N 1S 0.02179 0.00000 0.00000 0.00000 0.00527 137 2S 0.04606 0.00000 0.00000 0.00000 0.01540 138 2PX 0.00000 0.00000 -0.01133 -0.06436 0.00000 139 2PY 0.00000 -0.10646 0.00000 0.00000 0.00000 140 2PZ -0.03584 0.00000 0.00000 0.00000 -0.08210 141 3S -0.62301 0.00000 0.00000 0.00000 -0.29918 142 3PX 0.00000 0.00000 -0.00754 -0.19875 0.00000 143 3PY 0.00000 -0.55809 0.00000 0.00000 0.00000 144 3PZ -0.37043 0.00000 0.00000 0.00000 -0.30057 145 4S 10.00639 0.00000 0.00000 0.00000 5.22637 146 4PX 0.00000 0.00000 0.01899 -0.88171 0.00000 147 4PY 0.00000 2.36582 0.00000 0.00000 0.00000 148 4PZ -1.96093 0.00000 0.00000 0.00000 -1.32195 149 5S 3.27468 0.00000 0.00000 0.00000 0.63876 150 5PX 0.00000 0.00000 0.13104 0.29532 0.00000 151 5PY 0.00000 -2.33340 0.00000 0.00000 0.00000 152 5PZ -2.23510 0.00000 0.00000 0.00000 -0.20030 153 6D 0 0.02150 0.00000 0.00000 0.00000 -0.01153 154 6D+1 0.00000 0.00000 -0.00629 -0.01095 0.00000 155 6D-1 0.00000 0.01352 0.00000 0.00000 0.00000 156 6D+2 0.02768 0.00000 0.00000 0.00000 0.01058 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.23437 0.00000 0.00000 0.00000 -0.20462 159 7D+1 0.00000 0.00000 -0.24875 0.08910 0.00000 160 7D-1 0.00000 -0.12267 0.00000 0.00000 0.00000 161 7D+2 -0.22045 0.00000 0.00000 0.00000 -0.01012 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.02836 -0.01256 0.00000 0.00000 -0.00950 164 2S -0.80600 0.42129 0.00000 0.00000 0.36736 165 3S 0.28910 0.98352 0.00000 0.00000 -0.88705 166 4PX 0.00000 0.00000 -0.00774 -0.01258 0.00000 167 4PY 0.05254 0.03570 0.00000 0.00000 0.01113 168 4PZ -0.00646 -0.04688 0.00000 0.00000 0.05324 169 8 H 1S 0.07609 0.00612 0.00000 0.00000 -0.00670 170 2S 0.01202 -0.19415 0.00000 0.00000 0.25387 171 3S 0.70558 -0.23254 0.00000 0.00000 0.21618 172 4PX 0.00000 0.00000 0.12207 0.06506 0.00000 173 4PY -0.05380 0.02069 0.00000 0.00000 -0.02969 174 4PZ -0.01388 0.02948 0.00000 0.00000 -0.03594 175 9 H 1S 0.03512 0.00000 0.00000 0.00000 -0.04436 176 2S -1.18346 0.00000 0.00000 0.00000 -0.45813 177 3S 0.08691 0.00000 0.00000 0.00000 1.02181 178 4PX 0.00000 0.00000 -0.13932 0.16178 0.00000 179 4PY 0.00000 -0.06383 0.00000 0.00000 0.00000 180 4PZ -0.03420 0.00000 0.00000 0.00000 0.00011 181 10 H 1S 0.07609 -0.00612 0.00000 0.00000 -0.00670 182 2S 0.01202 0.19415 0.00000 0.00000 0.25387 183 3S 0.70558 0.23254 0.00000 0.00000 0.21618 184 4PX 0.00000 0.00000 0.12207 0.06506 0.00000 185 4PY 0.05380 0.02069 0.00000 0.00000 0.02969 186 4PZ -0.01388 -0.02948 0.00000 0.00000 -0.03594 187 11 H 1S 0.02836 0.01256 0.00000 0.00000 -0.00950 188 2S -0.80600 -0.42129 0.00000 0.00000 0.36736 189 3S 0.28910 -0.98352 0.00000 0.00000 -0.88705 190 4PX 0.00000 0.00000 -0.00774 -0.01258 0.00000 191 4PY -0.05254 0.03570 0.00000 0.00000 -0.01113 192 4PZ -0.00646 0.04688 0.00000 0.00000 0.05324 101 102 103 104 105 (A1)--V (B2)--V (A2)--V (A1)--V (B2)--V Eigenvalues -- 1.31597 1.31621 1.31651 1.34039 1.35876 1 1 C 1S -0.01492 -0.02314 0.00000 -0.00572 -0.00770 2 2S -0.03219 -0.05554 0.00000 -0.00738 -0.00900 3 2PX 0.00000 0.00000 0.08119 0.00000 0.00000 4 2PY 0.09504 -0.04864 0.00000 0.00873 0.09027 5 2PZ 0.10624 -0.10720 0.00000 -0.07858 -0.02660 6 3S 0.54417 0.65005 0.00000 -0.15544 -0.17966 7 3PX 0.00000 0.00000 0.26794 0.00000 0.00000 8 3PY 0.27176 -0.20449 0.00000 0.23432 0.34971 9 3PZ 0.30153 -0.53986 0.00000 -0.24142 0.00574 10 4S -7.64106 1.76119 0.00000 3.68070 2.07512 11 4PX 0.00000 0.00000 0.57030 0.00000 0.00000 12 4PY -1.18399 -1.00295 0.00000 2.49256 0.59030 13 4PZ 4.68681 -2.55171 0.00000 -0.37889 -2.86667 14 5S -0.56040 2.76398 0.00000 3.46134 -1.98410 15 5PX 0.00000 0.00000 -0.18469 0.00000 0.00000 16 5PY 0.05696 -1.66160 0.00000 -0.07861 -1.94255 17 5PZ 0.13952 -1.66253 0.00000 -0.76996 -1.02470 18 6D 0 0.00750 -0.00080 0.00000 -0.00193 -0.00374 19 6D+1 0.00000 0.00000 0.00512 0.00000 0.00000 20 6D-1 0.00217 0.00173 0.00000 0.01923 0.03629 21 6D+2 0.01845 -0.00457 0.00000 0.01376 0.01767 22 6D-2 0.00000 0.00000 -0.00789 0.00000 0.00000 23 7D 0 -1.25146 0.45693 0.00000 0.38866 0.75154 24 7D+1 0.00000 0.00000 -0.37538 0.00000 0.00000 25 7D-1 0.36346 -0.72968 0.00000 1.22998 -0.01513 26 7D+2 -0.17329 0.34623 0.00000 -0.02875 0.17861 27 7D-2 0.00000 0.00000 0.10401 0.00000 0.00000 28 2 C 1S -0.00562 0.01317 0.00000 0.00070 0.00707 29 2S -0.01065 0.02258 0.00000 -0.00282 0.02340 30 2PX 0.00000 0.00000 0.04135 0.00000 0.00000 31 2PY 0.06213 -0.08127 0.00000 0.00500 0.02832 32 2PZ 0.00122 -0.03419 0.00000 -0.10796 -0.04101 33 3S -0.29587 0.27464 0.00000 0.20490 -0.20089 34 3PX 0.00000 0.00000 0.19009 0.00000 0.00000 35 3PY 0.15913 -0.60262 0.00000 0.17006 0.13961 36 3PZ 0.45887 0.00364 0.00000 -0.67235 -0.16098 37 4S 13.72435 -9.41165 0.00000 -3.55451 -7.27738 38 4PX 0.00000 0.00000 0.12764 0.00000 0.00000 39 4PY 5.70080 -3.60270 0.00000 -2.55094 -1.84197 40 4PZ 3.19652 -0.88198 0.00000 -0.06534 -0.49210 41 5S 2.57960 9.88182 0.00000 -0.90017 9.41894 42 5PX 0.00000 0.00000 0.01474 0.00000 0.00000 43 5PY 0.59664 2.96657 0.00000 0.54235 2.29797 44 5PZ 1.30252 -5.65010 0.00000 -1.07897 -3.26300 45 6D 0 -0.00739 0.00769 0.00000 -0.01028 0.00700 46 6D+1 0.00000 0.00000 0.00689 0.00000 0.00000 47 6D-1 0.01441 0.00058 0.00000 0.00967 -0.03036 48 6D+2 0.00561 -0.00716 0.00000 -0.02016 0.02582 49 6D-2 0.00000 0.00000 -0.01200 0.00000 0.00000 50 7D 0 0.30877 -0.58422 0.00000 -0.06717 0.38580 51 7D+1 0.00000 0.00000 -1.11994 0.00000 0.00000 52 7D-1 -0.25548 0.38761 0.00000 0.75545 -1.04854 53 7D+2 -0.70581 0.81487 0.00000 0.10019 0.81568 54 7D-2 0.00000 0.00000 0.65737 0.00000 0.00000 55 3 C 1S 0.02999 0.00000 0.00000 -0.00042 0.00000 56 2S 0.06779 0.00000 0.00000 -0.01241 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 -0.17648 0.00000 0.00000 0.03098 59 2PZ -0.07847 0.00000 0.00000 -0.06016 0.00000 60 3S -0.46298 0.00000 0.00000 0.32839 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 -1.12534 0.00000 0.00000 0.30735 63 3PZ -0.52372 0.00000 0.00000 -0.23804 0.00000 64 4S -12.55190 0.00000 0.00000 5.93976 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 -5.13770 0.00000 0.00000 -3.36605 67 4PZ -6.10012 0.00000 0.00000 1.37412 0.00000 68 5S -2.83064 0.00000 0.00000 -4.27947 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 9.91478 0.00000 0.00000 6.47580 71 5PZ -1.85092 0.00000 0.00000 -0.11852 0.00000 72 6D 0 0.01170 0.00000 0.00000 0.05133 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00137 0.00000 0.00000 0.01401 75 6D+2 -0.00570 0.00000 0.00000 0.00183 0.00000 76 6D-2 0.00000 0.00000 -0.01289 0.00000 0.00000 77 7D 0 -0.08428 0.00000 0.00000 0.94445 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 -1.35935 0.00000 0.00000 -0.97318 80 7D+2 0.28752 0.00000 0.00000 0.43801 0.00000 81 7D-2 0.00000 0.00000 1.63924 0.00000 0.00000 82 4 C 1S -0.00562 -0.01317 0.00000 0.00070 -0.00707 83 2S -0.01065 -0.02258 0.00000 -0.00282 -0.02340 84 2PX 0.00000 0.00000 -0.04135 0.00000 0.00000 85 2PY -0.06213 -0.08127 0.00000 -0.00500 0.02832 86 2PZ 0.00122 0.03419 0.00000 -0.10796 0.04101 87 3S -0.29587 -0.27464 0.00000 0.20490 0.20089 88 3PX 0.00000 0.00000 -0.19009 0.00000 0.00000 89 3PY -0.15913 -0.60262 0.00000 -0.17006 0.13961 90 3PZ 0.45887 -0.00364 0.00000 -0.67235 0.16098 91 4S 13.72435 9.41165 0.00000 -3.55451 7.27738 92 4PX 0.00000 0.00000 -0.12764 0.00000 0.00000 93 4PY -5.70080 -3.60270 0.00000 2.55094 -1.84197 94 4PZ 3.19652 0.88198 0.00000 -0.06534 0.49210 95 5S 2.57960 -9.88182 0.00000 -0.90017 -9.41894 96 5PX 0.00000 0.00000 -0.01474 0.00000 0.00000 97 5PY -0.59664 2.96657 0.00000 -0.54235 2.29797 98 5PZ 1.30252 5.65010 0.00000 -1.07897 3.26300 99 6D 0 -0.00739 -0.00769 0.00000 -0.01028 -0.00700 100 6D+1 0.00000 0.00000 -0.00689 0.00000 0.00000 101 6D-1 -0.01441 0.00058 0.00000 -0.00967 -0.03036 102 6D+2 0.00561 0.00716 0.00000 -0.02016 -0.02582 103 6D-2 0.00000 0.00000 -0.01200 0.00000 0.00000 104 7D 0 0.30877 0.58422 0.00000 -0.06717 -0.38580 105 7D+1 0.00000 0.00000 1.11994 0.00000 0.00000 106 7D-1 0.25548 0.38761 0.00000 -0.75545 -1.04854 107 7D+2 -0.70581 -0.81487 0.00000 0.10019 -0.81568 108 7D-2 0.00000 0.00000 0.65737 0.00000 0.00000 109 5 C 1S -0.01492 0.02314 0.00000 -0.00572 0.00770 110 2S -0.03219 0.05554 0.00000 -0.00738 0.00900 111 2PX 0.00000 0.00000 -0.08119 0.00000 0.00000 112 2PY -0.09504 -0.04864 0.00000 -0.00873 0.09027 113 2PZ 0.10624 0.10720 0.00000 -0.07858 0.02660 114 3S 0.54417 -0.65005 0.00000 -0.15544 0.17966 115 3PX 0.00000 0.00000 -0.26794 0.00000 0.00000 116 3PY -0.27176 -0.20449 0.00000 -0.23432 0.34971 117 3PZ 0.30153 0.53986 0.00000 -0.24142 -0.00574 118 4S -7.64106 -1.76119 0.00000 3.68070 -2.07512 119 4PX 0.00000 0.00000 -0.57030 0.00000 0.00000 120 4PY 1.18399 -1.00295 0.00000 -2.49256 0.59030 121 4PZ 4.68681 2.55171 0.00000 -0.37889 2.86667 122 5S -0.56040 -2.76398 0.00000 3.46134 1.98410 123 5PX 0.00000 0.00000 0.18469 0.00000 0.00000 124 5PY -0.05696 -1.66160 0.00000 0.07861 -1.94255 125 5PZ 0.13952 1.66253 0.00000 -0.76996 1.02470 126 6D 0 0.00750 0.00080 0.00000 -0.00193 0.00374 127 6D+1 0.00000 0.00000 -0.00512 0.00000 0.00000 128 6D-1 -0.00217 0.00173 0.00000 -0.01923 0.03629 129 6D+2 0.01845 0.00457 0.00000 0.01376 -0.01767 130 6D-2 0.00000 0.00000 -0.00789 0.00000 0.00000 131 7D 0 -1.25146 -0.45693 0.00000 0.38866 -0.75154 132 7D+1 0.00000 0.00000 0.37538 0.00000 0.00000 133 7D-1 -0.36346 -0.72968 0.00000 -1.22998 -0.01513 134 7D+2 -0.17329 -0.34623 0.00000 -0.02875 -0.17861 135 7D-2 0.00000 0.00000 0.10401 0.00000 0.00000 136 6 N 1S 0.05200 0.00000 0.00000 -0.00557 0.00000 137 2S 0.10797 0.00000 0.00000 -0.01049 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 -0.08418 0.00000 0.00000 0.07466 140 2PZ 0.06159 0.00000 0.00000 -0.09869 0.00000 141 3S -0.90294 0.00000 0.00000 0.16957 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 -0.54544 0.00000 0.00000 0.15886 144 3PZ 0.28341 0.00000 0.00000 -0.16789 0.00000 145 4S 1.45987 0.00000 0.00000 -5.50435 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 -0.95702 0.00000 0.00000 -0.22545 148 4PZ -0.31286 0.00000 0.00000 1.72607 0.00000 149 5S -2.15689 0.00000 0.00000 -2.47209 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 -2.03508 0.00000 0.00000 -2.58437 152 5PZ 0.13129 0.00000 0.00000 0.69301 0.00000 153 6D 0 -0.00426 0.00000 0.00000 -0.03060 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.00410 0.00000 0.00000 0.00167 156 6D+2 0.00653 0.00000 0.00000 -0.02222 0.00000 157 6D-2 0.00000 0.00000 0.01209 0.00000 0.00000 158 7D 0 -0.49266 0.00000 0.00000 -0.05127 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.17040 0.00000 0.00000 0.03134 161 7D+2 0.18349 0.00000 0.00000 0.04709 0.00000 162 7D-2 0.00000 0.00000 0.52980 0.00000 0.00000 163 7 H 1S -0.05723 -0.05696 0.00000 -0.06958 0.04869 164 2S 0.20252 0.46044 0.00000 1.37183 -0.78928 165 3S -0.89824 0.19205 0.00000 -0.14945 0.25498 166 4PX 0.00000 0.00000 -0.10787 0.00000 0.00000 167 4PY 0.05782 0.00333 0.00000 -0.00991 0.00243 168 4PZ -0.10575 -0.04483 0.00000 -0.07863 -0.11420 169 8 H 1S 0.02768 -0.05735 0.00000 0.03966 0.12782 170 2S 0.10325 0.03761 0.00000 -0.85432 -1.95237 171 3S 1.70619 1.06242 0.00000 -0.13196 1.52285 172 4PX 0.00000 0.00000 -0.12744 0.00000 0.00000 173 4PY 0.03209 -0.02934 0.00000 -0.06480 0.04681 174 4PZ 0.02579 -0.02578 0.00000 -0.08112 0.01647 175 9 H 1S -0.03114 0.00000 0.00000 0.14729 0.00000 176 2S -0.33998 0.00000 0.00000 -1.65348 0.00000 177 3S -1.24128 0.00000 0.00000 1.11600 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00076 0.00000 0.00000 0.12527 180 4PZ 0.02300 0.00000 0.00000 0.00234 0.00000 181 10 H 1S 0.02768 0.05735 0.00000 0.03966 -0.12782 182 2S 0.10325 -0.03761 0.00000 -0.85432 1.95237 183 3S 1.70619 -1.06242 0.00000 -0.13196 -1.52285 184 4PX 0.00000 0.00000 0.12744 0.00000 0.00000 185 4PY -0.03209 -0.02934 0.00000 0.06480 0.04681 186 4PZ 0.02579 0.02578 0.00000 -0.08112 -0.01647 187 11 H 1S -0.05723 0.05696 0.00000 -0.06958 -0.04869 188 2S 0.20252 -0.46044 0.00000 1.37183 0.78928 189 3S -0.89824 -0.19205 0.00000 -0.14945 -0.25498 190 4PX 0.00000 0.00000 0.10787 0.00000 0.00000 191 4PY -0.05782 0.00333 0.00000 0.00991 0.00243 192 4PZ -0.10575 0.04483 0.00000 -0.07863 0.11420 106 107 108 109 110 (A1)--V (B2)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 1.40633 1.40643 1.46030 1.47109 1.49006 1 1 C 1S 0.00189 -0.00174 0.01538 0.00000 -0.01156 2 2S -0.00093 -0.00804 0.02935 0.00000 -0.03083 3 2PX 0.00000 0.00000 0.00000 -0.10897 0.00000 4 2PY 0.02527 -0.00508 -0.06317 0.00000 -0.09846 5 2PZ 0.09139 0.09797 0.01832 0.00000 -0.00097 6 3S 0.04459 0.61395 -0.09733 0.00000 0.85215 7 3PX 0.00000 0.00000 0.00000 -0.18017 0.00000 8 3PY 0.29297 -0.03042 -0.19721 0.00000 0.17763 9 3PZ 0.38123 0.16547 0.15208 0.00000 -0.09589 10 4S 3.26307 -10.06659 -1.25405 0.00000 -8.03314 11 4PX 0.00000 0.00000 0.00000 -1.20377 0.00000 12 4PY 3.98107 -1.56242 0.51553 0.00000 -3.44337 13 4PZ 2.00456 4.18379 0.95468 0.00000 0.70591 14 5S 3.00418 10.98456 8.18182 0.00000 9.83799 15 5PX 0.00000 0.00000 0.00000 0.26713 0.00000 16 5PY 0.05516 -1.73291 -0.02287 0.00000 -2.66515 17 5PZ -0.69899 -3.04446 -1.89214 0.00000 -4.17516 18 6D 0 -0.00193 0.00892 0.01715 0.00000 -0.00134 19 6D+1 0.00000 0.00000 0.00000 0.01211 0.00000 20 6D-1 0.00489 0.01880 -0.01258 0.00000 -0.00174 21 6D+2 -0.00825 0.02225 0.00168 0.00000 0.01106 22 6D-2 0.00000 0.00000 0.00000 0.00748 0.00000 23 7D 0 -1.07794 -1.20060 -0.02219 0.00000 0.22580 24 7D+1 0.00000 0.00000 0.00000 -0.05885 0.00000 25 7D-1 0.48102 0.52049 1.25737 0.00000 1.01091 26 7D+2 -0.25934 0.74227 0.49641 0.00000 1.49426 27 7D-2 0.00000 0.00000 0.00000 -0.62450 0.00000 28 2 C 1S -0.03252 -0.03355 -0.00537 0.00000 0.02518 29 2S -0.07803 -0.07570 -0.00638 0.00000 0.06360 30 2PX 0.00000 0.00000 0.00000 0.03235 0.00000 31 2PY -0.04916 0.01515 0.09490 0.00000 0.08075 32 2PZ 0.06223 0.10772 0.08828 0.00000 0.01217 33 3S 1.13072 0.75722 -0.44866 0.00000 -1.21075 34 3PX 0.00000 0.00000 0.00000 -0.02391 0.00000 35 3PY -0.06851 -0.05856 0.01662 0.00000 -0.31667 36 3PZ 0.73414 0.90813 0.16276 0.00000 -0.16143 37 4S -6.74608 2.44365 5.73616 0.00000 6.43690 38 4PX 0.00000 0.00000 0.00000 0.77662 0.00000 39 4PY -6.36870 -1.47072 1.30611 0.00000 3.00376 40 4PZ 0.91449 5.33259 1.22331 0.00000 1.38447 41 5S 0.91621 2.26838 -18.42298 0.00000 -8.37509 42 5PX 0.00000 0.00000 0.00000 -0.24641 0.00000 43 5PY 0.57656 3.54704 -2.10739 0.00000 1.94368 44 5PZ -1.66000 -6.40078 -0.97632 0.00000 -5.11840 45 6D 0 -0.00710 -0.00065 0.02330 0.00000 0.00134 46 6D+1 0.00000 0.00000 0.00000 -0.00195 0.00000 47 6D-1 -0.00759 -0.02175 -0.00283 0.00000 -0.01023 48 6D+2 -0.00865 0.02000 0.00514 0.00000 -0.02228 49 6D-2 0.00000 0.00000 0.00000 -0.00070 0.00000 50 7D 0 0.57857 0.77170 -0.62938 0.00000 -0.01308 51 7D+1 0.00000 0.00000 0.00000 0.17527 0.00000 52 7D-1 0.34757 0.69848 2.22502 0.00000 0.90102 53 7D+2 0.70059 0.49512 -1.67426 0.00000 -1.42434 54 7D-2 0.00000 0.00000 0.00000 0.24195 0.00000 55 3 C 1S 0.00084 0.00000 -0.00565 0.00000 0.00000 56 2S -0.00134 0.00000 -0.02078 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.01763 0.00000 58 2PY 0.00000 0.00894 0.00000 0.00000 -0.03344 59 2PZ 0.04933 0.00000 -0.15241 0.00000 0.00000 60 3S -0.36158 0.00000 0.88345 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.02926 0.00000 62 3PY 0.00000 -0.61708 0.00000 0.00000 0.40416 63 3PZ 0.29372 0.00000 0.08332 0.00000 0.00000 64 4S 16.00284 0.00000 -6.34919 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 -0.57968 0.00000 66 4PY 0.00000 -4.45876 0.00000 0.00000 0.63575 67 4PZ 6.84375 0.00000 -2.66454 0.00000 0.00000 68 5S -6.87524 0.00000 20.95020 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.20399 0.00000 70 5PY 0.00000 7.56286 0.00000 0.00000 3.59222 71 5PZ 0.17016 0.00000 2.88285 0.00000 0.00000 72 6D 0 0.01146 0.00000 0.01443 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.00016 0.00000 74 6D-1 0.00000 -0.00286 0.00000 0.00000 -0.02512 75 6D+2 -0.00454 0.00000 0.02075 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.89764 0.00000 -3.46527 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.20335 0.00000 79 7D-1 0.00000 -0.73492 0.00000 0.00000 -0.08276 80 7D+2 -0.44189 0.00000 -0.35687 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.03252 0.03355 -0.00537 0.00000 -0.02518 83 2S -0.07803 0.07570 -0.00638 0.00000 -0.06360 84 2PX 0.00000 0.00000 0.00000 0.03235 0.00000 85 2PY 0.04916 0.01515 -0.09490 0.00000 0.08075 86 2PZ 0.06223 -0.10772 0.08828 0.00000 -0.01217 87 3S 1.13072 -0.75722 -0.44866 0.00000 1.21075 88 3PX 0.00000 0.00000 0.00000 -0.02391 0.00000 89 3PY 0.06851 -0.05856 -0.01662 0.00000 -0.31667 90 3PZ 0.73414 -0.90813 0.16276 0.00000 0.16143 91 4S -6.74608 -2.44365 5.73616 0.00000 -6.43690 92 4PX 0.00000 0.00000 0.00000 0.77662 0.00000 93 4PY 6.36870 -1.47072 -1.30611 0.00000 3.00376 94 4PZ 0.91449 -5.33259 1.22331 0.00000 -1.38447 95 5S 0.91621 -2.26838 -18.42298 0.00000 8.37509 96 5PX 0.00000 0.00000 0.00000 -0.24641 0.00000 97 5PY -0.57656 3.54704 2.10739 0.00000 1.94368 98 5PZ -1.66000 6.40078 -0.97632 0.00000 5.11840 99 6D 0 -0.00710 0.00065 0.02330 0.00000 -0.00134 100 6D+1 0.00000 0.00000 0.00000 -0.00195 0.00000 101 6D-1 0.00759 -0.02175 0.00283 0.00000 -0.01023 102 6D+2 -0.00865 -0.02000 0.00514 0.00000 0.02228 103 6D-2 0.00000 0.00000 0.00000 0.00070 0.00000 104 7D 0 0.57857 -0.77170 -0.62938 0.00000 0.01308 105 7D+1 0.00000 0.00000 0.00000 0.17527 0.00000 106 7D-1 -0.34757 0.69848 -2.22502 0.00000 0.90102 107 7D+2 0.70059 -0.49512 -1.67426 0.00000 1.42434 108 7D-2 0.00000 0.00000 0.00000 -0.24195 0.00000 109 5 C 1S 0.00189 0.00174 0.01538 0.00000 0.01156 110 2S -0.00093 0.00804 0.02935 0.00000 0.03083 111 2PX 0.00000 0.00000 0.00000 -0.10897 0.00000 112 2PY -0.02527 -0.00508 0.06317 0.00000 -0.09846 113 2PZ 0.09139 -0.09797 0.01832 0.00000 0.00097 114 3S 0.04459 -0.61395 -0.09733 0.00000 -0.85215 115 3PX 0.00000 0.00000 0.00000 -0.18017 0.00000 116 3PY -0.29297 -0.03042 0.19721 0.00000 0.17763 117 3PZ 0.38123 -0.16547 0.15208 0.00000 0.09589 118 4S 3.26307 10.06659 -1.25405 0.00000 8.03314 119 4PX 0.00000 0.00000 0.00000 -1.20377 0.00000 120 4PY -3.98107 -1.56242 -0.51553 0.00000 -3.44337 121 4PZ 2.00456 -4.18379 0.95468 0.00000 -0.70591 122 5S 3.00418 -10.98456 8.18182 0.00000 -9.83799 123 5PX 0.00000 0.00000 0.00000 0.26713 0.00000 124 5PY -0.05516 -1.73291 0.02287 0.00000 -2.66515 125 5PZ -0.69899 3.04446 -1.89214 0.00000 4.17516 126 6D 0 -0.00193 -0.00892 0.01715 0.00000 0.00134 127 6D+1 0.00000 0.00000 0.00000 0.01211 0.00000 128 6D-1 -0.00489 0.01880 0.01258 0.00000 -0.00174 129 6D+2 -0.00825 -0.02225 0.00168 0.00000 -0.01106 130 6D-2 0.00000 0.00000 0.00000 -0.00748 0.00000 131 7D 0 -1.07794 1.20060 -0.02219 0.00000 -0.22580 132 7D+1 0.00000 0.00000 0.00000 -0.05885 0.00000 133 7D-1 -0.48102 0.52049 -1.25737 0.00000 1.01091 134 7D+2 -0.25934 -0.74227 0.49641 0.00000 -1.49426 135 7D-2 0.00000 0.00000 0.00000 0.62450 0.00000 136 6 N 1S -0.05283 0.00000 -0.02539 0.00000 0.00000 137 2S -0.11540 0.00000 -0.04855 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.04147 0.00000 139 2PY 0.00000 0.00869 0.00000 0.00000 -0.04586 140 2PZ 0.06271 0.00000 -0.07350 0.00000 0.00000 141 3S 1.28605 0.00000 0.35664 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 -0.16280 0.00000 143 3PY 0.00000 0.00632 0.00000 0.00000 -0.19513 144 3PZ 0.33551 0.00000 -0.23540 0.00000 0.00000 145 4S -9.46740 0.00000 -2.26008 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 1.85084 0.00000 147 4PY 0.00000 -1.79385 0.00000 0.00000 -1.29010 148 4PZ 2.30553 0.00000 0.49802 0.00000 0.00000 149 5S -2.88661 0.00000 -1.25128 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.16618 0.00000 151 5PY 0.00000 0.28222 0.00000 0.00000 -2.95333 152 5PZ 0.59103 0.00000 0.37168 0.00000 0.00000 153 6D 0 0.00897 0.00000 -0.01635 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00768 0.00000 155 6D-1 0.00000 0.00235 0.00000 0.00000 -0.01830 156 6D+2 -0.01265 0.00000 -0.00439 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.30497 0.00000 0.42515 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 -1.16367 0.00000 160 7D-1 0.00000 0.36242 0.00000 0.00000 0.23808 161 7D+2 -0.05735 0.00000 0.09014 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.04998 0.04789 -0.01598 0.00000 0.13484 164 2S 0.27973 -1.09976 1.24541 0.00000 -2.18573 165 3S 0.49991 1.53358 -0.58388 0.00000 2.65274 166 4PX 0.00000 0.00000 0.00000 0.31625 0.00000 167 4PY 0.01108 -0.04859 -0.10044 0.00000 0.20151 168 4PZ -0.03283 0.08770 -0.00545 0.00000 -0.05551 169 8 H 1S -0.07189 0.00723 0.13166 0.00000 -0.15268 170 2S -0.16587 -0.15537 -3.13042 0.00000 1.91782 171 3S -1.54034 -0.12834 2.08172 0.00000 -2.04661 172 4PX 0.00000 0.00000 0.00000 -0.11744 0.00000 173 4PY -0.09021 -0.03065 0.15973 0.00000 -0.14389 174 4PZ 0.05149 0.04244 -0.12921 0.00000 0.02099 175 9 H 1S 0.07927 0.00000 -0.18656 0.00000 0.00000 176 2S -0.79410 0.00000 3.72752 0.00000 0.00000 177 3S 2.41600 0.00000 -2.75512 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.02393 0.00000 179 4PY 0.00000 -0.04720 0.00000 0.00000 0.17729 180 4PZ -0.04213 0.00000 0.28697 0.00000 0.00000 181 10 H 1S -0.07189 -0.00723 0.13166 0.00000 0.15268 182 2S -0.16587 0.15537 -3.13042 0.00000 -1.91782 183 3S -1.54034 0.12834 2.08172 0.00000 2.04661 184 4PX 0.00000 0.00000 0.00000 -0.11744 0.00000 185 4PY 0.09021 -0.03065 -0.15973 0.00000 -0.14389 186 4PZ 0.05149 -0.04244 -0.12921 0.00000 -0.02099 187 11 H 1S 0.04998 -0.04789 -0.01598 0.00000 -0.13484 188 2S 0.27973 1.09976 1.24541 0.00000 2.18573 189 3S 0.49991 -1.53358 -0.58388 0.00000 -2.65274 190 4PX 0.00000 0.00000 0.00000 0.31625 0.00000 191 4PY -0.01108 -0.04859 0.10044 0.00000 0.20151 192 4PZ -0.03283 -0.08770 -0.00545 0.00000 0.05551 111 112 113 114 115 (A1)--V (B2)--V (B2)--V (A1)--V (B1)--V Eigenvalues -- 1.49408 1.52344 1.58720 1.61214 1.64200 1 1 C 1S -0.01790 -0.02733 -0.02562 -0.01087 0.00000 2 2S -0.04446 -0.06594 -0.04944 -0.02604 0.00000 3 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 4 2PY -0.04640 -0.01206 0.00882 -0.03119 0.00000 5 2PZ -0.08124 -0.04317 0.02952 -0.06947 0.00000 6 3S 0.71032 0.90970 0.24202 0.22742 0.00000 7 3PX 0.00000 0.00000 0.00000 0.00000 0.01282 8 3PY 0.00023 -0.02186 0.32041 -0.22765 0.00000 9 3PZ -0.41587 -0.79680 -0.31169 -0.73437 0.00000 10 4S -1.05012 0.88377 3.89210 7.59146 0.00000 11 4PX 0.00000 0.00000 0.00000 0.00000 -0.04048 12 4PY -1.25902 -2.91592 1.57449 2.03578 0.00000 13 4PZ -1.29815 -3.66578 0.98867 -1.16619 0.00000 14 5S -3.77749 -7.24037 -0.58955 2.96568 0.00000 15 5PX 0.00000 0.00000 0.00000 0.00000 -0.05957 16 5PY -0.23586 -0.73638 -1.27568 -0.06841 0.00000 17 5PZ 0.89631 0.43513 -0.43143 -0.74183 0.00000 18 6D 0 -0.00823 0.00573 -0.00048 0.01620 0.00000 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00223 20 6D-1 0.01761 0.01345 -0.00358 -0.01550 0.00000 21 6D+2 0.00818 0.01683 0.01149 0.00171 0.00000 22 6D-2 0.00000 0.00000 0.00000 0.00000 -0.03018 23 7D 0 0.03929 0.40825 0.80724 0.35028 0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00000 -0.25997 25 7D-1 -0.31211 -0.17324 2.14079 1.17341 0.00000 26 7D+2 0.80447 0.69375 -0.23854 -0.34857 0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.11149 28 2 C 1S 0.00602 -0.03106 0.01501 0.02147 0.00000 29 2S 0.01622 -0.07511 0.02904 0.04314 0.00000 30 2PX 0.00000 0.00000 0.00000 0.00000 -0.06148 31 2PY 0.04617 0.09479 0.05637 -0.02913 0.00000 32 2PZ -0.10287 -0.11085 -0.03828 0.05518 0.00000 33 3S -0.21254 0.93630 -0.13053 -0.12413 0.00000 34 3PX 0.00000 0.00000 0.00000 0.00000 -0.09123 35 3PY -0.18632 0.65383 -0.01115 -0.63897 0.00000 36 3PZ 0.04934 -0.39824 -0.59148 0.37865 0.00000 37 4S -1.65812 1.74082 -2.65475 -10.54257 0.00000 38 4PX 0.00000 0.00000 0.00000 0.00000 -0.20227 39 4PY 0.04170 3.22152 -0.98079 -3.26422 0.00000 40 4PZ -2.02190 -5.98101 0.78157 -1.01358 0.00000 41 5S 5.77175 -3.87774 0.81305 -0.40865 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00000 0.12187 43 5PY 0.51529 -1.34121 0.88603 0.83862 0.00000 44 5PZ 0.85317 3.38533 -0.71142 -0.86286 0.00000 45 6D 0 0.00434 0.01075 -0.00948 0.02469 0.00000 46 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00500 47 6D-1 0.01746 -0.01164 -0.02626 -0.00219 0.00000 48 6D+2 -0.00728 0.01560 -0.01640 0.01297 0.00000 49 6D-2 0.00000 0.00000 0.00000 0.00000 -0.01359 50 7D 0 -0.39524 -1.20410 -0.76219 -1.84312 0.00000 51 7D+1 0.00000 0.00000 0.00000 0.00000 -0.04009 52 7D-1 -0.59650 -0.66406 1.67829 2.06122 0.00000 53 7D+2 -0.46969 -0.46479 0.03734 0.11717 0.00000 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.25555 55 3 C 1S 0.05721 0.00000 0.00000 -0.03022 0.00000 56 2S 0.13746 0.00000 0.00000 -0.06182 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 -0.06580 58 2PY 0.00000 0.19101 -0.11106 0.00000 0.00000 59 2PZ -0.01294 0.00000 0.00000 -0.02182 0.00000 60 3S -1.84475 0.00000 0.00000 0.29492 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 -0.10793 62 3PY 0.00000 0.69056 -1.02487 0.00000 0.00000 63 3PZ -0.71290 0.00000 0.00000 0.54512 0.00000 64 4S 1.03882 0.00000 0.00000 12.70493 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 -0.19361 66 4PY 0.00000 8.03457 -1.82357 0.00000 0.00000 67 4PZ 2.09077 0.00000 0.00000 3.47320 0.00000 68 5S -5.24990 0.00000 0.00000 -3.87657 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 -0.01921 70 5PY 0.00000 -5.33716 1.21720 0.00000 0.00000 71 5PZ -1.03600 0.00000 0.00000 -0.59981 0.00000 72 6D 0 0.03118 0.00000 0.00000 0.02076 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.01705 74 6D-1 0.00000 -0.02025 -0.04435 0.00000 0.00000 75 6D+2 -0.00873 0.00000 0.00000 0.02017 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.61220 0.00000 0.00000 -2.16577 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.23230 79 7D-1 0.00000 1.82649 0.11690 0.00000 0.00000 80 7D+2 -0.39411 0.00000 0.00000 -2.60851 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00602 0.03106 -0.01501 0.02147 0.00000 83 2S 0.01622 0.07511 -0.02904 0.04314 0.00000 84 2PX 0.00000 0.00000 0.00000 0.00000 -0.06148 85 2PY -0.04617 0.09479 0.05637 0.02913 0.00000 86 2PZ -0.10287 0.11085 0.03828 0.05518 0.00000 87 3S -0.21254 -0.93630 0.13053 -0.12413 0.00000 88 3PX 0.00000 0.00000 0.00000 0.00000 -0.09123 89 3PY 0.18632 0.65383 -0.01115 0.63897 0.00000 90 3PZ 0.04934 0.39824 0.59148 0.37865 0.00000 91 4S -1.65812 -1.74082 2.65475 -10.54257 0.00000 92 4PX 0.00000 0.00000 0.00000 0.00000 -0.20227 93 4PY -0.04170 3.22152 -0.98079 3.26422 0.00000 94 4PZ -2.02190 5.98101 -0.78157 -1.01358 0.00000 95 5S 5.77175 3.87774 -0.81305 -0.40865 0.00000 96 5PX 0.00000 0.00000 0.00000 0.00000 0.12187 97 5PY -0.51529 -1.34121 0.88603 -0.83862 0.00000 98 5PZ 0.85317 -3.38533 0.71142 -0.86286 0.00000 99 6D 0 0.00434 -0.01075 0.00948 0.02469 0.00000 100 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00500 101 6D-1 -0.01746 -0.01164 -0.02626 0.00219 0.00000 102 6D+2 -0.00728 -0.01560 0.01640 0.01297 0.00000 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.01359 104 7D 0 -0.39524 1.20410 0.76219 -1.84312 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 -0.04009 106 7D-1 0.59650 -0.66406 1.67829 -2.06122 0.00000 107 7D+2 -0.46969 0.46479 -0.03734 0.11717 0.00000 108 7D-2 0.00000 0.00000 0.00000 0.00000 -0.25555 109 5 C 1S -0.01790 0.02733 0.02562 -0.01087 0.00000 110 2S -0.04446 0.06594 0.04944 -0.02604 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 -0.00023 112 2PY 0.04640 -0.01206 0.00882 0.03119 0.00000 113 2PZ -0.08124 0.04317 -0.02952 -0.06947 0.00000 114 3S 0.71032 -0.90970 -0.24202 0.22742 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.01282 116 3PY -0.00023 -0.02186 0.32041 0.22765 0.00000 117 3PZ -0.41587 0.79680 0.31169 -0.73437 0.00000 118 4S -1.05012 -0.88377 -3.89210 7.59146 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 -0.04048 120 4PY 1.25902 -2.91592 1.57449 -2.03578 0.00000 121 4PZ -1.29815 3.66578 -0.98867 -1.16619 0.00000 122 5S -3.77749 7.24037 0.58955 2.96568 0.00000 123 5PX 0.00000 0.00000 0.00000 0.00000 -0.05957 124 5PY 0.23586 -0.73638 -1.27568 0.06841 0.00000 125 5PZ 0.89631 -0.43513 0.43143 -0.74183 0.00000 126 6D 0 -0.00823 -0.00573 0.00048 0.01620 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00223 128 6D-1 -0.01761 0.01345 -0.00358 0.01550 0.00000 129 6D+2 0.00818 -0.01683 -0.01149 0.00171 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.03018 131 7D 0 0.03929 -0.40825 -0.80724 0.35028 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 -0.25997 133 7D-1 0.31211 -0.17324 2.14079 -1.17341 0.00000 134 7D+2 0.80447 -0.69375 0.23854 -0.34857 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 -0.11149 136 6 N 1S -0.03121 0.00000 0.00000 0.00015 0.00000 137 2S -0.06369 0.00000 0.00000 0.00272 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.03547 139 2PY 0.00000 0.01133 0.11868 0.00000 0.00000 140 2PZ -0.07773 0.00000 0.00000 -0.04613 0.00000 141 3S 0.45761 0.00000 0.00000 -0.02816 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.02977 143 3PY 0.00000 -0.15684 0.73279 0.00000 0.00000 144 3PZ -0.36649 0.00000 0.00000 -0.00269 0.00000 145 4S 3.43654 0.00000 0.00000 -5.66216 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 -0.00789 147 4PY 0.00000 -2.73896 3.71798 0.00000 0.00000 148 4PZ -0.66626 0.00000 0.00000 1.57228 0.00000 149 5S 2.73510 0.00000 0.00000 -3.07934 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.07606 151 5PY 0.00000 -2.63638 -0.60245 0.00000 0.00000 152 5PZ -0.76335 0.00000 0.00000 1.11067 0.00000 153 6D 0 -0.00409 0.00000 0.00000 -0.01558 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00998 155 6D-1 0.00000 -0.00881 -0.00747 0.00000 0.00000 156 6D+2 0.00323 0.00000 0.00000 -0.01689 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.19239 0.00000 0.00000 0.03656 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.19644 160 7D-1 0.00000 0.33017 -0.20177 0.00000 0.00000 161 7D+2 -0.21682 0.00000 0.00000 -0.11860 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.04040 0.05518 0.16439 0.00986 0.00000 164 2S 0.58623 -0.48130 -1.49228 0.33153 0.00000 165 3S -0.34256 0.84355 1.06448 0.05530 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 0.41119 167 4PY -0.05309 -0.00226 0.08293 0.06753 0.00000 168 4PZ 0.10809 0.01380 0.10721 -0.24941 0.00000 169 8 H 1S 0.01730 0.02253 -0.11592 0.08012 0.00000 170 2S -0.18145 -0.00525 1.17525 -1.24287 0.00000 171 3S -0.33254 0.05013 -0.74820 0.33743 0.00000 172 4PX 0.00000 0.00000 0.00000 0.00000 0.57247 173 4PY 0.09445 -0.09735 -0.03411 0.21150 0.00000 174 4PZ 0.24890 -0.11905 0.22363 0.06206 0.00000 175 9 H 1S 0.10541 0.00000 0.00000 -0.12774 0.00000 176 2S -0.64119 0.00000 0.00000 1.52222 0.00000 177 3S 1.17827 0.00000 0.00000 -0.56725 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.60962 179 4PY 0.00000 -0.27359 -0.22337 0.00000 0.00000 180 4PZ -0.03155 0.00000 0.00000 0.22933 0.00000 181 10 H 1S 0.01730 -0.02253 0.11592 0.08012 0.00000 182 2S -0.18145 0.00525 -1.17525 -1.24287 0.00000 183 3S -0.33254 -0.05013 0.74820 0.33743 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 0.57247 185 4PY -0.09445 -0.09735 -0.03411 -0.21150 0.00000 186 4PZ 0.24890 0.11905 -0.22363 0.06206 0.00000 187 11 H 1S -0.04040 -0.05518 -0.16439 0.00986 0.00000 188 2S 0.58623 0.48130 1.49228 0.33153 0.00000 189 3S -0.34256 -0.84355 -1.06448 0.05530 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.41119 191 4PY 0.05309 -0.00226 0.08293 -0.06753 0.00000 192 4PZ 0.10809 -0.01380 -0.10721 -0.24941 0.00000 116 117 118 119 120 (A2)--V (A2)--V (A1)--V (B1)--V (B2)--V Eigenvalues -- 1.71516 1.81178 1.84021 1.87830 1.92069 1 1 C 1S 0.00000 0.00000 -0.00921 0.00000 -0.03270 2 2S 0.00000 0.00000 -0.02718 0.00000 -0.08246 3 2PX -0.00987 0.14469 0.00000 0.03784 0.00000 4 2PY 0.00000 0.00000 0.11792 0.00000 0.02206 5 2PZ 0.00000 0.00000 -0.11451 0.00000 0.03259 6 3S 0.00000 0.00000 0.13844 0.00000 0.84750 7 3PX 0.00609 0.11985 0.00000 -0.02344 0.00000 8 3PY 0.00000 0.00000 0.70426 0.00000 0.89900 9 3PZ 0.00000 0.00000 0.37989 0.00000 0.56847 10 4S 0.00000 0.00000 8.47731 0.00000 3.37571 11 4PX -0.19468 0.08861 0.00000 -0.09843 0.00000 12 4PY 0.00000 0.00000 3.64534 0.00000 2.33823 13 4PZ 0.00000 0.00000 -1.30508 0.00000 2.58767 14 5S 0.00000 0.00000 0.10473 0.00000 -3.76047 15 5PX 0.03854 -0.04617 0.00000 0.11363 0.00000 16 5PY 0.00000 0.00000 1.94893 0.00000 -1.22567 17 5PZ 0.00000 0.00000 0.49481 0.00000 0.14877 18 6D 0 0.00000 0.00000 0.02545 0.00000 0.03809 19 6D+1 -0.03240 -0.00631 0.00000 0.02276 0.00000 20 6D-1 0.00000 0.00000 -0.01398 0.00000 -0.00005 21 6D+2 0.00000 0.00000 -0.03161 0.00000 0.01189 22 6D-2 -0.02708 -0.03441 0.00000 0.01717 0.00000 23 7D 0 0.00000 0.00000 -0.32032 0.00000 0.03489 24 7D+1 0.93184 0.83105 0.00000 0.06018 0.00000 25 7D-1 0.00000 0.00000 -0.46229 0.00000 0.57693 26 7D+2 0.00000 0.00000 -0.89150 0.00000 -0.26724 27 7D-2 0.78745 0.24122 0.00000 -0.64077 0.00000 28 2 C 1S 0.00000 0.00000 0.00654 0.00000 0.00063 29 2S 0.00000 0.00000 0.01072 0.00000 -0.00109 30 2PX -0.05616 0.11401 0.00000 -0.02993 0.00000 31 2PY 0.00000 0.00000 -0.05996 0.00000 -0.02871 32 2PZ 0.00000 0.00000 -0.05796 0.00000 0.01724 33 3S 0.00000 0.00000 0.13803 0.00000 0.08679 34 3PX -0.02249 0.10075 0.00000 -0.04261 0.00000 35 3PY 0.00000 0.00000 0.08671 0.00000 0.10189 36 3PZ 0.00000 0.00000 0.10429 0.00000 -0.00148 37 4S 0.00000 0.00000 -4.01645 0.00000 -0.33279 38 4PX 0.00629 0.26610 0.00000 -0.01432 0.00000 39 4PY 0.00000 0.00000 -1.79152 0.00000 -1.41131 40 4PZ 0.00000 0.00000 -1.74248 0.00000 1.29106 41 5S 0.00000 0.00000 -5.69835 0.00000 2.04925 42 5PX 0.01561 -0.07892 0.00000 -0.11045 0.00000 43 5PY 0.00000 0.00000 -2.75340 0.00000 0.47687 44 5PZ 0.00000 0.00000 1.34454 0.00000 0.21045 45 6D 0 0.00000 0.00000 0.02402 0.00000 0.03038 46 6D+1 0.00714 -0.00898 0.00000 -0.03596 0.00000 47 6D-1 0.00000 0.00000 0.04921 0.00000 0.01366 48 6D+2 0.00000 0.00000 -0.00789 0.00000 0.00663 49 6D-2 0.00351 -0.01095 0.00000 0.02842 0.00000 50 7D 0 0.00000 0.00000 -0.00135 0.00000 0.27737 51 7D+1 1.09517 0.28780 0.00000 -0.11982 0.00000 52 7D-1 0.00000 0.00000 -0.28241 0.00000 0.44315 53 7D+2 0.00000 0.00000 0.19729 0.00000 0.27289 54 7D-2 -0.34468 -0.43571 0.00000 0.01195 0.00000 55 3 C 1S 0.00000 0.00000 -0.00496 0.00000 0.00000 56 2S 0.00000 0.00000 -0.00995 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -0.16534 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.01148 59 2PZ 0.00000 0.00000 -0.03194 0.00000 0.00000 60 3S 0.00000 0.00000 0.14521 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 -0.04240 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 -0.36092 63 3PZ 0.00000 0.00000 0.24331 0.00000 0.00000 64 4S 0.00000 0.00000 1.84117 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 -0.10936 0.00000 66 4PY 0.00000 0.00000 0.00000 0.00000 -1.65523 67 4PZ 0.00000 0.00000 1.15217 0.00000 0.00000 68 5S 0.00000 0.00000 13.71202 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.16527 0.00000 70 5PY 0.00000 0.00000 0.00000 0.00000 0.15143 71 5PZ 0.00000 0.00000 1.64786 0.00000 0.00000 72 6D 0 0.00000 0.00000 0.00266 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.03893 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.01606 75 6D+2 0.00000 0.00000 0.02873 0.00000 0.00000 76 6D-2 -0.00202 0.02202 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.23346 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.68394 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.02634 80 7D+2 0.00000 0.00000 0.06835 0.00000 0.00000 81 7D-2 -1.10875 -0.28671 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.00000 0.00654 0.00000 -0.00063 83 2S 0.00000 0.00000 0.01072 0.00000 0.00109 84 2PX 0.05616 -0.11401 0.00000 -0.02993 0.00000 85 2PY 0.00000 0.00000 0.05996 0.00000 -0.02871 86 2PZ 0.00000 0.00000 -0.05796 0.00000 -0.01724 87 3S 0.00000 0.00000 0.13803 0.00000 -0.08679 88 3PX 0.02249 -0.10075 0.00000 -0.04261 0.00000 89 3PY 0.00000 0.00000 -0.08671 0.00000 0.10189 90 3PZ 0.00000 0.00000 0.10429 0.00000 0.00148 91 4S 0.00000 0.00000 -4.01645 0.00000 0.33279 92 4PX -0.00629 -0.26610 0.00000 -0.01432 0.00000 93 4PY 0.00000 0.00000 1.79152 0.00000 -1.41131 94 4PZ 0.00000 0.00000 -1.74248 0.00000 -1.29106 95 5S 0.00000 0.00000 -5.69835 0.00000 -2.04925 96 5PX -0.01561 0.07892 0.00000 -0.11045 0.00000 97 5PY 0.00000 0.00000 2.75340 0.00000 0.47687 98 5PZ 0.00000 0.00000 1.34454 0.00000 -0.21045 99 6D 0 0.00000 0.00000 0.02402 0.00000 -0.03038 100 6D+1 -0.00714 0.00898 0.00000 -0.03596 0.00000 101 6D-1 0.00000 0.00000 -0.04921 0.00000 0.01366 102 6D+2 0.00000 0.00000 -0.00789 0.00000 -0.00663 103 6D-2 0.00351 -0.01095 0.00000 -0.02842 0.00000 104 7D 0 0.00000 0.00000 -0.00135 0.00000 -0.27737 105 7D+1 -1.09517 -0.28780 0.00000 -0.11982 0.00000 106 7D-1 0.00000 0.00000 0.28241 0.00000 0.44315 107 7D+2 0.00000 0.00000 0.19729 0.00000 -0.27289 108 7D-2 -0.34468 -0.43571 0.00000 -0.01195 0.00000 109 5 C 1S 0.00000 0.00000 -0.00921 0.00000 0.03270 110 2S 0.00000 0.00000 -0.02718 0.00000 0.08246 111 2PX 0.00987 -0.14469 0.00000 0.03784 0.00000 112 2PY 0.00000 0.00000 -0.11792 0.00000 0.02206 113 2PZ 0.00000 0.00000 -0.11451 0.00000 -0.03259 114 3S 0.00000 0.00000 0.13844 0.00000 -0.84750 115 3PX -0.00609 -0.11985 0.00000 -0.02344 0.00000 116 3PY 0.00000 0.00000 -0.70426 0.00000 0.89900 117 3PZ 0.00000 0.00000 0.37989 0.00000 -0.56847 118 4S 0.00000 0.00000 8.47731 0.00000 -3.37571 119 4PX 0.19468 -0.08861 0.00000 -0.09843 0.00000 120 4PY 0.00000 0.00000 -3.64534 0.00000 2.33823 121 4PZ 0.00000 0.00000 -1.30508 0.00000 -2.58767 122 5S 0.00000 0.00000 0.10473 0.00000 3.76047 123 5PX -0.03854 0.04617 0.00000 0.11363 0.00000 124 5PY 0.00000 0.00000 -1.94893 0.00000 -1.22567 125 5PZ 0.00000 0.00000 0.49481 0.00000 -0.14877 126 6D 0 0.00000 0.00000 0.02545 0.00000 -0.03809 127 6D+1 0.03240 0.00631 0.00000 0.02276 0.00000 128 6D-1 0.00000 0.00000 0.01398 0.00000 -0.00005 129 6D+2 0.00000 0.00000 -0.03161 0.00000 -0.01189 130 6D-2 -0.02708 -0.03441 0.00000 -0.01717 0.00000 131 7D 0 0.00000 0.00000 -0.32032 0.00000 -0.03489 132 7D+1 -0.93184 -0.83105 0.00000 0.06018 0.00000 133 7D-1 0.00000 0.00000 0.46229 0.00000 0.57693 134 7D+2 0.00000 0.00000 -0.89150 0.00000 0.26724 135 7D-2 0.78745 0.24122 0.00000 0.64077 0.00000 136 6 N 1S 0.00000 0.00000 -0.06209 0.00000 0.00000 137 2S 0.00000 0.00000 -0.14447 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00593 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.10222 140 2PZ 0.00000 0.00000 0.00894 0.00000 0.00000 141 3S 0.00000 0.00000 1.93743 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.02708 0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.04222 144 3PZ 0.00000 0.00000 -0.08635 0.00000 0.00000 145 4S 0.00000 0.00000 -10.28800 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.73796 0.00000 147 4PY 0.00000 0.00000 0.00000 0.00000 5.82915 148 4PZ 0.00000 0.00000 5.34708 0.00000 0.00000 149 5S 0.00000 0.00000 -6.78087 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.24268 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 -0.51168 152 5PZ 0.00000 0.00000 0.42623 0.00000 0.00000 153 6D 0 0.00000 0.00000 -0.01872 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.01284 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00725 156 6D+2 0.00000 0.00000 -0.00893 0.00000 0.00000 157 6D-2 0.00608 0.02072 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 -1.13121 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 -0.56166 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 -1.57741 161 7D+2 0.00000 0.00000 0.69350 0.00000 0.00000 162 7D-2 1.25199 1.03374 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 0.28267 0.00000 0.07964 164 2S 0.00000 0.00000 -1.20740 0.00000 -0.23743 165 3S 0.00000 0.00000 2.08996 0.00000 0.36555 166 4PX -0.29877 0.47879 0.00000 -0.59374 0.00000 167 4PY 0.00000 0.00000 -0.17133 0.00000 -0.23443 168 4PZ 0.00000 0.00000 0.02213 0.00000 0.34365 169 8 H 1S 0.00000 0.00000 -0.04520 0.00000 0.03242 170 2S 0.00000 0.00000 0.24331 0.00000 0.08354 171 3S 0.00000 0.00000 -0.66660 0.00000 0.15157 172 4PX -0.37279 0.48652 0.00000 -0.02184 0.00000 173 4PY 0.00000 0.00000 -0.12209 0.00000 -0.18389 174 4PZ 0.00000 0.00000 0.17180 0.00000 -0.39510 175 9 H 1S 0.00000 0.00000 -0.06629 0.00000 0.00000 176 2S 0.00000 0.00000 0.58697 0.00000 0.00000 177 3S 0.00000 0.00000 -0.16877 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.85757 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 0.36422 180 4PZ 0.00000 0.00000 0.05088 0.00000 0.00000 181 10 H 1S 0.00000 0.00000 -0.04520 0.00000 -0.03242 182 2S 0.00000 0.00000 0.24331 0.00000 -0.08354 183 3S 0.00000 0.00000 -0.66660 0.00000 -0.15157 184 4PX 0.37279 -0.48652 0.00000 -0.02184 0.00000 185 4PY 0.00000 0.00000 0.12209 0.00000 -0.18389 186 4PZ 0.00000 0.00000 0.17180 0.00000 0.39510 187 11 H 1S 0.00000 0.00000 0.28267 0.00000 -0.07964 188 2S 0.00000 0.00000 -1.20740 0.00000 0.23743 189 3S 0.00000 0.00000 2.08996 0.00000 -0.36555 190 4PX 0.29877 -0.47879 0.00000 -0.59374 0.00000 191 4PY 0.00000 0.00000 0.17133 0.00000 -0.23443 192 4PZ 0.00000 0.00000 0.02213 0.00000 -0.34365 121 122 123 124 125 (A1)--V (A2)--V (B2)--V (B1)--V (A1)--V Eigenvalues -- 1.96858 2.00696 2.14839 2.15371 2.21906 1 1 C 1S -0.03387 0.00000 -0.02523 0.00000 -0.03105 2 2S -0.07521 0.00000 -0.07433 0.00000 -0.07403 3 2PX 0.00000 -0.04485 0.00000 0.15867 0.00000 4 2PY 0.03363 0.00000 0.11175 0.00000 -0.07699 5 2PZ 0.03533 0.00000 0.05398 0.00000 0.06110 6 3S 0.57579 0.00000 1.17433 0.00000 0.72173 7 3PX 0.00000 0.02425 0.00000 -0.00917 0.00000 8 3PY 0.68413 0.00000 0.68695 0.00000 0.02701 9 3PZ -0.10715 0.00000 0.57751 0.00000 -0.10402 10 4S 10.54919 0.00000 -2.13897 0.00000 4.55382 11 4PX 0.00000 0.24536 0.00000 0.61669 0.00000 12 4PY 2.73029 0.00000 0.76842 0.00000 1.02448 13 4PZ -1.63746 0.00000 2.44056 0.00000 -0.93268 14 5S 5.00919 0.00000 1.32073 0.00000 -3.49582 15 5PX 0.00000 -0.05714 0.00000 -0.28904 0.00000 16 5PY -0.44261 0.00000 0.61646 0.00000 0.01788 17 5PZ -1.38893 0.00000 -0.08924 0.00000 1.21555 18 6D 0 -0.02807 0.00000 -0.01728 0.00000 0.00874 19 6D+1 0.00000 0.00424 0.00000 0.02304 0.00000 20 6D-1 -0.03639 0.00000 0.00394 0.00000 0.07128 21 6D+2 -0.01004 0.00000 0.02251 0.00000 0.03768 22 6D-2 0.00000 0.03787 0.00000 -0.00749 0.00000 23 7D 0 0.92337 0.00000 -1.16577 0.00000 -0.15678 24 7D+1 0.00000 -0.39729 0.00000 -0.32734 0.00000 25 7D-1 2.71564 0.00000 -0.58420 0.00000 0.10783 26 7D+2 -0.44748 0.00000 -0.18594 0.00000 -0.43464 27 7D-2 0.00000 0.68515 0.00000 0.66097 0.00000 28 2 C 1S 0.01907 0.00000 -0.00306 0.00000 -0.01266 29 2S 0.04380 0.00000 -0.00301 0.00000 -0.03309 30 2PX 0.00000 0.04500 0.00000 -0.04856 0.00000 31 2PY 0.12142 0.00000 -0.10390 0.00000 -0.17863 32 2PZ 0.06231 0.00000 -0.08367 0.00000 -0.12160 33 3S -0.26761 0.00000 -0.12858 0.00000 0.45657 34 3PX 0.00000 -0.03838 0.00000 -0.01983 0.00000 35 3PY -0.34191 0.00000 -0.04871 0.00000 -0.29139 36 3PZ 0.07227 0.00000 0.75651 0.00000 0.13671 37 4S -12.60522 0.00000 3.40825 0.00000 -4.89749 38 4PX 0.00000 -0.25487 0.00000 -0.84118 0.00000 39 4PY -3.70728 0.00000 -0.16579 0.00000 -2.09411 40 4PZ -1.26778 0.00000 1.43092 0.00000 -1.19265 41 5S -2.10113 0.00000 -2.52788 0.00000 4.30629 42 5PX 0.00000 0.05732 0.00000 0.43732 0.00000 43 5PY 1.13271 0.00000 -0.81917 0.00000 -0.03439 44 5PZ -1.49546 0.00000 0.48385 0.00000 0.94077 45 6D 0 -0.01385 0.00000 -0.02302 0.00000 0.01234 46 6D+1 0.00000 0.01798 0.00000 -0.03199 0.00000 47 6D-1 -0.00292 0.00000 -0.00318 0.00000 -0.03636 48 6D+2 0.00768 0.00000 -0.01960 0.00000 0.06985 49 6D-2 0.00000 -0.04040 0.00000 -0.02595 0.00000 50 7D 0 -1.64795 0.00000 0.40800 0.00000 -0.83884 51 7D+1 0.00000 -0.33296 0.00000 -0.41650 0.00000 52 7D-1 2.26254 0.00000 -0.91358 0.00000 0.68861 53 7D+2 -0.00034 0.00000 -0.15602 0.00000 -0.14895 54 7D-2 0.00000 -0.67131 0.00000 -1.01725 0.00000 55 3 C 1S -0.00750 0.00000 0.00000 0.00000 -0.01833 56 2S -0.01184 0.00000 0.00000 0.00000 -0.03621 57 2PX 0.00000 0.00000 0.00000 0.15882 0.00000 58 2PY 0.00000 0.00000 -0.04181 0.00000 0.00000 59 2PZ -0.01977 0.00000 0.00000 0.00000 -0.35850 60 3S -0.07438 0.00000 0.00000 0.00000 0.03213 61 3PX 0.00000 0.00000 0.00000 0.01355 0.00000 62 3PY 0.00000 0.00000 0.62594 0.00000 0.00000 63 3PZ 0.40183 0.00000 0.00000 0.00000 0.06980 64 4S 14.28911 0.00000 0.00000 0.00000 6.06393 65 4PX 0.00000 0.00000 0.00000 1.00831 0.00000 66 4PY 0.00000 0.00000 -0.46264 0.00000 0.00000 67 4PZ 4.65808 0.00000 0.00000 0.00000 1.48099 68 5S -4.75997 0.00000 0.00000 0.00000 -0.84396 69 5PX 0.00000 0.00000 0.00000 -0.51028 0.00000 70 5PY 0.00000 0.00000 -1.25537 0.00000 0.00000 71 5PZ -0.42420 0.00000 0.00000 0.00000 -0.72228 72 6D 0 0.07865 0.00000 0.00000 0.00000 -0.06509 73 6D+1 0.00000 0.00000 0.00000 0.01213 0.00000 74 6D-1 0.00000 0.00000 -0.03386 0.00000 0.00000 75 6D+2 0.01576 0.00000 0.00000 0.00000 0.03074 76 6D-2 0.00000 0.06391 0.00000 0.00000 0.00000 77 7D 0 -1.95586 0.00000 0.00000 0.00000 -0.31582 78 7D+1 0.00000 0.00000 0.00000 1.17250 0.00000 79 7D-1 0.00000 0.00000 -0.90606 0.00000 0.00000 80 7D+2 -2.24470 0.00000 0.00000 0.00000 -0.76099 81 7D-2 0.00000 -0.18797 0.00000 0.00000 0.00000 82 4 C 1S 0.01907 0.00000 0.00306 0.00000 -0.01266 83 2S 0.04380 0.00000 0.00301 0.00000 -0.03309 84 2PX 0.00000 -0.04500 0.00000 -0.04856 0.00000 85 2PY -0.12142 0.00000 -0.10390 0.00000 0.17863 86 2PZ 0.06231 0.00000 0.08367 0.00000 -0.12160 87 3S -0.26761 0.00000 0.12858 0.00000 0.45657 88 3PX 0.00000 0.03838 0.00000 -0.01983 0.00000 89 3PY 0.34191 0.00000 -0.04871 0.00000 0.29139 90 3PZ 0.07227 0.00000 -0.75651 0.00000 0.13671 91 4S -12.60522 0.00000 -3.40825 0.00000 -4.89749 92 4PX 0.00000 0.25487 0.00000 -0.84118 0.00000 93 4PY 3.70728 0.00000 -0.16579 0.00000 2.09411 94 4PZ -1.26778 0.00000 -1.43092 0.00000 -1.19265 95 5S -2.10113 0.00000 2.52788 0.00000 4.30629 96 5PX 0.00000 -0.05732 0.00000 0.43732 0.00000 97 5PY -1.13271 0.00000 -0.81917 0.00000 0.03439 98 5PZ -1.49546 0.00000 -0.48385 0.00000 0.94077 99 6D 0 -0.01385 0.00000 0.02302 0.00000 0.01234 100 6D+1 0.00000 -0.01798 0.00000 -0.03199 0.00000 101 6D-1 0.00292 0.00000 -0.00318 0.00000 0.03636 102 6D+2 0.00768 0.00000 0.01960 0.00000 0.06985 103 6D-2 0.00000 -0.04040 0.00000 0.02595 0.00000 104 7D 0 -1.64795 0.00000 -0.40800 0.00000 -0.83884 105 7D+1 0.00000 0.33296 0.00000 -0.41650 0.00000 106 7D-1 -2.26254 0.00000 -0.91358 0.00000 -0.68861 107 7D+2 -0.00034 0.00000 0.15602 0.00000 -0.14895 108 7D-2 0.00000 -0.67131 0.00000 1.01725 0.00000 109 5 C 1S -0.03387 0.00000 0.02523 0.00000 -0.03105 110 2S -0.07521 0.00000 0.07433 0.00000 -0.07403 111 2PX 0.00000 0.04485 0.00000 0.15867 0.00000 112 2PY -0.03363 0.00000 0.11175 0.00000 0.07699 113 2PZ 0.03533 0.00000 -0.05398 0.00000 0.06110 114 3S 0.57579 0.00000 -1.17433 0.00000 0.72173 115 3PX 0.00000 -0.02425 0.00000 -0.00917 0.00000 116 3PY -0.68413 0.00000 0.68695 0.00000 -0.02701 117 3PZ -0.10715 0.00000 -0.57751 0.00000 -0.10402 118 4S 10.54919 0.00000 2.13897 0.00000 4.55382 119 4PX 0.00000 -0.24536 0.00000 0.61669 0.00000 120 4PY -2.73029 0.00000 0.76842 0.00000 -1.02448 121 4PZ -1.63746 0.00000 -2.44056 0.00000 -0.93268 122 5S 5.00919 0.00000 -1.32073 0.00000 -3.49582 123 5PX 0.00000 0.05714 0.00000 -0.28904 0.00000 124 5PY 0.44261 0.00000 0.61646 0.00000 -0.01788 125 5PZ -1.38893 0.00000 0.08924 0.00000 1.21555 126 6D 0 -0.02807 0.00000 0.01728 0.00000 0.00874 127 6D+1 0.00000 -0.00424 0.00000 0.02304 0.00000 128 6D-1 0.03639 0.00000 0.00394 0.00000 -0.07128 129 6D+2 -0.01004 0.00000 -0.02251 0.00000 0.03768 130 6D-2 0.00000 0.03787 0.00000 0.00749 0.00000 131 7D 0 0.92337 0.00000 1.16577 0.00000 -0.15678 132 7D+1 0.00000 0.39729 0.00000 -0.32734 0.00000 133 7D-1 -2.71564 0.00000 -0.58420 0.00000 -0.10783 134 7D+2 -0.44748 0.00000 0.18594 0.00000 -0.43464 135 7D-2 0.00000 0.68515 0.00000 -0.66097 0.00000 136 6 N 1S 0.01171 0.00000 0.00000 0.00000 -0.01739 137 2S 0.02318 0.00000 0.00000 0.00000 -0.04078 138 2PX 0.00000 0.00000 0.00000 -0.02780 0.00000 139 2PY 0.00000 0.00000 0.01822 0.00000 0.00000 140 2PZ 0.04134 0.00000 0.00000 0.00000 0.00245 141 3S 0.08951 0.00000 0.00000 0.00000 0.58822 142 3PX 0.00000 0.00000 0.00000 0.00551 0.00000 143 3PY 0.00000 0.00000 -0.25540 0.00000 0.00000 144 3PZ 0.23917 0.00000 0.00000 0.00000 -0.01048 145 4S -10.98475 0.00000 0.00000 0.00000 -4.15629 146 4PX 0.00000 0.00000 0.00000 -0.81214 0.00000 147 4PY 0.00000 0.00000 2.01722 0.00000 0.00000 148 4PZ 2.44376 0.00000 0.00000 0.00000 1.96562 149 5S -3.04682 0.00000 0.00000 0.00000 -0.01748 150 5PX 0.00000 0.00000 0.00000 0.23420 0.00000 151 5PY 0.00000 0.00000 0.67971 0.00000 0.00000 152 5PZ 1.57039 0.00000 0.00000 0.00000 -0.61441 153 6D 0 -0.00195 0.00000 0.00000 0.00000 -0.01752 154 6D+1 0.00000 0.00000 0.00000 0.01623 0.00000 155 6D-1 0.00000 0.00000 -0.00681 0.00000 0.00000 156 6D+2 0.00417 0.00000 0.00000 0.00000 -0.00797 157 6D-2 0.00000 -0.01582 0.00000 0.00000 0.00000 158 7D 0 1.10924 0.00000 0.00000 0.00000 -0.20993 159 7D+1 0.00000 0.00000 0.00000 0.50791 0.00000 160 7D-1 0.00000 0.00000 -1.57468 0.00000 0.00000 161 7D+2 1.57616 0.00000 0.00000 0.00000 0.28619 162 7D-2 0.00000 0.13477 0.00000 0.00000 0.00000 163 7 H 1S -0.06935 0.00000 -0.04249 0.00000 -0.25736 164 2S 1.41335 0.00000 0.45748 0.00000 -0.10703 165 3S -0.46539 0.00000 -0.27518 0.00000 -0.21155 166 4PX 0.00000 -0.68191 0.00000 0.42419 0.00000 167 4PY -0.47598 0.00000 0.05047 0.00000 0.18806 168 4PZ 0.17804 0.00000 -0.23270 0.00000 0.40229 169 8 H 1S 0.16293 0.00000 0.21501 0.00000 -0.36604 170 2S -1.40903 0.00000 -0.71892 0.00000 -0.32548 171 3S 0.60380 0.00000 0.48702 0.00000 -0.94748 172 4PX 0.00000 0.63402 0.00000 -0.69236 0.00000 173 4PY -0.06391 0.00000 0.29289 0.00000 0.28830 174 4PZ -0.15627 0.00000 0.31284 0.00000 -0.36212 175 9 H 1S 0.02286 0.00000 0.00000 0.00000 -0.59348 176 2S 1.31963 0.00000 0.00000 0.00000 0.72317 177 3S 0.08834 0.00000 0.00000 0.00000 -1.03858 178 4PX 0.00000 0.00000 0.00000 0.69480 0.00000 179 4PY 0.00000 0.00000 -0.66443 0.00000 0.00000 180 4PZ 0.35999 0.00000 0.00000 0.00000 -0.38183 181 10 H 1S 0.16293 0.00000 -0.21501 0.00000 -0.36604 182 2S -1.40903 0.00000 0.71892 0.00000 -0.32548 183 3S 0.60380 0.00000 -0.48702 0.00000 -0.94748 184 4PX 0.00000 -0.63402 0.00000 -0.69236 0.00000 185 4PY 0.06391 0.00000 0.29289 0.00000 -0.28830 186 4PZ -0.15627 0.00000 -0.31284 0.00000 -0.36212 187 11 H 1S -0.06935 0.00000 0.04249 0.00000 -0.25736 188 2S 1.41335 0.00000 -0.45748 0.00000 -0.10703 189 3S -0.46539 0.00000 0.27518 0.00000 -0.21155 190 4PX 0.00000 0.68191 0.00000 0.42419 0.00000 191 4PY 0.47598 0.00000 0.05047 0.00000 -0.18806 192 4PZ 0.17804 0.00000 0.23270 0.00000 0.40229 126 127 128 129 130 (B2)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 2.36428 2.38361 2.48232 2.49122 2.64286 1 1 C 1S 0.00363 0.01241 -0.01338 -0.00497 -0.01999 2 2S 0.01738 0.01787 -0.02981 -0.01685 -0.05012 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.32001 0.19895 -0.14671 -0.10873 -0.06717 5 2PZ 0.12406 -0.19217 0.17813 0.08133 -0.04346 6 3S -0.44215 0.30773 0.23670 0.05293 0.83142 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -0.10989 -0.75488 0.39872 -0.42770 -0.04669 9 3PZ -0.00751 -0.47137 -0.20835 -0.17592 -0.41809 10 4S -0.25334 -4.80095 2.30224 3.32430 0.32814 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -0.77899 -1.34442 0.76561 1.19176 0.10351 13 4PZ -0.73685 0.34662 -0.10840 -0.12762 -0.37275 14 5S 0.67908 -1.21212 -1.35098 0.28012 -0.88254 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -1.52392 0.46372 -0.74140 0.81902 0.15774 17 5PZ -0.91931 0.22019 -0.06202 0.57094 0.24718 18 6D 0 -0.03126 -0.02162 -0.06073 0.10130 -0.04739 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.00688 0.02460 -0.03109 0.10576 -0.02648 21 6D+2 0.02679 -0.05063 -0.01142 0.00180 0.02040 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 0.31018 -0.69485 -0.94121 -1.46776 0.48685 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 -0.39502 -0.73734 0.95892 -0.83368 -0.74502 26 7D+2 -0.00180 0.40043 -0.90019 -1.11700 0.35545 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00189 -0.00159 -0.02834 -0.00640 -0.01757 29 2S 0.01397 -0.00797 -0.07468 -0.03472 -0.04274 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY -0.34037 0.06635 0.04606 0.07655 -0.01293 32 2PZ -0.14730 -0.00579 0.01737 0.10213 -0.11591 33 3S -0.50087 0.13543 1.34183 0.95900 0.69095 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 0.01411 -0.37566 0.09335 -0.22122 0.43538 36 3PZ -0.02665 0.49563 0.06229 0.39811 -0.28566 37 4S 0.30160 1.39992 -2.23793 -2.68634 0.38499 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.01482 0.48089 -0.38400 -1.28868 0.45675 40 4PZ -0.27671 0.58933 -0.18845 -0.38742 -0.42350 41 5S 3.22596 0.58350 1.41433 -1.94639 -0.59232 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 1.33265 -0.19886 0.53921 -0.94019 -0.37049 44 5PZ -2.47698 0.46526 -0.09403 0.42696 0.65108 45 6D 0 -0.03414 -0.02363 -0.05164 0.05909 -0.05094 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00041 -0.03836 0.03321 -0.01590 0.03332 48 6D+2 0.02890 -0.03557 0.06120 -0.04247 0.01485 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.21169 -0.67732 -0.42989 -0.17198 -1.45342 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.15413 -0.53730 0.97365 0.10236 -0.81761 53 7D+2 -0.20789 -0.38906 0.23106 0.42608 -0.82336 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.02429 0.00000 -0.01021 0.00000 56 2S 0.00000 0.06509 0.00000 -0.03336 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.07586 0.00000 -0.04316 0.00000 0.12322 59 2PZ 0.00000 -0.25959 0.00000 0.22494 0.00000 60 3S 0.00000 -1.25724 0.00000 0.50844 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.12370 0.00000 -0.68376 0.00000 0.55988 63 3PZ 0.00000 0.03613 0.00000 0.07027 0.00000 64 4S 0.00000 0.59385 0.00000 2.68440 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.01862 0.00000 -0.53890 0.00000 0.78501 67 4PZ 0.00000 -0.16008 0.00000 0.97432 0.00000 68 5S 0.00000 0.67880 0.00000 4.67545 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 3.52051 0.00000 0.52632 0.00000 -0.94787 71 5PZ 0.00000 -0.33183 0.00000 0.82390 0.00000 72 6D 0 0.00000 0.01490 0.00000 -0.01904 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.02095 0.00000 0.07549 0.00000 0.01629 75 6D+2 0.00000 -0.06140 0.00000 -0.07300 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 -0.24718 0.00000 -0.34285 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.43038 0.00000 0.87094 0.00000 2.28430 80 7D+2 0.00000 -0.68133 0.00000 -0.23461 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.00189 -0.00159 0.02834 -0.00640 0.01757 83 2S -0.01397 -0.00797 0.07468 -0.03472 0.04274 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.34037 -0.06635 0.04606 -0.07655 -0.01293 86 2PZ 0.14730 -0.00579 -0.01737 0.10213 0.11591 87 3S 0.50087 0.13543 -1.34183 0.95900 -0.69095 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.01411 0.37566 0.09335 0.22122 0.43538 90 3PZ 0.02665 0.49563 -0.06229 0.39811 0.28566 91 4S -0.30160 1.39992 2.23793 -2.68634 -0.38499 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY 0.01482 -0.48089 -0.38400 1.28868 0.45675 94 4PZ 0.27671 0.58933 0.18845 -0.38742 0.42350 95 5S -3.22596 0.58350 -1.41433 -1.94639 0.59232 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 1.33265 0.19886 0.53921 0.94019 -0.37049 98 5PZ 2.47698 0.46526 0.09403 0.42696 -0.65108 99 6D 0 0.03414 -0.02363 0.05164 0.05909 0.05094 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.00041 0.03836 0.03321 0.01590 0.03332 102 6D+2 -0.02890 -0.03557 -0.06120 -0.04247 -0.01485 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.21169 -0.67732 0.42989 -0.17198 1.45342 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.15413 0.53730 0.97365 -0.10236 -0.81761 107 7D+2 0.20789 -0.38906 -0.23106 0.42608 0.82336 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00363 0.01241 0.01338 -0.00497 0.01999 110 2S -0.01738 0.01787 0.02981 -0.01685 0.05012 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.32001 -0.19895 -0.14671 0.10873 -0.06717 113 2PZ -0.12406 -0.19217 -0.17813 0.08133 0.04346 114 3S 0.44215 0.30773 -0.23670 0.05293 -0.83142 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.10989 0.75488 0.39872 0.42770 -0.04669 117 3PZ 0.00751 -0.47137 0.20835 -0.17592 0.41809 118 4S 0.25334 -4.80095 -2.30224 3.32430 -0.32814 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.77899 1.34442 0.76561 -1.19176 0.10351 121 4PZ 0.73685 0.34662 0.10840 -0.12762 0.37275 122 5S -0.67908 -1.21212 1.35098 0.28012 0.88254 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -1.52392 -0.46372 -0.74140 -0.81902 0.15774 125 5PZ 0.91931 0.22019 0.06202 0.57094 -0.24718 126 6D 0 0.03126 -0.02162 0.06073 0.10130 0.04739 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00688 -0.02460 -0.03109 -0.10576 -0.02648 129 6D+2 -0.02679 -0.05063 0.01142 0.00180 -0.02040 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.31018 -0.69485 0.94121 -1.46776 -0.48685 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.39502 0.73734 0.95892 0.83368 -0.74502 134 7D+2 0.00180 0.40043 0.90019 -1.11700 -0.35545 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 0.01471 0.00000 0.00203 0.00000 137 2S 0.00000 0.03436 0.00000 0.00264 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.07230 0.00000 0.03248 0.00000 -0.05402 140 2PZ 0.00000 0.00557 0.00000 0.13495 0.00000 141 3S 0.00000 -0.69191 0.00000 -0.02129 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY -0.02977 0.00000 0.50449 0.00000 -0.30415 144 3PZ 0.00000 -0.07775 0.00000 0.10549 0.00000 145 4S 0.00000 6.63908 0.00000 -2.05669 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY -1.12455 0.00000 0.88916 0.00000 -0.05354 148 4PZ 0.00000 -1.80225 0.00000 2.65344 0.00000 149 5S 0.00000 0.61208 0.00000 -3.84287 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -1.20278 0.00000 -0.46114 0.00000 0.00399 152 5PZ 0.00000 -0.31936 0.00000 -0.22831 0.00000 153 6D 0 0.00000 0.00577 0.00000 -0.03544 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00379 0.00000 0.00243 0.00000 -0.01052 156 6D+2 0.00000 -0.03244 0.00000 -0.03784 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 -0.34402 0.00000 -1.25839 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.47888 0.00000 -0.85188 0.00000 0.13255 161 7D+2 0.00000 -1.08339 0.00000 -0.81494 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.48848 0.50852 0.29036 -0.11020 0.04358 164 2S -0.37510 -0.91502 -0.63679 -1.43423 0.18317 165 3S 1.02549 0.83706 0.53047 0.52358 -0.12381 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY -0.31872 -0.15274 0.46313 0.13065 -0.32790 168 4PZ -0.02169 0.15349 -0.68655 0.89042 0.24024 169 8 H 1S 0.54644 0.15108 -0.04406 0.35121 0.08308 170 2S -0.49744 -0.26828 0.47352 -0.42054 -0.00392 171 3S 0.92315 0.32734 -0.21923 0.13710 0.02392 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY -0.26441 -0.23458 -0.27058 0.00414 0.33164 174 4PZ 0.01307 -0.59327 -0.04177 0.06980 0.79186 175 9 H 1S 0.00000 -0.30582 0.00000 0.43733 0.00000 176 2S 0.00000 0.59237 0.00000 -0.41207 0.00000 177 3S 0.00000 -0.59615 0.00000 0.61129 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY -0.25637 0.00000 0.59321 0.00000 1.06379 180 4PZ 0.00000 0.07357 0.00000 0.05691 0.00000 181 10 H 1S -0.54644 0.15108 0.04406 0.35121 -0.08308 182 2S 0.49744 -0.26828 -0.47352 -0.42054 0.00392 183 3S -0.92315 0.32734 0.21923 0.13710 -0.02392 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.26441 0.23458 -0.27058 -0.00414 0.33164 186 4PZ -0.01307 -0.59327 0.04177 0.06980 -0.79186 187 11 H 1S -0.48848 0.50852 -0.29036 -0.11020 -0.04358 188 2S 0.37510 -0.91502 0.63679 -1.43423 -0.18317 189 3S -1.02549 0.83706 -0.53047 0.52358 0.12381 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.31872 0.15274 0.46313 -0.13065 -0.32790 192 4PZ 0.02169 0.15349 0.68655 0.89042 -0.24024 131 132 133 134 135 (A1)--V (A1)--V (B1)--V (A1)--V (B2)--V Eigenvalues -- 2.65573 2.68821 2.68939 2.73652 2.74309 1 1 C 1S -0.01773 -0.02601 0.00000 0.00872 -0.01305 2 2S -0.05246 -0.06180 0.00000 0.01538 -0.02354 3 2PX 0.00000 0.00000 -0.44187 0.00000 0.00000 4 2PY 0.03393 -0.22788 0.00000 0.00602 -0.07385 5 2PZ 0.12935 -0.00486 0.00000 0.02509 -0.04154 6 3S 0.58562 0.65802 0.00000 0.07864 -0.17177 7 3PX 0.00000 0.00000 0.52602 0.00000 0.00000 8 3PY 0.19174 0.14359 0.00000 0.08109 -0.21119 9 3PZ -0.12784 0.03880 0.00000 -0.23502 0.28903 10 4S 4.34467 2.35862 0.00000 -0.56787 2.85987 11 4PX 0.00000 0.00000 -0.03928 0.00000 0.00000 12 4PY 1.84694 0.27482 0.00000 0.61470 0.07947 13 4PZ -0.61713 -0.72243 0.00000 0.29917 -1.18923 14 5S 2.33737 -2.62018 0.00000 6.71372 -9.47374 15 5PX 0.00000 0.00000 -0.34561 0.00000 0.00000 16 5PY 0.48693 0.20125 0.00000 0.31646 -0.31649 17 5PZ -0.56672 0.83319 0.00000 -1.44297 2.10351 18 6D 0 0.04175 0.00177 0.00000 0.10077 -0.04635 19 6D+1 0.00000 0.00000 -0.06778 0.00000 0.00000 20 6D-1 0.01168 -0.03258 0.00000 -0.02947 0.04411 21 6D+2 -0.02157 0.07094 0.00000 0.00818 0.02686 22 6D-2 0.00000 0.00000 0.07173 0.00000 0.00000 23 7D 0 0.85312 0.20152 0.00000 -0.12092 -0.06732 24 7D+1 0.00000 0.00000 0.17301 0.00000 0.00000 25 7D-1 0.25387 -1.60634 0.00000 0.34353 -0.87766 26 7D+2 0.19486 -0.24634 0.00000 0.26840 -0.69608 27 7D-2 0.00000 0.00000 0.23892 0.00000 0.00000 28 2 C 1S 0.00717 0.01989 0.00000 -0.02548 0.02228 29 2S -0.00114 0.05163 0.00000 -0.05985 0.06031 30 2PX 0.00000 0.00000 -0.70677 0.00000 0.00000 31 2PY -0.04915 0.07489 0.00000 -0.09457 0.11272 32 2PZ 0.03299 -0.01195 0.00000 -0.06096 0.08085 33 3S -0.04618 -0.49193 0.00000 0.11699 -0.12510 34 3PX 0.00000 0.00000 0.84806 0.00000 0.00000 35 3PY -0.42258 0.18201 0.00000 -0.58002 0.95809 36 3PZ -0.65439 0.37487 0.00000 -0.13752 0.49992 37 4S -3.10222 -1.35928 0.00000 4.61370 -5.27921 38 4PX 0.00000 0.00000 -0.47577 0.00000 0.00000 39 4PY -2.07742 0.42974 0.00000 0.43048 0.23861 40 4PZ -0.84915 -0.70357 0.00000 -0.14809 -0.28518 41 5S -1.42993 2.67210 0.00000 -16.79027 11.19591 42 5PX 0.00000 0.00000 0.50828 0.00000 0.00000 43 5PY -0.10847 -0.18941 0.00000 -2.58669 0.91537 44 5PZ -0.31885 0.80079 0.00000 -0.75402 2.02740 45 6D 0 0.11749 -0.01848 0.00000 0.10785 -0.06240 46 6D+1 0.00000 0.00000 0.05132 0.00000 0.00000 47 6D-1 -0.12806 0.00560 0.00000 -0.01691 0.14754 48 6D+2 -0.08875 -0.01616 0.00000 0.05753 0.08727 49 6D-2 0.00000 0.00000 0.03170 0.00000 0.00000 50 7D 0 -0.79757 -0.72908 0.00000 -0.79384 0.29996 51 7D+1 0.00000 0.00000 0.00420 0.00000 0.00000 52 7D-1 0.27280 -1.49586 0.00000 1.17782 -1.42526 53 7D+2 -0.38379 -0.10718 0.00000 -1.42001 1.14353 54 7D-2 0.00000 0.00000 -0.21476 0.00000 0.00000 55 3 C 1S -0.00085 0.03170 0.00000 0.04063 0.00000 56 2S -0.02344 0.08726 0.00000 0.09444 0.00000 57 2PX 0.00000 0.00000 -0.52603 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 -0.11612 59 2PZ 0.01406 0.25034 0.00000 0.23802 0.00000 60 3S -0.07278 -1.30136 0.00000 -0.38535 0.00000 61 3PX 0.00000 0.00000 0.63381 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 0.37300 63 3PZ -1.16086 -0.02526 0.00000 0.63481 0.00000 64 4S 5.47531 -1.70833 0.00000 -6.36443 0.00000 65 4PX 0.00000 0.00000 -0.04288 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 0.00000 -0.84189 67 4PZ 0.51090 -0.43829 0.00000 -0.93706 0.00000 68 5S -1.33825 0.50026 0.00000 20.78754 0.00000 69 5PX 0.00000 0.00000 -0.34404 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 0.00000 0.42775 71 5PZ -0.15554 -0.05076 0.00000 3.35608 0.00000 72 6D 0 -0.07027 -0.05308 0.00000 0.06183 0.00000 73 6D+1 0.00000 0.00000 0.07662 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.17577 75 6D+2 -0.26639 -0.03478 0.00000 0.02280 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.36693 -0.79158 0.00000 -2.79682 0.00000 78 7D+1 0.00000 0.00000 -0.00018 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 -0.17798 80 7D+2 -0.27737 -0.40334 0.00000 -0.30057 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00717 0.01989 0.00000 -0.02548 -0.02228 83 2S -0.00114 0.05163 0.00000 -0.05985 -0.06031 84 2PX 0.00000 0.00000 -0.70677 0.00000 0.00000 85 2PY 0.04915 -0.07489 0.00000 0.09457 0.11272 86 2PZ 0.03299 -0.01195 0.00000 -0.06096 -0.08085 87 3S -0.04618 -0.49193 0.00000 0.11699 0.12510 88 3PX 0.00000 0.00000 0.84806 0.00000 0.00000 89 3PY 0.42258 -0.18201 0.00000 0.58002 0.95809 90 3PZ -0.65439 0.37487 0.00000 -0.13752 -0.49992 91 4S -3.10222 -1.35928 0.00000 4.61370 5.27921 92 4PX 0.00000 0.00000 -0.47577 0.00000 0.00000 93 4PY 2.07742 -0.42974 0.00000 -0.43048 0.23861 94 4PZ -0.84915 -0.70357 0.00000 -0.14809 0.28518 95 5S -1.42993 2.67210 0.00000 -16.79027 -11.19591 96 5PX 0.00000 0.00000 0.50828 0.00000 0.00000 97 5PY 0.10847 0.18941 0.00000 2.58669 0.91537 98 5PZ -0.31885 0.80079 0.00000 -0.75402 -2.02740 99 6D 0 0.11749 -0.01848 0.00000 0.10785 0.06240 100 6D+1 0.00000 0.00000 0.05132 0.00000 0.00000 101 6D-1 0.12806 -0.00560 0.00000 0.01691 0.14754 102 6D+2 -0.08875 -0.01616 0.00000 0.05753 -0.08727 103 6D-2 0.00000 0.00000 -0.03170 0.00000 0.00000 104 7D 0 -0.79757 -0.72908 0.00000 -0.79384 -0.29996 105 7D+1 0.00000 0.00000 0.00420 0.00000 0.00000 106 7D-1 -0.27280 1.49586 0.00000 -1.17782 -1.42526 107 7D+2 -0.38379 -0.10718 0.00000 -1.42001 -1.14353 108 7D-2 0.00000 0.00000 0.21476 0.00000 0.00000 109 5 C 1S -0.01773 -0.02601 0.00000 0.00872 0.01305 110 2S -0.05246 -0.06180 0.00000 0.01538 0.02354 111 2PX 0.00000 0.00000 -0.44187 0.00000 0.00000 112 2PY -0.03393 0.22788 0.00000 -0.00602 -0.07385 113 2PZ 0.12935 -0.00486 0.00000 0.02509 0.04154 114 3S 0.58562 0.65802 0.00000 0.07864 0.17177 115 3PX 0.00000 0.00000 0.52602 0.00000 0.00000 116 3PY -0.19174 -0.14359 0.00000 -0.08109 -0.21119 117 3PZ -0.12784 0.03880 0.00000 -0.23502 -0.28903 118 4S 4.34467 2.35862 0.00000 -0.56787 -2.85987 119 4PX 0.00000 0.00000 -0.03928 0.00000 0.00000 120 4PY -1.84694 -0.27482 0.00000 -0.61470 0.07947 121 4PZ -0.61713 -0.72243 0.00000 0.29917 1.18923 122 5S 2.33737 -2.62018 0.00000 6.71372 9.47374 123 5PX 0.00000 0.00000 -0.34561 0.00000 0.00000 124 5PY -0.48693 -0.20125 0.00000 -0.31646 -0.31649 125 5PZ -0.56672 0.83319 0.00000 -1.44297 -2.10351 126 6D 0 0.04175 0.00177 0.00000 0.10077 0.04635 127 6D+1 0.00000 0.00000 -0.06778 0.00000 0.00000 128 6D-1 -0.01168 0.03258 0.00000 0.02947 0.04411 129 6D+2 -0.02157 0.07094 0.00000 0.00818 -0.02686 130 6D-2 0.00000 0.00000 -0.07173 0.00000 0.00000 131 7D 0 0.85312 0.20152 0.00000 -0.12092 0.06732 132 7D+1 0.00000 0.00000 0.17301 0.00000 0.00000 133 7D-1 -0.25387 1.60634 0.00000 -0.34353 -0.87766 134 7D+2 0.19486 -0.24634 0.00000 0.26840 0.69608 135 7D-2 0.00000 0.00000 -0.23892 0.00000 0.00000 136 6 N 1S -0.02638 -0.02937 0.00000 -0.01641 0.00000 137 2S -0.06370 -0.06664 0.00000 -0.03222 0.00000 138 2PX 0.00000 0.00000 -0.04791 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.02811 140 2PZ -0.04435 0.03218 0.00000 -0.02821 0.00000 141 3S 0.97559 0.96209 0.00000 0.33385 0.00000 142 3PX 0.00000 0.00000 0.01827 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.01451 144 3PZ -0.15961 -0.11799 0.00000 -0.09582 0.00000 145 4S -4.89768 -0.68676 0.00000 -1.12641 0.00000 146 4PX 0.00000 0.00000 -0.58634 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.00000 -0.59438 148 4PZ 1.19104 1.02133 0.00000 0.59951 0.00000 149 5S -2.84737 -0.75137 0.00000 -1.40505 0.00000 150 5PX 0.00000 0.00000 0.48677 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 0.03544 152 5PZ 0.73036 -0.17925 0.00000 0.18694 0.00000 153 6D 0 -0.00740 -0.00038 0.00000 -0.01436 0.00000 154 6D+1 0.00000 0.00000 -0.00661 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.03267 156 6D+2 0.01477 0.02423 0.00000 0.01824 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.41811 -0.43055 0.00000 -0.06789 0.00000 159 7D+1 0.00000 0.00000 0.18898 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.04593 161 7D+2 0.79836 0.09589 0.00000 -0.00788 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.15635 -0.17718 0.00000 -0.19468 -0.02991 164 2S 0.00352 -1.22941 0.00000 1.07637 1.59923 165 3S 0.45201 0.28151 0.00000 -0.21815 -0.72042 166 4PX 0.00000 0.00000 0.03113 0.00000 0.00000 167 4PY 0.28641 0.65908 0.00000 -0.23524 -0.43465 168 4PZ -0.26266 -0.03434 0.00000 -0.16639 -0.34531 169 8 H 1S 0.43539 -0.20938 0.00000 0.23927 0.42182 170 2S -1.88550 1.68715 0.00000 -3.29577 -4.00639 171 3S 0.06936 -0.42236 0.00000 0.97841 0.94470 172 4PX 0.00000 0.00000 -0.14563 0.00000 0.00000 173 4PY 0.32200 -0.84941 0.00000 0.85376 1.19812 174 4PZ -0.47100 -0.30098 0.00000 -0.65361 -0.64164 175 9 H 1S 0.72953 0.00245 0.00000 -0.17961 0.00000 176 2S -2.84816 1.00914 0.00000 4.22395 0.00000 177 3S 0.75002 -0.12742 0.00000 -1.31995 0.00000 178 4PX 0.00000 0.00000 -0.04639 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 -0.00975 180 4PZ -0.93189 0.59070 0.00000 1.48319 0.00000 181 10 H 1S 0.43539 -0.20938 0.00000 0.23927 -0.42182 182 2S -1.88550 1.68715 0.00000 -3.29577 4.00639 183 3S 0.06936 -0.42236 0.00000 0.97841 -0.94470 184 4PX 0.00000 0.00000 -0.14563 0.00000 0.00000 185 4PY -0.32200 0.84941 0.00000 -0.85376 1.19812 186 4PZ -0.47100 -0.30098 0.00000 -0.65361 0.64164 187 11 H 1S 0.15635 -0.17718 0.00000 -0.19468 0.02991 188 2S 0.00352 -1.22941 0.00000 1.07637 -1.59923 189 3S 0.45201 0.28151 0.00000 -0.21815 0.72042 190 4PX 0.00000 0.00000 0.03113 0.00000 0.00000 191 4PY -0.28641 -0.65908 0.00000 0.23524 -0.43465 192 4PZ -0.26266 -0.03434 0.00000 -0.16639 0.34531 136 137 138 139 140 (B2)--V (A1)--V (A2)--V (B1)--V (A2)--V Eigenvalues -- 2.78938 2.80445 2.81061 2.81299 2.83015 1 1 C 1S -0.01854 -0.02106 0.00000 0.00000 0.00000 2 2S -0.05628 -0.06062 0.00000 0.00000 0.00000 3 2PX 0.00000 0.00000 -0.69433 0.59155 0.58918 4 2PY -0.06344 0.00383 0.00000 0.00000 0.00000 5 2PZ 0.14654 0.08623 0.00000 0.00000 0.00000 6 3S 0.16026 0.23927 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.96208 -0.81205 -0.81256 8 3PY -1.01596 -0.43530 0.00000 0.00000 0.00000 9 3PZ 0.45055 0.75005 0.00000 0.00000 0.00000 10 4S 4.37097 6.30602 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 -0.38366 0.24008 0.37080 12 4PY -0.03908 0.27948 0.00000 0.00000 0.00000 13 4PZ 0.75792 -0.33378 0.00000 0.00000 0.00000 14 5S -3.57898 1.79089 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 0.18824 0.06849 -0.34431 16 5PY 2.46176 0.60696 0.00000 0.00000 0.00000 17 5PZ 3.01951 -0.44477 0.00000 0.00000 0.00000 18 6D 0 0.11076 0.08303 0.00000 0.00000 0.00000 19 6D+1 0.00000 0.00000 -0.05003 0.04281 -0.01671 20 6D-1 0.10641 0.03488 0.00000 0.00000 0.00000 21 6D+2 -0.06547 -0.07009 0.00000 0.00000 0.00000 22 6D-2 0.00000 0.00000 -0.10345 0.07031 0.02151 23 7D 0 -0.32669 0.68547 0.00000 0.00000 0.00000 24 7D+1 0.00000 0.00000 0.22508 0.05291 0.10020 25 7D-1 -1.34694 0.58470 0.00000 0.00000 0.00000 26 7D+2 -0.98188 -0.45583 0.00000 0.00000 0.00000 27 7D-2 0.00000 0.00000 0.04575 0.04705 0.01414 28 2 C 1S 0.00296 0.00569 0.00000 0.00000 0.00000 29 2S -0.00497 0.01129 0.00000 0.00000 0.00000 30 2PX 0.00000 0.00000 -0.59900 0.01173 -0.71035 31 2PY 0.00135 0.11040 0.00000 0.00000 0.00000 32 2PZ -0.06901 -0.13486 0.00000 0.00000 0.00000 33 3S 0.14459 -0.15564 0.00000 0.00000 0.00000 34 3PX 0.00000 0.00000 0.82418 -0.01639 0.97734 35 3PY -0.57134 -0.22224 0.00000 0.00000 0.00000 36 3PZ 0.08624 0.02662 0.00000 0.00000 0.00000 37 4S 0.07508 -4.04544 0.00000 0.00000 0.00000 38 4PX 0.00000 0.00000 -0.18480 0.08248 -0.38551 39 4PY -0.69271 -0.95917 0.00000 0.00000 0.00000 40 4PZ -1.04113 -1.27108 0.00000 0.00000 0.00000 41 5S 0.60269 -7.23236 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.06846 -0.30075 0.34988 43 5PY -2.19386 -1.56567 0.00000 0.00000 0.00000 44 5PZ 3.55584 0.05400 0.00000 0.00000 0.00000 45 6D 0 0.12347 0.07584 0.00000 0.00000 0.00000 46 6D+1 0.00000 0.00000 0.03552 -0.07893 -0.11306 47 6D-1 0.01663 0.00044 0.00000 0.00000 0.00000 48 6D+2 -0.03014 0.05345 0.00000 0.00000 0.00000 49 6D-2 0.00000 0.00000 -0.05289 0.04402 0.03427 50 7D 0 -0.03129 -0.02882 0.00000 0.00000 0.00000 51 7D+1 0.00000 0.00000 -0.24198 0.31419 0.10424 52 7D-1 -0.09885 0.94245 0.00000 0.00000 0.00000 53 7D+2 0.10227 0.13564 0.00000 0.00000 0.00000 54 7D-2 0.00000 0.00000 0.03070 -0.18305 -0.03252 55 3 C 1S 0.00000 -0.00370 0.00000 0.00000 0.00000 56 2S 0.00000 -0.00766 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 -1.01100 0.00000 58 2PY 0.16781 0.00000 0.00000 0.00000 0.00000 59 2PZ 0.00000 -0.06816 0.00000 0.00000 0.00000 60 3S 0.00000 0.43593 0.00000 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 1.38893 0.00000 62 3PY -0.40366 0.00000 0.00000 0.00000 0.00000 63 3PZ 0.00000 0.94126 0.00000 0.00000 0.00000 64 4S 0.00000 1.85748 0.00000 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 -0.50728 0.00000 66 4PY 0.58336 0.00000 0.00000 0.00000 0.00000 67 4PZ 0.00000 2.42221 0.00000 0.00000 0.00000 68 5S 0.00000 11.48858 0.00000 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.54834 0.00000 70 5PY -3.67174 0.00000 0.00000 0.00000 0.00000 71 5PZ 0.00000 1.98971 0.00000 0.00000 0.00000 72 6D 0 0.00000 0.06865 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 -0.04864 0.00000 74 6D-1 0.09903 0.00000 0.00000 0.00000 0.00000 75 6D+2 0.00000 0.14090 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.04298 0.00000 -0.18633 77 7D 0 0.00000 -1.02187 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 -0.07758 0.00000 79 7D-1 -0.37865 0.00000 0.00000 0.00000 0.00000 80 7D+2 0.00000 -0.31166 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.36706 0.00000 0.29357 82 4 C 1S -0.00296 0.00569 0.00000 0.00000 0.00000 83 2S 0.00497 0.01129 0.00000 0.00000 0.00000 84 2PX 0.00000 0.00000 0.59900 0.01173 0.71035 85 2PY 0.00135 -0.11040 0.00000 0.00000 0.00000 86 2PZ 0.06901 -0.13486 0.00000 0.00000 0.00000 87 3S -0.14459 -0.15564 0.00000 0.00000 0.00000 88 3PX 0.00000 0.00000 -0.82418 -0.01639 -0.97734 89 3PY -0.57134 0.22224 0.00000 0.00000 0.00000 90 3PZ -0.08624 0.02662 0.00000 0.00000 0.00000 91 4S -0.07508 -4.04544 0.00000 0.00000 0.00000 92 4PX 0.00000 0.00000 0.18480 0.08248 0.38551 93 4PY -0.69271 0.95917 0.00000 0.00000 0.00000 94 4PZ 1.04113 -1.27108 0.00000 0.00000 0.00000 95 5S -0.60269 -7.23236 0.00000 0.00000 0.00000 96 5PX 0.00000 0.00000 -0.06846 -0.30075 -0.34988 97 5PY -2.19386 1.56567 0.00000 0.00000 0.00000 98 5PZ -3.55584 0.05400 0.00000 0.00000 0.00000 99 6D 0 -0.12347 0.07584 0.00000 0.00000 0.00000 100 6D+1 0.00000 0.00000 -0.03552 -0.07893 0.11306 101 6D-1 0.01663 -0.00044 0.00000 0.00000 0.00000 102 6D+2 0.03014 0.05345 0.00000 0.00000 0.00000 103 6D-2 0.00000 0.00000 -0.05289 -0.04402 0.03427 104 7D 0 0.03129 -0.02882 0.00000 0.00000 0.00000 105 7D+1 0.00000 0.00000 0.24198 0.31419 -0.10424 106 7D-1 -0.09885 -0.94245 0.00000 0.00000 0.00000 107 7D+2 -0.10227 0.13564 0.00000 0.00000 0.00000 108 7D-2 0.00000 0.00000 0.03070 0.18305 -0.03252 109 5 C 1S 0.01854 -0.02106 0.00000 0.00000 0.00000 110 2S 0.05628 -0.06062 0.00000 0.00000 0.00000 111 2PX 0.00000 0.00000 0.69433 0.59155 -0.58918 112 2PY -0.06344 -0.00383 0.00000 0.00000 0.00000 113 2PZ -0.14654 0.08623 0.00000 0.00000 0.00000 114 3S -0.16026 0.23927 0.00000 0.00000 0.00000 115 3PX 0.00000 0.00000 -0.96208 -0.81205 0.81256 116 3PY -1.01596 0.43530 0.00000 0.00000 0.00000 117 3PZ -0.45055 0.75005 0.00000 0.00000 0.00000 118 4S -4.37097 6.30602 0.00000 0.00000 0.00000 119 4PX 0.00000 0.00000 0.38366 0.24008 -0.37080 120 4PY -0.03908 -0.27948 0.00000 0.00000 0.00000 121 4PZ -0.75792 -0.33378 0.00000 0.00000 0.00000 122 5S 3.57898 1.79089 0.00000 0.00000 0.00000 123 5PX 0.00000 0.00000 -0.18824 0.06849 0.34431 124 5PY 2.46176 -0.60696 0.00000 0.00000 0.00000 125 5PZ -3.01951 -0.44477 0.00000 0.00000 0.00000 126 6D 0 -0.11076 0.08303 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.05003 0.04281 0.01671 128 6D-1 0.10641 -0.03488 0.00000 0.00000 0.00000 129 6D+2 0.06547 -0.07009 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 -0.10345 -0.07031 0.02151 131 7D 0 0.32669 0.68547 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 -0.22508 0.05291 -0.10020 133 7D-1 -1.34694 -0.58470 0.00000 0.00000 0.00000 134 7D+2 0.98188 -0.45583 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.04575 -0.04705 0.01414 136 6 N 1S 0.00000 0.01013 0.00000 0.00000 0.00000 137 2S 0.00000 0.01031 0.00000 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 -0.01381 0.00000 139 2PY 0.11761 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.00000 0.00022 0.00000 0.00000 0.00000 141 3S 0.00000 0.18297 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.01108 0.00000 143 3PY -0.28486 0.00000 0.00000 0.00000 0.00000 144 3PZ 0.00000 0.08274 0.00000 0.00000 0.00000 145 4S 0.00000 -4.61682 0.00000 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.07693 0.00000 147 4PY 0.33763 0.00000 0.00000 0.00000 0.00000 148 4PZ 0.00000 0.68142 0.00000 0.00000 0.00000 149 5S 0.00000 -2.47728 0.00000 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.17274 0.00000 151 5PY 3.16018 0.00000 0.00000 0.00000 0.00000 152 5PZ 0.00000 0.78134 0.00000 0.00000 0.00000 153 6D 0 0.00000 0.00750 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 -0.00145 0.00000 155 6D-1 0.02764 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.00000 -0.01396 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.01629 0.00000 0.01438 158 7D 0 0.00000 0.64078 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 -0.07775 0.00000 160 7D-1 -0.03563 0.00000 0.00000 0.00000 0.00000 161 7D+2 0.00000 0.92074 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.32659 0.00000 -0.12725 163 7 H 1S -0.53322 0.79684 0.00000 0.00000 0.00000 164 2S 4.04641 -2.58014 0.00000 0.00000 0.00000 165 3S -1.44013 0.68054 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.15850 0.11515 -0.07130 167 4PY -1.06716 0.79159 0.00000 0.00000 0.00000 168 4PZ -0.74499 0.34899 0.00000 0.00000 0.00000 169 8 H 1S -0.32972 0.03991 0.00000 0.00000 0.00000 170 2S 0.98422 -0.57280 0.00000 0.00000 0.00000 171 3S 0.16923 0.12296 0.00000 0.00000 0.00000 172 4PX 0.00000 0.00000 0.15875 -0.01008 0.10677 173 4PY -0.25938 0.21063 0.00000 0.00000 0.00000 174 4PZ 0.14125 0.19130 0.00000 0.00000 0.00000 175 9 H 1S 0.00000 -0.29215 0.00000 0.00000 0.00000 176 2S 0.00000 2.44494 0.00000 0.00000 0.00000 177 3S 0.00000 -0.24280 0.00000 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 -0.21570 0.00000 179 4PY -0.09837 0.00000 0.00000 0.00000 0.00000 180 4PZ 0.00000 0.63666 0.00000 0.00000 0.00000 181 10 H 1S 0.32972 0.03991 0.00000 0.00000 0.00000 182 2S -0.98422 -0.57280 0.00000 0.00000 0.00000 183 3S -0.16923 0.12296 0.00000 0.00000 0.00000 184 4PX 0.00000 0.00000 -0.15875 -0.01008 -0.10677 185 4PY -0.25938 -0.21063 0.00000 0.00000 0.00000 186 4PZ -0.14125 0.19130 0.00000 0.00000 0.00000 187 11 H 1S 0.53322 0.79684 0.00000 0.00000 0.00000 188 2S -4.04641 -2.58014 0.00000 0.00000 0.00000 189 3S 1.44013 0.68054 0.00000 0.00000 0.00000 190 4PX 0.00000 0.00000 -0.15850 0.11515 0.07130 191 4PY -1.06716 -0.79159 0.00000 0.00000 0.00000 192 4PZ 0.74499 0.34899 0.00000 0.00000 0.00000 141 142 143 144 145 (B2)--V (B1)--V (B2)--V (A2)--V (A1)--V Eigenvalues -- 2.99237 3.00789 3.05730 3.09014 3.09059 1 1 C 1S -0.00362 0.00000 -0.01522 0.00000 0.01198 2 2S -0.00467 0.00000 -0.02236 0.00000 0.02322 3 2PX 0.00000 -0.56437 0.00000 0.19907 0.00000 4 2PY 0.27339 0.00000 -0.09693 0.00000 0.08084 5 2PZ -0.26805 0.00000 0.00436 0.00000 0.08853 6 3S 0.14796 0.00000 -0.29764 0.00000 -0.18335 7 3PX 0.00000 0.84360 0.00000 -0.25698 0.00000 8 3PY -0.64088 0.00000 -0.00658 0.00000 -0.04685 9 3PZ 0.50159 0.00000 0.16382 0.00000 -0.10413 10 4S -2.94886 0.00000 3.90751 0.00000 0.57226 11 4PX 0.00000 -0.16628 0.00000 0.19835 0.00000 12 4PY -2.05713 0.00000 1.17226 0.00000 0.20423 13 4PZ 2.18059 0.00000 -1.30343 0.00000 -0.03574 14 5S -2.13061 0.00000 -3.99399 0.00000 2.16316 15 5PX 0.00000 -0.05837 0.00000 -0.11882 0.00000 16 5PY 0.01807 0.00000 -0.53429 0.00000 0.14943 17 5PZ 0.72424 0.00000 0.72990 0.00000 -0.51267 18 6D 0 -0.09767 0.00000 -0.37214 0.00000 0.35923 19 6D+1 0.00000 0.16605 0.00000 -0.44180 0.00000 20 6D-1 0.09356 0.00000 0.09635 0.00000 0.11455 21 6D+2 0.00525 0.00000 -0.10339 0.00000 -0.10348 22 6D-2 0.00000 -0.04042 0.00000 -0.11782 0.00000 23 7D 0 -0.07494 0.00000 0.66174 0.00000 -0.48602 24 7D+1 0.00000 -0.33963 0.00000 0.20074 0.00000 25 7D-1 1.40351 0.00000 -0.90660 0.00000 -0.25350 26 7D+2 0.05661 0.00000 -0.40627 0.00000 -0.05965 27 7D-2 0.00000 0.26406 0.00000 -0.04676 0.00000 28 2 C 1S -0.01062 0.00000 0.01189 0.00000 0.01423 29 2S -0.02751 0.00000 0.02390 0.00000 0.01830 30 2PX 0.00000 0.56227 0.00000 -0.05736 0.00000 31 2PY -0.30205 0.00000 -0.00953 0.00000 0.01111 32 2PZ -0.15690 0.00000 0.32105 0.00000 -0.12082 33 3S 0.25581 0.00000 -0.05404 0.00000 0.31743 34 3PX 0.00000 -0.86297 0.00000 0.08347 0.00000 35 3PY 0.69946 0.00000 -0.02479 0.00000 0.19126 36 3PZ 0.18373 0.00000 -0.47508 0.00000 0.30755 37 4S 4.19847 0.00000 -3.62337 0.00000 -1.97004 38 4PX 0.00000 0.06102 0.00000 -0.08193 0.00000 39 4PY 2.35459 0.00000 -1.78987 0.00000 -1.09419 40 4PZ 1.96240 0.00000 -0.58749 0.00000 -0.46045 41 5S 0.62507 0.00000 4.64710 0.00000 -1.70570 42 5PX 0.00000 -0.05966 0.00000 0.06566 0.00000 43 5PY -0.03506 0.00000 0.66507 0.00000 -0.20076 44 5PZ 1.01153 0.00000 0.23818 0.00000 -0.59567 45 6D 0 -0.22399 0.00000 -0.33535 0.00000 0.32266 46 6D+1 0.00000 -0.13451 0.00000 0.46920 0.00000 47 6D-1 -0.05240 0.00000 -0.25465 0.00000 -0.17276 48 6D+2 -0.12379 0.00000 -0.15257 0.00000 -0.31347 49 6D-2 0.00000 -0.03385 0.00000 -0.21751 0.00000 50 7D 0 0.05173 0.00000 0.52069 0.00000 0.17934 51 7D+1 0.00000 -0.15128 0.00000 -0.24711 0.00000 52 7D-1 1.72120 0.00000 -0.36404 0.00000 -0.20866 53 7D+2 -0.21006 0.00000 0.76349 0.00000 0.80931 54 7D-2 0.00000 -0.39793 0.00000 0.20248 0.00000 55 3 C 1S 0.00000 0.00000 0.00000 0.00000 0.00125 56 2S 0.00000 0.00000 0.00000 0.00000 -0.00236 57 2PX 0.00000 -0.61513 0.00000 0.00000 0.00000 58 2PY -0.10283 0.00000 0.35217 0.00000 0.00000 59 2PZ 0.00000 0.00000 0.00000 0.00000 -0.14292 60 3S 0.00000 0.00000 0.00000 0.00000 0.13477 61 3PX 0.00000 0.93769 0.00000 0.00000 0.00000 62 3PY -0.31881 0.00000 -0.50339 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.00000 0.47371 64 4S 0.00000 0.00000 0.00000 0.00000 2.77026 65 4PX 0.00000 -0.09954 0.00000 0.00000 0.00000 66 4PY 0.94228 0.00000 -0.06628 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.00000 1.64664 68 5S 0.00000 0.00000 0.00000 0.00000 -0.10234 69 5PX 0.00000 0.11966 0.00000 0.00000 0.00000 70 5PY -1.40128 0.00000 0.71689 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00000 0.07437 72 6D 0 0.00000 0.00000 0.00000 0.00000 0.00871 73 6D+1 0.00000 -0.01635 0.00000 0.00000 0.00000 74 6D-1 -0.28274 0.00000 -0.39623 0.00000 0.00000 75 6D+2 0.00000 0.00000 0.00000 0.00000 -0.46054 76 6D-2 0.00000 0.00000 0.00000 0.53172 0.00000 77 7D 0 0.00000 0.00000 0.00000 0.00000 0.87722 78 7D+1 0.00000 0.46614 0.00000 0.00000 0.00000 79 7D-1 1.39060 0.00000 -0.00893 0.00000 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.55240 81 7D-2 0.00000 0.00000 0.00000 -0.21837 0.00000 82 4 C 1S 0.01062 0.00000 -0.01189 0.00000 0.01423 83 2S 0.02751 0.00000 -0.02390 0.00000 0.01830 84 2PX 0.00000 0.56227 0.00000 0.05736 0.00000 85 2PY -0.30205 0.00000 -0.00953 0.00000 -0.01111 86 2PZ 0.15690 0.00000 -0.32105 0.00000 -0.12082 87 3S -0.25581 0.00000 0.05404 0.00000 0.31743 88 3PX 0.00000 -0.86297 0.00000 -0.08347 0.00000 89 3PY 0.69946 0.00000 -0.02479 0.00000 -0.19126 90 3PZ -0.18373 0.00000 0.47508 0.00000 0.30755 91 4S -4.19847 0.00000 3.62337 0.00000 -1.97004 92 4PX 0.00000 0.06102 0.00000 0.08193 0.00000 93 4PY 2.35459 0.00000 -1.78987 0.00000 1.09419 94 4PZ -1.96240 0.00000 0.58749 0.00000 -0.46045 95 5S -0.62507 0.00000 -4.64710 0.00000 -1.70570 96 5PX 0.00000 -0.05966 0.00000 -0.06566 0.00000 97 5PY -0.03506 0.00000 0.66507 0.00000 0.20076 98 5PZ -1.01153 0.00000 -0.23818 0.00000 -0.59567 99 6D 0 0.22399 0.00000 0.33535 0.00000 0.32266 100 6D+1 0.00000 -0.13451 0.00000 -0.46920 0.00000 101 6D-1 -0.05240 0.00000 -0.25465 0.00000 0.17276 102 6D+2 0.12379 0.00000 0.15257 0.00000 -0.31347 103 6D-2 0.00000 0.03385 0.00000 -0.21751 0.00000 104 7D 0 -0.05173 0.00000 -0.52069 0.00000 0.17934 105 7D+1 0.00000 -0.15128 0.00000 0.24711 0.00000 106 7D-1 1.72120 0.00000 -0.36404 0.00000 0.20866 107 7D+2 0.21006 0.00000 -0.76349 0.00000 0.80931 108 7D-2 0.00000 0.39793 0.00000 0.20248 0.00000 109 5 C 1S 0.00362 0.00000 0.01522 0.00000 0.01198 110 2S 0.00467 0.00000 0.02236 0.00000 0.02322 111 2PX 0.00000 -0.56437 0.00000 -0.19907 0.00000 112 2PY 0.27339 0.00000 -0.09693 0.00000 -0.08084 113 2PZ 0.26805 0.00000 -0.00436 0.00000 0.08853 114 3S -0.14796 0.00000 0.29764 0.00000 -0.18335 115 3PX 0.00000 0.84360 0.00000 0.25698 0.00000 116 3PY -0.64088 0.00000 -0.00658 0.00000 0.04685 117 3PZ -0.50159 0.00000 -0.16382 0.00000 -0.10413 118 4S 2.94886 0.00000 -3.90751 0.00000 0.57226 119 4PX 0.00000 -0.16628 0.00000 -0.19835 0.00000 120 4PY -2.05713 0.00000 1.17226 0.00000 -0.20423 121 4PZ -2.18059 0.00000 1.30343 0.00000 -0.03574 122 5S 2.13061 0.00000 3.99399 0.00000 2.16316 123 5PX 0.00000 -0.05837 0.00000 0.11882 0.00000 124 5PY 0.01807 0.00000 -0.53429 0.00000 -0.14943 125 5PZ -0.72424 0.00000 -0.72990 0.00000 -0.51267 126 6D 0 0.09767 0.00000 0.37214 0.00000 0.35923 127 6D+1 0.00000 0.16605 0.00000 0.44180 0.00000 128 6D-1 0.09356 0.00000 0.09635 0.00000 -0.11455 129 6D+2 -0.00525 0.00000 0.10339 0.00000 -0.10348 130 6D-2 0.00000 0.04042 0.00000 -0.11782 0.00000 131 7D 0 0.07494 0.00000 -0.66174 0.00000 -0.48602 132 7D+1 0.00000 -0.33963 0.00000 -0.20074 0.00000 133 7D-1 1.40351 0.00000 -0.90660 0.00000 0.25350 134 7D+2 -0.05661 0.00000 0.40627 0.00000 -0.05965 135 7D-2 0.00000 -0.26406 0.00000 -0.04676 0.00000 136 6 N 1S 0.00000 0.00000 0.00000 0.00000 0.00760 137 2S 0.00000 0.00000 0.00000 0.00000 0.01221 138 2PX 0.00000 -0.10532 0.00000 0.00000 0.00000 139 2PY 0.15762 0.00000 0.06429 0.00000 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.02565 141 3S 0.00000 0.00000 0.00000 0.00000 -0.13695 142 3PX 0.00000 0.10277 0.00000 0.00000 0.00000 143 3PY 0.16491 0.00000 -0.15727 0.00000 0.00000 144 3PZ 0.00000 0.00000 0.00000 0.00000 0.07742 145 4S 0.00000 0.00000 0.00000 0.00000 0.49900 146 4PX 0.00000 -0.39654 0.00000 0.00000 0.00000 147 4PY 0.51365 0.00000 0.90877 0.00000 0.00000 148 4PZ 0.00000 0.00000 0.00000 0.00000 0.01262 149 5S 0.00000 0.00000 0.00000 0.00000 -1.13191 150 5PX 0.00000 0.34014 0.00000 0.00000 0.00000 151 5PY 0.60818 0.00000 -0.31826 0.00000 0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00000 0.33814 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00537 154 6D+1 0.00000 0.03704 0.00000 0.00000 0.00000 155 6D-1 0.00836 0.00000 0.05743 0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 -0.03153 157 6D-2 0.00000 0.00000 0.00000 0.02903 0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 -0.01957 159 7D+1 0.00000 0.33557 0.00000 0.00000 0.00000 160 7D-1 0.21804 0.00000 -0.23178 0.00000 0.00000 161 7D+2 0.00000 0.00000 0.00000 0.00000 -0.10244 162 7D-2 0.00000 0.00000 0.00000 -0.15575 0.00000 163 7 H 1S -0.54109 0.00000 0.19488 0.00000 -0.20211 164 2S 0.75976 0.00000 0.75172 0.00000 0.19446 165 3S 0.22742 0.00000 -0.40889 0.00000 -0.05715 166 4PX 0.00000 0.07620 0.00000 0.03063 0.00000 167 4PY 0.10832 0.00000 -0.37812 0.00000 -0.12241 168 4PZ -0.22037 0.00000 -0.05995 0.00000 -0.01652 169 8 H 1S 0.45980 0.00000 -0.25596 0.00000 -0.08324 170 2S -0.13840 0.00000 -0.29281 0.00000 0.98471 171 3S -0.56066 0.00000 0.45356 0.00000 -0.61008 172 4PX 0.00000 -0.11734 0.00000 -0.04140 0.00000 173 4PY -0.28524 0.00000 0.14127 0.00000 -0.27848 174 4PZ -0.15489 0.00000 -0.16346 0.00000 0.28837 175 9 H 1S 0.00000 0.00000 0.00000 0.00000 -0.50952 176 2S 0.00000 0.00000 0.00000 0.00000 0.42153 177 3S 0.00000 0.00000 0.00000 0.00000 0.11460 178 4PX 0.00000 0.10772 0.00000 0.00000 0.00000 179 4PY 0.42684 0.00000 -0.07835 0.00000 0.00000 180 4PZ 0.00000 0.00000 0.00000 0.00000 0.06980 181 10 H 1S -0.45980 0.00000 0.25596 0.00000 -0.08324 182 2S 0.13840 0.00000 0.29281 0.00000 0.98471 183 3S 0.56066 0.00000 -0.45356 0.00000 -0.61008 184 4PX 0.00000 -0.11734 0.00000 0.04140 0.00000 185 4PY -0.28524 0.00000 0.14127 0.00000 0.27848 186 4PZ 0.15489 0.00000 0.16346 0.00000 0.28837 187 11 H 1S 0.54109 0.00000 -0.19488 0.00000 -0.20211 188 2S -0.75976 0.00000 -0.75172 0.00000 0.19446 189 3S -0.22742 0.00000 0.40889 0.00000 -0.05715 190 4PX 0.00000 0.07620 0.00000 -0.03063 0.00000 191 4PY 0.10832 0.00000 -0.37812 0.00000 0.12241 192 4PZ 0.22037 0.00000 0.05995 0.00000 -0.01652 146 147 148 149 150 (B1)--V (B2)--V (A1)--V (B2)--V (B1)--V Eigenvalues -- 3.11092 3.18472 3.19845 3.25648 3.26082 1 1 C 1S 0.00000 0.01142 0.01115 -0.00441 0.00000 2 2S 0.00000 0.03076 0.02677 -0.00589 0.00000 3 2PX -0.01861 0.00000 0.00000 0.00000 -0.03595 4 2PY 0.00000 0.22280 0.20043 0.03818 0.00000 5 2PZ 0.00000 0.41383 0.11229 -0.41585 0.00000 6 3S 0.00000 -0.47392 -0.40134 -0.24400 0.00000 7 3PX 0.04355 0.00000 0.00000 0.00000 0.13188 8 3PY 0.00000 -0.50907 -0.12350 -0.12294 0.00000 9 3PZ 0.00000 -0.37190 0.04955 0.78952 0.00000 10 4S 0.00000 -1.22900 1.06617 1.44118 0.00000 11 4PX 0.05959 0.00000 0.00000 0.00000 0.14126 12 4PY 0.00000 -0.85351 1.21184 1.48101 0.00000 13 4PZ 0.00000 -0.01048 -1.33010 -0.03334 0.00000 14 5S 0.00000 3.58194 0.56846 0.83549 0.00000 15 5PX -0.02554 0.00000 0.00000 0.00000 0.12681 16 5PY 0.00000 1.34767 0.56620 -0.31680 0.00000 17 5PZ 0.00000 -0.01508 0.15294 -0.71666 0.00000 18 6D 0 0.00000 -0.35163 -0.05662 -0.16194 0.00000 19 6D+1 -0.25578 0.00000 0.00000 0.00000 -0.49819 20 6D-1 0.00000 0.00767 0.14909 -0.07731 0.00000 21 6D+2 0.00000 0.07061 0.10218 0.26805 0.00000 22 6D-2 0.38885 0.00000 0.00000 0.00000 -0.07532 23 7D 0 0.00000 0.70759 -0.02389 0.32111 0.00000 24 7D+1 0.04327 0.00000 0.00000 0.00000 0.26648 25 7D-1 0.00000 -0.50135 -2.24927 0.14691 0.00000 26 7D+2 0.00000 0.38019 0.00462 -0.23347 0.00000 27 7D-2 -0.05718 0.00000 0.00000 0.00000 0.07776 28 2 C 1S 0.00000 0.00259 -0.00156 -0.00661 0.00000 29 2S 0.00000 0.01797 -0.00773 -0.00258 0.00000 30 2PX 0.22770 0.00000 0.00000 0.00000 0.17465 31 2PY 0.00000 0.32579 0.21212 -0.16200 0.00000 32 2PZ 0.00000 -0.40826 -0.24240 0.31117 0.00000 33 3S 0.00000 -0.70330 0.56654 -0.67519 0.00000 34 3PX -0.30424 0.00000 0.00000 0.00000 -0.25657 35 3PY 0.00000 -0.68534 -0.26174 -0.36757 0.00000 36 3PZ 0.00000 0.22410 0.18889 -0.49265 0.00000 37 4S 0.00000 1.24858 -6.24077 1.03444 0.00000 38 4PX 0.10392 0.00000 0.00000 0.00000 0.14379 39 4PY 0.00000 0.43067 -4.91054 -0.73365 0.00000 40 4PZ 0.00000 -0.16661 -2.13987 -0.27140 0.00000 41 5S 0.00000 -2.96579 -2.13909 -1.38181 0.00000 42 5PX -0.07487 0.00000 0.00000 0.00000 -0.26561 43 5PY 0.00000 -0.84876 -1.01430 0.14383 0.00000 44 5PZ 0.00000 0.42671 -0.44699 -0.66751 0.00000 45 6D 0 0.00000 -0.28573 -0.11562 -0.19716 0.00000 46 6D+1 0.19403 0.00000 0.00000 0.00000 0.48208 47 6D-1 0.00000 -0.03578 0.10566 0.21261 0.00000 48 6D+2 0.00000 0.12625 0.02212 0.33706 0.00000 49 6D-2 0.42436 0.00000 0.00000 0.00000 -0.23529 50 7D 0 0.00000 0.68298 1.53138 0.48992 0.00000 51 7D+1 -0.10887 0.00000 0.00000 0.00000 -0.40549 52 7D-1 0.00000 -0.05292 -2.67106 -0.04719 0.00000 53 7D+2 0.00000 -0.16688 1.35779 -0.61811 0.00000 54 7D-2 -0.25264 0.00000 0.00000 0.00000 -0.04281 55 3 C 1S 0.00000 0.00000 -0.00247 0.00000 0.00000 56 2S 0.00000 0.00000 0.00404 0.00000 0.00000 57 2PX 0.00625 0.00000 0.00000 0.00000 -0.24043 58 2PY 0.00000 -0.51840 0.00000 0.13400 0.00000 59 2PZ 0.00000 0.00000 0.08438 0.00000 0.00000 60 3S 0.00000 0.00000 -0.98613 0.00000 0.00000 61 3PX 0.04556 0.00000 0.00000 0.00000 0.27905 62 3PY 0.00000 0.57005 0.00000 0.07840 0.00000 63 3PZ 0.00000 0.00000 -0.08268 0.00000 0.00000 64 4S 0.00000 0.00000 8.68722 0.00000 0.00000 65 4PX 0.09211 0.00000 0.00000 0.00000 -0.29120 66 4PY 0.00000 0.17228 0.00000 -0.06542 0.00000 67 4PZ 0.00000 0.00000 7.15644 0.00000 0.00000 68 5S 0.00000 0.00000 3.54035 0.00000 0.00000 69 5PX 0.01526 0.00000 0.00000 0.00000 0.35801 70 5PY 0.00000 -0.87861 0.00000 0.44594 0.00000 71 5PZ 0.00000 0.00000 1.52226 0.00000 0.00000 72 6D 0 0.00000 0.00000 -0.20119 0.00000 0.00000 73 6D+1 0.53099 0.00000 0.00000 0.00000 -0.41826 74 6D-1 0.00000 0.12238 0.00000 0.48291 0.00000 75 6D+2 0.00000 0.00000 0.20686 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 3.52609 0.00000 0.00000 78 7D+1 -0.08538 0.00000 0.00000 0.00000 0.55512 79 7D-1 0.00000 -0.62118 0.00000 -1.33912 0.00000 80 7D+2 0.00000 0.00000 0.99065 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 -0.00259 -0.00156 0.00661 0.00000 83 2S 0.00000 -0.01797 -0.00773 0.00258 0.00000 84 2PX 0.22770 0.00000 0.00000 0.00000 0.17465 85 2PY 0.00000 0.32579 -0.21212 -0.16200 0.00000 86 2PZ 0.00000 0.40826 -0.24240 -0.31117 0.00000 87 3S 0.00000 0.70330 0.56654 0.67519 0.00000 88 3PX -0.30424 0.00000 0.00000 0.00000 -0.25657 89 3PY 0.00000 -0.68534 0.26174 -0.36757 0.00000 90 3PZ 0.00000 -0.22410 0.18889 0.49265 0.00000 91 4S 0.00000 -1.24858 -6.24077 -1.03444 0.00000 92 4PX 0.10392 0.00000 0.00000 0.00000 0.14379 93 4PY 0.00000 0.43067 4.91054 -0.73365 0.00000 94 4PZ 0.00000 0.16661 -2.13987 0.27140 0.00000 95 5S 0.00000 2.96579 -2.13909 1.38181 0.00000 96 5PX -0.07487 0.00000 0.00000 0.00000 -0.26561 97 5PY 0.00000 -0.84876 1.01430 0.14383 0.00000 98 5PZ 0.00000 -0.42671 -0.44699 0.66751 0.00000 99 6D 0 0.00000 0.28573 -0.11562 0.19716 0.00000 100 6D+1 0.19403 0.00000 0.00000 0.00000 0.48208 101 6D-1 0.00000 -0.03578 -0.10566 0.21261 0.00000 102 6D+2 0.00000 -0.12625 0.02212 -0.33706 0.00000 103 6D-2 -0.42436 0.00000 0.00000 0.00000 0.23529 104 7D 0 0.00000 -0.68298 1.53138 -0.48992 0.00000 105 7D+1 -0.10887 0.00000 0.00000 0.00000 -0.40549 106 7D-1 0.00000 -0.05292 2.67106 -0.04719 0.00000 107 7D+2 0.00000 0.16688 1.35779 0.61811 0.00000 108 7D-2 0.25264 0.00000 0.00000 0.00000 0.04281 109 5 C 1S 0.00000 -0.01142 0.01115 0.00441 0.00000 110 2S 0.00000 -0.03076 0.02677 0.00589 0.00000 111 2PX -0.01861 0.00000 0.00000 0.00000 -0.03595 112 2PY 0.00000 0.22280 -0.20043 0.03818 0.00000 113 2PZ 0.00000 -0.41383 0.11229 0.41585 0.00000 114 3S 0.00000 0.47392 -0.40134 0.24400 0.00000 115 3PX 0.04355 0.00000 0.00000 0.00000 0.13188 116 3PY 0.00000 -0.50907 0.12350 -0.12294 0.00000 117 3PZ 0.00000 0.37190 0.04955 -0.78952 0.00000 118 4S 0.00000 1.22900 1.06617 -1.44118 0.00000 119 4PX 0.05959 0.00000 0.00000 0.00000 0.14126 120 4PY 0.00000 -0.85351 -1.21184 1.48101 0.00000 121 4PZ 0.00000 0.01048 -1.33010 0.03334 0.00000 122 5S 0.00000 -3.58194 0.56846 -0.83549 0.00000 123 5PX -0.02554 0.00000 0.00000 0.00000 0.12681 124 5PY 0.00000 1.34767 -0.56620 -0.31680 0.00000 125 5PZ 0.00000 0.01508 0.15294 0.71666 0.00000 126 6D 0 0.00000 0.35163 -0.05662 0.16194 0.00000 127 6D+1 -0.25578 0.00000 0.00000 0.00000 -0.49819 128 6D-1 0.00000 0.00767 -0.14909 -0.07731 0.00000 129 6D+2 0.00000 -0.07061 0.10218 -0.26805 0.00000 130 6D-2 -0.38885 0.00000 0.00000 0.00000 0.07532 131 7D 0 0.00000 -0.70759 -0.02389 -0.32111 0.00000 132 7D+1 0.04327 0.00000 0.00000 0.00000 0.26648 133 7D-1 0.00000 -0.50135 2.24927 0.14691 0.00000 134 7D+2 0.00000 -0.38019 0.00462 0.23347 0.00000 135 7D-2 0.05718 0.00000 0.00000 0.00000 -0.07776 136 6 N 1S 0.00000 0.00000 -0.02931 0.00000 0.00000 137 2S 0.00000 0.00000 -0.06567 0.00000 0.00000 138 2PX -0.12580 0.00000 0.00000 0.00000 0.13003 139 2PY 0.00000 -0.17356 0.00000 -0.07243 0.00000 140 2PZ 0.00000 0.00000 0.10385 0.00000 0.00000 141 3S 0.00000 0.00000 0.81820 0.00000 0.00000 142 3PX 0.13369 0.00000 0.00000 0.00000 -0.17112 143 3PY 0.00000 -0.25523 0.00000 0.13315 0.00000 144 3PZ 0.00000 0.00000 -0.26503 0.00000 0.00000 145 4S 0.00000 0.00000 1.88876 0.00000 0.00000 146 4PX -0.14765 0.00000 0.00000 0.00000 -0.14218 147 4PY 0.00000 -1.00742 0.00000 1.47408 0.00000 148 4PZ 0.00000 0.00000 0.17908 0.00000 0.00000 149 5S 0.00000 0.00000 -0.80311 0.00000 0.00000 150 5PX 0.09761 0.00000 0.00000 0.00000 -0.17834 151 5PY 0.00000 1.07875 0.00000 -0.62521 0.00000 152 5PZ 0.00000 0.00000 -0.34567 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.01976 0.00000 0.00000 154 6D+1 -0.01366 0.00000 0.00000 0.00000 0.00967 155 6D-1 0.00000 -0.01327 0.00000 -0.08903 0.00000 156 6D+2 0.00000 0.00000 0.01172 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 -0.45604 0.00000 0.00000 159 7D+1 0.06551 0.00000 0.00000 0.00000 -0.02069 160 7D-1 0.00000 0.43425 0.00000 0.07663 0.00000 161 7D+2 0.00000 0.00000 -0.31598 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 -0.12489 -0.36225 -0.02883 0.00000 164 2S 0.00000 0.41318 -0.49965 0.17114 0.00000 165 3S 0.00000 -0.16057 0.89120 -0.40161 0.00000 166 4PX 0.06982 0.00000 0.00000 0.00000 -0.03593 167 4PY 0.00000 -0.17824 0.23801 -0.16967 0.00000 168 4PZ 0.00000 0.18422 -0.16902 -0.00652 0.00000 169 8 H 1S 0.00000 -0.10010 0.81874 -0.24645 0.00000 170 2S 0.00000 0.49128 0.60269 1.47078 0.00000 171 3S 0.00000 -0.22745 -1.68833 -0.11283 0.00000 172 4PX 0.00461 0.00000 0.00000 0.00000 -0.09452 173 4PY 0.00000 -0.18754 -0.36102 -0.36918 0.00000 174 4PZ 0.00000 -0.05041 0.19319 0.13412 0.00000 175 9 H 1S 0.00000 0.00000 -0.84506 0.00000 0.00000 176 2S 0.00000 0.00000 -0.87077 0.00000 0.00000 177 3S 0.00000 0.00000 2.40944 0.00000 0.00000 178 4PX 0.06688 0.00000 0.00000 0.00000 0.18708 179 4PY 0.00000 -0.18350 0.00000 -0.40153 0.00000 180 4PZ 0.00000 0.00000 -0.52479 0.00000 0.00000 181 10 H 1S 0.00000 0.10010 0.81874 0.24645 0.00000 182 2S 0.00000 -0.49128 0.60269 -1.47078 0.00000 183 3S 0.00000 0.22745 -1.68833 0.11283 0.00000 184 4PX 0.00461 0.00000 0.00000 0.00000 -0.09452 185 4PY 0.00000 -0.18754 0.36102 -0.36918 0.00000 186 4PZ 0.00000 0.05041 0.19319 -0.13412 0.00000 187 11 H 1S 0.00000 0.12489 -0.36225 0.02883 0.00000 188 2S 0.00000 -0.41318 -0.49965 -0.17114 0.00000 189 3S 0.00000 0.16057 0.89120 0.40161 0.00000 190 4PX 0.06982 0.00000 0.00000 0.00000 -0.03593 191 4PY 0.00000 -0.17824 -0.23801 -0.16967 0.00000 192 4PZ 0.00000 -0.18422 -0.16902 0.00652 0.00000 151 152 153 154 155 (A1)--V (A2)--V (B1)--V (A1)--V (A2)--V Eigenvalues -- 3.26504 3.27173 3.33103 3.40100 3.40980 1 1 C 1S -0.00655 0.00000 0.00000 0.01203 0.00000 2 2S -0.00295 0.00000 0.00000 0.03270 0.00000 3 2PX 0.00000 -0.08860 -0.03016 0.00000 -0.05454 4 2PY 0.03273 0.00000 0.00000 -0.16576 0.00000 5 2PZ -0.10707 0.00000 0.00000 0.47324 0.00000 6 3S -0.61940 0.00000 0.00000 -0.40054 0.00000 7 3PX 0.00000 0.19624 0.03733 0.00000 0.14789 8 3PY -0.06972 0.00000 0.00000 0.18150 0.00000 9 3PZ 0.75356 0.00000 0.00000 -0.74502 0.00000 10 4S 3.84762 0.00000 0.00000 0.29228 0.00000 11 4PX 0.00000 -0.08473 -0.21306 0.00000 -0.10081 12 4PY 0.88455 0.00000 0.00000 -0.27839 0.00000 13 4PZ -1.21307 0.00000 0.00000 -0.01422 0.00000 14 5S 2.99294 0.00000 0.00000 0.10466 0.00000 15 5PX 0.00000 0.04541 -0.06018 0.00000 -0.03994 16 5PY 0.38020 0.00000 0.00000 -0.14029 0.00000 17 5PZ -0.47651 0.00000 0.00000 -0.11004 0.00000 18 6D 0 -0.36319 0.00000 0.00000 -0.17140 0.00000 19 6D+1 0.00000 -0.41691 0.06269 0.00000 0.11417 20 6D-1 0.02400 0.00000 0.00000 -0.21538 0.00000 21 6D+2 0.14397 0.00000 0.00000 -0.11322 0.00000 22 6D-2 0.00000 0.11422 0.66043 0.00000 0.76583 23 7D 0 0.75789 0.00000 0.00000 0.06216 0.00000 24 7D+1 0.00000 0.25795 -0.18664 0.00000 0.08375 25 7D-1 0.01042 0.00000 0.00000 0.55959 0.00000 26 7D+2 -0.48813 0.00000 0.00000 0.14612 0.00000 27 7D-2 0.00000 0.03471 -0.60432 0.00000 -0.57333 28 2 C 1S -0.01155 0.00000 0.00000 0.00296 0.00000 29 2S -0.02110 0.00000 0.00000 0.01199 0.00000 30 2PX 0.00000 0.04072 -0.00136 0.00000 -0.11667 31 2PY -0.02015 0.00000 0.00000 -0.38499 0.00000 32 2PZ 0.22149 0.00000 0.00000 -0.48111 0.00000 33 3S 0.24034 0.00000 0.00000 -0.10229 0.00000 34 3PX 0.00000 0.06735 -0.05351 0.00000 0.16385 35 3PY 0.05828 0.00000 0.00000 0.73229 0.00000 36 3PZ -0.73226 0.00000 0.00000 0.66714 0.00000 37 4S -2.29606 0.00000 0.00000 -1.61830 0.00000 38 4PX 0.00000 0.19795 -0.00074 0.00000 -0.09237 39 4PY -1.97573 0.00000 0.00000 -1.06420 0.00000 40 4PZ -0.91132 0.00000 0.00000 -0.78528 0.00000 41 5S -8.85513 0.00000 0.00000 0.00794 0.00000 42 5PX 0.00000 -0.13476 0.08781 0.00000 0.05439 43 5PY -1.74592 0.00000 0.00000 -0.03807 0.00000 44 5PZ -0.70620 0.00000 0.00000 -0.22455 0.00000 45 6D 0 -0.33873 0.00000 0.00000 -0.21855 0.00000 46 6D+1 0.00000 0.21179 -0.11938 0.00000 0.14344 47 6D-1 -0.33190 0.00000 0.00000 0.18288 0.00000 48 6D+2 -0.23065 0.00000 0.00000 -0.20384 0.00000 49 6D-2 0.00000 0.54768 -0.25066 0.00000 0.01687 50 7D 0 1.31097 0.00000 0.00000 0.12995 0.00000 51 7D+1 0.00000 -0.25184 -0.04216 0.00000 -0.04320 52 7D-1 0.67813 0.00000 0.00000 0.05003 0.00000 53 7D+2 0.58274 0.00000 0.00000 0.16372 0.00000 54 7D-2 0.00000 -0.36598 0.33306 0.00000 0.14353 55 3 C 1S 0.00987 0.00000 0.00000 0.00254 0.00000 56 2S -0.00454 0.00000 0.00000 0.00795 0.00000 57 2PX 0.00000 0.00000 0.15520 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 59 2PZ -0.17425 0.00000 0.00000 0.28199 0.00000 60 3S 1.14344 0.00000 0.00000 -0.14725 0.00000 61 3PX 0.00000 0.00000 -0.34491 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 3PZ 1.19682 0.00000 0.00000 -0.54054 0.00000 64 4S 0.27684 0.00000 0.00000 1.95730 0.00000 65 4PX 0.00000 0.00000 0.01773 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 67 4PZ 2.26934 0.00000 0.00000 2.43679 0.00000 68 5S 11.91121 0.00000 0.00000 -0.35815 0.00000 69 5PX 0.00000 0.00000 -0.04670 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 71 5PZ 2.41501 0.00000 0.00000 0.26968 0.00000 72 6D 0 0.10968 0.00000 0.00000 0.01512 0.00000 73 6D+1 0.00000 0.00000 -0.49927 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 75 6D+2 -0.48445 0.00000 0.00000 -0.19661 0.00000 76 6D-2 0.00000 -0.52376 0.00000 0.00000 0.32255 77 7D 0 -0.03105 0.00000 0.00000 -0.13634 0.00000 78 7D+1 0.00000 0.00000 0.23534 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 80 7D+2 1.45763 0.00000 0.00000 -0.07314 0.00000 81 7D-2 0.00000 0.48286 0.00000 0.00000 -0.11392 82 4 C 1S -0.01155 0.00000 0.00000 0.00296 0.00000 83 2S -0.02110 0.00000 0.00000 0.01199 0.00000 84 2PX 0.00000 -0.04072 -0.00136 0.00000 0.11667 85 2PY 0.02015 0.00000 0.00000 0.38499 0.00000 86 2PZ 0.22149 0.00000 0.00000 -0.48111 0.00000 87 3S 0.24034 0.00000 0.00000 -0.10229 0.00000 88 3PX 0.00000 -0.06735 -0.05351 0.00000 -0.16385 89 3PY -0.05828 0.00000 0.00000 -0.73229 0.00000 90 3PZ -0.73226 0.00000 0.00000 0.66714 0.00000 91 4S -2.29606 0.00000 0.00000 -1.61830 0.00000 92 4PX 0.00000 -0.19795 -0.00074 0.00000 0.09237 93 4PY 1.97573 0.00000 0.00000 1.06420 0.00000 94 4PZ -0.91132 0.00000 0.00000 -0.78528 0.00000 95 5S -8.85513 0.00000 0.00000 0.00794 0.00000 96 5PX 0.00000 0.13476 0.08781 0.00000 -0.05439 97 5PY 1.74592 0.00000 0.00000 0.03807 0.00000 98 5PZ -0.70620 0.00000 0.00000 -0.22455 0.00000 99 6D 0 -0.33873 0.00000 0.00000 -0.21855 0.00000 100 6D+1 0.00000 -0.21179 -0.11938 0.00000 -0.14344 101 6D-1 0.33190 0.00000 0.00000 -0.18288 0.00000 102 6D+2 -0.23065 0.00000 0.00000 -0.20384 0.00000 103 6D-2 0.00000 0.54768 0.25066 0.00000 0.01687 104 7D 0 1.31097 0.00000 0.00000 0.12995 0.00000 105 7D+1 0.00000 0.25184 -0.04216 0.00000 0.04320 106 7D-1 -0.67813 0.00000 0.00000 -0.05003 0.00000 107 7D+2 0.58274 0.00000 0.00000 0.16372 0.00000 108 7D-2 0.00000 -0.36598 -0.33306 0.00000 0.14353 109 5 C 1S -0.00655 0.00000 0.00000 0.01203 0.00000 110 2S -0.00295 0.00000 0.00000 0.03270 0.00000 111 2PX 0.00000 0.08860 -0.03016 0.00000 0.05454 112 2PY -0.03273 0.00000 0.00000 0.16576 0.00000 113 2PZ -0.10707 0.00000 0.00000 0.47324 0.00000 114 3S -0.61940 0.00000 0.00000 -0.40054 0.00000 115 3PX 0.00000 -0.19624 0.03733 0.00000 -0.14789 116 3PY 0.06972 0.00000 0.00000 -0.18150 0.00000 117 3PZ 0.75356 0.00000 0.00000 -0.74502 0.00000 118 4S 3.84762 0.00000 0.00000 0.29228 0.00000 119 4PX 0.00000 0.08473 -0.21306 0.00000 0.10081 120 4PY -0.88455 0.00000 0.00000 0.27839 0.00000 121 4PZ -1.21307 0.00000 0.00000 -0.01422 0.00000 122 5S 2.99294 0.00000 0.00000 0.10466 0.00000 123 5PX 0.00000 -0.04541 -0.06018 0.00000 0.03994 124 5PY -0.38020 0.00000 0.00000 0.14029 0.00000 125 5PZ -0.47651 0.00000 0.00000 -0.11004 0.00000 126 6D 0 -0.36319 0.00000 0.00000 -0.17140 0.00000 127 6D+1 0.00000 0.41691 0.06269 0.00000 -0.11417 128 6D-1 -0.02400 0.00000 0.00000 0.21538 0.00000 129 6D+2 0.14397 0.00000 0.00000 -0.11322 0.00000 130 6D-2 0.00000 0.11422 -0.66043 0.00000 0.76583 131 7D 0 0.75789 0.00000 0.00000 0.06216 0.00000 132 7D+1 0.00000 -0.25795 -0.18664 0.00000 -0.08375 133 7D-1 -0.01042 0.00000 0.00000 -0.55959 0.00000 134 7D+2 -0.48813 0.00000 0.00000 0.14612 0.00000 135 7D-2 0.00000 0.03471 0.60432 0.00000 -0.57333 136 6 N 1S -0.00947 0.00000 0.00000 0.00708 0.00000 137 2S -0.02197 0.00000 0.00000 0.02106 0.00000 138 2PX 0.00000 0.00000 -0.24743 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.00000 140 2PZ 0.09629 0.00000 0.00000 -0.09158 0.00000 141 3S 0.42273 0.00000 0.00000 -0.46579 0.00000 142 3PX 0.00000 0.00000 0.34315 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.00000 144 3PZ -0.15340 0.00000 0.00000 0.10108 0.00000 145 4S -3.33183 0.00000 0.00000 0.88755 0.00000 146 4PX 0.00000 0.00000 0.46598 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 148 4PZ 1.18892 0.00000 0.00000 -0.71486 0.00000 149 5S -0.64641 0.00000 0.00000 0.65371 0.00000 150 5PX 0.00000 0.00000 0.05085 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 152 5PZ -0.11399 0.00000 0.00000 0.05085 0.00000 153 6D 0 -0.02185 0.00000 0.00000 0.02808 0.00000 154 6D+1 0.00000 0.00000 -0.05394 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 0.06682 0.00000 0.00000 -0.00625 0.00000 157 6D-2 0.00000 0.01875 0.00000 0.00000 -0.03804 158 7D 0 -0.00142 0.00000 0.00000 -0.02053 0.00000 159 7D+1 0.00000 0.00000 -0.10054 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 0.47595 0.00000 0.00000 -0.33582 0.00000 162 7D-2 0.00000 0.10934 0.00000 0.00000 0.16895 163 7 H 1S 0.01621 0.00000 0.00000 0.21129 0.00000 164 2S -0.70448 0.00000 0.00000 0.31103 0.00000 165 3S 0.42967 0.00000 0.00000 -0.24399 0.00000 166 4PX 0.00000 -0.00305 -0.05245 0.00000 0.14519 167 4PY 0.26447 0.00000 0.00000 -0.15455 0.00000 168 4PZ 0.07436 0.00000 0.00000 0.07793 0.00000 169 8 H 1S 0.12844 0.00000 0.00000 0.13792 0.00000 170 2S -0.70968 0.00000 0.00000 0.10152 0.00000 171 3S -0.39393 0.00000 0.00000 -0.58787 0.00000 172 4PX 0.00000 0.12870 0.08020 0.00000 -0.06017 173 4PY 0.32967 0.00000 0.00000 -0.06121 0.00000 174 4PZ 0.34876 0.00000 0.00000 0.04781 0.00000 175 9 H 1S -0.35965 0.00000 0.00000 -0.16585 0.00000 176 2S 2.13980 0.00000 0.00000 0.51469 0.00000 177 3S 0.01545 0.00000 0.00000 0.81830 0.00000 178 4PX 0.00000 0.00000 0.05210 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PZ 0.51790 0.00000 0.00000 -0.10022 0.00000 181 10 H 1S 0.12844 0.00000 0.00000 0.13792 0.00000 182 2S -0.70968 0.00000 0.00000 0.10152 0.00000 183 3S -0.39393 0.00000 0.00000 -0.58787 0.00000 184 4PX 0.00000 -0.12870 0.08020 0.00000 0.06017 185 4PY -0.32967 0.00000 0.00000 0.06121 0.00000 186 4PZ 0.34876 0.00000 0.00000 0.04781 0.00000 187 11 H 1S 0.01621 0.00000 0.00000 0.21129 0.00000 188 2S -0.70448 0.00000 0.00000 0.31103 0.00000 189 3S 0.42967 0.00000 0.00000 -0.24399 0.00000 190 4PX 0.00000 0.00305 -0.05245 0.00000 -0.14519 191 4PY -0.26447 0.00000 0.00000 0.15455 0.00000 192 4PZ 0.07436 0.00000 0.00000 0.07793 0.00000 156 157 158 159 160 (B2)--V (A1)--V (A1)--V (A2)--V (B2)--V Eigenvalues -- 3.41419 3.51010 3.53936 3.56076 3.56107 1 1 C 1S -0.01106 -0.00071 -0.01091 0.00000 0.00308 2 2S -0.02939 0.00112 -0.01950 0.00000 -0.00475 3 2PX 0.00000 0.00000 0.00000 -0.07654 0.00000 4 2PY -0.53381 -0.18747 -0.08311 0.00000 0.13216 5 2PZ -0.27990 -0.18442 0.09975 0.00000 -0.13142 6 3S 0.55593 -0.24676 0.18798 0.00000 0.60820 7 3PX 0.00000 0.00000 0.00000 0.11073 0.00000 8 3PY 1.07687 0.35110 0.21332 0.00000 0.07078 9 3PZ 0.53273 0.57026 -0.11294 0.00000 0.19320 10 4S -2.52979 1.29460 0.37873 0.00000 -4.07894 11 4PX 0.00000 0.00000 0.00000 -0.54443 0.00000 12 4PY -2.03601 1.63206 -0.46026 0.00000 -0.51541 13 4PZ 2.78218 0.08392 -1.52303 0.00000 -0.59518 14 5S -1.99379 0.60424 2.24886 0.00000 6.23136 15 5PX 0.00000 0.00000 0.00000 0.18644 0.00000 16 5PY -0.93913 0.66183 0.05440 0.00000 -0.76348 17 5PZ 0.24552 0.07612 -0.37424 0.00000 -2.21411 18 6D 0 -0.01398 0.14454 -0.22663 0.00000 -0.08209 19 6D+1 0.00000 0.00000 0.00000 -0.45879 0.00000 20 6D-1 -0.16632 -0.14350 0.28253 0.00000 0.43244 21 6D+2 -0.09704 0.08785 -0.68228 0.00000 -0.55382 22 6D-2 0.00000 0.00000 0.00000 0.24677 0.00000 23 7D 0 -0.05986 -0.34683 0.93853 0.00000 -0.01125 24 7D+1 0.00000 0.00000 0.00000 0.48723 0.00000 25 7D-1 0.92367 -0.90588 -0.80506 0.00000 -0.91352 26 7D+2 0.23864 -0.48037 0.83668 0.00000 1.16117 27 7D-2 0.00000 0.00000 0.00000 -0.30156 0.00000 28 2 C 1S -0.01701 0.00325 0.00442 0.00000 -0.01026 29 2S -0.03776 0.00815 0.02019 0.00000 -0.00620 30 2PX 0.00000 0.00000 0.00000 0.09378 0.00000 31 2PY 0.45355 -0.45302 -0.03241 0.00000 0.09470 32 2PZ 0.20702 0.14276 0.11637 0.00000 0.00566 33 3S -0.08355 0.06548 -0.49295 0.00000 -0.49942 34 3PX 0.00000 0.00000 0.00000 -0.07209 0.00000 35 3PY -0.84508 0.83683 -0.09622 0.00000 -0.68970 36 3PZ -0.50086 0.02626 -0.51483 0.00000 0.04085 37 4S 5.34196 0.60114 -1.16313 0.00000 1.77684 38 4PX 0.00000 0.00000 0.00000 0.68475 0.00000 39 4PY 3.08463 -0.70514 -0.63662 0.00000 -0.48386 40 4PZ 2.06931 -0.08096 -0.64630 0.00000 0.40331 41 5S -0.55668 -2.50742 -5.56474 0.00000 -3.11186 42 5PX 0.00000 0.00000 0.00000 -0.21445 0.00000 43 5PY 0.41141 -1.01796 -0.86094 0.00000 0.74938 44 5PZ 0.49877 0.23724 -0.68633 0.00000 -3.38119 45 6D 0 0.00998 -0.00244 -0.05253 0.00000 0.01048 46 6D+1 0.00000 0.00000 0.00000 -0.32449 0.00000 47 6D-1 -0.16312 0.28920 -0.04754 0.00000 0.05467 48 6D+2 0.06648 -0.13529 0.01452 0.00000 0.16721 49 6D-2 0.00000 0.00000 0.00000 -0.48623 0.00000 50 7D 0 -0.00859 0.71351 0.05997 0.00000 0.10733 51 7D+1 0.00000 0.00000 0.00000 0.32828 0.00000 52 7D-1 0.80532 -1.82098 -0.39246 0.00000 -0.28983 53 7D+2 -0.78538 0.66919 -0.25953 0.00000 -0.86802 54 7D-2 0.00000 0.00000 0.00000 0.47869 0.00000 55 3 C 1S 0.00000 0.02238 0.02445 0.00000 0.00000 56 2S 0.00000 0.05804 0.04757 0.00000 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY -0.60473 0.00000 0.00000 0.00000 -0.03591 59 2PZ 0.00000 -0.81471 -0.20493 0.00000 0.00000 60 3S 0.00000 -0.74343 -0.56797 0.00000 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.87644 0.00000 0.00000 0.00000 0.38619 63 3PZ 0.00000 1.47161 0.45356 0.00000 0.00000 64 4S 0.00000 -0.90721 -0.07323 0.00000 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.52548 0.00000 0.00000 0.00000 -0.97739 67 4PZ 0.00000 -0.57343 0.69485 0.00000 0.00000 68 5S 0.00000 5.02548 6.75747 0.00000 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY -0.95327 0.00000 0.00000 0.00000 3.23426 71 5PZ 0.00000 0.70947 1.62532 0.00000 0.00000 72 6D 0 0.00000 0.32393 -0.05407 0.00000 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.14958 0.00000 0.00000 0.00000 0.41591 75 6D+2 0.00000 0.22812 0.16683 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 -0.42463 0.00000 77 7D 0 0.00000 0.56003 -0.18634 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.38808 0.00000 0.00000 0.00000 -0.95036 80 7D+2 0.00000 0.46930 0.08372 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.37906 0.00000 82 4 C 1S 0.01701 0.00325 0.00442 0.00000 0.01026 83 2S 0.03776 0.00815 0.02019 0.00000 0.00620 84 2PX 0.00000 0.00000 0.00000 -0.09378 0.00000 85 2PY 0.45355 0.45302 0.03241 0.00000 0.09470 86 2PZ -0.20702 0.14276 0.11637 0.00000 -0.00566 87 3S 0.08355 0.06548 -0.49295 0.00000 0.49942 88 3PX 0.00000 0.00000 0.00000 0.07209 0.00000 89 3PY -0.84508 -0.83683 0.09622 0.00000 -0.68970 90 3PZ 0.50086 0.02626 -0.51483 0.00000 -0.04085 91 4S -5.34196 0.60114 -1.16313 0.00000 -1.77684 92 4PX 0.00000 0.00000 0.00000 -0.68475 0.00000 93 4PY 3.08463 0.70514 0.63662 0.00000 -0.48386 94 4PZ -2.06931 -0.08096 -0.64630 0.00000 -0.40331 95 5S 0.55668 -2.50742 -5.56474 0.00000 3.11186 96 5PX 0.00000 0.00000 0.00000 0.21445 0.00000 97 5PY 0.41141 1.01796 0.86094 0.00000 0.74938 98 5PZ -0.49877 0.23724 -0.68633 0.00000 3.38119 99 6D 0 -0.00998 -0.00244 -0.05253 0.00000 -0.01048 100 6D+1 0.00000 0.00000 0.00000 0.32449 0.00000 101 6D-1 -0.16312 -0.28920 0.04754 0.00000 0.05467 102 6D+2 -0.06648 -0.13529 0.01452 0.00000 -0.16721 103 6D-2 0.00000 0.00000 0.00000 -0.48623 0.00000 104 7D 0 0.00859 0.71351 0.05997 0.00000 -0.10733 105 7D+1 0.00000 0.00000 0.00000 -0.32828 0.00000 106 7D-1 0.80532 1.82098 0.39246 0.00000 -0.28983 107 7D+2 0.78538 0.66919 -0.25953 0.00000 0.86802 108 7D-2 0.00000 0.00000 0.00000 0.47869 0.00000 109 5 C 1S 0.01106 -0.00071 -0.01091 0.00000 -0.00308 110 2S 0.02939 0.00112 -0.01950 0.00000 0.00475 111 2PX 0.00000 0.00000 0.00000 0.07654 0.00000 112 2PY -0.53381 0.18747 0.08311 0.00000 0.13216 113 2PZ 0.27990 -0.18442 0.09975 0.00000 0.13142 114 3S -0.55593 -0.24676 0.18798 0.00000 -0.60820 115 3PX 0.00000 0.00000 0.00000 -0.11073 0.00000 116 3PY 1.07687 -0.35110 -0.21332 0.00000 0.07078 117 3PZ -0.53273 0.57026 -0.11294 0.00000 -0.19320 118 4S 2.52979 1.29460 0.37873 0.00000 4.07894 119 4PX 0.00000 0.00000 0.00000 0.54443 0.00000 120 4PY -2.03601 -1.63206 0.46026 0.00000 -0.51541 121 4PZ -2.78218 0.08392 -1.52303 0.00000 0.59518 122 5S 1.99379 0.60424 2.24886 0.00000 -6.23136 123 5PX 0.00000 0.00000 0.00000 -0.18644 0.00000 124 5PY -0.93913 -0.66183 -0.05440 0.00000 -0.76348 125 5PZ -0.24552 0.07612 -0.37424 0.00000 2.21411 126 6D 0 0.01398 0.14454 -0.22663 0.00000 0.08209 127 6D+1 0.00000 0.00000 0.00000 0.45879 0.00000 128 6D-1 -0.16632 0.14350 -0.28253 0.00000 0.43244 129 6D+2 0.09704 0.08785 -0.68228 0.00000 0.55382 130 6D-2 0.00000 0.00000 0.00000 0.24677 0.00000 131 7D 0 0.05986 -0.34683 0.93853 0.00000 0.01125 132 7D+1 0.00000 0.00000 0.00000 -0.48723 0.00000 133 7D-1 0.92367 0.90588 0.80506 0.00000 -0.91352 134 7D+2 -0.23864 -0.48037 0.83668 0.00000 -1.16117 135 7D-2 0.00000 0.00000 0.00000 -0.30156 0.00000 136 6 N 1S 0.00000 -0.00550 0.00823 0.00000 0.00000 137 2S 0.00000 -0.00820 -0.01022 0.00000 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.16102 0.00000 0.00000 0.00000 0.41854 140 2PZ 0.00000 0.19120 0.37675 0.00000 0.00000 141 3S 0.00000 0.23475 0.58245 0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.22231 0.00000 0.00000 0.00000 -0.83057 144 3PZ 0.00000 -0.02864 -0.66857 0.00000 0.00000 145 4S 0.00000 -2.08593 2.06337 0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 1.89511 0.00000 0.00000 0.00000 -0.77806 148 4PZ 0.00000 1.22196 -0.14018 0.00000 0.00000 149 5S 0.00000 -2.45475 0.06438 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00334 0.00000 0.00000 0.00000 -1.45641 152 5PZ 0.00000 0.10827 -0.00896 0.00000 0.00000 153 6D 0 0.00000 0.04370 -0.01605 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00806 0.00000 0.00000 0.00000 0.19665 156 6D+2 0.00000 0.02749 -0.15283 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00764 0.00000 158 7D 0 0.00000 -0.27854 0.10748 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.38662 0.00000 0.00000 0.00000 -0.50270 161 7D+2 0.00000 -0.13002 0.53023 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.02205 0.00000 163 7 H 1S -0.40751 -0.12795 -0.14281 0.00000 0.26180 164 2S 0.25613 -0.61082 0.27553 0.00000 -1.07943 165 3S 1.07246 0.76558 -0.02528 0.00000 0.43501 166 4PX 0.00000 0.00000 0.00000 0.08869 0.00000 167 4PY 0.04415 0.27229 0.21733 0.00000 0.06376 168 4PZ 0.08736 0.06256 -0.22264 0.00000 0.24843 169 8 H 1S 0.33179 0.44806 0.03126 0.00000 0.04820 170 2S 0.75095 0.99826 -0.25955 0.00000 1.02825 171 3S -1.47569 -0.56470 -0.15157 0.00000 0.01644 172 4PX 0.00000 0.00000 0.00000 -0.06618 0.00000 173 4PY -0.43156 -0.25179 -0.00724 0.00000 -0.16530 174 4PZ 0.23120 0.09760 -0.07843 0.00000 0.27509 175 9 H 1S 0.00000 0.15851 0.05118 0.00000 0.00000 176 2S 0.00000 0.01777 0.73874 0.00000 0.00000 177 3S 0.00000 -0.26674 -0.00717 0.00000 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY -0.04544 0.00000 0.00000 0.00000 -0.18701 180 4PZ 0.00000 0.15684 0.30298 0.00000 0.00000 181 10 H 1S -0.33179 0.44806 0.03126 0.00000 -0.04820 182 2S -0.75095 0.99826 -0.25955 0.00000 -1.02825 183 3S 1.47569 -0.56470 -0.15157 0.00000 -0.01644 184 4PX 0.00000 0.00000 0.00000 0.06618 0.00000 185 4PY -0.43156 0.25179 0.00724 0.00000 -0.16530 186 4PZ -0.23120 0.09760 -0.07843 0.00000 -0.27509 187 11 H 1S 0.40751 -0.12795 -0.14281 0.00000 -0.26180 188 2S -0.25613 -0.61082 0.27553 0.00000 1.07943 189 3S -1.07246 0.76558 -0.02528 0.00000 -0.43501 190 4PX 0.00000 0.00000 0.00000 -0.08869 0.00000 191 4PY 0.04415 -0.27229 -0.21733 0.00000 0.06376 192 4PZ -0.08736 0.06256 -0.22264 0.00000 -0.24843 161 162 163 164 165 (A1)--V (B1)--V (B1)--V (A2)--V (B2)--V Eigenvalues -- 3.56335 3.57735 3.58601 3.66294 3.67478 1 1 C 1S 0.00407 0.00000 0.00000 0.00000 0.01382 2 2S 0.01725 0.00000 0.00000 0.00000 0.03416 3 2PX 0.00000 -0.01821 -0.06954 0.01235 0.00000 4 2PY -0.43517 0.00000 0.00000 0.00000 -0.48125 5 2PZ -0.38685 0.00000 0.00000 0.00000 0.13066 6 3S -0.20023 0.00000 0.00000 0.00000 -0.02426 7 3PX 0.00000 -0.06111 0.12648 0.05599 0.00000 8 3PY 1.01696 0.00000 0.00000 0.00000 1.54550 9 3PZ 1.20424 0.00000 0.00000 0.00000 -0.07709 10 4S 0.17382 0.00000 0.00000 0.00000 -2.73445 11 4PX 0.00000 -0.50619 0.22140 0.28975 0.00000 12 4PY 1.22170 0.00000 0.00000 0.00000 -0.77091 13 4PZ 1.48467 0.00000 0.00000 0.00000 2.89786 14 5S 3.65404 0.00000 0.00000 0.00000 1.10074 15 5PX 0.00000 0.14465 -0.16520 -0.08635 0.00000 16 5PY 0.04672 0.00000 0.00000 0.00000 -2.24502 17 5PZ -0.58067 0.00000 0.00000 0.00000 -1.34949 18 6D 0 0.18608 0.00000 0.00000 0.00000 -0.01505 19 6D+1 0.00000 -0.55313 -0.10968 0.28971 0.00000 20 6D-1 -0.08694 0.00000 0.00000 0.00000 -0.09882 21 6D+2 -0.08553 0.00000 0.00000 0.00000 -0.00232 22 6D-2 0.00000 -0.02212 -0.10177 0.01566 0.00000 23 7D 0 -0.60920 0.00000 0.00000 0.00000 -0.05600 24 7D+1 0.00000 0.60842 0.03332 -0.40881 0.00000 25 7D-1 0.84347 0.00000 0.00000 0.00000 1.88285 26 7D+2 -0.18005 0.00000 0.00000 0.00000 0.56641 27 7D-2 0.00000 -0.00376 0.27102 -0.12024 0.00000 28 2 C 1S -0.01417 0.00000 0.00000 0.00000 0.02706 29 2S -0.03552 0.00000 0.00000 0.00000 0.06596 30 2PX 0.00000 0.01629 -0.02118 -0.01189 0.00000 31 2PY 0.40690 0.00000 0.00000 0.00000 -0.02840 32 2PZ -0.47423 0.00000 0.00000 0.00000 -0.37264 33 3S 0.30542 0.00000 0.00000 0.00000 -0.86376 34 3PX 0.00000 0.06898 -0.00114 0.07345 0.00000 35 3PY -1.01594 0.00000 0.00000 0.00000 -0.28372 36 3PZ 1.20230 0.00000 0.00000 0.00000 1.04475 37 4S -0.52078 0.00000 0.00000 0.00000 -0.36956 38 4PX 0.00000 0.67654 -0.74562 0.02989 0.00000 39 4PY -1.61265 0.00000 0.00000 0.00000 -0.93545 40 4PZ 1.76238 0.00000 0.00000 0.00000 2.81617 41 5S -3.02528 0.00000 0.00000 0.00000 5.36562 42 5PX 0.00000 -0.21862 0.35226 0.01013 0.00000 43 5PY 0.03299 0.00000 0.00000 0.00000 2.71974 44 5PZ -1.11019 0.00000 0.00000 0.00000 -3.21781 45 6D 0 -0.25307 0.00000 0.00000 0.00000 -0.20374 46 6D+1 0.00000 -0.59213 -0.16377 0.53819 0.00000 47 6D-1 -0.14435 0.00000 0.00000 0.00000 -0.17514 48 6D+2 -0.11780 0.00000 0.00000 0.00000 0.11243 49 6D-2 0.00000 -0.15117 0.60189 -0.31292 0.00000 50 7D 0 0.60712 0.00000 0.00000 0.00000 0.72148 51 7D+1 0.00000 0.62274 0.05541 -0.72213 0.00000 52 7D-1 1.19762 0.00000 0.00000 0.00000 1.25354 53 7D+2 0.10083 0.00000 0.00000 0.00000 0.32783 54 7D-2 0.00000 0.24412 -0.79124 0.36776 0.00000 55 3 C 1S -0.03450 0.00000 0.00000 0.00000 0.00000 56 2S -0.08705 0.00000 0.00000 0.00000 0.00000 57 2PX 0.00000 0.00396 0.05719 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.00000 0.80529 59 2PZ 0.00017 0.00000 0.00000 0.00000 0.00000 60 3S 0.91515 0.00000 0.00000 0.00000 0.00000 61 3PX 0.00000 0.04005 0.06135 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 0.00000 -2.21564 63 3PZ 0.29270 0.00000 0.00000 0.00000 0.00000 64 4S 6.17544 0.00000 0.00000 0.00000 0.00000 65 4PX 0.00000 -0.38767 1.20509 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 0.00000 -3.53359 67 4PZ 1.80579 0.00000 0.00000 0.00000 0.00000 68 5S -0.51980 0.00000 0.00000 0.00000 0.00000 69 5PX 0.00000 0.16966 -0.48206 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 0.00000 4.98138 71 5PZ 0.25175 0.00000 0.00000 0.00000 0.00000 72 6D 0 0.28594 0.00000 0.00000 0.00000 0.00000 73 6D+1 0.00000 0.20757 -0.78176 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00000 0.36507 75 6D+2 0.01255 0.00000 0.00000 0.00000 0.00000 76 6D-2 0.00000 0.00000 0.00000 -0.71167 0.00000 77 7D 0 -0.59277 0.00000 0.00000 0.00000 0.00000 78 7D+1 0.00000 -0.43576 0.95586 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00000 -1.72109 80 7D+2 -0.63743 0.00000 0.00000 0.00000 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.92042 0.00000 82 4 C 1S -0.01417 0.00000 0.00000 0.00000 -0.02706 83 2S -0.03552 0.00000 0.00000 0.00000 -0.06596 84 2PX 0.00000 0.01629 -0.02118 0.01189 0.00000 85 2PY -0.40690 0.00000 0.00000 0.00000 -0.02840 86 2PZ -0.47423 0.00000 0.00000 0.00000 0.37264 87 3S 0.30542 0.00000 0.00000 0.00000 0.86376 88 3PX 0.00000 0.06898 -0.00114 -0.07345 0.00000 89 3PY 1.01594 0.00000 0.00000 0.00000 -0.28372 90 3PZ 1.20230 0.00000 0.00000 0.00000 -1.04475 91 4S -0.52078 0.00000 0.00000 0.00000 0.36956 92 4PX 0.00000 0.67654 -0.74562 -0.02989 0.00000 93 4PY 1.61265 0.00000 0.00000 0.00000 -0.93545 94 4PZ 1.76238 0.00000 0.00000 0.00000 -2.81617 95 5S -3.02528 0.00000 0.00000 0.00000 -5.36562 96 5PX 0.00000 -0.21862 0.35226 -0.01013 0.00000 97 5PY -0.03299 0.00000 0.00000 0.00000 2.71974 98 5PZ -1.11019 0.00000 0.00000 0.00000 3.21781 99 6D 0 -0.25307 0.00000 0.00000 0.00000 0.20374 100 6D+1 0.00000 -0.59213 -0.16377 -0.53819 0.00000 101 6D-1 0.14435 0.00000 0.00000 0.00000 -0.17514 102 6D+2 -0.11780 0.00000 0.00000 0.00000 -0.11243 103 6D-2 0.00000 0.15117 -0.60189 -0.31292 0.00000 104 7D 0 0.60712 0.00000 0.00000 0.00000 -0.72148 105 7D+1 0.00000 0.62274 0.05541 0.72213 0.00000 106 7D-1 -1.19762 0.00000 0.00000 0.00000 1.25354 107 7D+2 0.10083 0.00000 0.00000 0.00000 -0.32783 108 7D-2 0.00000 -0.24412 0.79124 0.36776 0.00000 109 5 C 1S 0.00407 0.00000 0.00000 0.00000 -0.01382 110 2S 0.01725 0.00000 0.00000 0.00000 -0.03416 111 2PX 0.00000 -0.01821 -0.06954 -0.01235 0.00000 112 2PY 0.43517 0.00000 0.00000 0.00000 -0.48125 113 2PZ -0.38685 0.00000 0.00000 0.00000 -0.13066 114 3S -0.20023 0.00000 0.00000 0.00000 0.02426 115 3PX 0.00000 -0.06111 0.12648 -0.05599 0.00000 116 3PY -1.01696 0.00000 0.00000 0.00000 1.54550 117 3PZ 1.20424 0.00000 0.00000 0.00000 0.07709 118 4S 0.17382 0.00000 0.00000 0.00000 2.73445 119 4PX 0.00000 -0.50619 0.22140 -0.28975 0.00000 120 4PY -1.22170 0.00000 0.00000 0.00000 -0.77091 121 4PZ 1.48467 0.00000 0.00000 0.00000 -2.89786 122 5S 3.65404 0.00000 0.00000 0.00000 -1.10074 123 5PX 0.00000 0.14465 -0.16520 0.08635 0.00000 124 5PY -0.04672 0.00000 0.00000 0.00000 -2.24502 125 5PZ -0.58067 0.00000 0.00000 0.00000 1.34949 126 6D 0 0.18608 0.00000 0.00000 0.00000 0.01505 127 6D+1 0.00000 -0.55313 -0.10968 -0.28971 0.00000 128 6D-1 0.08694 0.00000 0.00000 0.00000 -0.09882 129 6D+2 -0.08553 0.00000 0.00000 0.00000 0.00232 130 6D-2 0.00000 0.02212 0.10177 0.01566 0.00000 131 7D 0 -0.60920 0.00000 0.00000 0.00000 0.05600 132 7D+1 0.00000 0.60842 0.03332 0.40881 0.00000 133 7D-1 -0.84347 0.00000 0.00000 0.00000 1.88285 134 7D+2 -0.18005 0.00000 0.00000 0.00000 -0.56641 135 7D-2 0.00000 0.00376 -0.27102 -0.12024 0.00000 136 6 N 1S 0.01327 0.00000 0.00000 0.00000 0.00000 137 2S 0.02717 0.00000 0.00000 0.00000 0.00000 138 2PX 0.00000 0.16979 0.02362 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 0.22894 140 2PZ 0.21344 0.00000 0.00000 0.00000 0.00000 141 3S 0.01589 0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 -0.25819 -0.05025 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 0.22443 144 3PZ 0.03847 0.00000 0.00000 0.00000 0.00000 145 4S -4.84391 0.00000 0.00000 0.00000 0.00000 146 4PX 0.00000 0.14482 -0.37341 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.00000 2.52727 148 4PZ 1.73207 0.00000 0.00000 0.00000 0.00000 149 5S -2.02156 0.00000 0.00000 0.00000 0.00000 150 5PX 0.00000 -0.03887 0.15204 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 -1.00747 152 5PZ 0.05680 0.00000 0.00000 0.00000 0.00000 153 6D 0 -0.05951 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00538 0.02992 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 -0.01467 156 6D+2 -0.03743 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.04547 0.00000 158 7D 0 0.11762 0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 -0.10701 0.10180 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 -0.33673 161 7D+2 0.43653 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.09476 0.00000 163 7 H 1S -0.01630 0.00000 0.00000 0.00000 -0.40480 164 2S 0.62460 0.00000 0.00000 0.00000 -1.61091 165 3S -0.32683 0.00000 0.00000 0.00000 1.55611 166 4PX 0.00000 -0.02086 0.04711 0.02109 0.00000 167 4PY -0.11673 0.00000 0.00000 0.00000 0.65455 168 4PZ -0.07010 0.00000 0.00000 0.00000 0.34883 169 8 H 1S 0.00930 0.00000 0.00000 0.00000 0.06942 170 2S -1.07528 0.00000 0.00000 0.00000 -0.16976 171 3S 0.29897 0.00000 0.00000 0.00000 -0.11156 172 4PX 0.00000 0.05177 -0.12128 0.02675 0.00000 173 4PY 0.34728 0.00000 0.00000 0.00000 0.10900 174 4PZ -0.11680 0.00000 0.00000 0.00000 -0.24269 175 9 H 1S 0.18977 0.00000 0.00000 0.00000 0.00000 176 2S -0.23669 0.00000 0.00000 0.00000 0.00000 177 3S 0.39671 0.00000 0.00000 0.00000 0.00000 178 4PX 0.00000 -0.11571 0.11725 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 -0.16483 180 4PZ -0.31475 0.00000 0.00000 0.00000 0.00000 181 10 H 1S 0.00930 0.00000 0.00000 0.00000 -0.06942 182 2S -1.07528 0.00000 0.00000 0.00000 0.16976 183 3S 0.29897 0.00000 0.00000 0.00000 0.11156 184 4PX 0.00000 0.05177 -0.12128 -0.02675 0.00000 185 4PY -0.34728 0.00000 0.00000 0.00000 0.10900 186 4PZ -0.11680 0.00000 0.00000 0.00000 0.24269 187 11 H 1S -0.01630 0.00000 0.00000 0.00000 0.40480 188 2S 0.62460 0.00000 0.00000 0.00000 1.61091 189 3S -0.32683 0.00000 0.00000 0.00000 -1.55611 190 4PX 0.00000 -0.02086 0.04711 -0.02109 0.00000 191 4PY 0.11673 0.00000 0.00000 0.00000 0.65455 192 4PZ -0.07010 0.00000 0.00000 0.00000 -0.34883 166 167 168 169 170 (A1)--V (B2)--V (A1)--V (B2)--V (A1)--V Eigenvalues -- 3.68610 3.74325 3.78134 3.79049 3.84436 1 1 C 1S -0.00934 0.00261 0.00271 0.00472 -0.00691 2 2S -0.02351 0.00204 -0.00019 0.01830 -0.01877 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.11343 0.23621 -0.53052 0.14298 0.11304 5 2PZ -0.60893 0.04384 0.17772 -0.51582 -0.01944 6 3S 0.18688 -0.17241 0.05083 -0.62504 0.17338 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 0.47775 -0.80147 1.33663 -0.67383 -0.31125 9 3PZ 1.52751 -0.40617 -0.82395 1.90045 -0.17379 10 4S -0.25585 1.67028 3.47282 -2.22151 3.64900 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.34478 -0.06963 0.47064 1.69706 0.77731 13 4PZ 0.76875 -0.97649 -1.38666 2.04257 -1.27227 14 5S 3.00513 0.84142 -2.39726 4.94580 2.92197 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.42609 -0.64190 0.33064 0.90170 0.15925 17 5PZ -0.77400 -0.39772 0.75282 -0.34069 -0.71189 18 6D 0 0.09220 -0.14186 -0.16552 0.38800 -0.16466 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.11357 0.15103 -0.20509 0.10842 -0.06371 21 6D+2 -0.11242 0.26729 0.03383 0.13254 0.01872 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.03798 0.42147 0.27471 -1.64617 0.34702 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.39123 0.32694 0.11614 -1.36943 0.04252 26 7D+2 -0.01102 -0.32414 0.13998 -1.28693 -0.16715 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S -0.02401 -0.00344 -0.00491 -0.00331 -0.02809 29 2S -0.05299 0.00578 -0.01282 -0.01977 -0.04643 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY -0.35766 0.44248 0.23774 0.28227 0.33546 32 2PZ 0.16241 0.26571 0.33701 -0.38885 0.12933 33 3S 0.38496 -0.19329 0.36021 0.40065 0.45799 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY 1.03740 -1.59800 -0.36314 -0.73231 -1.17517 36 3PZ -0.46702 -0.74908 -1.14706 1.64200 -0.44020 37 4S 4.27135 -4.36437 -3.26924 0.73911 -5.82408 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 0.78224 -0.60170 -0.63678 -1.77456 -2.16165 40 4PZ -0.32612 0.79933 -2.44956 3.20746 -0.92363 41 5S -8.24987 4.98370 2.81014 0.11330 -2.94922 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY -1.77549 1.46112 -0.27345 0.31821 -0.16210 44 5PZ -0.29343 -2.15981 1.05605 -1.44718 -1.00499 45 6D 0 -0.02214 0.23636 0.31240 -0.25368 0.12827 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.21561 -0.23489 0.12911 -0.29268 0.28287 48 6D+2 -0.06165 -0.24183 0.11191 -0.06116 -0.67865 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.73267 -0.73806 -0.12787 1.42254 -0.56535 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 -0.75815 1.86333 -1.15123 0.00355 0.38938 53 7D+2 -0.00000 -0.17883 0.15930 0.88062 0.38461 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.01198 0.00000 -0.01710 0.00000 0.00008 56 2S 0.02338 0.00000 -0.01618 0.00000 -0.01387 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.45286 0.00000 -0.02917 0.00000 59 2PZ 0.71347 0.00000 0.23112 0.00000 0.08251 60 3S -0.09793 0.00000 -0.52301 0.00000 0.01476 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 -1.88033 0.00000 -0.60508 0.00000 63 3PZ -1.96907 0.00000 -1.26604 0.00000 0.06984 64 4S -5.28630 0.00000 1.25255 0.00000 6.92216 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 -3.40938 0.00000 -2.81531 0.00000 67 4PZ -0.36469 0.00000 1.89426 0.00000 2.82009 68 5S 10.64179 0.00000 -0.48806 0.00000 0.38952 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 4.24814 0.00000 1.63070 0.00000 71 5PZ 2.04633 0.00000 -0.44144 0.00000 0.61692 72 6D 0 -0.32071 0.00000 0.27985 0.00000 -0.14273 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.37685 0.00000 0.02834 0.00000 75 6D+2 -0.21947 0.00000 -0.21592 0.00000 0.38096 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 1.87630 0.00000 2.24531 0.00000 0.02619 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 -0.73979 0.00000 -0.95241 0.00000 80 7D+2 1.40909 0.00000 0.83425 0.00000 -0.85439 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S -0.02401 0.00344 -0.00491 0.00331 -0.02809 83 2S -0.05299 -0.00578 -0.01282 0.01977 -0.04643 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.35766 0.44248 -0.23774 0.28227 -0.33546 86 2PZ 0.16241 -0.26571 0.33701 0.38885 0.12933 87 3S 0.38496 0.19329 0.36021 -0.40065 0.45799 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -1.03740 -1.59800 0.36314 -0.73231 1.17517 90 3PZ -0.46702 0.74908 -1.14706 -1.64200 -0.44020 91 4S 4.27135 4.36437 -3.26924 -0.73911 -5.82408 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.78224 -0.60170 0.63678 -1.77456 2.16165 94 4PZ -0.32612 -0.79933 -2.44956 -3.20746 -0.92363 95 5S -8.24987 -4.98370 2.81014 -0.11330 -2.94922 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 1.77549 1.46112 0.27345 0.31821 0.16210 98 5PZ -0.29343 2.15981 1.05605 1.44718 -1.00499 99 6D 0 -0.02214 -0.23636 0.31240 0.25368 0.12827 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.21561 -0.23489 -0.12911 -0.29268 -0.28287 102 6D+2 -0.06165 0.24183 0.11191 0.06116 -0.67865 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.73267 0.73806 -0.12787 -1.42254 -0.56535 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.75815 1.86333 1.15123 0.00355 -0.38938 107 7D+2 -0.00000 0.17883 0.15930 -0.88062 0.38461 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S -0.00934 -0.00261 0.00271 -0.00472 -0.00691 110 2S -0.02351 -0.00204 -0.00019 -0.01830 -0.01877 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.11343 0.23621 0.53052 0.14298 -0.11304 113 2PZ -0.60893 -0.04384 0.17772 0.51582 -0.01944 114 3S 0.18688 0.17241 0.05083 0.62504 0.17338 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.47775 -0.80147 -1.33663 -0.67383 0.31125 117 3PZ 1.52751 0.40617 -0.82395 -1.90045 -0.17379 118 4S -0.25585 -1.67028 3.47282 2.22151 3.64900 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.34478 -0.06963 -0.47064 1.69706 -0.77731 121 4PZ 0.76875 0.97649 -1.38666 -2.04257 -1.27227 122 5S 3.00513 -0.84142 -2.39726 -4.94580 2.92197 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.42609 -0.64190 -0.33064 0.90170 -0.15925 125 5PZ -0.77400 0.39772 0.75282 0.34069 -0.71189 126 6D 0 0.09220 0.14186 -0.16552 -0.38800 -0.16466 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.11357 0.15103 0.20509 0.10842 0.06371 129 6D+2 -0.11242 -0.26729 0.03383 -0.13254 0.01872 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.03798 -0.42147 0.27471 1.64617 0.34702 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.39123 0.32694 -0.11614 -1.36943 -0.04252 134 7D+2 -0.01102 0.32414 0.13998 1.28693 -0.16715 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.02333 0.00000 -0.00069 0.00000 -0.00651 137 2S 0.03811 0.00000 0.00297 0.00000 -0.01268 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 -0.09947 0.00000 -0.06563 0.00000 140 2PZ 0.07155 0.00000 0.27124 0.00000 0.00585 141 3S -0.05979 0.00000 0.07266 0.00000 0.14277 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.07647 0.00000 0.04997 0.00000 144 3PZ 0.16019 0.00000 -0.30915 0.00000 -0.06664 145 4S -2.41138 0.00000 -1.37248 0.00000 -1.46326 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 -0.20045 0.00000 -0.46621 0.00000 148 4PZ 0.28328 0.00000 1.16079 0.00000 0.53917 149 5S -0.87306 0.00000 -0.81445 0.00000 -1.37888 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 -0.40724 0.00000 1.78004 0.00000 152 5PZ 0.25884 0.00000 -0.16338 0.00000 0.54931 153 6D 0 0.03612 0.00000 -0.01737 0.00000 0.02711 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.07065 0.00000 -0.01687 0.00000 156 6D+2 -0.05528 0.00000 -0.01043 0.00000 0.05659 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.52165 0.00000 -0.24052 0.00000 -0.02046 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.31395 0.00000 -0.27918 0.00000 161 7D+2 0.73182 0.00000 -0.09829 0.00000 0.02289 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.07523 0.02014 0.19082 0.46637 -0.02459 164 2S -0.19746 0.16589 0.59457 1.53420 -0.28407 165 3S 0.19165 0.01977 0.05358 -0.99587 0.31781 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.17218 0.06299 -0.25625 -0.40990 0.13417 168 4PZ -0.00525 -0.06605 -0.19972 -0.43661 0.09140 169 8 H 1S 0.16781 0.57711 0.09948 -0.14569 -0.17756 170 2S 0.05070 0.93898 0.07420 -0.49924 -0.83920 171 3S -0.24999 -0.37053 -0.42523 0.23841 -0.21871 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.05669 -0.52386 0.05395 0.12381 0.60850 174 4PZ 0.10037 0.19703 -0.05064 -0.17915 -0.36531 175 9 H 1S -0.49447 0.00000 -0.62580 0.00000 0.00881 176 2S -1.17722 0.00000 -1.60622 0.00000 -0.11776 177 3S 0.70890 0.00000 0.87121 0.00000 0.64414 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.10066 0.00000 -0.12518 0.00000 180 4PZ -0.49859 0.00000 -0.85481 0.00000 -0.01313 181 10 H 1S 0.16781 -0.57711 0.09948 0.14569 -0.17756 182 2S 0.05070 -0.93898 0.07420 0.49924 -0.83920 183 3S -0.24999 0.37053 -0.42523 -0.23841 -0.21871 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.05669 -0.52386 -0.05395 0.12381 -0.60850 186 4PZ 0.10037 -0.19703 -0.05064 0.17915 -0.36531 187 11 H 1S 0.07523 -0.02014 0.19082 -0.46637 -0.02459 188 2S -0.19746 -0.16589 0.59457 -1.53420 -0.28407 189 3S 0.19165 -0.01977 0.05358 0.99587 0.31781 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.17218 0.06299 0.25625 -0.40990 -0.13417 192 4PZ -0.00525 0.06605 -0.19972 0.43661 0.09140 171 172 173 174 175 (A1)--V (B2)--V (B1)--V (B2)--V (A1)--V Eigenvalues -- 3.88660 3.95478 3.95547 3.96923 3.99898 1 1 C 1S 0.01619 0.02499 0.00000 0.01369 -0.01494 2 2S 0.03269 0.04151 0.00000 0.01927 -0.02195 3 2PX 0.00000 0.00000 0.06730 0.00000 0.00000 4 2PY -0.52191 -0.38011 0.00000 -0.09515 -0.07222 5 2PZ 0.07757 -0.15129 0.00000 0.11456 -0.04572 6 3S -0.27536 -0.46105 0.00000 -0.01964 -0.01794 7 3PX 0.00000 0.00000 -0.11523 0.00000 0.00000 8 3PY 1.58312 1.25657 0.00000 0.28365 0.01872 9 3PZ -0.30028 0.55949 0.00000 -0.53842 0.18465 10 4S 3.03231 2.46225 0.00000 1.05347 0.83509 11 4PX 0.00000 0.00000 0.20909 0.00000 0.00000 12 4PY 0.91917 2.29204 0.00000 -0.01250 0.55267 13 4PZ -0.34930 -0.33707 0.00000 -0.66344 0.69436 14 5S -1.02897 1.05369 0.00000 -2.18153 1.95643 15 5PX 0.00000 0.00000 -0.46587 0.00000 0.00000 16 5PY -0.09142 0.36586 0.00000 0.10215 -0.06525 17 5PZ 0.48184 -0.36740 0.00000 0.39233 -0.51452 18 6D 0 -0.07335 -0.17696 0.00000 0.05619 0.12089 19 6D+1 0.00000 0.00000 -0.13864 0.00000 0.00000 20 6D-1 0.28979 0.36446 0.00000 0.50694 -0.62628 21 6D+2 0.32330 0.33404 0.00000 0.36978 -0.24144 22 6D-2 0.00000 0.00000 -0.20681 0.00000 0.00000 23 7D 0 0.17944 -0.29372 0.00000 -0.09342 -0.51446 24 7D+1 0.00000 0.00000 0.09180 0.00000 0.00000 25 7D-1 1.09056 -1.07031 0.00000 -0.47363 0.51583 26 7D+2 -0.13711 -0.58208 0.00000 -0.27224 -0.17032 27 7D-2 0.00000 0.00000 0.03876 0.00000 0.00000 28 2 C 1S 0.00373 -0.02640 0.00000 0.01298 -0.00083 29 2S 0.01433 -0.04361 0.00000 0.01451 -0.00760 30 2PX 0.00000 0.00000 -0.02835 0.00000 0.00000 31 2PY -0.13169 -0.02306 0.00000 -0.12652 0.03112 32 2PZ -0.10974 -0.21348 0.00000 0.05304 0.16315 33 3S -0.07943 0.53273 0.00000 0.12818 0.47372 34 3PX 0.00000 0.00000 0.06903 0.00000 0.00000 35 3PY 0.20273 0.14469 0.00000 0.64088 0.09489 36 3PZ 0.18379 0.66073 0.00000 -0.22382 -0.29802 37 4S -4.08736 -1.93167 0.00000 1.39801 -2.45621 38 4PX 0.00000 0.00000 -0.05080 0.00000 0.00000 39 4PY -1.79287 -2.43553 0.00000 1.33519 -1.81882 40 4PZ -0.56838 -0.79022 0.00000 -1.22587 -0.04510 41 5S 1.51718 -1.27215 0.00000 -1.30386 -1.14928 42 5PX 0.00000 0.00000 0.33264 0.00000 0.00000 43 5PY 0.04090 -0.61663 0.00000 -0.56857 0.09723 44 5PZ 0.11840 -0.30882 0.00000 1.41853 -0.80724 45 6D 0 0.10440 0.02732 0.00000 0.20100 -0.02549 46 6D+1 0.00000 0.00000 -0.01366 0.00000 0.00000 47 6D-1 -0.19582 0.34446 0.00000 -0.33123 -0.25714 48 6D+2 -0.06506 -0.47573 0.00000 0.48293 0.00293 49 6D-2 0.00000 0.00000 -0.03311 0.00000 0.00000 50 7D 0 -0.13219 0.73658 0.00000 -0.79393 0.80175 51 7D+1 0.00000 0.00000 0.02084 0.00000 0.00000 52 7D-1 0.59927 -1.69790 0.00000 -0.13962 -0.24699 53 7D+2 0.29343 1.00498 0.00000 -0.63280 0.79307 54 7D-2 0.00000 0.00000 0.09914 0.00000 0.00000 55 3 C 1S 0.02344 0.00000 0.00000 0.00000 0.02013 56 2S 0.03801 0.00000 0.00000 0.00000 0.02955 57 2PX 0.00000 0.00000 0.03049 0.00000 0.00000 58 2PY 0.00000 -0.27747 0.00000 -0.14194 0.00000 59 2PZ -0.24863 0.00000 0.00000 0.00000 -0.13353 60 3S -0.29004 0.00000 0.00000 0.00000 -0.35103 61 3PX 0.00000 0.00000 -0.07274 0.00000 0.00000 62 3PY 0.00000 0.85147 0.00000 0.61674 0.00000 63 3PZ 0.87238 0.00000 0.00000 0.00000 0.35696 64 4S 5.20520 0.00000 0.00000 0.00000 5.18164 65 4PX 0.00000 0.00000 -0.03699 0.00000 0.00000 66 4PY 0.00000 -0.43291 0.00000 2.41349 0.00000 67 4PZ 2.23692 0.00000 0.00000 0.00000 3.22521 68 5S -0.70111 0.00000 0.00000 0.00000 -1.22539 69 5PX 0.00000 0.00000 -0.24279 0.00000 0.00000 70 5PY 0.00000 0.11124 0.00000 -2.10021 0.00000 71 5PZ 0.01531 0.00000 0.00000 0.00000 0.45388 72 6D 0 -0.70280 0.00000 0.00000 0.00000 -0.70654 73 6D+1 0.00000 0.00000 0.01099 0.00000 0.00000 74 6D-1 0.00000 0.09547 0.00000 -0.31912 0.00000 75 6D+2 0.21048 0.00000 0.00000 0.00000 0.13506 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.19002 0.00000 0.00000 0.00000 2.24761 78 7D+1 0.00000 0.00000 -0.08616 0.00000 0.00000 79 7D-1 0.00000 -0.57990 0.00000 1.44425 0.00000 80 7D+2 -0.46884 0.00000 0.00000 0.00000 0.51303 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00373 0.02640 0.00000 -0.01298 -0.00083 83 2S 0.01433 0.04361 0.00000 -0.01451 -0.00760 84 2PX 0.00000 0.00000 -0.02835 0.00000 0.00000 85 2PY 0.13169 -0.02306 0.00000 -0.12652 -0.03112 86 2PZ -0.10974 0.21348 0.00000 -0.05304 0.16315 87 3S -0.07943 -0.53273 0.00000 -0.12818 0.47372 88 3PX 0.00000 0.00000 0.06903 0.00000 0.00000 89 3PY -0.20273 0.14469 0.00000 0.64088 -0.09489 90 3PZ 0.18379 -0.66073 0.00000 0.22382 -0.29802 91 4S -4.08736 1.93167 0.00000 -1.39801 -2.45621 92 4PX 0.00000 0.00000 -0.05080 0.00000 0.00000 93 4PY 1.79287 -2.43553 0.00000 1.33519 1.81882 94 4PZ -0.56838 0.79022 0.00000 1.22587 -0.04510 95 5S 1.51718 1.27215 0.00000 1.30386 -1.14928 96 5PX 0.00000 0.00000 0.33264 0.00000 0.00000 97 5PY -0.04090 -0.61663 0.00000 -0.56857 -0.09723 98 5PZ 0.11840 0.30882 0.00000 -1.41853 -0.80724 99 6D 0 0.10440 -0.02732 0.00000 -0.20100 -0.02549 100 6D+1 0.00000 0.00000 -0.01366 0.00000 0.00000 101 6D-1 0.19582 0.34446 0.00000 -0.33123 0.25714 102 6D+2 -0.06506 0.47573 0.00000 -0.48293 0.00293 103 6D-2 0.00000 0.00000 0.03311 0.00000 0.00000 104 7D 0 -0.13219 -0.73658 0.00000 0.79393 0.80175 105 7D+1 0.00000 0.00000 0.02084 0.00000 0.00000 106 7D-1 -0.59927 -1.69790 0.00000 -0.13962 0.24699 107 7D+2 0.29343 -1.00498 0.00000 0.63280 0.79307 108 7D-2 0.00000 0.00000 -0.09914 0.00000 0.00000 109 5 C 1S 0.01619 -0.02499 0.00000 -0.01369 -0.01494 110 2S 0.03269 -0.04151 0.00000 -0.01927 -0.02195 111 2PX 0.00000 0.00000 0.06730 0.00000 0.00000 112 2PY 0.52191 -0.38011 0.00000 -0.09515 0.07222 113 2PZ 0.07757 0.15129 0.00000 -0.11456 -0.04572 114 3S -0.27536 0.46105 0.00000 0.01964 -0.01794 115 3PX 0.00000 0.00000 -0.11523 0.00000 0.00000 116 3PY -1.58312 1.25657 0.00000 0.28365 -0.01872 117 3PZ -0.30028 -0.55949 0.00000 0.53842 0.18465 118 4S 3.03231 -2.46225 0.00000 -1.05347 0.83509 119 4PX 0.00000 0.00000 0.20909 0.00000 0.00000 120 4PY -0.91917 2.29204 0.00000 -0.01250 -0.55267 121 4PZ -0.34930 0.33707 0.00000 0.66344 0.69436 122 5S -1.02897 -1.05369 0.00000 2.18153 1.95643 123 5PX 0.00000 0.00000 -0.46587 0.00000 0.00000 124 5PY 0.09142 0.36586 0.00000 0.10215 0.06525 125 5PZ 0.48184 0.36740 0.00000 -0.39233 -0.51452 126 6D 0 -0.07335 0.17696 0.00000 -0.05619 0.12089 127 6D+1 0.00000 0.00000 -0.13864 0.00000 0.00000 128 6D-1 -0.28979 0.36446 0.00000 0.50694 0.62628 129 6D+2 0.32330 -0.33404 0.00000 -0.36978 -0.24144 130 6D-2 0.00000 0.00000 0.20681 0.00000 0.00000 131 7D 0 0.17944 0.29372 0.00000 0.09342 -0.51446 132 7D+1 0.00000 0.00000 0.09180 0.00000 0.00000 133 7D-1 -1.09056 -1.07031 0.00000 -0.47363 -0.51583 134 7D+2 -0.13711 0.58208 0.00000 0.27224 -0.17032 135 7D-2 0.00000 0.00000 -0.03876 0.00000 0.00000 136 6 N 1S 0.01771 0.00000 0.00000 0.00000 -0.00206 137 2S 0.03503 0.00000 0.00000 0.00000 0.00752 138 2PX 0.00000 0.00000 -1.25798 0.00000 0.00000 139 2PY 0.00000 0.29393 0.00000 0.14502 0.00000 140 2PZ 0.21937 0.00000 0.00000 0.00000 -0.23514 141 3S -0.17913 0.00000 0.00000 0.00000 -0.24710 142 3PX 0.00000 0.00000 1.60275 0.00000 0.00000 143 3PY 0.00000 -0.26481 0.00000 -0.24776 0.00000 144 3PZ -0.02487 0.00000 0.00000 0.00000 0.37924 145 4S -4.27068 0.00000 0.00000 0.00000 -1.50485 146 4PX 0.00000 0.00000 -1.18424 0.00000 0.00000 147 4PY 0.00000 1.45854 0.00000 -0.15190 0.00000 148 4PZ 1.35322 0.00000 0.00000 0.00000 0.18229 149 5S -0.03084 0.00000 0.00000 0.00000 -0.95398 150 5PX 0.00000 0.00000 0.80464 0.00000 0.00000 151 5PY 0.00000 -0.17631 0.00000 -0.21615 0.00000 152 5PZ -0.31503 0.00000 0.00000 0.00000 0.41412 153 6D 0 -0.00409 0.00000 0.00000 0.00000 -0.01557 154 6D+1 0.00000 0.00000 0.03398 0.00000 0.00000 155 6D-1 0.00000 0.10737 0.00000 0.02804 0.00000 156 6D+2 -0.07155 0.00000 0.00000 0.00000 0.07032 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.22044 0.00000 0.00000 0.00000 -0.11624 159 7D+1 0.00000 0.00000 -0.04641 0.00000 0.00000 160 7D-1 0.00000 -0.65599 0.00000 -0.18571 0.00000 161 7D+2 0.42192 0.00000 0.00000 0.00000 -0.28592 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.26160 0.10488 0.00000 -0.02527 -0.01637 164 2S 1.26989 -0.10206 0.00000 -0.10083 -0.21632 165 3S -0.33564 -0.65336 0.00000 -0.07750 -0.08982 166 4PX 0.00000 0.00000 -0.03494 0.00000 0.00000 167 4PY -0.67534 0.23598 0.00000 0.35853 0.21952 168 4PZ -0.36622 0.25498 0.00000 0.18080 0.32609 169 8 H 1S 0.03968 -0.36862 0.00000 -0.02389 0.17103 170 2S -0.03029 -0.66178 0.00000 -0.15088 0.41740 171 3S -0.44121 1.15236 0.00000 -0.19090 -0.50114 172 4PX 0.00000 0.00000 0.03968 0.00000 0.00000 173 4PY -0.07547 0.05794 0.00000 0.40508 -0.09297 174 4PZ 0.12519 0.02626 0.00000 -0.03014 0.28982 175 9 H 1S 0.08288 0.00000 0.00000 0.00000 -0.28869 176 2S 0.58292 0.00000 0.00000 0.00000 -0.71039 177 3S 0.30841 0.00000 0.00000 0.00000 1.23153 178 4PX 0.00000 0.00000 -0.01787 0.00000 0.00000 179 4PY 0.00000 -0.19800 0.00000 0.26973 0.00000 180 4PZ 0.58112 0.00000 0.00000 0.00000 0.12125 181 10 H 1S 0.03968 0.36862 0.00000 0.02389 0.17103 182 2S -0.03029 0.66178 0.00000 0.15088 0.41740 183 3S -0.44121 -1.15236 0.00000 0.19090 -0.50114 184 4PX 0.00000 0.00000 0.03968 0.00000 0.00000 185 4PY 0.07547 0.05794 0.00000 0.40508 0.09297 186 4PZ 0.12519 -0.02626 0.00000 0.03014 0.28982 187 11 H 1S 0.26160 -0.10488 0.00000 0.02527 -0.01637 188 2S 1.26989 0.10206 0.00000 0.10083 -0.21632 189 3S -0.33564 0.65336 0.00000 0.07750 -0.08982 190 4PX 0.00000 0.00000 -0.03494 0.00000 0.00000 191 4PY 0.67534 0.23598 0.00000 0.35853 -0.21952 192 4PZ -0.36622 -0.25498 0.00000 -0.18080 0.32609 176 177 178 179 180 (A1)--V (B2)--V (A1)--V (A1)--V (B2)--V Eigenvalues -- 4.42396 4.53320 4.55495 4.83107 4.96778 1 1 C 1S 0.02490 0.01459 -0.01176 -0.01183 -0.03630 2 2S 0.03778 0.01473 -0.01045 -0.00482 -0.05493 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY 0.33062 0.07566 -0.16668 0.05676 -0.18341 5 2PZ -0.07854 -0.33830 0.21588 0.44320 0.18338 6 3S -0.22468 -0.12912 -0.09971 0.27498 0.80397 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY -1.31552 -0.45746 0.71994 -0.26797 1.26515 9 3PZ 0.13483 1.13947 -0.51471 -2.01107 -0.74238 10 4S -2.91265 0.24120 -0.27555 -3.55432 1.19149 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY -1.02168 -0.16633 0.20927 -1.63408 0.17791 13 4PZ 0.00813 0.60104 -0.09410 -0.14234 -0.04131 14 5S -2.94247 -1.51840 1.45833 -1.90880 -1.41211 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY 0.16540 -0.11024 0.09976 -0.39433 0.17184 17 5PZ 0.93667 0.26228 -0.35204 0.49471 0.52738 18 6D 0 -0.07693 -0.41789 0.24447 0.48121 0.18429 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 -0.28518 -0.31882 0.16769 0.00727 0.19542 21 6D+2 0.06538 -0.04659 -0.03505 0.07036 -0.10091 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.07507 -0.19993 0.11754 0.28888 0.23897 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.25151 0.14281 -0.74920 0.29985 0.85040 26 7D+2 0.26008 -0.37782 0.21718 0.87012 0.35669 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S 0.00359 -0.02711 0.01730 0.01501 -0.02357 29 2S 0.00452 -0.02745 0.00906 0.01778 -0.02787 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.11792 -0.35326 0.39047 -0.10842 -0.42944 32 2PZ -0.25102 -0.30787 0.24976 0.45358 0.31109 33 3S -0.16614 0.37409 0.08418 -0.29552 0.40145 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.46973 1.51905 -1.27777 0.27807 1.80535 36 3PZ 0.69403 1.07359 -1.00093 -1.67310 -1.13802 37 4S 1.81530 0.08140 0.66829 2.05404 0.67800 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY 1.03177 0.24055 -0.73052 1.50457 0.61934 40 4PZ 0.54037 0.37122 -0.60385 0.03384 -0.85847 41 5S 2.85139 1.49334 -3.57373 2.99100 -1.40319 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.00673 0.01002 -0.61874 0.60402 -0.76579 44 5PZ 0.97286 0.17894 -0.22447 0.34292 1.16446 45 6D 0 0.10123 0.45197 -0.37372 -0.40660 -0.17484 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.18961 -0.43533 0.50330 -0.14520 -0.36169 48 6D+2 0.16070 -0.01982 0.04983 -0.09870 -0.23124 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 -0.14339 0.15557 0.85833 -0.66185 -0.53832 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.94967 -0.13543 -0.94552 -0.01507 -0.52163 53 7D+2 -0.39460 0.49449 0.13597 -0.65088 -0.20529 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S -0.02081 0.00000 -0.01385 0.03826 0.00000 56 2S -0.02437 0.00000 -0.00129 0.04643 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 -0.30724 0.00000 0.00000 -0.59042 59 2PZ -0.21842 0.00000 -0.48578 0.44214 0.00000 60 3S 0.42385 0.00000 -0.21477 -0.69733 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.80820 0.00000 0.00000 2.35872 63 3PZ 1.00209 0.00000 1.67489 -2.01113 0.00000 64 4S -1.76468 0.00000 -1.06552 -2.79667 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 -0.02216 0.00000 0.00000 1.34276 67 4PZ -1.13758 0.00000 1.28575 -1.18424 0.00000 68 5S -0.23447 0.00000 4.38214 -3.02535 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.11983 0.00000 0.00000 -1.73705 71 5PZ -0.67153 0.00000 0.88546 -0.49789 0.00000 72 6D 0 -0.35918 0.00000 -0.41607 0.11483 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.28829 0.00000 0.00000 0.62370 75 6D+2 -0.39295 0.00000 -0.53947 0.33962 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 -1.08471 0.00000 1.07227 0.66015 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.51018 0.00000 0.00000 1.09925 80 7D+2 -0.30508 0.00000 1.07990 0.04983 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00359 0.02711 0.01730 0.01501 0.02357 83 2S 0.00452 0.02745 0.00906 0.01778 0.02787 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY -0.11792 -0.35326 -0.39047 0.10842 -0.42944 86 2PZ -0.25102 0.30787 0.24976 0.45358 -0.31109 87 3S -0.16614 -0.37409 0.08418 -0.29552 -0.40145 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY 0.46973 1.51905 1.27777 -0.27807 1.80535 90 3PZ 0.69403 -1.07359 -1.00093 -1.67310 1.13802 91 4S 1.81530 -0.08140 0.66829 2.05404 -0.67800 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -1.03177 0.24055 0.73052 -1.50457 0.61934 94 4PZ 0.54037 -0.37122 -0.60385 0.03384 0.85847 95 5S 2.85139 -1.49334 -3.57373 2.99100 1.40319 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY -0.00673 0.01002 0.61874 -0.60402 -0.76579 98 5PZ 0.97286 -0.17894 -0.22447 0.34292 -1.16446 99 6D 0 0.10123 -0.45197 -0.37372 -0.40660 0.17484 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 -0.18961 -0.43533 -0.50330 0.14520 -0.36169 102 6D+2 0.16070 0.01982 0.04983 -0.09870 0.23124 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.14339 -0.15557 0.85833 -0.66185 0.53832 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 -0.94967 -0.13543 0.94552 0.01507 -0.52163 107 7D+2 -0.39460 -0.49449 0.13597 -0.65088 0.20529 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.02490 -0.01459 -0.01176 -0.01183 0.03630 110 2S 0.03778 -0.01473 -0.01045 -0.00482 0.05493 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.33062 0.07566 0.16668 -0.05676 -0.18341 113 2PZ -0.07854 0.33830 0.21588 0.44320 -0.18338 114 3S -0.22468 0.12912 -0.09971 0.27498 -0.80397 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 1.31552 -0.45746 -0.71994 0.26797 1.26515 117 3PZ 0.13483 -1.13947 -0.51471 -2.01107 0.74238 118 4S -2.91265 -0.24120 -0.27555 -3.55432 -1.19149 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 1.02168 -0.16633 -0.20927 1.63408 0.17791 121 4PZ 0.00813 -0.60104 -0.09410 -0.14234 0.04131 122 5S -2.94247 1.51840 1.45833 -1.90880 1.41211 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.16540 -0.11024 -0.09976 0.39433 0.17184 125 5PZ 0.93667 -0.26228 -0.35204 0.49471 -0.52738 126 6D 0 -0.07693 0.41789 0.24447 0.48121 -0.18429 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.28518 -0.31882 -0.16769 -0.00727 0.19542 129 6D+2 0.06538 0.04659 -0.03505 0.07036 0.10091 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.07507 0.19993 0.11754 0.28888 -0.23897 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.25151 0.14281 0.74920 -0.29985 0.85040 134 7D+2 0.26008 0.37782 0.21718 0.87012 -0.35669 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.01175 0.00000 -0.00461 -0.01131 0.00000 137 2S -0.01069 0.00000 -0.01439 -0.01292 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.21178 0.00000 0.00000 -0.65152 140 2PZ 0.95884 0.00000 -0.29161 0.55753 0.00000 141 3S -0.39923 0.00000 0.38952 -0.32793 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 -0.16655 0.00000 0.00000 1.26438 144 3PZ -1.55096 0.00000 0.39150 -1.11883 0.00000 145 4S 3.91884 0.00000 0.42998 5.57685 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.56092 0.00000 0.00000 1.12499 148 4PZ -0.60548 0.00000 -0.10165 -1.53218 0.00000 149 5S 1.02708 0.00000 -0.27867 2.09568 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 -0.01896 0.00000 0.00000 0.09245 152 5PZ -0.84062 0.00000 0.09991 -0.55594 0.00000 153 6D 0 0.06560 0.00000 -0.03060 0.00034 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.05239 0.00000 0.00000 0.33360 156 6D+2 0.22686 0.00000 -0.11329 0.30841 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.07486 0.00000 -0.16374 0.08524 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.12594 0.00000 0.00000 -0.86216 161 7D+2 -0.62439 0.00000 0.11105 -0.72767 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.03856 0.08622 0.02603 0.17421 -0.22479 164 2S -0.14558 0.88659 0.24901 1.14162 -1.13892 165 3S 0.10994 -0.10926 0.04094 -0.58606 0.34903 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.18308 -0.33961 -0.12732 -0.38325 0.39730 168 4PZ 0.18942 -0.30114 -0.25492 -0.23718 0.25767 169 8 H 1S -0.16806 -0.20131 -0.00720 -0.15942 -0.10971 170 2S -0.57633 -1.44257 -0.70233 -0.40239 -0.49442 171 3S 0.43498 0.36784 -0.16778 0.45050 0.11630 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.18927 0.62711 0.50021 0.13690 0.27700 174 4PZ -0.03993 -0.39064 -0.18351 -0.18339 -0.06544 175 9 H 1S 0.26152 0.00000 -0.02890 -0.20881 0.00000 176 2S 1.17099 0.00000 0.86608 -1.40291 0.00000 177 3S -0.73227 0.00000 0.31748 0.27344 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.11853 0.00000 0.00000 0.13732 180 4PZ 0.58172 0.00000 0.58164 -0.60304 0.00000 181 10 H 1S -0.16806 0.20131 -0.00720 -0.15942 0.10971 182 2S -0.57633 1.44257 -0.70233 -0.40239 0.49442 183 3S 0.43498 -0.36784 -0.16778 0.45050 -0.11630 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.18927 0.62711 -0.50021 -0.13690 0.27700 186 4PZ -0.03993 0.39064 -0.18351 -0.18339 0.06544 187 11 H 1S -0.03856 -0.08622 0.02603 0.17421 0.22479 188 2S -0.14558 -0.88659 0.24901 1.14162 1.13892 189 3S 0.10994 0.10926 0.04094 -0.58606 -0.34903 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY -0.18308 -0.33961 0.12732 0.38325 0.39730 192 4PZ 0.18942 0.30114 -0.25492 -0.23718 -0.25767 181 182 183 184 185 (B1)--V (A2)--V (A1)--V (B2)--V (A1)--V Eigenvalues -- 5.00817 5.06633 5.14032 5.23438 5.62112 1 1 C 1S 0.00000 0.00000 -0.00361 0.00068 0.00246 2 2S 0.00000 0.00000 -0.01307 -0.02599 -0.01603 3 2PX 0.03292 0.00850 0.00000 0.00000 0.00000 4 2PY 0.00000 0.00000 0.07349 -0.02560 0.23691 5 2PZ 0.00000 0.00000 0.06905 -0.24420 0.06855 6 3S 0.00000 0.00000 0.12138 0.45245 0.24341 7 3PX -0.16000 -0.15037 0.00000 0.00000 0.00000 8 3PY 0.00000 0.00000 -0.08621 0.82732 -0.52849 9 3PZ 0.00000 0.00000 -0.17588 1.34072 0.06175 10 4S 0.00000 0.00000 2.62346 1.34506 1.88034 11 4PX -0.44350 -0.11081 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.82486 1.68893 -0.36876 13 4PZ 0.00000 0.00000 -0.49408 2.08448 -0.33504 14 5S 0.00000 0.00000 1.72435 -0.36801 1.08992 15 5PX 0.08250 0.06240 0.00000 0.00000 0.00000 16 5PY 0.00000 0.00000 0.62722 0.31506 -0.37879 17 5PZ 0.00000 0.00000 -0.17720 0.41819 -0.51185 18 6D 0 0.00000 0.00000 0.04253 -0.19440 0.05414 19 6D+1 -0.01609 0.04439 0.00000 0.00000 0.00000 20 6D-1 0.00000 0.00000 -0.09995 -0.01880 -0.15008 21 6D+2 0.00000 0.00000 0.07336 -0.02509 0.12435 22 6D-2 0.06188 0.00740 0.00000 0.00000 0.00000 23 7D 0 0.00000 0.00000 0.05179 -0.64004 1.17551 24 7D+1 0.10086 -0.40069 0.00000 0.00000 0.00000 25 7D-1 0.00000 0.00000 -0.20572 0.80790 1.02487 26 7D+2 0.00000 0.00000 -0.30114 -0.51810 0.32946 27 7D-2 -0.39256 -0.23598 0.00000 0.00000 0.00000 28 2 C 1S 0.00000 0.00000 0.00538 0.00378 0.00922 29 2S 0.00000 0.00000 0.00437 0.00365 0.01331 30 2PX -0.03128 0.02603 0.00000 0.00000 0.00000 31 2PY 0.00000 0.00000 0.05522 0.17953 -0.07184 32 2PZ 0.00000 0.00000 0.08198 -0.24588 0.07439 33 3S 0.00000 0.00000 -0.05331 -0.06783 -0.45182 34 3PX 0.07582 -0.08362 0.00000 0.00000 0.00000 35 3PY 0.00000 0.00000 -0.20955 -0.87082 0.17741 36 3PZ 0.00000 0.00000 -0.35660 1.09823 -0.55709 37 4S 0.00000 0.00000 -0.66878 0.05468 -1.64607 38 4PX 0.29218 -0.01523 0.00000 0.00000 0.00000 39 4PY 0.00000 0.00000 -0.00570 -1.01308 0.09371 40 4PZ 0.00000 0.00000 -0.30916 1.63516 -0.36667 41 5S 0.00000 0.00000 -3.07839 -0.23471 -0.61533 42 5PX -0.08192 -0.01871 0.00000 0.00000 0.00000 43 5PY 0.00000 0.00000 -0.71163 -0.34356 0.46621 44 5PZ 0.00000 0.00000 0.08845 0.62661 -0.39039 45 6D 0 0.00000 0.00000 -0.07762 0.19502 -0.05636 46 6D+1 -0.00758 0.02131 0.00000 0.00000 0.00000 47 6D-1 0.00000 0.00000 -0.08248 0.12353 -0.02570 48 6D+2 0.00000 0.00000 -0.01707 0.15380 -0.04636 49 6D-2 -0.03442 -0.02385 0.00000 0.00000 0.00000 50 7D 0 0.00000 0.00000 -0.12705 0.47498 -0.46860 51 7D+1 0.11403 -0.19633 0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00000 0.20625 0.91264 0.83015 53 7D+2 0.00000 0.00000 -0.10596 0.17774 -0.27168 54 7D-2 0.20735 0.11911 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 0.00000 0.00156 0.00000 0.00831 56 2S 0.00000 0.00000 -0.00321 0.00000 0.00610 57 2PX 0.03363 0.00000 0.00000 0.00000 0.00000 58 2PY 0.00000 0.00000 0.00000 0.41026 0.00000 59 2PZ 0.00000 0.00000 0.06064 0.00000 0.11426 60 3S 0.00000 0.00000 0.18383 0.00000 0.08190 61 3PX -0.09809 0.00000 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.00000 -1.78642 0.00000 63 3PZ 0.00000 0.00000 -0.11323 0.00000 -0.40834 64 4S 0.00000 0.00000 -0.40754 0.00000 0.78987 65 4PX -0.22707 0.00000 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.00000 -2.01575 0.00000 67 4PZ 0.00000 0.00000 -0.27364 0.00000 0.24316 68 5S 0.00000 0.00000 4.17018 0.00000 -1.21076 69 5PX 0.06940 0.00000 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 0.00000 -0.64074 0.00000 71 5PZ 0.00000 0.00000 0.54191 0.00000 -0.07866 72 6D 0 0.00000 0.00000 0.04742 0.00000 0.00065 73 6D+1 0.01392 0.00000 0.00000 0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00000 -0.26277 0.00000 75 6D+2 0.00000 0.00000 0.01987 0.00000 0.05954 76 6D-2 0.00000 -0.02764 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00000 -0.28654 0.00000 -0.53756 78 7D+1 -0.15257 0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 -0.89937 0.00000 80 7D+2 0.00000 0.00000 0.00913 0.00000 -0.31845 81 7D-2 0.00000 0.17141 0.00000 0.00000 0.00000 82 4 C 1S 0.00000 0.00000 0.00538 -0.00378 0.00922 83 2S 0.00000 0.00000 0.00437 -0.00365 0.01331 84 2PX -0.03128 -0.02603 0.00000 0.00000 0.00000 85 2PY 0.00000 0.00000 -0.05522 0.17953 0.07184 86 2PZ 0.00000 0.00000 0.08198 0.24588 0.07439 87 3S 0.00000 0.00000 -0.05331 0.06783 -0.45182 88 3PX 0.07582 0.08362 0.00000 0.00000 0.00000 89 3PY 0.00000 0.00000 0.20955 -0.87082 -0.17741 90 3PZ 0.00000 0.00000 -0.35660 -1.09823 -0.55709 91 4S 0.00000 0.00000 -0.66878 -0.05468 -1.64607 92 4PX 0.29218 0.01523 0.00000 0.00000 0.00000 93 4PY 0.00000 0.00000 0.00570 -1.01308 -0.09371 94 4PZ 0.00000 0.00000 -0.30916 -1.63516 -0.36667 95 5S 0.00000 0.00000 -3.07839 0.23471 -0.61533 96 5PX -0.08192 0.01871 0.00000 0.00000 0.00000 97 5PY 0.00000 0.00000 0.71163 -0.34356 -0.46621 98 5PZ 0.00000 0.00000 0.08845 -0.62661 -0.39039 99 6D 0 0.00000 0.00000 -0.07762 -0.19502 -0.05636 100 6D+1 -0.00758 -0.02131 0.00000 0.00000 0.00000 101 6D-1 0.00000 0.00000 0.08248 0.12353 0.02570 102 6D+2 0.00000 0.00000 -0.01707 -0.15380 -0.04636 103 6D-2 0.03442 -0.02385 0.00000 0.00000 0.00000 104 7D 0 0.00000 0.00000 -0.12705 -0.47498 -0.46860 105 7D+1 0.11403 0.19633 0.00000 0.00000 0.00000 106 7D-1 0.00000 0.00000 -0.20625 0.91264 -0.83015 107 7D+2 0.00000 0.00000 -0.10596 -0.17774 -0.27168 108 7D-2 -0.20735 0.11911 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 -0.00361 -0.00068 0.00246 110 2S 0.00000 0.00000 -0.01307 0.02599 -0.01603 111 2PX 0.03292 -0.00850 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 -0.07349 -0.02560 -0.23691 113 2PZ 0.00000 0.00000 0.06905 0.24420 0.06855 114 3S 0.00000 0.00000 0.12138 -0.45245 0.24341 115 3PX -0.16000 0.15037 0.00000 0.00000 0.00000 116 3PY 0.00000 0.00000 0.08621 0.82732 0.52849 117 3PZ 0.00000 0.00000 -0.17588 -1.34072 0.06175 118 4S 0.00000 0.00000 2.62346 -1.34506 1.88034 119 4PX -0.44350 0.11081 0.00000 0.00000 0.00000 120 4PY 0.00000 0.00000 -0.82486 1.68893 0.36876 121 4PZ 0.00000 0.00000 -0.49408 -2.08448 -0.33504 122 5S 0.00000 0.00000 1.72435 0.36801 1.08992 123 5PX 0.08250 -0.06240 0.00000 0.00000 0.00000 124 5PY 0.00000 0.00000 -0.62722 0.31506 0.37879 125 5PZ 0.00000 0.00000 -0.17720 -0.41819 -0.51185 126 6D 0 0.00000 0.00000 0.04253 0.19440 0.05414 127 6D+1 -0.01609 -0.04439 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.09995 -0.01880 0.15008 129 6D+2 0.00000 0.00000 0.07336 0.02509 0.12435 130 6D-2 -0.06188 0.00740 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.05179 0.64004 1.17551 132 7D+1 0.10086 0.40069 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 0.20572 0.80790 -1.02487 134 7D+2 0.00000 0.00000 -0.30114 0.51810 0.32946 135 7D-2 0.39256 -0.23598 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 0.00000 -0.02553 0.00000 -0.01280 137 2S 0.00000 0.00000 -0.03971 0.00000 -0.01736 138 2PX 0.03345 0.00000 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 0.00000 -0.50966 0.00000 140 2PZ 0.00000 0.00000 0.14903 0.00000 0.27559 141 3S 0.00000 0.00000 0.52521 0.00000 0.10150 142 3PX -0.05846 0.00000 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 1.18434 0.00000 144 3PZ 0.00000 0.00000 -0.37404 0.00000 -0.57318 145 4S 0.00000 0.00000 -2.09690 0.00000 -1.02026 146 4PX 0.74544 0.00000 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 3.52478 0.00000 148 4PZ 0.00000 0.00000 1.75084 0.00000 -0.98614 149 5S 0.00000 0.00000 -3.43110 0.00000 0.41951 150 5PX -0.03274 0.00000 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.77315 0.00000 152 5PZ 0.00000 0.00000 0.48843 0.00000 0.55158 153 6D 0 0.00000 0.00000 0.92728 0.00000 -0.79722 154 6D+1 1.16657 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.99803 0.00000 156 6D+2 0.00000 0.00000 -0.69274 0.00000 -0.90916 157 6D-2 0.00000 1.18566 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 -0.86093 0.00000 1.46266 159 7D+1 -0.90661 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 -1.81176 0.00000 161 7D+2 0.00000 0.00000 0.45619 0.00000 1.24660 162 7D-2 0.00000 -1.07083 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 -0.03668 -0.02465 0.06140 164 2S 0.00000 0.00000 -0.39509 -0.00390 0.16981 165 3S 0.00000 0.00000 0.43373 -0.15225 -0.40209 166 4PX -0.08771 -0.04834 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.09164 0.04081 0.16784 168 4PZ 0.00000 0.00000 0.08456 -0.12653 -0.11611 169 8 H 1S 0.00000 0.00000 -0.03663 0.03798 -0.08033 170 2S 0.00000 0.00000 -0.30744 0.50695 -0.50737 171 3S 0.00000 0.00000 0.19372 -0.16549 0.34325 172 4PX 0.05355 -0.01660 0.00000 0.00000 0.00000 173 4PY 0.00000 0.00000 0.10325 -0.17100 0.12819 174 4PZ 0.00000 0.00000 -0.03763 -0.05184 -0.01808 175 9 H 1S 0.00000 0.00000 0.01311 0.00000 -0.00349 176 2S 0.00000 0.00000 0.14662 0.00000 0.24134 177 3S 0.00000 0.00000 -0.19765 0.00000 -0.11055 178 4PX -0.02605 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 -0.07848 0.00000 180 4PZ 0.00000 0.00000 0.00137 0.00000 -0.01478 181 10 H 1S 0.00000 0.00000 -0.03663 -0.03798 -0.08033 182 2S 0.00000 0.00000 -0.30744 -0.50695 -0.50737 183 3S 0.00000 0.00000 0.19372 0.16549 0.34325 184 4PX 0.05355 0.01660 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00000 -0.10325 -0.17100 -0.12819 186 4PZ 0.00000 0.00000 -0.03763 0.05184 -0.01808 187 11 H 1S 0.00000 0.00000 -0.03668 0.02465 0.06140 188 2S 0.00000 0.00000 -0.39509 0.00390 0.16981 189 3S 0.00000 0.00000 0.43373 0.15225 -0.40209 190 4PX -0.08771 0.04834 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 -0.09164 0.04081 -0.16784 192 4PZ 0.00000 0.00000 0.08456 0.12653 -0.11611 186 187 188 189 190 (B2)--V (A1)--V (B2)--V (A1)--V (B2)--V Eigenvalues -- 5.64414 23.73678 23.99958 24.00346 24.03926 1 1 C 1S -0.02546 -0.76969 0.58773 0.63176 -1.31803 2 2S -0.02166 0.84085 -0.64728 -0.69736 1.45722 3 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 4 2PY -0.30858 0.00916 -0.00187 -0.00641 0.02097 5 2PZ -0.32275 0.04869 0.03805 0.00756 0.01795 6 3S 0.19422 -0.27115 0.20211 0.31508 -0.70921 7 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 3PY 1.49878 -0.03286 0.03018 0.03857 -0.18594 9 3PZ 1.44409 -0.21255 -0.09733 -0.07672 -0.05881 10 4S -1.17035 -1.00356 -0.03903 0.23645 -0.03676 11 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 12 4PY 0.00596 -0.43328 -0.10306 0.04351 0.05840 13 4PZ 1.46364 0.05852 0.13171 -0.18599 -0.32864 14 5S 0.72193 1.35118 0.71286 -0.73858 0.69616 15 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 16 5PY -0.61162 -0.09356 -0.07232 0.05917 0.26937 17 5PZ -0.34324 -0.39459 -0.21652 0.17179 0.11376 18 6D 0 -0.22353 0.01382 0.01568 0.01648 -0.00887 19 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 20 6D-1 0.36457 0.00606 -0.00394 0.00518 -0.01327 21 6D+2 -0.30169 0.01268 -0.01640 -0.02024 0.05242 22 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 23 7D 0 -0.54708 0.08049 0.14991 0.06292 0.08176 24 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 25 7D-1 0.92096 -0.08054 0.08817 -0.11221 -0.12087 26 7D+2 -0.19502 0.17167 0.05327 0.05165 0.02485 27 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 28 2 C 1S -0.00753 -1.03883 -1.31657 0.30000 -0.58904 29 2S -0.00709 1.13401 1.45070 -0.32974 0.65140 30 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 31 2PY 0.04918 -0.03355 0.01491 -0.04509 0.02123 32 2PZ -0.27774 -0.00360 0.01812 0.05860 -0.04279 33 3S 0.07410 -0.46702 -0.60752 0.06981 -0.37711 34 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 35 3PY -0.21244 0.14748 -0.10694 0.12772 -0.14613 36 3PZ 1.26502 0.01147 -0.06074 -0.20447 0.14015 37 4S 0.46303 1.03574 0.02850 -0.24664 -0.32052 38 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 39 4PY -0.27647 0.51536 0.04588 -0.06826 -0.20010 40 4PZ 1.51845 0.18159 0.18145 -0.36869 0.05857 41 5S 1.33715 -1.41310 -0.41167 1.17644 0.05637 42 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 43 5PY 0.77443 -0.01030 0.02710 0.05896 -0.11782 44 5PZ -1.01862 -0.40131 -0.37024 0.23432 -0.12795 45 6D 0 0.18839 -0.00882 -0.02705 -0.01225 -0.00044 46 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 47 6D-1 0.09691 -0.00893 0.00128 -0.01156 0.01164 48 6D+2 0.05480 0.02250 0.04195 -0.01834 0.02335 49 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 50 7D 0 0.65016 0.02727 0.00973 -0.12945 0.21713 51 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 52 7D-1 0.48147 -0.20840 0.07898 -0.25191 -0.00852 53 7D+2 0.44435 -0.04371 -0.00782 -0.11924 0.08122 54 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 55 3 C 1S 0.00000 -0.89535 0.00000 -1.78372 0.00000 56 2S 0.00000 0.97847 0.00000 1.96668 0.00000 57 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 58 2PY 0.22083 0.00000 0.07864 0.00000 0.05276 59 2PZ 0.00000 -0.03216 0.00000 0.02600 0.00000 60 3S 0.00000 -0.43531 0.00000 -0.84161 0.00000 61 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 3PY -1.09937 0.00000 -0.25663 0.00000 -0.22210 63 3PZ 0.00000 0.09442 0.00000 -0.15289 0.00000 64 4S 0.00000 -0.95099 0.00000 0.02031 0.00000 65 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 66 4PY -1.29048 0.00000 -0.35518 0.00000 -0.31254 67 4PZ 0.00000 -0.37499 0.00000 0.23272 0.00000 68 5S 0.00000 0.21028 0.00000 -0.91387 0.00000 69 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 70 5PY 1.39855 0.00000 0.35483 0.00000 0.21484 71 5PZ 0.00000 0.08432 0.00000 -0.29697 0.00000 72 6D 0 0.00000 -0.01789 0.00000 -0.02818 0.00000 73 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 74 6D-1 -0.16915 0.00000 -0.02155 0.00000 -0.01993 75 6D+2 0.00000 0.00619 0.00000 0.05734 0.00000 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 -0.04520 0.00000 0.05649 0.00000 78 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 79 7D-1 -0.65706 0.00000 -0.26893 0.00000 -0.34070 80 7D+2 0.00000 -0.02096 0.00000 0.04168 0.00000 81 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 82 4 C 1S 0.00753 -1.03883 1.31657 0.30000 0.58904 83 2S 0.00709 1.13401 -1.45070 -0.32974 -0.65140 84 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 2PY 0.04918 0.03355 0.01491 0.04509 0.02123 86 2PZ 0.27774 -0.00360 -0.01812 0.05860 0.04279 87 3S -0.07410 -0.46702 0.60752 0.06981 0.37711 88 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 89 3PY -0.21244 -0.14748 -0.10694 -0.12772 -0.14613 90 3PZ -1.26502 0.01147 0.06074 -0.20447 -0.14015 91 4S -0.46303 1.03574 -0.02850 -0.24664 0.32052 92 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 93 4PY -0.27647 -0.51536 0.04588 0.06826 -0.20010 94 4PZ -1.51845 0.18159 -0.18145 -0.36869 -0.05857 95 5S -1.33715 -1.41310 0.41167 1.17644 -0.05637 96 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 97 5PY 0.77443 0.01030 0.02710 -0.05896 -0.11782 98 5PZ 1.01862 -0.40131 0.37024 0.23432 0.12795 99 6D 0 -0.18839 -0.00882 0.02705 -0.01225 0.00044 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.09691 0.00893 0.00128 0.01156 0.01164 102 6D+2 -0.05480 0.02250 -0.04195 -0.01834 -0.02335 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.65016 0.02727 -0.00973 -0.12945 -0.21713 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 106 7D-1 0.48147 0.20840 0.07898 0.25191 -0.00852 107 7D+2 -0.44435 -0.04371 0.00782 -0.11924 -0.08122 108 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.02546 -0.76969 -0.58773 0.63176 1.31803 110 2S 0.02166 0.84085 0.64728 -0.69736 -1.45722 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.30858 -0.00916 -0.00187 0.00641 0.02097 113 2PZ 0.32275 0.04869 -0.03805 0.00756 -0.01795 114 3S -0.19422 -0.27115 -0.20211 0.31508 0.70921 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 1.49878 0.03286 0.03018 -0.03857 -0.18594 117 3PZ -1.44409 -0.21255 0.09733 -0.07672 0.05881 118 4S 1.17035 -1.00356 0.03903 0.23645 0.03676 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY 0.00596 0.43328 -0.10306 -0.04351 0.05840 121 4PZ -1.46364 0.05852 -0.13171 -0.18599 0.32864 122 5S -0.72193 1.35118 -0.71286 -0.73858 -0.69616 123 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 124 5PY -0.61162 0.09356 -0.07232 -0.05917 0.26937 125 5PZ 0.34324 -0.39459 0.21652 0.17179 -0.11376 126 6D 0 0.22353 0.01382 -0.01568 0.01648 0.00887 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.36457 -0.00606 -0.00394 -0.00518 -0.01327 129 6D+2 0.30169 0.01268 0.01640 -0.02024 -0.05242 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.54708 0.08049 -0.14991 0.06292 -0.08176 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.92096 0.08054 0.08817 0.11221 -0.12087 134 7D+2 0.19502 0.17167 -0.05327 0.05165 -0.02485 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S 0.00000 -0.00648 0.00000 -0.00774 0.00000 137 2S 0.00000 0.00435 0.00000 0.00378 0.00000 138 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 139 2PY -0.97940 0.00000 -0.02121 0.00000 0.08820 140 2PZ 0.00000 0.03259 0.00000 -0.00910 0.00000 141 3S 0.00000 -0.10325 0.00000 0.10494 0.00000 142 3PX 0.00000 0.00000 0.00000 0.00000 0.00000 143 3PY 2.35755 0.00000 0.03657 0.00000 -0.23794 144 3PZ 0.00000 -0.10772 0.00000 -0.00071 0.00000 145 4S 0.00000 1.57554 0.00000 -0.05704 0.00000 146 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 147 4PY 1.10334 0.00000 0.27549 0.00000 -0.61351 148 4PZ 0.00000 -0.56831 0.00000 0.06098 0.00000 149 5S 0.00000 0.14195 0.00000 0.07699 0.00000 150 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 151 5PY -0.02688 0.00000 -0.08126 0.00000 0.28914 152 5PZ 0.00000 0.15611 0.00000 -0.06196 0.00000 153 6D 0 0.00000 -0.00675 0.00000 -0.00170 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.57718 0.00000 0.00222 0.00000 -0.01360 156 6D+2 0.00000 -0.00266 0.00000 -0.00358 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.01334 0.00000 0.00884 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.75780 0.00000 -0.02976 0.00000 0.31060 161 7D+2 0.00000 -0.12974 0.00000 0.06049 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.12366 0.00566 -0.02615 0.00296 0.02373 164 2S -0.50802 0.20557 0.00033 -0.06822 -0.10824 165 3S 0.47976 -0.19358 0.09456 0.09759 -0.09354 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.23583 -0.07021 -0.02509 0.04951 0.04857 168 4PZ 0.04016 -0.07642 0.01392 -0.00095 0.05269 169 8 H 1S -0.02161 0.00362 0.02488 0.01690 -0.00609 170 2S -0.31408 0.30697 -0.08630 -0.01827 -0.09954 171 3S -0.04576 0.00549 -0.00320 -0.10113 0.11281 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.03055 -0.12250 0.05502 -0.01630 0.02528 174 4PZ -0.16831 0.03578 -0.04083 -0.05190 -0.05420 175 9 H 1S 0.00000 0.01146 0.00000 -0.03247 0.00000 176 2S 0.00000 0.18005 0.00000 0.16991 0.00000 177 3S 0.00000 -0.16840 0.00000 0.00582 0.00000 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY -0.08399 0.00000 -0.04605 0.00000 -0.07034 180 4PZ 0.00000 0.10558 0.00000 0.10115 0.00000 181 10 H 1S 0.02161 0.00362 -0.02488 0.01690 0.00609 182 2S 0.31408 0.30697 0.08630 -0.01827 0.09954 183 3S 0.04576 0.00549 0.00320 -0.10113 -0.11281 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.03055 0.12250 0.05502 0.01630 0.02528 186 4PZ 0.16831 0.03578 0.04083 -0.05190 0.05420 187 11 H 1S 0.12366 0.00566 0.02615 0.00296 -0.02373 188 2S 0.50802 0.20557 -0.00033 -0.06822 0.10824 189 3S -0.47976 -0.19358 -0.09456 0.09759 0.09354 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.23583 0.07021 -0.02509 -0.04951 0.04857 192 4PZ -0.04016 -0.07642 -0.01392 -0.00095 -0.05269 191 192 (A1)--V (A1)--V Eigenvalues -- 24.08734 35.65883 1 1 C 1S -1.04321 -0.00248 2 2S 1.15448 0.00446 3 2PX 0.00000 0.00000 4 2PY 0.00054 -0.02466 5 2PZ -0.03221 -0.02018 6 3S -0.44237 -0.03033 7 3PX 0.00000 0.00000 8 3PY -0.02832 0.03745 9 3PZ 0.09684 0.04337 10 4S -0.88319 -1.22273 11 4PX 0.00000 0.00000 12 4PY -0.04627 -0.55326 13 4PZ 0.24527 0.31193 14 5S 0.71778 -0.18530 15 5PX 0.00000 0.00000 16 5PY -0.00096 -0.16066 17 5PZ -0.15591 0.01383 18 6D 0 -0.02421 -0.00101 19 6D+1 0.00000 0.00000 20 6D-1 -0.00354 0.00640 21 6D+2 0.01928 -0.01058 22 6D-2 0.00000 0.00000 23 7D 0 -0.22055 -0.05853 24 7D+1 0.00000 0.00000 25 7D-1 -0.08011 0.19697 26 7D+2 0.04939 0.03382 27 7D-2 0.00000 0.00000 28 2 C 1S 0.95211 0.00270 29 2S -1.05202 -0.00385 30 2PX 0.00000 0.00000 31 2PY -0.01151 -0.01072 32 2PZ -0.03407 -0.01153 33 3S 0.38951 -0.02559 34 3PX 0.00000 0.00000 35 3PY 0.04593 0.05807 36 3PZ 0.13306 0.06937 37 4S 0.85092 1.06281 38 4PX 0.00000 0.00000 39 4PY -0.02341 0.65419 40 4PZ 0.18030 0.36764 41 5S -0.99384 0.83629 42 5PX 0.00000 0.00000 43 5PY -0.07640 0.30256 44 5PZ -0.19465 -0.01495 45 6D 0 0.01805 0.00806 46 6D+1 0.00000 0.00000 47 6D-1 0.00519 -0.00428 48 6D+2 -0.02012 0.00099 49 6D-2 0.00000 0.00000 50 7D 0 0.25025 0.02876 51 7D+1 0.00000 0.00000 52 7D-1 -0.08489 0.10638 53 7D+2 -0.00001 -0.01139 54 7D-2 0.00000 0.00000 55 3 C 1S -0.41681 0.01063 56 2S 0.45970 -0.01581 57 2PX 0.00000 0.00000 58 2PY 0.00000 0.00000 59 2PZ 0.01930 0.00588 60 3S -0.07669 0.08082 61 3PX 0.00000 0.00000 62 3PY 0.00000 0.00000 63 3PZ -0.02122 -0.02500 64 4S -0.56302 -1.01347 65 4PX 0.00000 0.00000 66 4PY 0.00000 0.00000 67 4PZ 0.07840 -0.56757 68 5S 0.67660 -1.47094 69 5PX 0.00000 0.00000 70 5PY 0.00000 0.00000 71 5PZ 0.21746 -0.28805 72 6D 0 -0.00851 -0.00539 73 6D+1 0.00000 0.00000 74 6D-1 0.00000 0.00000 75 6D+2 0.00148 -0.00213 76 6D-2 0.00000 0.00000 77 7D 0 0.13689 -0.01681 78 7D+1 0.00000 0.00000 79 7D-1 0.00000 0.00000 80 7D+2 0.24133 -0.00412 81 7D-2 0.00000 0.00000 82 4 C 1S 0.95211 0.00270 83 2S -1.05202 -0.00385 84 2PX 0.00000 0.00000 85 2PY 0.01151 0.01072 86 2PZ -0.03407 -0.01153 87 3S 0.38951 -0.02559 88 3PX 0.00000 0.00000 89 3PY -0.04593 -0.05807 90 3PZ 0.13306 0.06937 91 4S 0.85092 1.06281 92 4PX 0.00000 0.00000 93 4PY 0.02341 -0.65419 94 4PZ 0.18030 0.36764 95 5S -0.99384 0.83629 96 5PX 0.00000 0.00000 97 5PY 0.07640 -0.30256 98 5PZ -0.19465 -0.01495 99 6D 0 0.01805 0.00806 100 6D+1 0.00000 0.00000 101 6D-1 -0.00519 0.00428 102 6D+2 -0.02012 0.00099 103 6D-2 0.00000 0.00000 104 7D 0 0.25025 0.02876 105 7D+1 0.00000 0.00000 106 7D-1 0.08489 -0.10638 107 7D+2 -0.00001 -0.01139 108 7D-2 0.00000 0.00000 109 5 C 1S -1.04321 -0.00248 110 2S 1.15448 0.00446 111 2PX 0.00000 0.00000 112 2PY -0.00054 0.02466 113 2PZ -0.03221 -0.02018 114 3S -0.44237 -0.03033 115 3PX 0.00000 0.00000 116 3PY 0.02832 -0.03745 117 3PZ 0.09684 0.04337 118 4S -0.88319 -1.22273 119 4PX 0.00000 0.00000 120 4PY 0.04627 0.55326 121 4PZ 0.24527 0.31193 122 5S 0.71778 -0.18530 123 5PX 0.00000 0.00000 124 5PY 0.00096 0.16066 125 5PZ -0.15591 0.01383 126 6D 0 -0.02421 -0.00101 127 6D+1 0.00000 0.00000 128 6D-1 0.00354 -0.00640 129 6D+2 0.01928 -0.01058 130 6D-2 0.00000 0.00000 131 7D 0 -0.22055 -0.05853 132 7D+1 0.00000 0.00000 133 7D-1 0.08011 -0.19697 134 7D+2 0.04939 0.03382 135 7D-2 0.00000 0.00000 136 6 N 1S 0.00092 -2.14974 137 2S 0.00032 2.29241 138 2PX 0.00000 0.00000 139 2PY 0.00000 0.00000 140 2PZ 0.01882 -0.01520 141 3S -0.12334 -0.62981 142 3PX 0.00000 0.00000 143 3PY 0.00000 0.00000 144 3PZ -0.02802 0.08892 145 4S 0.84052 1.29700 146 4PX 0.00000 0.00000 147 4PY 0.00000 0.00000 148 4PZ -0.19910 -0.54604 149 5S -0.17637 0.51353 150 5PX 0.00000 0.00000 151 5PY 0.00000 0.00000 152 5PZ 0.03691 -0.05608 153 6D 0 0.00378 -0.01430 154 6D+1 0.00000 0.00000 155 6D-1 0.00000 0.00000 156 6D+2 0.02594 0.02352 157 6D-2 0.00000 0.00000 158 7D 0 -0.06638 0.08316 159 7D+1 0.00000 0.00000 160 7D-1 0.00000 0.00000 161 7D+2 -0.22258 -0.04581 162 7D-2 0.00000 0.00000 163 7 H 1S -0.01721 0.02280 164 2S 0.14955 0.11715 165 3S -0.04495 -0.23084 166 4PX 0.00000 0.00000 167 4PY -0.07911 -0.05294 168 4PZ -0.01746 0.00500 169 8 H 1S 0.02771 -0.01621 170 2S -0.10518 0.08533 171 3S 0.00032 0.20522 172 4PX 0.00000 0.00000 173 4PY 0.05711 -0.00074 174 4PZ -0.00103 0.02211 175 9 H 1S -0.02689 0.00538 176 2S 0.06860 -0.05522 177 3S 0.09902 -0.11934 178 4PX 0.00000 0.00000 179 4PY 0.00000 0.00000 180 4PZ 0.02346 -0.00289 181 10 H 1S 0.02771 -0.01621 182 2S -0.10518 0.08533 183 3S 0.00032 0.20522 184 4PX 0.00000 0.00000 185 4PY -0.05711 0.00074 186 4PZ -0.00103 0.02211 187 11 H 1S -0.01721 0.02280 188 2S 0.14955 0.11715 189 3S -0.04495 -0.23084 190 4PX 0.00000 0.00000 191 4PY 0.07911 0.05294 192 4PZ -0.01746 0.00500 Density Matrix: 1 2 3 4 5 1 1 C 1S 0.65869 2 2S 0.56020 0.48942 3 2PX -0.00000 -0.00000 0.06623 4 2PY 0.00114 0.00176 -0.00000 0.08919 5 2PZ 0.00122 0.00195 -0.00000 -0.00266 0.09237 6 3S -0.08030 -0.14341 0.00000 -0.00213 -0.00604 7 3PX -0.00000 -0.00000 0.10127 -0.00000 -0.00000 8 3PY 0.00249 0.00206 -0.00000 0.12190 -0.00202 9 3PZ 0.00182 0.00349 -0.00000 -0.00204 0.12942 10 4S -0.03860 -0.06590 0.00000 -0.02925 0.00903 11 4PX -0.00000 -0.00000 0.07801 -0.00000 -0.00000 12 4PY 0.00822 0.01192 -0.00000 0.05305 -0.00887 13 4PZ 0.00029 0.00018 -0.00000 -0.00094 0.05325 14 5S -0.05707 -0.07025 -0.00000 0.02230 -0.01216 15 5PX 0.00000 -0.00000 0.01516 -0.00000 -0.00000 16 5PY -0.00011 0.00261 -0.00000 0.00803 0.00541 17 5PZ 0.00786 0.01113 0.00000 -0.00437 0.01314 18 6D 0 -0.00087 -0.00172 0.00000 -0.00101 -0.00638 19 6D+1 -0.00000 -0.00000 -0.00100 -0.00000 -0.00000 20 6D-1 -0.00019 -0.00040 -0.00000 0.00682 0.00029 21 6D+2 0.00097 0.00228 -0.00000 -0.00182 -0.00385 22 6D-2 0.00000 0.00000 0.00243 -0.00000 -0.00000 23 7D 0 0.00150 0.00133 0.00000 -0.00036 -0.00366 24 7D+1 -0.00000 0.00000 -0.00238 -0.00000 -0.00000 25 7D-1 0.00097 -0.00004 -0.00000 0.00496 0.00170 26 7D+2 -0.00106 -0.00101 0.00000 -0.00223 -0.00229 27 7D-2 0.00000 0.00000 0.00243 -0.00000 -0.00000 28 2 C 1S 0.00539 0.00838 0.00000 0.00012 0.01941 29 2S 0.00838 0.01286 0.00000 0.00020 0.03119 30 2PX 0.00000 0.00000 0.04478 -0.00000 -0.00000 31 2PY -0.00098 -0.00158 -0.00000 0.00413 -0.00089 32 2PZ -0.01967 -0.03163 -0.00000 -0.00234 -0.07038 33 3S -0.01984 -0.03096 -0.00000 -0.00008 -0.08727 34 3PX 0.00000 0.00000 0.06897 -0.00000 -0.00000 35 3PY -0.00129 -0.00227 -0.00000 0.00725 -0.00105 36 3PZ -0.03185 -0.04769 -0.00000 -0.00282 -0.09913 37 4S -0.02335 -0.02725 -0.00000 0.01488 -0.04788 38 4PX 0.00000 0.00000 0.05490 -0.00000 -0.00000 39 4PY -0.00659 -0.00926 -0.00000 0.00804 0.00581 40 4PZ -0.01669 -0.02331 -0.00000 0.00449 -0.05491 41 5S 0.05897 0.06888 -0.00000 0.01691 0.01463 42 5PX -0.00000 -0.00000 0.00349 -0.00000 0.00000 43 5PY 0.00382 0.00210 -0.00000 0.00583 -0.00311 44 5PZ 0.01514 0.02106 0.00000 -0.00596 0.01439 45 6D 0 -0.00230 -0.00353 -0.00000 -0.00034 -0.00576 46 6D+1 0.00000 -0.00000 0.00297 -0.00000 -0.00000 47 6D-1 -0.00025 -0.00030 -0.00000 0.00315 -0.00111 48 6D+2 -0.00042 -0.00064 -0.00000 -0.00025 -0.00115 49 6D-2 -0.00000 -0.00000 0.00045 -0.00000 -0.00000 50 7D 0 -0.00761 -0.00793 -0.00000 -0.00031 -0.00234 51 7D+1 -0.00000 -0.00000 0.00800 -0.00000 -0.00000 52 7D-1 0.00170 0.00158 -0.00000 0.00828 -0.00089 53 7D+2 -0.00097 -0.00071 -0.00000 0.00087 -0.00117 54 7D-2 -0.00000 -0.00000 -0.00100 0.00000 -0.00000 55 3 C 1S -0.00104 -0.00164 -0.00000 0.00095 -0.00434 56 2S -0.00164 -0.00266 -0.00000 0.00155 -0.00689 57 2PX 0.00000 0.00000 0.00029 -0.00000 0.00000 58 2PY -0.00248 -0.00393 -0.00000 0.00298 -0.00803 59 2PZ 0.00308 0.00497 0.00000 -0.00047 0.00942 60 3S 0.00434 0.00776 0.00000 -0.00424 0.02055 61 3PX 0.00000 0.00000 0.00092 -0.00000 0.00000 62 3PY -0.00247 -0.00467 -0.00000 0.00302 -0.01188 63 3PZ 0.00346 0.00642 0.00000 -0.00120 0.01272 64 4S 0.01999 0.02239 0.00000 -0.01534 0.00626 65 4PX 0.00000 0.00000 -0.00391 -0.00000 0.00000 66 4PY 0.00004 -0.00092 -0.00000 0.00644 -0.00389 67 4PZ 0.00831 0.01080 0.00000 -0.00803 0.01024 68 5S -0.03642 -0.04129 0.00000 -0.03915 -0.02088 69 5PX 0.00000 0.00000 0.00232 -0.00000 0.00000 70 5PY -0.00319 -0.00708 -0.00000 0.00561 -0.01677 71 5PZ -0.01134 -0.01317 0.00000 -0.00662 -0.00473 72 6D 0 -0.00051 -0.00082 -0.00000 0.00009 -0.00231 73 6D+1 -0.00000 -0.00000 0.00053 0.00000 -0.00000 74 6D-1 0.00029 0.00042 0.00000 -0.00042 0.00107 75 6D+2 -0.00020 -0.00047 0.00000 -0.00005 -0.00148 76 6D-2 -0.00000 -0.00000 -0.00283 0.00000 -0.00000 77 7D 0 -0.00292 -0.00394 -0.00000 0.00135 -0.00473 78 7D+1 -0.00000 -0.00000 0.00140 -0.00000 -0.00000 79 7D-1 0.00298 0.00312 0.00000 0.00075 0.00404 80 7D+2 -0.00305 -0.00331 0.00000 -0.00018 -0.00165 81 7D-2 -0.00000 -0.00000 -0.00887 0.00000 -0.00000 82 4 C 1S -0.00123 -0.00183 -0.00000 0.00213 -0.00125 83 2S -0.00183 -0.00291 -0.00000 0.00345 -0.00194 84 2PX 0.00000 0.00000 -0.02797 0.00000 0.00000 85 2PY -0.00198 -0.00309 0.00000 0.00143 -0.00568 86 2PZ 0.00146 0.00239 0.00000 -0.00592 -0.00394 87 3S 0.00420 0.00757 0.00000 -0.00995 0.00612 88 3PX 0.00000 0.00000 -0.04239 0.00000 0.00000 89 3PY -0.00160 -0.00382 0.00000 0.00366 -0.00861 90 3PZ 0.00179 0.00317 0.00000 -0.00776 -0.00370 91 4S -0.02167 -0.01989 -0.00000 0.00246 -0.00148 92 4PX -0.00000 -0.00000 -0.04017 0.00000 0.00000 93 4PY 0.00597 0.00499 0.00000 -0.00230 -0.00758 94 4PZ -0.00485 -0.00388 0.00000 -0.00368 -0.00607 95 5S 0.07108 0.08233 0.00000 -0.00038 0.05596 96 5PX 0.00000 0.00000 -0.01669 0.00000 0.00000 97 5PY -0.00338 -0.00591 0.00000 -0.00483 -0.00818 98 5PZ 0.01275 0.01195 0.00000 -0.00296 -0.00232 99 6D 0 0.00001 0.00002 0.00000 -0.00027 -0.00034 100 6D+1 0.00000 0.00000 -0.00043 -0.00000 -0.00000 101 6D-1 -0.00004 -0.00003 -0.00000 0.00029 0.00026 102 6D+2 -0.00005 -0.00009 0.00000 -0.00007 -0.00037 103 6D-2 -0.00000 -0.00000 0.00001 -0.00000 -0.00000 104 7D 0 -0.00194 -0.00241 -0.00000 0.00103 -0.00117 105 7D+1 0.00000 0.00000 -0.00037 -0.00000 -0.00000 106 7D-1 -0.00230 -0.00315 -0.00000 0.00294 0.00204 107 7D+2 0.00015 -0.00006 0.00000 -0.00044 0.00019 108 7D-2 -0.00000 -0.00000 -0.00164 0.00000 -0.00000 109 5 C 1S -0.00114 -0.00178 -0.00000 0.00436 0.00078 110 2S -0.00178 -0.00281 -0.00000 0.00693 0.00111 111 2PX 0.00000 0.00000 -0.00731 -0.00000 -0.00000 112 2PY -0.00436 -0.00693 -0.00000 0.01323 0.00404 113 2PZ 0.00078 0.00111 0.00000 -0.00404 -0.00070 114 3S 0.00428 0.00772 0.00000 -0.02077 -0.00178 115 3PX 0.00000 0.00000 -0.01169 -0.00000 -0.00000 116 3PY -0.00483 -0.00847 -0.00000 0.01648 0.00360 117 3PZ 0.00065 0.00083 0.00000 -0.00471 -0.00201 118 4S 0.01779 0.01668 0.00000 -0.01830 -0.00153 119 4PX 0.00000 0.00000 -0.01749 -0.00000 0.00000 120 4PY -0.00805 -0.00909 -0.00000 0.01445 0.00149 121 4PZ -0.01117 -0.01204 0.00000 0.00383 -0.00038 122 5S -0.04488 -0.04985 -0.00000 0.00143 -0.02936 123 5PX 0.00000 0.00000 0.00242 -0.00000 -0.00000 124 5PY -0.00414 -0.00268 -0.00000 0.00710 0.00572 125 5PZ 0.01635 0.01684 0.00000 -0.00530 0.00603 126 6D 0 0.00074 0.00118 0.00000 -0.00257 -0.00101 127 6D+1 0.00000 0.00000 0.00247 -0.00000 -0.00000 128 6D-1 -0.00066 -0.00107 -0.00000 0.00208 0.00116 129 6D+2 0.00050 0.00063 0.00000 -0.00153 -0.00049 130 6D-2 0.00000 0.00000 -0.00234 -0.00000 -0.00000 131 7D 0 0.00405 0.00519 0.00000 -0.00667 -0.00417 132 7D+1 0.00000 0.00000 0.00632 -0.00000 -0.00000 133 7D-1 -0.00208 -0.00372 -0.00000 0.00461 0.00237 134 7D+2 0.00037 0.00155 0.00000 -0.00499 -0.00063 135 7D-2 0.00000 0.00000 -0.00559 -0.00000 -0.00000 136 6 N 1S 0.00387 0.00568 0.00000 -0.01354 -0.00779 137 2S 0.00587 0.00864 0.00000 -0.02166 -0.01247 138 2PX -0.00000 -0.00000 0.04675 0.00000 0.00000 139 2PY 0.01728 0.02736 0.00000 -0.05346 -0.03328 140 2PZ 0.01226 0.01967 0.00000 -0.03918 -0.01763 141 3S -0.01253 -0.01951 -0.00000 0.06176 0.03584 142 3PX -0.00000 -0.00000 0.07107 0.00000 0.00000 143 3PY 0.02745 0.04153 0.00000 -0.07783 -0.04799 144 3PZ 0.01908 0.02975 0.00000 -0.05810 -0.02568 145 4S -0.01884 -0.01620 -0.00000 0.02719 0.00652 146 4PX -0.00000 -0.00000 0.05818 0.00000 0.00000 147 4PY 0.02017 0.02625 0.00000 -0.04518 -0.02131 148 4PZ 0.01962 0.02714 0.00000 -0.04045 -0.02337 149 5S 0.01551 0.02049 0.00000 -0.01549 -0.02039 150 5PX 0.00000 0.00000 -0.00206 0.00000 -0.00000 151 5PY -0.00629 -0.00569 0.00000 -0.00042 0.00708 152 5PZ -0.00392 -0.00358 0.00000 -0.00011 -0.01200 153 6D 0 -0.00017 -0.00027 -0.00000 0.00153 -0.00108 154 6D+1 0.00000 0.00000 -0.00194 -0.00000 -0.00000 155 6D-1 -0.00143 -0.00236 -0.00000 0.00488 0.00148 156 6D+2 0.00056 0.00102 0.00000 -0.00116 -0.00198 157 6D-2 0.00000 0.00000 -0.00178 0.00000 -0.00000 158 7D 0 -0.00041 -0.00105 -0.00000 0.00579 -0.00256 159 7D+1 0.00000 0.00000 -0.00746 -0.00000 0.00000 160 7D-1 -0.00572 -0.00681 -0.00000 0.00825 0.00051 161 7D+2 0.00393 0.00407 0.00000 0.00168 -0.00277 162 7D-2 0.00000 0.00000 -0.00700 0.00000 -0.00000 163 7 H 1S -0.00344 -0.00543 -0.00000 0.01026 0.00529 164 2S -0.00487 -0.00685 -0.00000 0.01601 0.01133 165 3S 0.00003 -0.00316 -0.00000 0.01663 0.00953 166 4PX -0.00000 -0.00000 -0.00101 0.00000 0.00000 167 4PY 0.00048 0.00037 0.00000 -0.00002 -0.00089 168 4PZ 0.00017 0.00018 0.00000 -0.00058 -0.00030 169 8 H 1S -0.00063 -0.00105 -0.00000 0.00077 -0.00075 170 2S -0.00214 -0.00301 -0.00000 0.00143 0.00227 171 3S -0.00243 -0.00246 0.00000 -0.00016 0.00107 172 4PX -0.00000 -0.00000 -0.00269 0.00000 0.00000 173 4PY 0.00023 0.00023 0.00000 -0.00008 -0.00060 174 4PZ -0.00003 0.00002 0.00000 -0.00037 -0.00027 175 9 H 1S -0.00246 -0.00400 0.00000 -0.00034 -0.00957 176 2S -0.00349 -0.00520 0.00000 -0.00251 -0.01554 177 3S -0.00249 -0.00424 0.00000 -0.00060 -0.01602 178 4PX -0.00000 -0.00000 -0.00015 -0.00000 0.00000 179 4PY 0.00032 0.00014 -0.00000 0.00055 -0.00048 180 4PZ -0.00021 -0.00015 0.00000 -0.00040 -0.00014 181 10 H 1S 0.00428 0.00726 -0.00000 0.00428 0.01114 182 2S 0.00553 0.01039 -0.00000 0.01019 0.02065 183 3S 0.00277 0.00410 -0.00000 0.01428 0.01841 184 4PX -0.00000 -0.00000 0.00381 -0.00000 -0.00000 185 4PY 0.00048 0.00090 -0.00000 0.00018 0.00115 186 4PZ -0.00123 -0.00133 -0.00000 0.00003 -0.00246 187 11 H 1S -0.02115 -0.03327 0.00000 -0.06316 0.04283 188 2S -0.03281 -0.04869 0.00000 -0.09297 0.06453 189 3S 0.00048 0.00009 0.00000 -0.03149 0.02898 190 4PX 0.00000 0.00000 0.00519 0.00000 -0.00000 191 4PY -0.00526 -0.00700 0.00000 -0.00618 0.00575 192 4PZ 0.00351 0.00482 -0.00000 0.00602 -0.00039 6 7 8 9 10 6 3S 0.44487 7 3PX -0.00000 0.15487 8 3PY 0.00374 -0.00000 0.16711 9 3PZ -0.01223 -0.00000 -0.00045 0.18155 10 4S 0.19700 0.00000 -0.03544 0.01130 0.11540 11 4PX 0.00000 0.11929 -0.00000 -0.00000 0.00000 12 4PY -0.02736 -0.00000 0.07249 -0.01085 -0.02193 13 4PZ -0.00003 -0.00000 0.00007 0.07493 0.00655 14 5S 0.13476 -0.00000 0.03600 -0.01520 0.07503 15 5PX 0.00000 0.02311 -0.00000 -0.00000 0.00000 16 5PY -0.01591 -0.00000 0.01031 0.00777 -0.00998 17 5PZ -0.02747 0.00000 -0.00729 0.01785 -0.01540 18 6D 0 0.00566 0.00000 -0.00169 -0.00914 0.00114 19 6D+1 0.00000 -0.00159 -0.00000 -0.00000 0.00000 20 6D-1 0.00143 -0.00000 0.00913 0.00045 -0.00246 21 6D+2 -0.00855 -0.00000 -0.00283 -0.00541 -0.00361 22 6D-2 -0.00000 0.00368 -0.00000 -0.00000 -0.00000 23 7D 0 -0.00073 0.00000 -0.00121 -0.00543 -0.00198 24 7D+1 -0.00000 -0.00382 -0.00000 -0.00000 0.00000 25 7D-1 0.00477 -0.00000 0.00634 0.00223 -0.00097 26 7D+2 0.00076 0.00000 -0.00342 -0.00349 0.00022 27 7D-2 0.00000 0.00362 -0.00000 -0.00000 -0.00000 28 2 C 1S -0.02000 -0.00000 0.00103 0.03128 -0.00236 29 2S -0.03103 -0.00000 0.00115 0.04709 -0.00567 30 2PX -0.00000 0.06932 -0.00000 -0.00000 0.00000 31 2PY 0.00512 -0.00000 0.00612 -0.00213 -0.00415 32 2PZ 0.09007 -0.00000 -0.00414 -0.10006 0.02938 33 3S 0.07847 -0.00000 -0.00107 -0.12230 0.01909 34 3PX -0.00000 0.10677 -0.00000 -0.00000 0.00000 35 3PY 0.00776 -0.00000 0.01053 -0.00268 -0.00604 36 3PZ 0.12502 -0.00000 -0.00518 -0.14087 0.04034 37 4S 0.04209 -0.00000 0.01884 -0.06716 -0.00561 38 4PX -0.00000 0.08501 -0.00000 -0.00000 -0.00000 39 4PY 0.02259 -0.00000 0.01184 0.00734 0.00160 40 4PZ 0.05559 -0.00000 0.00472 -0.07797 0.01009 41 5S -0.11624 -0.00000 0.01914 0.01873 -0.07926 42 5PX -0.00000 0.00554 -0.00000 0.00000 -0.00000 43 5PY 0.00688 -0.00000 0.00845 -0.00452 0.00012 44 5PZ -0.05018 0.00000 -0.01029 0.01975 -0.02717 45 6D 0 0.00942 -0.00000 -0.00041 -0.00815 0.00369 46 6D+1 0.00000 0.00453 -0.00000 -0.00000 0.00000 47 6D-1 0.00066 -0.00000 0.00429 -0.00144 -0.00029 48 6D+2 0.00185 -0.00000 -0.00033 -0.00167 0.00088 49 6D-2 0.00000 0.00073 -0.00000 -0.00000 0.00000 50 7D 0 0.00936 -0.00000 -0.00016 -0.00322 0.00446 51 7D+1 0.00000 0.01215 -0.00000 -0.00000 0.00000 52 7D-1 -0.00068 -0.00000 0.01109 -0.00116 -0.00310 53 7D+2 -0.00051 -0.00000 0.00126 -0.00159 -0.00017 54 7D-2 0.00000 -0.00144 0.00000 -0.00000 0.00000 55 3 C 1S 0.00422 -0.00000 0.00146 -0.00406 0.00920 56 2S 0.00764 -0.00000 0.00254 -0.00809 0.00987 57 2PX -0.00000 0.00144 -0.00000 0.00000 -0.00000 58 2PY 0.01219 -0.00000 0.00263 -0.01138 0.00416 59 2PZ -0.01482 0.00000 -0.00164 0.01243 -0.01233 60 3S -0.02600 0.00000 -0.00754 0.02933 -0.01437 61 3PX -0.00000 0.00293 -0.00000 0.00000 -0.00000 62 3PY 0.01705 -0.00000 0.00212 -0.01683 0.00592 63 3PZ -0.02177 0.00000 -0.00309 0.01674 -0.01745 64 4S -0.03418 0.00000 -0.02225 0.00889 -0.00510 65 4PX -0.00000 -0.00477 -0.00000 0.00000 -0.00000 66 4PY 0.00643 -0.00000 0.00767 -0.00537 0.00128 67 4PZ -0.02291 0.00000 -0.01150 0.01374 -0.00581 68 5S 0.06344 0.00000 -0.05460 -0.03051 0.04436 69 5PX -0.00000 0.00370 -0.00000 0.00000 -0.00000 70 5PY 0.02618 -0.00000 0.00808 -0.02399 0.00833 71 5PZ 0.02203 0.00000 -0.00850 -0.00662 0.01643 72 6D 0 0.00234 -0.00000 0.00007 -0.00320 0.00073 73 6D+1 0.00000 0.00084 0.00000 -0.00000 0.00000 74 6D-1 -0.00099 0.00000 -0.00073 0.00154 -0.00020 75 6D+2 0.00185 0.00000 -0.00005 -0.00207 0.00085 76 6D-2 0.00000 -0.00435 0.00000 -0.00000 0.00000 77 7D 0 0.00884 -0.00000 0.00184 -0.00657 0.00252 78 7D+1 0.00000 0.00218 -0.00000 -0.00000 0.00000 79 7D-1 -0.00377 0.00000 0.00088 0.00581 -0.00135 80 7D+2 0.00456 0.00000 -0.00028 -0.00234 0.00141 81 7D-2 0.00000 -0.01362 0.00000 -0.00000 0.00000 82 4 C 1S 0.00427 -0.00000 0.00349 -0.00068 0.00416 83 2S 0.00801 -0.00000 0.00594 -0.00188 0.00542 84 2PX -0.00000 -0.04243 0.00000 0.00000 -0.00000 85 2PY 0.00908 0.00000 0.00393 -0.00834 0.00887 86 2PZ -0.00868 0.00000 -0.00979 -0.00464 -0.00579 87 3S -0.02508 0.00000 -0.01788 0.00883 -0.01088 88 3PX -0.00000 -0.06428 -0.00000 0.00000 -0.00000 89 3PY 0.01543 -0.00000 0.00778 -0.01252 0.01336 90 3PZ -0.01235 0.00000 -0.01294 -0.00392 -0.00830 91 4S 0.00956 -0.00000 0.00097 -0.00240 -0.01031 92 4PX -0.00000 -0.06103 0.00000 0.00000 -0.00000 93 4PY 0.00044 0.00000 -0.00212 -0.01094 0.00759 94 4PZ -0.00252 0.00000 -0.00678 -0.00806 -0.00815 95 5S -0.13835 0.00000 -0.00396 0.07717 -0.08078 96 5PX -0.00000 -0.02546 0.00000 0.00000 -0.00000 97 5PY 0.01822 0.00000 -0.00660 -0.01197 0.00947 98 5PZ -0.00865 0.00000 -0.00526 -0.00441 -0.01163 99 6D 0 -0.00014 0.00000 -0.00048 -0.00036 0.00011 100 6D+1 -0.00000 -0.00070 -0.00000 -0.00000 0.00000 101 6D-1 0.00004 0.00000 0.00016 0.00033 -0.00017 102 6D+2 0.00026 0.00000 -0.00008 -0.00048 0.00018 103 6D-2 0.00000 -0.00002 -0.00000 -0.00000 0.00000 104 7D 0 0.00479 -0.00000 0.00149 -0.00150 0.00220 105 7D+1 -0.00000 -0.00072 -0.00000 -0.00000 -0.00000 106 7D-1 0.00743 -0.00000 0.00401 0.00279 0.00416 107 7D+2 0.00108 0.00000 -0.00056 0.00029 0.00096 108 7D-2 0.00000 -0.00260 0.00000 -0.00000 0.00000 109 5 C 1S 0.00428 -0.00000 0.00483 0.00065 0.01779 110 2S 0.00772 -0.00000 0.00847 0.00083 0.01668 111 2PX -0.00000 -0.01169 -0.00000 -0.00000 -0.00000 112 2PY 0.02077 -0.00000 0.01648 0.00471 0.01830 113 2PZ -0.00178 0.00000 -0.00360 -0.00201 -0.00153 114 3S -0.02647 0.00000 -0.02779 -0.00020 -0.01045 115 3PX -0.00000 -0.01866 -0.00000 0.00000 -0.00000 116 3PY 0.02779 -0.00000 0.02003 0.00356 0.02336 117 3PZ -0.00020 0.00000 -0.00356 -0.00417 -0.00076 118 4S -0.01045 0.00000 -0.02336 -0.00076 0.01817 119 4PX -0.00000 -0.02740 -0.00000 0.00000 -0.00000 120 4PY 0.01443 -0.00000 0.01825 0.00135 0.00229 121 4PZ 0.01696 -0.00000 0.00691 -0.00101 0.00623 122 5S 0.07537 -0.00000 0.00586 -0.03865 0.05026 123 5PX 0.00000 0.00354 -0.00000 -0.00000 0.00000 124 5PY -0.00417 -0.00000 0.00986 0.00842 -0.00028 125 5PZ -0.01958 0.00000 -0.00817 0.00759 -0.01293 126 6D 0 -0.00353 0.00000 -0.00394 -0.00146 -0.00194 127 6D+1 -0.00000 0.00374 -0.00000 -0.00000 -0.00000 128 6D-1 0.00329 -0.00000 0.00285 0.00167 0.00306 129 6D+2 -0.00133 0.00000 -0.00234 -0.00077 0.00001 130 6D-2 -0.00000 -0.00354 -0.00000 -0.00000 -0.00000 131 7D 0 -0.01106 0.00000 -0.00986 -0.00608 -0.00547 132 7D+1 -0.00000 0.00955 -0.00000 -0.00000 -0.00000 133 7D-1 0.01200 -0.00000 0.00655 0.00348 0.00716 134 7D+2 -0.00749 0.00000 -0.00729 -0.00103 -0.00275 135 7D-2 -0.00000 -0.00847 -0.00000 -0.00000 -0.00000 136 6 N 1S -0.01247 0.00000 -0.01804 -0.01095 0.04028 137 2S -0.01910 0.00000 -0.02843 -0.01692 0.04691 138 2PX 0.00000 0.07064 0.00000 0.00000 0.00000 139 2PY -0.07714 0.00000 -0.07291 -0.04655 -0.02906 140 2PZ -0.05837 0.00000 -0.06039 -0.02781 -0.03646 141 3S 0.04590 -0.00000 0.07980 0.04686 -0.07946 142 3PX 0.00000 0.10740 0.00000 0.00000 0.00000 143 3PY -0.11116 0.00000 -0.10614 -0.06712 -0.04181 144 3PZ -0.08546 0.00000 -0.08932 -0.04050 -0.05201 145 4S -0.00459 -0.00000 0.02815 0.00441 -0.09687 146 4PX 0.00000 0.08788 0.00000 0.00000 0.00000 147 4PY -0.05670 0.00000 -0.06149 -0.02983 -0.02003 148 4PZ -0.06721 0.00000 -0.06361 -0.03639 -0.04772 149 5S -0.04592 0.00000 -0.02552 -0.03008 -0.03112 150 5PX -0.00000 -0.00330 0.00000 -0.00000 -0.00000 151 5PY 0.00254 0.00000 -0.00052 0.00996 0.00234 152 5PZ 0.00136 0.00000 -0.00125 -0.01706 -0.00513 153 6D 0 0.00085 -0.00000 0.00222 -0.00139 0.00044 154 6D+1 -0.00000 -0.00295 -0.00000 -0.00000 -0.00000 155 6D-1 0.00703 -0.00000 0.00667 0.00205 0.00243 156 6D+2 -0.00319 0.00000 -0.00176 -0.00278 -0.00082 157 6D-2 -0.00000 -0.00273 0.00000 -0.00000 -0.00000 158 7D 0 0.00454 -0.00000 0.00854 -0.00313 0.00247 159 7D+1 -0.00000 -0.01130 -0.00000 0.00000 -0.00000 160 7D-1 0.01236 -0.00000 0.01125 0.00064 0.00415 161 7D+2 -0.00455 0.00000 0.00232 -0.00371 -0.00149 162 7D-2 0.00000 -0.01075 0.00000 -0.00000 0.00000 163 7 H 1S 0.01646 -0.00000 0.01446 0.00711 0.01438 164 2S 0.01868 -0.00000 0.02264 0.01553 0.01989 165 3S 0.02033 -0.00000 0.02396 0.01351 0.01582 166 4PX -0.00000 -0.00159 0.00000 0.00000 0.00000 167 4PY 0.00006 0.00000 -0.00008 -0.00121 -0.00061 168 4PZ -0.00030 0.00000 -0.00074 -0.00043 -0.00089 169 8 H 1S 0.00395 -0.00000 0.00262 -0.00155 0.00601 170 2S 0.00856 -0.00000 0.00476 0.00245 0.01059 171 3S 0.00300 -0.00000 0.00167 0.00140 0.00301 172 4PX 0.00000 -0.00408 0.00000 0.00000 0.00000 173 4PY -0.00035 0.00000 -0.00024 -0.00076 -0.00079 174 4PZ -0.00030 0.00000 -0.00050 -0.00039 0.00004 175 9 H 1S 0.01169 0.00000 -0.00027 -0.01269 0.00779 176 2S 0.01387 0.00000 -0.00331 -0.02081 0.01076 177 3S 0.01288 0.00000 -0.00092 -0.02211 0.00644 178 4PX -0.00000 -0.00014 -0.00000 0.00000 -0.00000 179 4PY 0.00082 -0.00000 0.00069 -0.00067 0.00020 180 4PZ -0.00011 0.00000 -0.00055 -0.00011 0.00051 181 10 H 1S -0.02342 -0.00000 0.00568 0.01697 -0.00615 182 2S -0.03616 -0.00000 0.01397 0.03104 -0.00983 183 3S -0.01040 -0.00000 0.01981 0.02676 -0.00365 184 4PX 0.00000 0.00590 -0.00000 -0.00000 0.00000 185 4PY -0.00324 -0.00000 0.00026 0.00176 -0.00090 186 4PZ 0.00166 -0.00000 -0.00005 -0.00342 0.00050 187 11 H 1S 0.08928 0.00000 -0.08350 0.05836 0.06633 188 2S 0.12202 0.00000 -0.12276 0.08805 0.09463 189 3S 0.00130 0.00000 -0.04084 0.04064 0.01918 190 4PX -0.00000 0.00794 0.00000 -0.00000 -0.00000 191 4PY 0.01512 0.00000 -0.00809 0.00781 0.00933 192 4PZ -0.01087 -0.00000 0.00802 -0.00034 -0.00695 11 12 13 14 15 11 4PX 0.09333 12 4PY -0.00000 0.03792 13 4PZ -0.00000 -0.00533 0.03327 14 5S -0.00000 0.01229 0.00502 0.16076 15 5PX 0.01745 -0.00000 -0.00000 0.00000 0.00382 16 5PY -0.00000 0.00498 0.00262 -0.00316 -0.00000 17 5PZ -0.00000 -0.00353 0.00432 -0.03857 -0.00000 18 6D 0 0.00000 -0.00067 -0.00416 -0.00108 0.00000 19 6D+1 -0.00133 -0.00000 0.00000 0.00000 0.00002 20 6D-1 -0.00000 0.00387 -0.00023 -0.00242 -0.00000 21 6D+2 -0.00000 -0.00016 -0.00265 -0.00392 -0.00000 22 6D-2 0.00258 -0.00000 -0.00000 -0.00000 0.00076 23 7D 0 0.00000 -0.00012 -0.00354 -0.00657 -0.00000 24 7D+1 -0.00311 -0.00000 0.00000 0.00000 0.00015 25 7D-1 -0.00000 0.00275 -0.00045 -0.00991 -0.00000 26 7D+2 -0.00000 -0.00132 -0.00245 -0.00491 -0.00000 27 7D-2 0.00228 -0.00000 -0.00000 -0.00000 0.00105 28 2 C 1S -0.00000 0.00292 0.01022 -0.04964 0.00000 29 2S -0.00000 0.00169 0.01627 -0.05370 0.00000 30 2PX 0.05318 -0.00000 -0.00000 -0.00000 0.00717 31 2PY -0.00000 -0.00635 0.00015 0.03145 -0.00000 32 2PZ -0.00000 -0.00272 -0.04237 0.01056 0.00000 33 3S -0.00000 0.00475 -0.04527 0.07067 -0.00000 34 3PX 0.08182 0.00000 -0.00000 -0.00000 0.01108 35 3PY 0.00000 -0.00773 0.00030 0.04355 -0.00000 36 3PZ -0.00000 -0.00333 -0.05957 0.01419 0.00000 37 4S -0.00000 0.00670 -0.02325 0.03214 -0.00000 38 4PX 0.06611 -0.00000 -0.00000 -0.00000 0.00848 39 4PY -0.00000 -0.00481 0.00453 0.02638 -0.00000 40 4PZ -0.00000 0.00038 -0.03351 0.00104 0.00000 41 5S -0.00000 0.00995 -0.00641 -0.16119 -0.00000 42 5PX 0.00602 -0.00000 0.00000 0.00000 -0.00041 43 5PY -0.00000 0.00264 -0.00277 -0.00416 0.00000 44 5PZ 0.00000 -0.00471 0.00479 -0.04877 -0.00000 45 6D 0 -0.00000 -0.00024 -0.00349 0.00300 0.00000 46 6D+1 0.00359 -0.00000 -0.00000 0.00000 0.00072 47 6D-1 -0.00000 0.00256 -0.00051 -0.00059 -0.00000 48 6D+2 -0.00000 -0.00017 -0.00099 -0.00111 0.00000 49 6D-2 0.00035 -0.00000 -0.00000 0.00000 -0.00000 50 7D 0 -0.00000 -0.00045 -0.00131 0.00577 -0.00000 51 7D+1 0.00968 -0.00000 -0.00000 0.00000 0.00206 52 7D-1 -0.00000 0.00515 -0.00082 -0.00168 -0.00000 53 7D+2 0.00000 0.00101 -0.00098 0.00024 0.00000 54 7D-2 -0.00177 0.00000 -0.00000 0.00000 -0.00037 55 3 C 1S -0.00000 0.00487 -0.00179 -0.00424 0.00000 56 2S -0.00000 0.00608 -0.00381 -0.00419 0.00000 57 2PX -0.00364 -0.00000 0.00000 0.00000 -0.00233 58 2PY -0.00000 0.00426 -0.00400 -0.03685 0.00000 59 2PZ 0.00000 -0.00439 0.01147 0.00838 -0.00000 60 3S 0.00000 -0.01205 0.01428 0.00153 -0.00000 61 3PX -0.00513 -0.00000 0.00000 0.00000 -0.00345 62 3PY -0.00000 0.00530 -0.00586 -0.05239 0.00000 63 3PZ 0.00000 -0.00640 0.01545 0.01073 -0.00000 64 4S 0.00000 -0.00755 0.00014 -0.01852 -0.00000 65 4PX -0.00874 -0.00000 0.00000 0.00000 -0.00406 66 4PY -0.00000 0.00614 -0.00169 -0.02502 0.00000 67 4PZ 0.00000 -0.00374 0.00832 -0.00284 0.00000 68 5S 0.00000 -0.02361 -0.00991 0.03989 0.00000 69 5PX 0.00172 -0.00000 0.00000 -0.00000 0.00029 70 5PY -0.00000 0.00366 -0.01077 0.00382 0.00000 71 5PZ 0.00000 -0.00272 -0.00064 0.02296 0.00000 72 6D 0 -0.00000 -0.00007 -0.00150 0.00106 -0.00000 73 6D+1 0.00038 -0.00000 -0.00000 0.00000 0.00006 74 6D-1 0.00000 -0.00009 0.00081 -0.00330 0.00000 75 6D+2 0.00000 0.00014 -0.00110 -0.00003 0.00000 76 6D-2 -0.00368 0.00000 -0.00000 0.00000 -0.00049 77 7D 0 -0.00000 0.00013 -0.00198 0.00739 -0.00000 78 7D+1 0.00123 -0.00000 -0.00000 0.00000 0.00029 79 7D-1 0.00000 0.00054 0.00257 -0.00156 -0.00000 80 7D+2 0.00000 -0.00071 -0.00074 0.00225 0.00000 81 7D-2 -0.01152 0.00000 0.00000 0.00000 -0.00154 82 4 C 1S -0.00000 0.00446 -0.00068 -0.00155 -0.00000 83 2S -0.00000 0.00513 -0.00176 -0.00264 -0.00000 84 2PX -0.04128 0.00000 0.00000 -0.00000 -0.00543 85 2PY 0.00000 0.00365 -0.00924 0.01372 0.00000 86 2PZ 0.00000 -0.00539 -0.00020 0.03161 -0.00000 87 3S 0.00000 -0.00839 0.00732 0.00607 -0.00000 88 3PX -0.06278 -0.00000 0.00000 -0.00000 -0.00821 89 3PY -0.00000 0.00621 -0.01323 0.02051 0.00000 90 3PZ 0.00000 -0.00744 0.00078 0.04444 -0.00000 91 4S 0.00000 -0.00677 0.00191 0.00677 -0.00000 92 4PX -0.05735 0.00000 0.00000 -0.00000 -0.00798 93 4PY 0.00000 0.00279 -0.01004 0.00636 0.00000 94 4PZ 0.00000 -0.00601 -0.00266 0.01509 -0.00000 95 5S 0.00000 -0.00471 0.01901 -0.14139 -0.00000 96 5PX -0.02018 0.00000 0.00000 -0.00000 -0.00390 97 5PY 0.00000 -0.00323 -0.00530 0.00383 0.00000 98 5PZ 0.00000 -0.00398 -0.00635 -0.03713 -0.00000 99 6D 0 0.00000 -0.00009 -0.00003 0.00228 -0.00000 100 6D+1 -0.00083 -0.00000 0.00000 0.00000 0.00013 101 6D-1 -0.00000 0.00022 0.00013 -0.00289 -0.00000 102 6D+2 -0.00000 0.00010 -0.00036 0.00024 -0.00000 103 6D-2 0.00025 -0.00000 -0.00000 0.00000 0.00008 104 7D 0 -0.00000 0.00069 -0.00046 0.00289 0.00000 105 7D+1 -0.00119 -0.00000 -0.00000 -0.00000 0.00061 106 7D-1 -0.00000 0.00205 0.00082 0.00145 -0.00000 107 7D+2 0.00000 0.00001 -0.00012 -0.00151 0.00000 108 7D-2 -0.00165 0.00000 -0.00000 0.00000 -0.00009 109 5 C 1S -0.00000 0.00805 -0.01117 -0.04488 -0.00000 110 2S -0.00000 0.00909 -0.01204 -0.04985 -0.00000 111 2PX -0.01749 -0.00000 0.00000 0.00000 0.00242 112 2PY -0.00000 0.01445 -0.00383 -0.00143 -0.00000 113 2PZ 0.00000 -0.00149 -0.00038 -0.02936 0.00000 114 3S 0.00000 -0.01443 0.01696 0.07537 -0.00000 115 3PX -0.02740 -0.00000 0.00000 0.00000 0.00354 116 3PY -0.00000 0.01825 -0.00691 -0.00586 -0.00000 117 3PZ 0.00000 -0.00135 -0.00101 -0.03865 0.00000 118 4S 0.00000 -0.00229 0.00623 0.05026 -0.00000 119 4PX -0.03068 -0.00000 0.00000 0.00000 0.00091 120 4PY -0.00000 0.00916 -0.00153 -0.00508 -0.00000 121 4PZ 0.00000 0.00153 0.00126 -0.00115 0.00000 122 5S -0.00000 0.00508 -0.00115 0.11438 0.00000 123 5PX 0.00091 -0.00000 -0.00000 -0.00000 0.00161 124 5PY -0.00000 0.00545 0.00378 0.00969 -0.00000 125 5PZ 0.00000 -0.00449 -0.00019 -0.03493 -0.00000 126 6D 0 -0.00000 -0.00172 -0.00076 -0.00178 -0.00000 127 6D+1 0.00318 -0.00000 -0.00000 -0.00000 0.00063 128 6D-1 -0.00000 0.00198 0.00069 0.00307 -0.00000 129 6D+2 0.00000 -0.00066 -0.00092 -0.00241 0.00000 130 6D-2 -0.00246 -0.00000 -0.00000 -0.00000 -0.00075 131 7D 0 -0.00000 -0.00378 -0.00329 -0.01019 -0.00000 132 7D+1 0.00819 -0.00000 -0.00000 -0.00000 0.00166 133 7D-1 -0.00000 0.00297 0.00231 0.00976 0.00000 134 7D+2 0.00000 -0.00269 -0.00097 -0.00668 0.00000 135 7D-2 -0.00638 -0.00000 -0.00000 -0.00000 -0.00160 136 6 N 1S -0.00000 0.01236 -0.00889 0.03010 -0.00000 137 2S -0.00000 0.01115 -0.01032 0.04496 0.00000 138 2PX 0.04973 0.00000 0.00000 0.00000 0.01500 139 2PY 0.00000 -0.02900 -0.01459 -0.02281 0.00000 140 2PZ 0.00000 -0.02475 -0.02240 -0.10075 -0.00000 141 3S 0.00000 -0.00349 0.01705 -0.11908 -0.00000 142 3PX 0.07559 0.00000 0.00000 0.00000 0.02279 143 3PY 0.00000 -0.04229 -0.02095 -0.03325 0.00000 144 3PZ 0.00000 -0.03622 -0.03258 -0.14571 -0.00000 145 4S 0.00000 -0.01933 -0.00628 -0.15844 -0.00000 146 4PX 0.06202 0.00000 -0.00000 0.00000 0.01875 147 4PY 0.00000 -0.02561 -0.00854 -0.01695 0.00000 148 4PZ 0.00000 -0.02702 -0.02806 -0.12229 -0.00000 149 5S 0.00000 -0.00880 -0.02042 -0.06617 -0.00000 150 5PX -0.00143 0.00000 -0.00000 -0.00000 -0.00019 151 5PY 0.00000 -0.00111 0.00393 0.00314 -0.00000 152 5PZ 0.00000 -0.00121 -0.00745 -0.00271 -0.00000 153 6D 0 -0.00000 0.00111 -0.00026 0.00348 0.00000 154 6D+1 -0.00203 -0.00000 0.00000 -0.00000 -0.00060 155 6D-1 -0.00000 0.00276 0.00042 0.00192 -0.00000 156 6D+2 0.00000 -0.00013 -0.00143 -0.00108 0.00000 157 6D-2 -0.00231 0.00000 -0.00000 0.00000 -0.00031 158 7D 0 -0.00000 0.00408 -0.00012 0.01297 0.00000 159 7D+1 -0.00778 -0.00000 0.00000 -0.00000 -0.00230 160 7D-1 -0.00000 0.00486 -0.00049 0.00268 0.00000 161 7D+2 0.00000 0.00204 -0.00167 0.00136 0.00000 162 7D-2 -0.00909 0.00000 0.00000 0.00000 -0.00121 163 7 H 1S -0.00000 0.01086 0.00395 0.01235 -0.00000 164 2S -0.00000 0.01732 0.00756 0.01477 -0.00000 165 3S -0.00000 0.01373 0.00617 0.01255 -0.00000 166 4PX -0.00188 0.00000 0.00000 0.00000 0.00009 167 4PY 0.00000 -0.00042 -0.00078 -0.00060 0.00000 168 4PZ 0.00000 -0.00085 -0.00023 -0.00187 0.00000 169 8 H 1S -0.00000 0.00210 -0.00391 0.00426 0.00000 170 2S -0.00000 0.00280 -0.00339 0.00877 0.00000 171 3S 0.00000 -0.00055 0.00048 0.01121 0.00000 172 4PX -0.00387 0.00000 0.00000 -0.00000 -0.00053 173 4PY 0.00000 -0.00026 0.00003 0.00045 -0.00000 174 4PZ 0.00000 -0.00020 -0.00045 0.00090 0.00000 175 9 H 1S -0.00000 0.00074 -0.00991 -0.00328 -0.00000 176 2S -0.00000 0.00053 -0.01623 -0.00903 -0.00000 177 3S -0.00000 0.00135 -0.01190 0.00149 0.00000 178 4PX -0.00048 -0.00000 0.00000 0.00000 -0.00025 179 4PY -0.00000 0.00047 -0.00026 -0.00156 0.00000 180 4PZ 0.00000 -0.00020 -0.00071 -0.00134 -0.00000 181 10 H 1S -0.00000 0.01073 0.00850 -0.00956 -0.00000 182 2S -0.00000 0.01817 0.01537 -0.01322 -0.00000 183 3S -0.00000 0.01145 0.01258 -0.00493 -0.00000 184 4PX 0.00457 -0.00000 -0.00000 -0.00000 0.00059 185 4PY -0.00000 0.00109 0.00097 0.00015 -0.00000 186 4PZ -0.00000 0.00065 -0.00141 -0.00071 -0.00000 187 11 H 1S 0.00000 -0.04624 0.02665 0.01876 0.00000 188 2S 0.00000 -0.06726 0.03966 0.02446 0.00000 189 3S 0.00000 -0.02013 0.01964 0.01377 0.00000 190 4PX 0.00618 0.00000 -0.00000 -0.00000 0.00116 191 4PY 0.00000 -0.00505 0.00338 0.00242 0.00000 192 4PZ -0.00000 0.00419 -0.00025 -0.00211 -0.00000 16 17 18 19 20 16 5PY 0.00356 17 5PZ 0.00231 0.01119 18 6D 0 -0.00014 -0.00008 0.00081 19 6D+1 -0.00000 -0.00000 -0.00000 0.00022 20 6D-1 0.00086 0.00086 0.00009 -0.00000 0.00088 21 6D+2 0.00016 0.00054 0.00033 -0.00000 -0.00012 22 6D-2 0.00000 0.00000 0.00000 0.00011 -0.00000 23 7D 0 0.00105 0.00191 0.00093 -0.00000 0.00038 24 7D+1 -0.00000 -0.00000 -0.00000 0.00063 -0.00000 25 7D-1 0.00084 0.00298 0.00036 -0.00000 0.00129 26 7D+2 0.00013 0.00124 0.00058 -0.00000 -0.00000 27 7D-2 0.00000 0.00000 0.00000 0.00032 0.00000 28 2 C 1S -0.00301 0.01048 -0.00247 -0.00000 -0.00012 29 2S -0.00368 0.01153 -0.00373 -0.00000 -0.00022 30 2PX -0.00000 0.00000 0.00000 -0.00343 0.00000 31 2PY 0.00146 -0.00635 0.00043 0.00000 -0.00365 32 2PZ -0.00962 -0.01079 0.00624 0.00000 0.00032 33 3S 0.00678 -0.01612 0.00965 0.00000 0.00061 34 3PX -0.00000 0.00000 0.00000 -0.00526 0.00000 35 3PY 0.00246 -0.00850 0.00068 0.00000 -0.00484 36 3PZ -0.01345 -0.01498 0.00874 0.00000 0.00054 37 4S 0.00523 -0.00746 0.00529 -0.00000 0.00232 38 4PX -0.00000 0.00000 0.00000 -0.00434 0.00000 39 4PY 0.00025 -0.00501 -0.00022 0.00000 -0.00216 40 4PZ -0.00542 -0.00638 0.00494 0.00000 0.00096 41 5S 0.00382 0.03973 0.00041 -0.00000 0.00536 42 5PX 0.00000 0.00000 -0.00000 -0.00086 -0.00000 43 5PY -0.00205 -0.00013 -0.00007 -0.00000 0.00027 44 5PZ 0.00341 0.01314 -0.00027 -0.00000 0.00086 45 6D 0 -0.00068 -0.00125 0.00051 -0.00000 0.00001 46 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 47 6D-1 -0.00008 -0.00010 -0.00002 -0.00000 0.00047 48 6D+2 -0.00050 -0.00006 0.00006 0.00000 0.00002 49 6D-2 -0.00000 -0.00000 0.00000 -0.00013 0.00000 50 7D 0 -0.00037 -0.00151 0.00013 -0.00000 -0.00004 51 7D+1 -0.00000 -0.00000 0.00000 0.00013 -0.00000 52 7D-1 0.00064 0.00039 0.00010 -0.00000 0.00082 53 7D+2 0.00006 -0.00008 0.00003 0.00000 0.00013 54 7D-2 -0.00000 -0.00000 0.00000 -0.00021 0.00000 55 3 C 1S -0.00222 0.00122 -0.00005 -0.00000 0.00060 56 2S -0.00326 0.00082 0.00007 -0.00000 0.00102 57 2PX 0.00000 -0.00000 -0.00000 -0.00282 -0.00000 58 2PY -0.00600 0.00403 0.00032 -0.00000 0.00235 59 2PZ 0.00180 0.00041 0.00012 0.00000 -0.00174 60 3S 0.00818 0.00181 -0.00070 0.00000 -0.00302 61 3PX 0.00000 -0.00000 -0.00000 -0.00433 -0.00000 62 3PY -0.00868 0.00565 0.00047 -0.00000 0.00321 63 3PZ 0.00263 0.00072 0.00022 0.00000 -0.00246 64 4S 0.00388 0.00501 0.00028 0.00000 -0.00188 65 4PX 0.00000 -0.00000 -0.00000 -0.00347 -0.00000 66 4PY -0.00287 0.00325 0.00018 -0.00000 0.00216 67 4PZ 0.00084 0.00272 -0.00014 0.00000 -0.00162 68 5S -0.00141 -0.00942 0.00391 0.00000 -0.00370 69 5PX 0.00000 0.00000 -0.00000 -0.00042 -0.00000 70 5PY -0.00200 -0.00205 0.00154 0.00000 0.00024 71 5PZ -0.00144 -0.00573 0.00037 0.00000 -0.00102 72 6D 0 -0.00005 -0.00055 0.00017 0.00000 0.00003 73 6D+1 0.00000 -0.00000 0.00000 -0.00010 -0.00000 74 6D-1 -0.00028 0.00055 -0.00011 -0.00000 0.00018 75 6D+2 -0.00026 -0.00019 0.00009 -0.00000 0.00008 76 6D-2 -0.00000 -0.00000 0.00000 0.00013 0.00000 77 7D 0 -0.00031 -0.00225 0.00031 0.00000 -0.00002 78 7D+1 -0.00000 -0.00000 0.00000 -0.00012 -0.00000 79 7D-1 0.00060 0.00068 -0.00030 -0.00000 0.00025 80 7D+2 -0.00021 -0.00070 0.00015 -0.00000 -0.00010 81 7D-2 -0.00000 -0.00000 0.00000 0.00042 -0.00000 82 4 C 1S 0.00200 0.00384 -0.00025 0.00000 -0.00022 83 2S 0.00132 0.00415 -0.00033 0.00000 -0.00028 84 2PX 0.00000 0.00000 -0.00000 0.00001 0.00000 85 2PY -0.00105 -0.00290 0.00031 0.00000 -0.00017 86 2PZ 0.00712 -0.00561 0.00101 0.00000 -0.00007 87 3S 0.00187 -0.00497 0.00065 -0.00000 0.00063 88 3PX 0.00000 0.00000 -0.00000 0.00000 0.00000 89 3PY -0.00123 -0.00428 0.00052 0.00000 -0.00008 90 3PZ 0.01005 -0.00775 0.00127 -0.00000 -0.00003 91 4S 0.00088 -0.00339 0.00108 -0.00000 0.00117 92 4PX 0.00000 0.00000 -0.00000 0.00015 0.00000 93 4PY -0.00078 -0.00170 0.00077 0.00000 -0.00037 94 4PZ 0.00501 -0.00262 0.00126 -0.00000 0.00039 95 5S 0.00992 0.04105 -0.00232 -0.00000 0.00367 96 5PX 0.00000 0.00000 -0.00000 0.00010 0.00000 97 5PY -0.00182 -0.00181 0.00106 0.00000 -0.00060 98 5PZ 0.00113 0.00997 0.00159 -0.00000 0.00066 99 6D 0 0.00038 -0.00058 0.00002 -0.00000 0.00009 100 6D+1 -0.00000 -0.00000 -0.00000 0.00016 -0.00000 101 6D-1 0.00022 0.00075 0.00011 -0.00000 0.00015 102 6D+2 0.00016 0.00003 0.00003 -0.00000 0.00006 103 6D-2 0.00000 -0.00000 0.00000 0.00011 0.00000 104 7D 0 -0.00028 -0.00108 -0.00004 -0.00000 0.00019 105 7D+1 -0.00000 -0.00000 0.00000 0.00053 -0.00000 106 7D-1 0.00043 0.00009 0.00006 -0.00000 0.00038 107 7D+2 -0.00037 0.00019 -0.00005 -0.00000 0.00015 108 7D-2 -0.00000 -0.00000 -0.00000 0.00033 0.00000 109 5 C 1S 0.00414 0.01635 0.00074 -0.00000 0.00066 110 2S 0.00268 0.01684 0.00118 -0.00000 0.00107 111 2PX -0.00000 -0.00000 -0.00000 0.00247 -0.00000 112 2PY 0.00710 0.00530 0.00257 -0.00000 0.00208 113 2PZ -0.00572 0.00603 -0.00101 0.00000 -0.00116 114 3S 0.00417 -0.01958 -0.00353 0.00000 -0.00329 115 3PX -0.00000 -0.00000 -0.00000 0.00374 -0.00000 116 3PY 0.00986 0.00817 0.00394 -0.00000 0.00285 117 3PZ -0.00842 0.00759 -0.00146 0.00000 -0.00167 118 4S 0.00028 -0.01293 -0.00194 0.00000 -0.00306 119 4PX -0.00000 -0.00000 -0.00000 0.00318 -0.00000 120 4PY 0.00545 0.00449 0.00172 -0.00000 0.00198 121 4PZ -0.00378 -0.00019 -0.00076 0.00000 -0.00069 122 5S -0.00969 -0.03493 -0.00178 0.00000 -0.00307 123 5PX -0.00000 0.00000 0.00000 0.00063 -0.00000 124 5PY 0.00221 -0.00104 -0.00059 -0.00000 0.00044 125 5PZ 0.00104 0.00959 0.00047 -0.00000 0.00036 126 6D 0 0.00059 0.00047 0.00030 -0.00000 -0.00003 127 6D+1 -0.00000 0.00000 0.00000 0.00006 -0.00000 128 6D-1 0.00044 -0.00036 0.00003 -0.00000 0.00012 129 6D+2 0.00024 0.00068 0.00028 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 -0.00011 0.00000 131 7D 0 0.00021 0.00202 0.00066 -0.00000 -0.00023 132 7D+1 -0.00000 0.00000 0.00000 0.00021 -0.00000 133 7D-1 0.00010 -0.00201 -0.00017 -0.00000 0.00013 134 7D+2 0.00041 0.00167 0.00031 0.00000 -0.00016 135 7D-2 0.00000 0.00000 0.00000 -0.00017 -0.00000 136 6 N 1S 0.00039 -0.00875 -0.00022 0.00000 -0.00270 137 2S -0.00132 -0.01331 -0.00036 0.00000 -0.00425 138 2PX 0.00000 -0.00000 0.00000 0.00239 0.00000 139 2PY -0.00855 -0.00242 -0.00021 0.00000 -0.00586 140 2PZ 0.00621 0.02608 0.00654 -0.00000 0.00059 141 3S 0.00988 0.03588 0.00087 -0.00000 0.01181 142 3PX 0.00000 -0.00000 0.00000 0.00363 0.00000 143 3PY -0.01247 -0.00349 -0.00031 0.00000 -0.00849 144 3PZ 0.00897 0.03773 0.00952 -0.00000 0.00069 145 4S 0.01251 0.04410 0.00598 -0.00000 0.01000 146 4PX 0.00000 -0.00000 0.00000 0.00307 0.00000 147 4PY -0.00690 -0.00177 -0.00041 0.00000 -0.00479 148 4PZ 0.00784 0.03138 0.00793 -0.00000 0.00147 149 5S 0.00365 0.01547 0.00424 -0.00000 0.00137 150 5PX -0.00000 -0.00000 0.00000 0.00044 -0.00000 151 5PY 0.00094 0.00040 -0.00034 -0.00000 0.00001 152 5PZ 0.00078 -0.00012 0.00149 -0.00000 0.00040 153 6D 0 -0.00015 -0.00107 -0.00008 0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00007 -0.00000 155 6D-1 0.00059 0.00007 0.00011 -0.00000 0.00049 156 6D+2 0.00007 0.00008 0.00022 0.00000 -0.00008 157 6D-2 0.00000 -0.00000 0.00000 0.00008 -0.00000 158 7D 0 -0.00070 -0.00388 -0.00047 0.00000 0.00002 159 7D+1 -0.00000 0.00000 -0.00000 -0.00028 -0.00000 160 7D-1 0.00076 0.00004 0.00030 -0.00000 0.00083 161 7D+2 -0.00007 -0.00082 0.00001 -0.00000 0.00004 162 7D-2 -0.00000 -0.00000 -0.00000 0.00033 0.00000 163 7 H 1S 0.00300 -0.00023 -0.00004 -0.00000 0.00047 164 2S 0.00448 0.00070 -0.00043 -0.00000 0.00084 165 3S 0.00036 -0.00140 -0.00095 -0.00000 0.00076 166 4PX 0.00000 0.00000 -0.00000 0.00020 -0.00000 167 4PY -0.00029 -0.00012 0.00008 -0.00000 0.00003 168 4PZ -0.00054 0.00019 -0.00004 0.00000 -0.00007 169 8 H 1S -0.00362 -0.00236 -0.00033 0.00000 -0.00045 170 2S -0.00596 -0.00389 -0.00098 0.00000 -0.00083 171 3S -0.00281 -0.00316 -0.00097 0.00000 -0.00120 172 4PX -0.00000 0.00000 -0.00000 0.00001 0.00000 173 4PY 0.00051 0.00011 0.00007 0.00000 -0.00000 174 4PZ 0.00001 -0.00027 0.00005 0.00000 -0.00001 175 9 H 1S 0.00014 -0.00133 0.00031 -0.00000 0.00081 176 2S 0.00009 -0.00109 0.00067 -0.00000 0.00117 177 3S -0.00087 -0.00249 0.00107 -0.00000 0.00072 178 4PX 0.00000 -0.00000 -0.00000 -0.00024 0.00000 179 4PY -0.00022 0.00017 0.00003 -0.00000 0.00014 180 4PZ 0.00017 0.00015 -0.00003 -0.00000 0.00003 181 10 H 1S 0.00447 0.00485 -0.00101 -0.00000 0.00310 182 2S 0.00654 0.00713 -0.00210 -0.00000 0.00478 183 3S 0.00194 0.00272 -0.00201 -0.00000 0.00233 184 4PX -0.00000 -0.00000 0.00000 -0.00030 -0.00000 185 4PY 0.00075 0.00043 -0.00008 -0.00000 0.00028 186 4PZ 0.00004 0.00006 0.00025 -0.00000 0.00028 187 11 H 1S -0.00733 -0.00004 -0.00175 0.00000 -0.00512 188 2S -0.01102 0.00057 -0.00293 0.00000 -0.00769 189 3S -0.00329 -0.00150 -0.00297 0.00000 -0.00387 190 4PX 0.00000 -0.00000 0.00000 -0.00009 0.00000 191 4PY -0.00083 0.00015 -0.00016 0.00000 -0.00041 192 4PZ 0.00098 0.00045 -0.00015 -0.00000 0.00045 21 22 23 24 25 21 6D+2 0.00048 22 6D-2 0.00000 0.00021 23 7D 0 0.00055 0.00000 0.00187 24 7D+1 -0.00000 0.00030 -0.00000 0.00176 25 7D-1 -0.00005 0.00000 0.00113 -0.00000 0.00281 26 7D+2 0.00039 0.00000 0.00107 -0.00000 0.00046 27 7D-2 0.00000 0.00038 0.00000 0.00090 0.00000 28 2 C 1S -0.00056 -0.00000 -0.00636 -0.00000 -0.00053 29 2S -0.00088 -0.00000 -0.00691 -0.00000 -0.00025 30 2PX -0.00000 -0.00004 0.00000 -0.00949 0.00000 31 2PY 0.00015 0.00000 0.00027 0.00000 -0.01003 32 2PZ 0.00174 0.00000 0.00331 0.00000 0.00147 33 3S 0.00249 0.00000 0.00939 0.00000 -0.00131 34 3PX -0.00000 -0.00003 0.00000 -0.01456 0.00000 35 3PY 0.00020 0.00000 0.00062 0.00000 -0.01355 36 3PZ 0.00243 0.00000 0.00455 0.00000 0.00218 37 4S 0.00083 0.00000 0.00504 -0.00000 0.00155 38 4PX 0.00000 -0.00025 0.00000 -0.01195 0.00000 39 4PY -0.00086 -0.00000 -0.00092 0.00000 -0.00673 40 4PZ 0.00157 0.00000 0.00325 0.00000 0.00180 41 5S 0.00238 0.00000 0.00576 -0.00000 0.01284 42 5PX 0.00000 -0.00061 0.00000 -0.00228 0.00000 43 5PY -0.00027 -0.00000 -0.00068 -0.00000 0.00030 44 5PZ 0.00103 0.00000 0.00225 -0.00000 0.00295 45 6D 0 0.00008 0.00000 0.00023 -0.00000 0.00007 46 6D+1 -0.00000 0.00013 0.00000 0.00004 -0.00000 47 6D-1 -0.00007 -0.00000 -0.00010 -0.00000 0.00078 48 6D+2 0.00003 0.00000 -0.00003 0.00000 0.00018 49 6D-2 0.00000 -0.00003 0.00000 -0.00039 0.00000 50 7D 0 -0.00015 -0.00000 -0.00022 -0.00000 -0.00013 51 7D+1 -0.00000 0.00041 -0.00000 0.00046 -0.00000 52 7D-1 -0.00002 0.00000 0.00040 -0.00000 0.00110 53 7D+2 0.00003 0.00000 0.00002 0.00000 0.00025 54 7D-2 0.00000 -0.00009 -0.00000 -0.00066 0.00000 55 3 C 1S 0.00009 0.00000 -0.00073 -0.00000 0.00464 56 2S 0.00005 0.00000 -0.00077 -0.00000 0.00553 57 2PX 0.00000 -0.00110 0.00000 -0.00844 -0.00000 58 2PY 0.00007 0.00000 -0.00082 -0.00000 0.00593 59 2PZ 0.00007 0.00000 0.00061 0.00000 -0.00471 60 3S 0.00013 -0.00000 0.00086 0.00000 -0.00979 61 3PX 0.00000 -0.00166 0.00000 -0.01297 -0.00000 62 3PY 0.00012 0.00000 -0.00124 -0.00000 0.00825 63 3PZ 0.00019 0.00000 0.00100 0.00000 -0.00657 64 4S 0.00153 0.00000 0.00254 0.00000 -0.00322 65 4PX 0.00000 -0.00166 -0.00000 -0.01037 -0.00000 66 4PY 0.00001 0.00000 -0.00028 -0.00000 0.00479 67 4PZ 0.00054 0.00000 0.00083 0.00000 -0.00267 68 5S 0.00167 0.00000 0.00376 0.00000 -0.00461 69 5PX -0.00000 -0.00000 -0.00000 -0.00127 0.00000 70 5PY 0.00021 0.00000 0.00084 -0.00000 0.00018 71 5PZ -0.00009 0.00000 -0.00049 0.00000 -0.00169 72 6D 0 0.00006 0.00000 0.00011 0.00000 0.00001 73 6D+1 0.00000 -0.00000 0.00000 -0.00030 -0.00000 74 6D-1 -0.00003 -0.00000 -0.00013 -0.00000 0.00052 75 6D+2 0.00003 0.00000 0.00003 -0.00000 0.00028 76 6D-2 0.00000 -0.00000 0.00000 0.00034 0.00000 77 7D 0 -0.00006 0.00000 -0.00009 0.00000 -0.00041 78 7D+1 0.00000 0.00005 0.00000 -0.00036 -0.00000 79 7D-1 -0.00010 -0.00000 -0.00006 -0.00000 0.00049 80 7D+2 -0.00000 0.00000 -0.00003 -0.00000 -0.00029 81 7D-2 -0.00000 -0.00001 -0.00000 0.00105 -0.00000 82 4 C 1S -0.00012 -0.00000 -0.00081 0.00000 -0.00038 83 2S -0.00025 -0.00000 -0.00113 0.00000 -0.00055 84 2PX 0.00000 -0.00013 0.00000 -0.00088 -0.00000 85 2PY 0.00002 0.00000 0.00044 -0.00000 0.00053 86 2PZ 0.00081 0.00000 0.00275 0.00000 -0.00070 87 3S 0.00084 0.00000 0.00266 -0.00000 0.00165 88 3PX 0.00000 -0.00017 0.00000 -0.00139 -0.00000 89 3PY -0.00000 0.00000 0.00071 -0.00000 0.00089 90 3PZ 0.00103 0.00000 0.00377 0.00000 -0.00085 91 4S -0.00026 0.00000 0.00155 -0.00000 0.00140 92 4PX -0.00000 -0.00037 -0.00000 -0.00070 -0.00000 93 4PY 0.00068 0.00000 0.00160 -0.00000 0.00058 94 4PZ 0.00066 0.00000 0.00269 -0.00000 0.00043 95 5S 0.00119 -0.00000 0.00541 -0.00000 0.01054 96 5PX 0.00000 -0.00063 -0.00000 0.00011 0.00000 97 5PY 0.00031 0.00000 0.00076 0.00000 -0.00066 98 5PZ 0.00100 0.00000 0.00348 -0.00000 0.00254 99 6D 0 0.00003 0.00000 0.00008 -0.00000 0.00014 100 6D+1 -0.00000 0.00012 -0.00000 0.00044 -0.00000 101 6D-1 0.00008 0.00000 0.00025 -0.00000 0.00031 102 6D+2 0.00002 0.00000 0.00006 -0.00000 0.00017 103 6D-2 0.00000 0.00003 0.00000 0.00033 0.00000 104 7D 0 -0.00013 -0.00000 -0.00034 -0.00000 0.00026 105 7D+1 -0.00000 0.00040 0.00000 0.00145 -0.00000 106 7D-1 -0.00012 -0.00000 0.00028 -0.00000 0.00062 107 7D+2 -0.00004 -0.00000 -0.00009 -0.00000 0.00052 108 7D-2 -0.00000 0.00008 -0.00000 0.00097 0.00000 109 5 C 1S 0.00050 0.00000 0.00405 -0.00000 0.00208 110 2S 0.00063 0.00000 0.00519 -0.00000 0.00372 111 2PX -0.00000 0.00234 -0.00000 0.00632 -0.00000 112 2PY 0.00153 0.00000 0.00667 -0.00000 0.00461 113 2PZ -0.00049 -0.00000 -0.00417 0.00000 -0.00237 114 3S -0.00133 -0.00000 -0.01106 0.00000 -0.01200 115 3PX -0.00000 0.00354 -0.00000 0.00955 -0.00000 116 3PY 0.00234 0.00000 0.00986 -0.00000 0.00655 117 3PZ -0.00077 -0.00000 -0.00608 0.00000 -0.00348 118 4S 0.00001 -0.00000 -0.00547 0.00000 -0.00716 119 4PX -0.00000 0.00246 -0.00000 0.00819 -0.00000 120 4PY 0.00066 0.00000 0.00378 -0.00000 0.00297 121 4PZ -0.00092 -0.00000 -0.00329 0.00000 -0.00231 122 5S -0.00241 -0.00000 -0.01019 0.00000 -0.00976 123 5PX -0.00000 0.00075 0.00000 0.00166 -0.00000 124 5PY -0.00024 -0.00000 -0.00021 -0.00000 0.00010 125 5PZ 0.00068 0.00000 0.00202 -0.00000 0.00201 126 6D 0 0.00028 0.00000 0.00066 -0.00000 0.00017 127 6D+1 -0.00000 0.00011 -0.00000 0.00021 -0.00000 128 6D-1 -0.00000 0.00000 0.00023 -0.00000 0.00013 129 6D+2 0.00024 0.00000 0.00073 -0.00000 0.00037 130 6D-2 0.00000 -0.00021 0.00000 -0.00031 0.00000 131 7D 0 0.00073 0.00000 0.00121 -0.00000 0.00026 132 7D+1 0.00000 0.00031 0.00000 0.00073 0.00000 133 7D-1 -0.00037 -0.00000 -0.00026 0.00000 -0.00022 134 7D+2 0.00045 0.00000 0.00078 0.00000 0.00025 135 7D-2 0.00000 -0.00039 0.00000 -0.00053 0.00000 136 6 N 1S 0.00132 0.00000 0.00017 0.00000 -0.00705 137 2S 0.00195 0.00000 -0.00022 0.00000 -0.00877 138 2PX -0.00000 0.00428 0.00000 0.00680 0.00000 139 2PY 0.00241 0.00000 -0.00483 0.00000 -0.00925 140 2PZ 0.00559 0.00000 0.01389 -0.00000 0.00731 141 3S -0.00492 -0.00000 0.00215 -0.00000 0.01700 142 3PX -0.00000 0.00649 0.00000 0.01031 0.00000 143 3PY 0.00347 0.00000 -0.00701 0.00000 -0.01333 144 3PZ 0.00819 0.00000 0.02024 -0.00000 0.01040 145 4S 0.00027 0.00000 0.01198 -0.00000 0.01817 146 4PX -0.00000 0.00536 0.00000 0.00874 0.00000 147 4PY 0.00165 -0.00000 -0.00387 0.00000 -0.00720 148 4PZ 0.00643 0.00000 0.01657 -0.00000 0.00951 149 5S 0.00372 0.00000 0.00880 -0.00000 0.00610 150 5PX 0.00000 0.00003 -0.00000 0.00134 -0.00000 151 5PY -0.00029 -0.00000 0.00014 -0.00000 0.00014 152 5PZ 0.00074 0.00000 0.00199 -0.00000 0.00074 153 6D 0 -0.00008 -0.00000 -0.00028 0.00000 -0.00023 154 6D+1 0.00000 -0.00017 -0.00000 -0.00020 -0.00000 155 6D-1 -0.00016 -0.00000 0.00043 -0.00000 0.00074 156 6D+2 0.00026 0.00000 0.00041 -0.00000 0.00002 157 6D-2 0.00000 -0.00000 0.00000 0.00021 -0.00000 158 7D 0 -0.00041 -0.00000 -0.00127 0.00000 -0.00078 159 7D+1 0.00000 -0.00064 -0.00000 -0.00077 -0.00000 160 7D-1 -0.00020 0.00000 0.00073 -0.00000 0.00121 161 7D+2 0.00014 0.00000 0.00001 -0.00000 -0.00004 162 7D-2 -0.00000 -0.00001 -0.00000 0.00083 -0.00000 163 7 H 1S -0.00005 -0.00000 -0.00067 0.00000 -0.00071 164 2S -0.00013 -0.00000 -0.00115 0.00000 -0.00056 165 3S -0.00089 -0.00000 -0.00145 -0.00000 0.00015 166 4PX -0.00000 0.00017 0.00000 0.00052 -0.00000 167 4PY 0.00000 0.00000 0.00025 -0.00000 0.00020 168 4PZ -0.00006 -0.00000 -0.00011 0.00000 -0.00001 169 8 H 1S -0.00033 -0.00000 -0.00089 0.00000 -0.00021 170 2S -0.00087 -0.00000 -0.00219 0.00000 -0.00072 171 3S -0.00072 -0.00000 -0.00243 0.00000 -0.00265 172 4PX -0.00000 -0.00002 -0.00000 -0.00006 0.00000 173 4PY 0.00006 0.00000 0.00011 0.00000 -0.00013 174 4PZ 0.00004 0.00000 0.00012 -0.00000 0.00006 175 9 H 1S 0.00019 0.00000 0.00015 -0.00000 0.00169 176 2S 0.00057 0.00000 0.00070 -0.00000 0.00287 177 3S 0.00053 0.00000 0.00084 -0.00000 0.00191 178 4PX 0.00000 -0.00011 -0.00000 -0.00072 0.00000 179 4PY 0.00000 0.00000 -0.00001 -0.00000 0.00031 180 4PZ 0.00003 0.00000 0.00003 -0.00000 0.00007 181 10 H 1S -0.00050 -0.00000 0.00013 -0.00000 0.00666 182 2S -0.00108 -0.00000 -0.00062 -0.00000 0.00989 183 3S -0.00123 -0.00000 -0.00175 -0.00000 0.00393 184 4PX 0.00000 -0.00001 0.00000 -0.00083 0.00000 185 4PY -0.00004 -0.00000 0.00009 -0.00000 0.00058 186 4PZ 0.00007 0.00000 0.00026 -0.00000 0.00068 187 11 H 1S -0.00260 -0.00000 -0.00325 0.00000 -0.00391 188 2S -0.00373 -0.00000 -0.00511 0.00000 -0.00598 189 3S -0.00131 -0.00000 -0.00436 0.00000 -0.00546 190 4PX 0.00000 0.00017 0.00000 -0.00022 0.00000 191 4PY -0.00042 -0.00000 -0.00029 0.00000 -0.00010 192 4PZ 0.00011 -0.00000 0.00006 -0.00000 0.00026 26 27 28 29 30 26 7D+2 0.00086 27 7D-2 0.00000 0.00079 28 2 C 1S -0.00141 -0.00000 0.65852 29 2S -0.00128 -0.00000 0.56026 0.48968 30 2PX 0.00000 -0.00273 0.00000 0.00000 0.06809 31 2PY 0.00168 0.00000 -0.00034 -0.00064 -0.00000 32 2PZ 0.00356 0.00000 -0.00053 -0.00087 -0.00000 33 3S 0.00069 0.00000 -0.07854 -0.14099 -0.00000 34 3PX 0.00000 -0.00415 0.00000 0.00000 0.10470 35 3PY 0.00235 0.00000 -0.00047 -0.00220 -0.00000 36 3PZ 0.00487 0.00000 -0.00086 -0.00202 -0.00000 37 4S -0.00032 0.00000 -0.06310 -0.09160 0.00000 38 4PX 0.00000 -0.00378 0.00000 -0.00000 0.08438 39 4PY 0.00068 0.00000 -0.00184 0.00093 -0.00000 40 4PZ 0.00295 0.00000 -0.00427 -0.00378 -0.00000 41 5S 0.00427 0.00000 0.04821 0.05026 0.00000 42 5PX 0.00000 -0.00159 -0.00000 -0.00000 0.01144 43 5PY 0.00009 -0.00000 0.00832 0.00990 -0.00000 44 5PZ 0.00143 0.00000 0.01722 0.02038 0.00000 45 6D 0 0.00022 0.00000 -0.00073 -0.00157 0.00000 46 6D+1 0.00000 0.00016 -0.00000 -0.00000 0.00124 47 6D-1 -0.00022 -0.00000 0.00026 0.00042 0.00000 48 6D+2 0.00015 0.00000 0.00088 0.00214 -0.00000 49 6D-2 0.00000 -0.00013 0.00000 0.00000 0.00222 50 7D 0 -0.00007 -0.00000 -0.00067 -0.00114 0.00000 51 7D+1 -0.00000 0.00062 -0.00000 -0.00000 0.00162 52 7D-1 0.00006 0.00000 0.00066 0.00135 0.00000 53 7D+2 0.00001 0.00000 -0.00017 -0.00034 -0.00000 54 7D-2 0.00000 -0.00024 -0.00000 -0.00000 0.00310 55 3 C 1S -0.00213 -0.00000 0.00534 0.00830 0.00000 56 2S -0.00182 -0.00000 0.00830 0.01274 0.00000 57 2PX 0.00000 -0.00336 -0.00000 -0.00000 0.04381 58 2PY -0.00020 0.00000 0.01676 0.02697 0.00000 59 2PZ -0.00066 0.00000 -0.00979 -0.01574 -0.00000 60 3S 0.00037 0.00000 -0.01976 -0.03071 -0.00000 61 3PX 0.00000 -0.00512 -0.00000 -0.00000 0.06768 62 3PY -0.00033 -0.00000 0.02732 0.04079 0.00000 63 3PZ -0.00077 0.00000 -0.01518 -0.02312 -0.00000 64 4S 0.00215 0.00000 -0.00230 -0.00673 -0.00000 65 4PX 0.00000 -0.00460 -0.00000 -0.00000 0.05116 66 4PY -0.00024 0.00000 0.01553 0.02103 0.00000 67 4PZ 0.00012 0.00000 -0.00070 -0.00480 -0.00000 68 5S 0.00335 0.00000 -0.01907 -0.02247 -0.00000 69 5PX -0.00000 -0.00026 0.00000 0.00000 0.00801 70 5PY 0.00092 0.00000 -0.00908 -0.01234 -0.00000 71 5PZ -0.00021 -0.00000 -0.00426 -0.00527 -0.00000 72 6D 0 0.00013 0.00000 0.00042 0.00067 -0.00000 73 6D+1 0.00000 -0.00006 -0.00000 -0.00000 0.00190 74 6D-1 -0.00012 -0.00000 0.00196 0.00298 0.00000 75 6D+2 0.00009 -0.00000 0.00114 0.00175 0.00000 76 6D-2 0.00000 0.00012 0.00000 0.00000 -0.00280 77 7D 0 -0.00010 0.00000 0.00147 0.00111 -0.00000 78 7D+1 0.00000 0.00001 -0.00000 -0.00000 0.00272 79 7D-1 -0.00019 -0.00000 0.00570 0.00581 0.00000 80 7D+2 0.00011 -0.00000 0.00360 0.00389 0.00000 81 7D-2 -0.00000 0.00038 0.00000 0.00000 -0.00877 82 4 C 1S -0.00019 -0.00000 -0.00101 -0.00154 -0.00000 83 2S -0.00007 -0.00000 -0.00154 -0.00250 -0.00000 84 2PX -0.00000 0.00039 0.00000 0.00000 -0.00387 85 2PY 0.00120 0.00000 -0.00420 -0.00668 -0.00000 86 2PZ 0.00029 0.00000 -0.00111 -0.00173 -0.00000 87 3S -0.00052 0.00000 0.00407 0.00744 0.00000 88 3PX -0.00000 0.00063 0.00000 0.00000 -0.00545 89 3PY 0.00167 0.00000 -0.00401 -0.00810 -0.00000 90 3PZ 0.00033 0.00000 -0.00101 -0.00186 -0.00000 91 4S -0.00046 0.00000 -0.00434 -0.00431 0.00000 92 4PX -0.00000 0.00030 -0.00000 0.00000 -0.00967 93 4PY 0.00172 0.00000 0.00171 -0.00113 -0.00000 94 4PZ 0.00063 0.00000 0.00095 0.00071 -0.00000 95 5S 0.00283 0.00000 0.02050 0.02660 0.00000 96 5PX -0.00000 -0.00072 0.00000 0.00000 -0.00852 97 5PY 0.00097 0.00000 -0.00067 -0.00182 -0.00000 98 5PZ 0.00263 0.00000 -0.00269 -0.00404 -0.00000 99 6D 0 -0.00005 0.00000 0.00041 0.00073 0.00000 100 6D+1 -0.00000 0.00031 -0.00000 -0.00000 -0.00213 101 6D-1 0.00017 0.00000 0.00032 0.00058 0.00000 102 6D+2 0.00004 -0.00000 0.00029 0.00036 0.00000 103 6D-2 -0.00000 0.00011 0.00000 0.00000 -0.00176 104 7D 0 -0.00016 -0.00000 0.00379 0.00412 0.00000 105 7D+1 -0.00000 0.00098 0.00000 -0.00000 -0.00667 106 7D-1 0.00026 0.00000 -0.00027 0.00027 0.00000 107 7D+2 -0.00004 -0.00000 0.00142 0.00202 0.00000 108 7D-2 -0.00000 0.00035 0.00000 0.00000 -0.00570 109 5 C 1S 0.00037 0.00000 -0.00123 -0.00183 -0.00000 110 2S 0.00155 0.00000 -0.00183 -0.00291 -0.00000 111 2PX -0.00000 0.00559 0.00000 0.00000 -0.02797 112 2PY 0.00499 0.00000 -0.00213 -0.00345 0.00000 113 2PZ -0.00063 -0.00000 -0.00125 -0.00194 0.00000 114 3S -0.00749 -0.00000 0.00427 0.00801 0.00000 115 3PX -0.00000 0.00847 0.00000 0.00000 -0.04243 116 3PY 0.00729 0.00000 -0.00349 -0.00594 0.00000 117 3PZ -0.00103 -0.00000 -0.00068 -0.00188 0.00000 118 4S -0.00275 -0.00000 0.00416 0.00542 0.00000 119 4PX -0.00000 0.00638 0.00000 0.00000 -0.04128 120 4PY 0.00269 0.00000 -0.00446 -0.00513 0.00000 121 4PZ -0.00097 -0.00000 -0.00068 -0.00176 -0.00000 122 5S -0.00668 -0.00000 -0.00155 -0.00264 0.00000 123 5PX -0.00000 0.00160 0.00000 0.00000 -0.00543 124 5PY -0.00041 -0.00000 -0.00200 -0.00132 0.00000 125 5PZ 0.00167 0.00000 0.00384 0.00415 -0.00000 126 6D 0 0.00031 0.00000 -0.00025 -0.00033 0.00000 127 6D+1 -0.00000 0.00017 -0.00000 -0.00000 0.00001 128 6D-1 0.00016 0.00000 0.00022 0.00028 0.00000 129 6D+2 0.00045 0.00000 -0.00012 -0.00025 -0.00000 130 6D-2 0.00000 -0.00039 -0.00000 -0.00000 0.00013 131 7D 0 0.00078 0.00000 -0.00081 -0.00113 0.00000 132 7D+1 -0.00000 0.00053 -0.00000 -0.00000 -0.00088 133 7D-1 -0.00025 -0.00000 0.00038 0.00055 -0.00000 134 7D+2 0.00055 0.00000 -0.00019 -0.00007 0.00000 135 7D-2 0.00000 -0.00066 -0.00000 -0.00000 -0.00039 136 6 N 1S -0.00047 -0.00000 -0.00027 -0.00039 -0.00000 137 2S -0.00013 -0.00000 -0.00043 -0.00064 -0.00000 138 2PX -0.00000 0.00784 0.00000 0.00000 -0.00569 139 2PY -0.00180 -0.00000 -0.00240 -0.00381 -0.00000 140 2PZ 0.00924 0.00000 -0.00594 -0.00966 -0.00000 141 3S -0.00160 0.00000 0.00180 0.00253 0.00000 142 3PX -0.00000 0.01190 0.00000 0.00000 -0.00844 143 3PY -0.00263 -0.00000 -0.00282 -0.00497 -0.00000 144 3PZ 0.01349 0.00000 -0.00814 -0.01375 -0.00000 145 4S 0.00540 0.00000 -0.01041 -0.01245 -0.00000 146 4PX -0.00000 0.00987 0.00000 0.00000 -0.00848 147 4PY -0.00151 -0.00000 -0.00148 -0.00198 -0.00000 148 4PZ 0.01062 0.00000 -0.00454 -0.00992 0.00000 149 5S 0.00558 0.00000 -0.00196 -0.00290 0.00000 150 5PX -0.00000 0.00031 0.00000 0.00000 -0.00822 151 5PY -0.00008 -0.00000 -0.00104 -0.00045 0.00000 152 5PZ 0.00096 0.00000 -0.00479 -0.00627 0.00000 153 6D 0 -0.00023 -0.00000 -0.00006 -0.00012 -0.00000 154 6D+1 -0.00000 -0.00029 0.00000 0.00000 -0.00019 155 6D-1 0.00020 0.00000 -0.00005 -0.00011 0.00000 156 6D+2 0.00027 0.00000 -0.00018 -0.00041 0.00000 157 6D-2 -0.00000 0.00008 -0.00000 -0.00000 -0.00176 158 7D 0 -0.00097 -0.00000 -0.00040 -0.00018 -0.00000 159 7D+1 0.00000 -0.00112 0.00000 0.00000 -0.00073 160 7D-1 0.00038 0.00000 -0.00146 -0.00159 0.00000 161 7D+2 -0.00010 -0.00000 -0.00073 -0.00071 0.00000 162 7D-2 -0.00000 0.00030 -0.00000 -0.00000 -0.00693 163 7 H 1S 0.00077 0.00000 -0.00002 -0.00004 -0.00000 164 2S 0.00105 -0.00000 0.00072 0.00150 0.00000 165 3S -0.00038 -0.00000 0.00256 0.00314 0.00000 166 4PX -0.00000 0.00042 0.00000 0.00000 -0.00253 167 4PY -0.00000 0.00000 -0.00006 -0.00020 0.00000 168 4PZ -0.00012 -0.00000 -0.00001 -0.00010 0.00000 169 8 H 1S 0.00016 -0.00000 -0.00248 -0.00404 -0.00000 170 2S -0.00022 -0.00000 -0.00462 -0.00610 -0.00000 171 3S -0.00097 -0.00000 -0.00366 -0.00521 -0.00000 172 4PX -0.00000 0.00002 -0.00000 -0.00000 -0.00056 173 4PY -0.00000 0.00000 0.00048 0.00032 -0.00000 174 4PZ 0.00008 0.00000 0.00016 0.00005 -0.00000 175 9 H 1S 0.00093 0.00000 0.00382 0.00651 0.00000 176 2S 0.00184 0.00000 0.00713 0.01190 0.00000 177 3S 0.00093 0.00000 0.00611 0.00775 0.00000 178 4PX 0.00000 -0.00031 -0.00000 -0.00000 0.00363 179 4PY 0.00000 0.00000 0.00140 0.00165 0.00000 180 4PZ 0.00016 0.00000 0.00004 0.00037 -0.00000 181 10 H 1S -0.00294 -0.00000 -0.02058 -0.03222 0.00000 182 2S -0.00480 -0.00000 -0.03253 -0.04741 0.00000 183 3S -0.00239 -0.00000 0.00125 0.00180 0.00000 184 4PX 0.00000 -0.00026 0.00000 0.00000 0.00586 185 4PY -0.00036 -0.00000 -0.00576 -0.00769 0.00000 186 4PZ -0.00004 0.00000 -0.00305 -0.00408 0.00000 187 11 H 1S -0.00028 -0.00000 0.00473 0.00797 -0.00000 188 2S -0.00042 -0.00000 0.00809 0.01386 -0.00000 189 3S -0.00188 -0.00000 0.00700 0.00958 -0.00000 190 4PX -0.00000 0.00016 -0.00000 -0.00000 0.00361 191 4PY 0.00004 -0.00000 0.00069 0.00111 -0.00000 192 4PZ -0.00015 -0.00000 0.00101 0.00099 -0.00000 31 32 33 34 35 31 2PY 0.09087 32 2PZ -0.00100 0.09242 33 3S 0.00404 0.00283 0.43197 34 3PX -0.00000 -0.00000 -0.00000 0.16101 35 3PY 0.12470 -0.00295 0.01310 -0.00000 0.17141 36 3PZ -0.00291 0.12870 0.00796 -0.00000 -0.00612 37 4S -0.00448 0.00617 0.22333 0.00000 -0.00213 38 4PX -0.00000 -0.00000 0.00000 0.12969 -0.00000 39 4PY 0.06622 0.00046 -0.01270 -0.00000 0.09073 40 4PZ 0.00224 0.06928 0.00174 -0.00000 0.00191 41 5S -0.02427 -0.01613 -0.05732 0.00000 -0.03241 42 5PX -0.00000 -0.00000 0.00000 0.01746 -0.00000 43 5PY 0.00363 0.00752 -0.01680 -0.00000 0.00469 44 5PZ -0.00596 -0.01190 -0.03478 0.00000 -0.00844 45 6D 0 -0.00001 0.00635 0.00548 0.00000 -0.00007 46 6D+1 0.00000 -0.00000 0.00000 0.00190 0.00000 47 6D-1 -0.00614 0.00156 -0.00128 0.00000 -0.00841 48 6D+2 -0.00063 0.00342 -0.00803 -0.00000 -0.00108 49 6D-2 -0.00000 0.00000 -0.00000 0.00342 -0.00000 50 7D 0 0.00005 0.00272 0.00329 0.00000 -0.00004 51 7D+1 0.00000 -0.00000 0.00000 0.00249 0.00000 52 7D-1 -0.00198 0.00232 -0.00448 0.00000 -0.00265 53 7D+2 -0.00138 0.00033 0.00125 -0.00000 -0.00190 54 7D-2 -0.00000 0.00000 0.00000 0.00479 -0.00000 55 3 C 1S -0.01656 0.01021 -0.01961 0.00000 -0.02648 56 2S -0.02665 0.01644 -0.03050 0.00000 -0.03990 57 2PX 0.00000 -0.00000 0.00000 0.06758 0.00000 58 2PY -0.05122 0.03468 -0.07655 0.00000 -0.07180 59 2PZ 0.03090 -0.01596 0.04459 -0.00000 0.04420 60 3S 0.07604 -0.04645 0.07726 -0.00000 0.10553 61 3PX 0.00000 -0.00000 0.00000 0.10441 0.00000 62 3PY -0.07245 0.04897 -0.10620 0.00000 -0.10154 63 3PZ 0.04374 -0.02205 0.06151 -0.00000 0.06248 64 4S 0.02591 -0.02023 0.02539 -0.00000 0.03580 65 4PX 0.00000 -0.00000 0.00000 0.07888 0.00000 66 4PY -0.03865 0.02100 -0.04794 0.00000 -0.05376 67 4PZ 0.01368 -0.01576 0.02510 -0.00000 0.02007 68 5S 0.01877 0.03231 0.03757 -0.00000 0.02537 69 5PX -0.00000 -0.00000 -0.00000 0.01238 -0.00000 70 5PY 0.00625 0.01546 0.02781 -0.00000 0.00913 71 5PZ 0.00038 0.00706 0.01003 -0.00000 0.00045 72 6D 0 0.00041 0.00298 -0.00194 -0.00000 0.00040 73 6D+1 0.00000 -0.00000 0.00000 0.00293 0.00000 74 6D-1 -0.00521 0.00115 -0.00794 0.00000 -0.00731 75 6D+2 -0.00173 0.00283 -0.00452 0.00000 -0.00251 76 6D-2 -0.00000 0.00000 -0.00000 -0.00429 -0.00000 77 7D 0 0.00183 0.00629 0.00063 -0.00000 0.00235 78 7D+1 0.00000 0.00000 0.00000 0.00421 0.00000 79 7D-1 -0.00391 -0.00290 -0.00636 0.00000 -0.00538 80 7D+2 0.00223 0.00395 -0.00509 0.00000 0.00290 81 7D-2 0.00000 0.00000 -0.00000 -0.01343 0.00000 82 4 C 1S 0.00420 -0.00111 0.00407 -0.00000 0.00401 83 2S 0.00668 -0.00173 0.00744 -0.00000 0.00810 84 2PX -0.00000 0.00000 -0.00000 -0.00545 -0.00000 85 2PY 0.01116 -0.00306 0.02019 -0.00000 0.01531 86 2PZ 0.00306 0.00175 0.00490 -0.00000 0.00346 87 3S -0.02019 0.00490 -0.02603 0.00000 -0.02997 88 3PX -0.00000 0.00000 -0.00000 -0.00760 -0.00000 89 3PY 0.01531 -0.00346 0.02997 -0.00000 0.02107 90 3PZ 0.00423 0.00073 0.00614 -0.00000 0.00479 91 4S -0.00106 0.00907 0.00277 0.00000 -0.00235 92 4PX -0.00000 0.00000 -0.00000 -0.01427 -0.00000 93 4PY 0.00845 0.00064 0.01590 -0.00000 0.01153 94 4PZ 0.00318 0.00716 0.00042 -0.00000 0.00365 95 5S -0.01164 -0.06449 -0.05371 0.00000 -0.01506 96 5PX -0.00000 -0.00000 -0.00000 -0.01310 -0.00000 97 5PY 0.00698 0.01150 0.00734 -0.00000 0.00950 98 5PZ 0.00867 0.00207 0.01081 -0.00000 0.01247 99 6D 0 -0.00201 0.00079 -0.00232 0.00000 -0.00290 100 6D+1 0.00000 -0.00000 0.00000 -0.00325 0.00000 101 6D-1 -0.00145 0.00098 -0.00198 0.00000 -0.00195 102 6D+2 -0.00105 0.00041 -0.00065 0.00000 -0.00146 103 6D-2 -0.00000 0.00000 -0.00000 -0.00272 -0.00000 104 7D 0 -0.00340 0.00303 -0.00576 0.00000 -0.00489 105 7D+1 0.00000 0.00000 0.00000 -0.01019 0.00000 106 7D-1 -0.00168 0.00086 -0.00304 0.00000 -0.00219 107 7D+2 -0.00400 0.00117 -0.00489 0.00000 -0.00562 108 7D-2 -0.00000 0.00000 -0.00000 -0.00879 -0.00000 109 5 C 1S 0.00198 0.00146 0.00420 -0.00000 0.00160 110 2S 0.00309 0.00239 0.00757 -0.00000 0.00382 111 2PX 0.00000 0.00000 -0.00000 -0.04239 0.00000 112 2PY 0.00143 0.00592 0.00995 0.00000 0.00366 113 2PZ 0.00568 -0.00394 0.00612 0.00000 0.00861 114 3S -0.00908 -0.00868 -0.02508 0.00000 -0.01543 115 3PX 0.00000 0.00000 -0.00000 -0.06428 0.00000 116 3PY 0.00393 0.00979 0.01788 0.00000 0.00778 117 3PZ 0.00834 -0.00464 0.00883 0.00000 0.01252 118 4S -0.00887 -0.00579 -0.01088 0.00000 -0.01336 119 4PX 0.00000 0.00000 -0.00000 -0.06278 0.00000 120 4PY 0.00365 0.00539 0.00839 0.00000 0.00621 121 4PZ 0.00924 -0.00020 0.00732 0.00000 0.01323 122 5S -0.01372 0.03161 0.00607 0.00000 -0.02051 123 5PX 0.00000 0.00000 0.00000 -0.00821 0.00000 124 5PY -0.00105 -0.00712 -0.00187 0.00000 -0.00123 125 5PZ 0.00290 -0.00561 -0.00497 -0.00000 0.00428 126 6D 0 -0.00031 0.00101 0.00065 0.00000 -0.00052 127 6D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00017 0.00007 -0.00063 0.00000 -0.00008 129 6D+2 -0.00002 0.00081 0.00084 -0.00000 0.00000 130 6D-2 -0.00000 0.00000 0.00000 0.00017 -0.00000 131 7D 0 -0.00044 0.00275 0.00266 0.00000 -0.00071 132 7D+1 -0.00000 -0.00000 0.00000 -0.00139 -0.00000 133 7D-1 0.00053 0.00070 -0.00165 -0.00000 0.00089 134 7D+2 -0.00120 0.00029 -0.00052 0.00000 -0.00167 135 7D-2 -0.00000 0.00000 0.00000 -0.00063 -0.00000 136 6 N 1S 0.00184 0.00159 0.00177 -0.00000 0.00117 137 2S 0.00290 0.00253 0.00230 -0.00000 0.00264 138 2PX -0.00000 -0.00000 -0.00000 -0.00825 -0.00000 139 2PY 0.00396 0.00728 0.01163 -0.00000 0.00344 140 2PZ 0.00184 0.01807 0.02779 -0.00000 0.00322 141 3S -0.00872 -0.00889 -0.00616 0.00000 -0.01084 142 3PX -0.00000 -0.00000 -0.00000 -0.01223 -0.00000 143 3PY 0.00514 0.01050 0.01685 -0.00000 0.00417 144 3PZ 0.00317 0.02606 0.04106 -0.00000 0.00535 145 4S 0.00152 0.01359 0.02205 -0.00000 0.00358 146 4PX -0.00000 -0.00000 -0.00000 -0.01243 0.00000 147 4PY 0.00293 0.00293 0.00518 0.00000 0.00238 148 4PZ 0.00057 0.02363 0.03606 0.00000 0.00154 149 5S -0.00642 0.01885 0.00796 0.00000 -0.00877 150 5PX 0.00000 0.00000 0.00000 -0.01270 0.00000 151 5PY 0.00136 -0.00563 -0.00250 0.00000 0.00188 152 5PZ 0.00161 0.01127 0.01317 0.00000 0.00219 153 6D 0 0.00010 0.00056 0.00039 -0.00000 0.00010 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00032 -0.00000 155 6D-1 0.00015 0.00044 0.00029 0.00000 0.00039 156 6D+2 0.00005 0.00119 0.00150 0.00000 0.00006 157 6D-2 0.00000 0.00000 0.00000 -0.00269 0.00000 158 7D 0 -0.00049 0.00128 -0.00093 -0.00000 -0.00081 159 7D+1 0.00000 -0.00000 -0.00000 -0.00120 0.00000 160 7D-1 -0.00008 0.00245 0.00204 0.00000 0.00020 161 7D+2 -0.00099 0.00089 0.00066 0.00000 -0.00141 162 7D-2 0.00000 0.00000 0.00000 -0.01060 0.00000 163 7 H 1S 0.00089 -0.00115 0.00059 -0.00000 0.00225 164 2S -0.00212 -0.00533 -0.00443 0.00000 -0.00132 165 3S -0.00201 -0.00465 -0.00590 0.00000 -0.00185 166 4PX 0.00000 -0.00000 -0.00000 -0.00385 0.00000 167 4PY 0.00028 0.00073 0.00082 0.00000 0.00032 168 4PZ 0.00043 -0.00002 0.00046 0.00000 0.00055 169 8 H 1S 0.00816 -0.00476 0.01222 -0.00000 0.01107 170 2S 0.01290 -0.00988 0.01439 -0.00000 0.01752 171 3S 0.01528 -0.00849 0.01336 -0.00000 0.02104 172 4PX -0.00000 -0.00000 -0.00000 -0.00083 -0.00000 173 4PY 0.00033 0.00055 0.00045 -0.00000 0.00048 174 4PZ 0.00048 -0.00004 0.00054 -0.00000 0.00060 175 9 H 1S -0.00771 0.01087 -0.02088 0.00000 -0.01198 176 2S -0.01285 0.01861 -0.03673 0.00000 -0.01981 177 3S -0.01123 0.01997 -0.01572 0.00000 -0.01649 178 4PX 0.00000 -0.00000 0.00000 0.00560 0.00000 179 4PY -0.00229 0.00161 -0.00285 0.00000 -0.00318 180 4PZ 0.00020 -0.00016 -0.00224 -0.00000 0.00014 181 10 H 1S -0.06689 -0.03589 0.08455 0.00000 -0.08947 182 2S -0.10019 -0.05558 0.11379 0.00000 -0.13411 183 3S -0.03557 -0.01945 -0.00550 0.00000 -0.04816 184 4PX 0.00000 0.00000 -0.00000 0.00901 0.00000 185 4PY -0.00662 -0.00585 0.01639 0.00000 -0.00867 186 4PZ -0.00569 0.00099 0.00869 0.00000 -0.00766 187 11 H 1S 0.00466 -0.01458 -0.02458 -0.00000 0.00536 188 2S 0.00771 -0.02410 -0.04290 -0.00000 0.00900 189 3S 0.00975 -0.02661 -0.02178 -0.00000 0.01269 190 4PX -0.00000 0.00000 0.00000 0.00555 -0.00000 191 4PY 0.00012 -0.00107 -0.00329 -0.00000 0.00009 192 4PZ 0.00005 -0.00214 -0.00071 -0.00000 0.00018 36 37 38 39 40 36 3PZ 0.17938 37 4S 0.01100 0.12915 38 4PX -0.00000 0.00000 0.10513 39 4PY -0.00049 -0.00787 -0.00000 0.05160 40 4PZ 0.09650 0.00826 -0.00000 0.00275 0.05482 41 5S -0.02122 -0.02450 0.00000 -0.01723 -0.00412 42 5PX -0.00000 0.00000 0.01536 -0.00000 -0.00000 43 5PY 0.01049 -0.00886 -0.00000 0.00442 0.00558 44 5PZ -0.01682 -0.01514 0.00000 -0.00526 -0.00542 45 6D 0 0.00888 0.00280 0.00000 -0.00002 0.00477 46 6D+1 -0.00000 0.00000 0.00156 0.00000 -0.00000 47 6D-1 0.00229 0.00041 0.00000 -0.00423 0.00099 48 6D+2 0.00469 -0.00412 -0.00000 -0.00013 0.00262 49 6D-2 0.00000 -0.00000 0.00264 -0.00000 0.00000 50 7D 0 0.00383 0.00157 0.00000 0.00032 0.00225 51 7D+1 -0.00000 0.00000 0.00208 0.00000 -0.00000 52 7D-1 0.00324 -0.00067 0.00000 -0.00106 0.00221 53 7D+2 0.00051 0.00043 -0.00000 -0.00105 0.00038 54 7D-2 0.00000 0.00000 0.00349 -0.00000 0.00000 55 3 C 1S 0.01666 -0.01396 0.00000 -0.01241 0.00930 56 2S 0.02485 -0.01806 0.00000 -0.01864 0.01226 57 2PX -0.00000 0.00000 0.05196 0.00000 -0.00000 58 2PY 0.04894 -0.03019 0.00000 -0.03396 0.02292 59 2PZ -0.02223 0.02617 -0.00000 0.02127 -0.01604 60 3S -0.06435 0.03497 -0.00000 0.04948 -0.02651 61 3PX -0.00000 0.00000 0.08022 0.00000 -0.00000 62 3PY 0.06913 -0.04187 0.00000 -0.04813 0.03228 63 3PZ -0.03072 0.03587 -0.00000 0.02992 -0.02182 64 4S -0.02834 0.00152 -0.00000 0.01178 -0.01209 65 4PX -0.00000 0.00000 0.06105 0.00000 -0.00000 66 4PY 0.02972 -0.01761 0.00000 -0.02608 0.01398 67 4PZ -0.02196 0.00931 -0.00000 0.00724 -0.01679 68 5S 0.04414 0.01310 -0.00000 0.00910 0.02097 69 5PX -0.00000 -0.00000 0.00930 -0.00000 -0.00000 70 5PY 0.02198 0.01266 -0.00000 0.00457 0.01106 71 5PZ 0.00973 0.00312 -0.00000 -0.00015 0.00252 72 6D 0 0.00409 -0.00084 -0.00000 0.00026 0.00277 73 6D+1 -0.00000 0.00000 0.00220 0.00000 -0.00000 74 6D-1 0.00161 -0.00316 0.00000 -0.00355 0.00064 75 6D+2 0.00388 -0.00224 0.00000 -0.00109 0.00223 76 6D-2 0.00000 -0.00000 -0.00366 -0.00000 0.00000 77 7D 0 0.00864 0.00161 -0.00000 0.00165 0.00500 78 7D+1 0.00000 0.00000 0.00310 0.00000 0.00000 79 7D-1 -0.00412 -0.00251 0.00000 -0.00274 -0.00210 80 7D+2 0.00537 -0.00219 0.00000 0.00191 0.00330 81 7D-2 0.00000 -0.00000 -0.01147 0.00000 0.00000 82 4 C 1S -0.00101 -0.00434 0.00000 -0.00171 0.00095 83 2S -0.00186 -0.00431 -0.00000 0.00113 0.00071 84 2PX 0.00000 -0.00000 -0.00967 -0.00000 0.00000 85 2PY -0.00423 0.00106 -0.00000 0.00845 -0.00318 86 2PZ 0.00073 0.00907 0.00000 -0.00064 0.00716 87 3S 0.00614 0.00277 0.00000 -0.01590 0.00042 88 3PX 0.00000 -0.00000 -0.01427 -0.00000 0.00000 89 3PY -0.00479 0.00235 -0.00000 0.01153 -0.00365 90 3PZ -0.00137 0.01249 0.00000 -0.00073 0.00873 91 4S 0.01249 0.01864 -0.00000 0.00217 0.00808 92 4PX 0.00000 0.00000 -0.01778 -0.00000 0.00000 93 4PY 0.00073 -0.00217 -0.00000 0.00412 -0.00098 94 4PZ 0.00873 0.00808 0.00000 0.00098 0.01149 95 5S -0.08990 -0.02509 0.00000 -0.00940 -0.03872 96 5PX -0.00000 -0.00000 -0.01073 -0.00000 -0.00000 97 5PY 0.01600 0.00176 -0.00000 0.00480 0.00739 98 5PZ 0.00300 0.00446 -0.00000 0.00525 0.00433 99 6D 0 0.00100 -0.00045 0.00000 -0.00153 0.00097 100 6D+1 -0.00000 0.00000 -0.00284 0.00000 -0.00000 101 6D-1 0.00138 -0.00058 0.00000 -0.00115 0.00084 102 6D+2 0.00053 -0.00037 0.00000 -0.00081 0.00059 103 6D-2 0.00000 -0.00000 -0.00204 -0.00000 0.00000 104 7D 0 0.00420 -0.00212 -0.00000 -0.00196 0.00251 105 7D+1 0.00000 0.00000 -0.00874 0.00000 0.00000 106 7D-1 0.00116 -0.00173 0.00000 -0.00093 0.00037 107 7D+2 0.00164 -0.00241 0.00000 -0.00268 0.00074 108 7D-2 0.00000 -0.00000 -0.00690 -0.00000 0.00000 109 5 C 1S 0.00179 -0.02167 0.00000 -0.00597 -0.00485 110 2S 0.00317 -0.01989 0.00000 -0.00499 -0.00388 111 2PX 0.00000 0.00000 -0.04017 0.00000 0.00000 112 2PY 0.00776 -0.00246 0.00000 -0.00230 0.00368 113 2PZ -0.00370 -0.00148 0.00000 0.00758 -0.00607 114 3S -0.01235 0.00956 0.00000 -0.00044 -0.00252 115 3PX 0.00000 0.00000 -0.06103 0.00000 0.00000 116 3PY 0.01294 -0.00097 0.00000 -0.00212 0.00678 117 3PZ -0.00392 -0.00240 0.00000 0.01094 -0.00806 118 4S -0.00830 -0.01031 0.00000 -0.00759 -0.00815 119 4PX 0.00000 -0.00000 -0.05735 0.00000 0.00000 120 4PY 0.00744 0.00677 0.00000 0.00279 0.00601 121 4PZ 0.00078 0.00191 0.00000 0.01004 -0.00266 122 5S 0.04444 0.00677 0.00000 -0.00636 0.01509 123 5PX 0.00000 0.00000 -0.00798 0.00000 0.00000 124 5PY -0.01005 -0.00088 0.00000 -0.00078 -0.00501 125 5PZ -0.00775 -0.00339 0.00000 0.00170 -0.00262 126 6D 0 0.00127 0.00108 0.00000 -0.00077 0.00126 127 6D+1 -0.00000 0.00000 0.00015 0.00000 0.00000 128 6D-1 0.00003 -0.00117 0.00000 -0.00037 -0.00039 129 6D+2 0.00103 -0.00026 0.00000 -0.00068 0.00066 130 6D-2 0.00000 0.00000 0.00037 -0.00000 0.00000 131 7D 0 0.00377 0.00155 0.00000 -0.00160 0.00269 132 7D+1 0.00000 0.00000 -0.00070 -0.00000 0.00000 133 7D-1 0.00085 -0.00140 -0.00000 0.00058 -0.00043 134 7D+2 0.00033 -0.00046 0.00000 -0.00172 0.00063 135 7D-2 0.00000 0.00000 -0.00030 -0.00000 0.00000 136 6 N 1S 0.00076 -0.03348 0.00000 -0.01708 -0.01050 137 2S 0.00200 -0.03821 0.00000 -0.01733 -0.01183 138 2PX -0.00000 -0.00000 -0.01089 0.00000 -0.00000 139 2PY 0.01107 0.00395 0.00000 -0.00076 0.00488 140 2PZ 0.02468 0.01525 0.00000 -0.00777 0.02061 141 3S -0.01051 0.05848 -0.00000 0.01685 0.01644 142 3PX -0.00000 -0.00000 -0.01631 0.00000 -0.00000 143 3PY 0.01597 0.00576 0.00000 -0.00151 0.00698 144 3PZ 0.03555 0.02162 0.00000 -0.01130 0.02947 145 4S 0.02007 0.06694 -0.00000 0.01407 0.03592 146 4PX -0.00000 -0.00000 -0.01521 0.00000 0.00000 147 4PY 0.00461 0.00075 0.00000 -0.00046 0.00148 148 4PZ 0.03241 0.02267 0.00000 -0.00980 0.02730 149 5S 0.02592 0.00671 0.00000 -0.01026 0.02024 150 5PX 0.00000 0.00000 -0.00957 0.00000 0.00000 151 5PY -0.00803 -0.00171 0.00000 0.00110 -0.00416 152 5PZ 0.01560 0.01031 0.00000 0.00018 0.01038 153 6D 0 0.00079 0.00027 -0.00000 0.00012 0.00033 154 6D+1 -0.00000 -0.00000 -0.00005 -0.00000 -0.00000 155 6D-1 0.00057 0.00026 0.00000 0.00040 0.00038 156 6D+2 0.00162 0.00021 0.00000 -0.00061 0.00092 157 6D-2 0.00000 0.00000 -0.00230 0.00000 0.00000 158 7D 0 0.00180 -0.00021 -0.00000 0.00021 0.00050 159 7D+1 -0.00000 -0.00000 -0.00020 -0.00000 -0.00000 160 7D-1 0.00343 0.00126 0.00000 0.00038 0.00186 161 7D+2 0.00122 -0.00025 0.00000 -0.00129 0.00062 162 7D-2 0.00000 -0.00000 -0.00905 0.00000 0.00000 163 7 H 1S -0.00116 -0.00211 -0.00000 0.00205 -0.00280 164 2S -0.00675 -0.00655 -0.00000 0.00049 -0.00712 165 3S -0.00612 -0.00751 -0.00000 -0.00006 -0.00698 166 4PX -0.00000 -0.00000 -0.00356 0.00000 0.00000 167 4PY 0.00095 0.00032 0.00000 -0.00009 0.00064 168 4PZ 0.00001 0.00024 0.00000 0.00037 -0.00004 169 8 H 1S -0.00610 -0.00012 -0.00000 0.00722 -0.00761 170 2S -0.01293 -0.00244 -0.00000 0.01214 -0.01383 171 3S -0.01144 0.00213 -0.00000 0.01265 -0.00840 172 4PX -0.00000 -0.00000 -0.00111 0.00000 -0.00000 173 4PY 0.00069 0.00072 0.00000 -0.00001 0.00108 174 4PZ -0.00008 0.00013 -0.00000 0.00034 -0.00006 175 9 H 1S 0.01503 -0.01336 0.00000 -0.00600 0.01395 176 2S 0.02564 -0.02348 0.00000 -0.01033 0.02259 177 3S 0.02756 -0.00840 0.00000 -0.00860 0.01777 178 4PX -0.00000 0.00000 0.00432 0.00000 -0.00000 179 4PY 0.00227 -0.00106 0.00000 -0.00152 0.00108 180 4PZ -0.00024 -0.00179 -0.00000 -0.00002 0.00070 181 10 H 1S -0.04796 0.04824 0.00000 -0.05202 -0.02941 182 2S -0.07441 0.06621 0.00000 -0.07681 -0.04559 183 3S -0.02637 0.00203 0.00000 -0.02436 -0.01615 184 4PX 0.00000 -0.00000 0.00729 0.00000 0.00000 185 4PY -0.00787 0.00875 0.00000 -0.00545 -0.00467 186 4PZ 0.00157 0.00512 0.00000 -0.00445 0.00064 187 11 H 1S -0.02119 -0.02513 -0.00000 0.00712 -0.01941 188 2S -0.03484 -0.04170 -0.00000 0.01102 -0.03070 189 3S -0.03750 -0.02106 -0.00000 0.00776 -0.02496 190 4PX 0.00000 0.00000 0.00446 -0.00000 0.00000 191 4PY -0.00158 -0.00285 -0.00000 0.00089 -0.00178 192 4PZ -0.00294 0.00071 -0.00000 -0.00014 -0.00086 41 42 43 44 45 41 5S 0.20324 42 5PX -0.00000 0.00462 43 5PY 0.01334 -0.00000 0.00455 44 5PZ 0.04337 0.00000 -0.00097 0.01883 45 6D 0 -0.00264 -0.00000 0.00045 -0.00169 0.00062 46 6D+1 -0.00000 0.00009 -0.00000 0.00000 -0.00000 47 6D-1 0.00130 -0.00000 0.00013 -0.00028 0.00004 48 6D+2 0.00099 -0.00000 0.00068 0.00020 0.00019 49 6D-2 -0.00000 0.00023 0.00000 -0.00000 0.00000 50 7D 0 -0.00525 -0.00000 0.00012 -0.00189 0.00050 51 7D+1 -0.00000 -0.00011 -0.00000 -0.00000 -0.00000 52 7D-1 0.00438 -0.00000 0.00068 0.00047 -0.00005 53 7D+2 0.00107 -0.00000 0.00022 -0.00040 0.00016 54 7D-2 -0.00000 0.00005 0.00000 -0.00000 0.00000 55 3 C 1S -0.00733 0.00000 -0.00028 -0.00179 0.00062 56 2S -0.00418 -0.00000 0.00118 -0.00352 0.00092 57 2PX -0.00000 0.00485 -0.00000 -0.00000 0.00000 58 2PY 0.02486 -0.00000 0.00333 0.00820 -0.00006 59 2PZ -0.01589 0.00000 -0.00421 -0.00269 -0.00314 60 3S -0.00835 0.00000 -0.00789 0.01247 -0.00251 61 3PX -0.00000 0.00737 -0.00000 -0.00000 0.00000 62 3PY 0.03511 -0.00000 0.00467 0.01151 -0.00005 63 3PZ -0.02161 0.00000 -0.00594 -0.00316 -0.00430 64 4S 0.01200 0.00000 -0.00408 0.01130 -0.00077 65 4PX -0.00000 0.00675 -0.00000 -0.00000 0.00000 66 4PY 0.01684 -0.00000 0.00120 0.00613 -0.00023 67 4PZ -0.00255 0.00000 -0.00305 -0.00050 -0.00252 68 5S -0.08109 0.00000 -0.01024 -0.00878 0.00230 69 5PX -0.00000 0.00031 -0.00000 0.00000 -0.00000 70 5PY 0.00783 -0.00000 0.00334 -0.00610 0.00152 71 5PZ -0.03139 0.00000 -0.00216 -0.00754 0.00051 72 6D 0 -0.00191 -0.00000 0.00004 0.00000 0.00030 73 6D+1 -0.00000 0.00008 0.00000 -0.00000 0.00000 74 6D-1 0.00114 0.00000 -0.00016 0.00122 -0.00015 75 6D+2 -0.00021 0.00000 0.00029 -0.00012 0.00023 76 6D-2 -0.00000 -0.00078 0.00000 0.00000 0.00000 77 7D 0 -0.00961 -0.00000 -0.00018 -0.00200 0.00046 78 7D+1 0.00000 -0.00005 0.00000 -0.00000 0.00000 79 7D-1 -0.00088 0.00000 -0.00084 0.00156 -0.00036 80 7D+2 -0.00391 0.00000 0.00003 -0.00033 0.00023 81 7D-2 -0.00000 -0.00243 0.00000 -0.00000 0.00000 82 4 C 1S 0.02050 -0.00000 0.00067 -0.00269 0.00041 83 2S 0.02660 -0.00000 0.00182 -0.00404 0.00073 84 2PX -0.00000 -0.00852 -0.00000 0.00000 -0.00000 85 2PY 0.01164 -0.00000 0.00698 -0.00867 0.00201 86 2PZ -0.06449 0.00000 -0.01150 0.00207 0.00079 87 3S -0.05371 0.00000 -0.00734 0.01081 -0.00232 88 3PX -0.00000 -0.01310 -0.00000 0.00000 0.00000 89 3PY 0.01506 -0.00000 0.00950 -0.01247 0.00290 90 3PZ -0.08990 0.00000 -0.01600 0.00300 0.00100 91 4S -0.02509 0.00000 -0.00176 0.00446 -0.00045 92 4PX -0.00000 -0.01073 -0.00000 0.00000 0.00000 93 4PY 0.00940 -0.00000 0.00480 -0.00525 0.00153 94 4PZ -0.03872 0.00000 -0.00739 0.00433 0.00097 95 5S 0.16996 -0.00000 0.00465 0.04759 -0.00516 96 5PX 0.00000 -0.00092 -0.00000 0.00000 -0.00000 97 5PY -0.00465 -0.00000 0.00121 -0.00273 0.00080 98 5PZ 0.04759 -0.00000 0.00273 0.00959 0.00024 99 6D 0 -0.00516 0.00000 -0.00080 0.00024 0.00010 100 6D+1 -0.00000 -0.00084 0.00000 -0.00000 0.00000 101 6D-1 0.00149 0.00000 -0.00042 0.00115 -0.00009 102 6D+2 -0.00051 0.00000 -0.00020 0.00006 0.00012 103 6D-2 -0.00000 -0.00011 -0.00000 0.00000 0.00000 104 7D 0 -0.00416 0.00000 0.00004 -0.00055 0.00029 105 7D+1 0.00000 -0.00241 0.00000 0.00000 -0.00000 106 7D-1 -0.00095 0.00000 -0.00020 -0.00010 0.00001 107 7D+2 0.00140 0.00000 0.00030 0.00028 0.00008 108 7D-2 -0.00000 -0.00078 0.00000 0.00000 0.00000 109 5 C 1S 0.07108 -0.00000 0.00338 0.01275 0.00001 110 2S 0.08233 -0.00000 0.00591 0.01195 0.00002 111 2PX 0.00000 -0.01669 0.00000 0.00000 -0.00000 112 2PY 0.00038 0.00000 -0.00483 0.00296 0.00027 113 2PZ 0.05596 -0.00000 0.00818 -0.00232 -0.00034 114 3S -0.13835 0.00000 -0.01822 -0.00865 -0.00014 115 3PX -0.00000 -0.02546 0.00000 0.00000 -0.00000 116 3PY 0.00396 0.00000 -0.00660 0.00526 0.00048 117 3PZ 0.07717 -0.00000 0.01197 -0.00441 -0.00036 118 4S -0.08078 0.00000 -0.00947 -0.01163 0.00011 119 4PX -0.00000 -0.02018 0.00000 0.00000 -0.00000 120 4PY 0.00471 0.00000 -0.00323 0.00398 0.00009 121 4PZ 0.01901 -0.00000 0.00530 -0.00635 -0.00003 122 5S -0.14139 0.00000 -0.00383 -0.03713 0.00228 123 5PX 0.00000 -0.00390 0.00000 0.00000 0.00000 124 5PY -0.00992 0.00000 -0.00182 -0.00113 -0.00038 125 5PZ 0.04105 -0.00000 0.00181 0.00997 -0.00058 126 6D 0 -0.00232 0.00000 -0.00106 0.00159 0.00002 127 6D+1 0.00000 0.00010 0.00000 0.00000 -0.00000 128 6D-1 -0.00367 0.00000 -0.00060 -0.00066 -0.00009 129 6D+2 0.00119 -0.00000 -0.00031 0.00100 0.00003 130 6D-2 -0.00000 0.00063 -0.00000 0.00000 0.00000 131 7D 0 0.00541 0.00000 -0.00076 0.00348 0.00008 132 7D+1 0.00000 0.00011 0.00000 0.00000 -0.00000 133 7D-1 -0.01054 0.00000 -0.00066 -0.00254 -0.00014 134 7D+2 0.00283 0.00000 -0.00097 0.00263 -0.00005 135 7D-2 0.00000 0.00072 -0.00000 0.00000 0.00000 136 6 N 1S -0.05238 0.00000 -0.00776 -0.00947 0.00008 137 2S -0.07170 0.00000 -0.00834 -0.01492 0.00020 138 2PX -0.00000 -0.01261 0.00000 0.00000 -0.00000 139 2PY 0.00225 0.00000 0.00064 0.00097 0.00064 140 2PZ 0.07768 0.00000 -0.00554 0.03429 0.00039 141 3S 0.16792 -0.00000 0.01107 0.04183 -0.00095 142 3PX -0.00000 -0.01915 0.00000 0.00000 -0.00000 143 3PY 0.00317 0.00000 0.00089 0.00145 0.00092 144 3PZ 0.11137 0.00000 -0.00829 0.04960 0.00054 145 4S 0.17924 -0.00000 0.00493 0.05610 -0.00003 146 4PX 0.00000 -0.01585 0.00000 0.00000 -0.00000 147 4PY -0.00098 0.00000 0.00017 0.00122 0.00031 148 4PZ 0.09768 0.00000 -0.00588 0.04160 0.00068 149 5S 0.05649 0.00000 -0.00124 0.02163 0.00097 150 5PX 0.00000 -0.00040 0.00000 -0.00000 -0.00000 151 5PY -0.00397 0.00000 -0.00091 0.00063 -0.00032 152 5PZ -0.00228 0.00000 -0.00100 0.00159 0.00078 153 6D 0 -0.00316 -0.00000 0.00012 -0.00116 0.00007 154 6D+1 -0.00000 0.00048 -0.00000 0.00000 -0.00000 155 6D-1 0.00045 -0.00000 0.00018 -0.00040 0.00004 156 6D+2 -0.00006 0.00000 -0.00023 0.00033 0.00007 157 6D-2 -0.00000 -0.00049 -0.00000 -0.00000 0.00000 158 7D 0 -0.01102 -0.00000 0.00065 -0.00441 0.00021 159 7D+1 -0.00000 0.00183 -0.00000 0.00000 -0.00000 160 7D-1 0.00182 -0.00000 0.00053 -0.00097 0.00018 161 7D+2 -0.00083 0.00000 0.00023 -0.00069 0.00009 162 7D-2 -0.00000 -0.00192 0.00000 -0.00000 0.00000 163 7 H 1S -0.01219 0.00000 -0.00328 -0.00417 -0.00023 164 2S -0.01287 0.00000 -0.00459 -0.00531 -0.00066 165 3S -0.00180 -0.00000 0.00084 -0.00620 -0.00064 166 4PX -0.00000 -0.00133 -0.00000 0.00000 -0.00000 167 4PY 0.00122 -0.00000 0.00048 0.00016 0.00006 168 4PZ 0.00333 -0.00000 0.00073 0.00011 -0.00000 169 8 H 1S 0.01834 -0.00000 0.00841 -0.00686 0.00051 170 2S 0.02721 -0.00000 0.01317 -0.01143 0.00060 171 3S 0.00619 -0.00000 0.00538 -0.00771 0.00020 172 4PX 0.00000 -0.00074 0.00000 -0.00000 0.00000 173 4PY -0.00263 0.00000 -0.00099 0.00045 0.00003 174 4PZ -0.00066 -0.00000 0.00022 -0.00018 0.00008 175 9 H 1S 0.00519 -0.00000 0.00160 0.00426 0.00259 176 2S 0.01086 -0.00000 0.00252 0.00745 0.00396 177 3S -0.00407 -0.00000 0.00110 0.00021 0.00232 178 4PX -0.00000 0.00045 -0.00000 -0.00000 0.00000 179 4PY 0.00123 -0.00000 0.00016 0.00031 0.00001 180 4PZ 0.00174 -0.00000 0.00012 0.00103 0.00023 181 10 H 1S 0.01058 0.00000 -0.00912 0.00087 -0.00165 182 2S 0.01690 0.00000 -0.01282 0.00098 -0.00277 183 3S 0.00781 0.00000 -0.00241 0.00189 -0.00178 184 4PX -0.00000 0.00105 0.00000 0.00000 0.00000 185 4PY 0.00050 0.00000 -0.00136 -0.00038 -0.00021 186 4PZ 0.00056 0.00000 -0.00053 -0.00034 0.00016 187 11 H 1S -0.04009 0.00000 -0.00350 -0.00365 -0.00056 188 2S -0.05355 0.00000 -0.00424 -0.00489 -0.00104 189 3S -0.02311 0.00000 -0.00182 -0.00275 -0.00174 190 4PX 0.00000 0.00038 0.00000 0.00000 -0.00000 191 4PY -0.00388 0.00000 -0.00020 -0.00054 -0.00001 192 4PZ 0.00410 -0.00000 0.00014 0.00092 -0.00024 46 47 48 49 50 46 6D+1 0.00016 47 6D-1 -0.00000 0.00062 48 6D+2 -0.00000 0.00008 0.00032 49 6D-2 -0.00003 0.00000 0.00000 0.00013 50 7D 0 -0.00000 -0.00008 0.00016 0.00000 0.00087 51 7D+1 0.00046 -0.00000 0.00000 -0.00018 -0.00000 52 7D-1 -0.00000 0.00055 0.00012 0.00000 -0.00036 53 7D+2 0.00000 0.00008 0.00010 -0.00000 0.00029 54 7D-2 -0.00016 -0.00000 -0.00000 0.00027 0.00000 55 3 C 1S -0.00000 0.00182 0.00125 0.00000 0.00066 56 2S -0.00000 0.00282 0.00189 0.00000 0.00063 57 2PX -0.00118 -0.00000 -0.00000 0.00284 0.00000 58 2PY -0.00000 0.00504 0.00192 0.00000 -0.00308 59 2PZ 0.00000 -0.00096 -0.00301 -0.00000 -0.00622 60 3S 0.00000 -0.00759 -0.00489 -0.00000 -0.00072 61 3PX -0.00180 -0.00000 -0.00000 0.00438 0.00000 62 3PY -0.00000 0.00707 0.00268 0.00000 -0.00433 63 3PZ 0.00000 -0.00149 -0.00415 -0.00000 -0.00849 64 4S 0.00000 -0.00374 -0.00157 -0.00000 0.00002 65 4PX -0.00159 -0.00000 -0.00000 0.00336 0.00000 66 4PY -0.00000 0.00380 0.00110 0.00000 -0.00224 67 4PZ 0.00000 -0.00044 -0.00197 -0.00000 -0.00480 68 5S 0.00000 -0.00213 0.00002 0.00000 0.00113 69 5PX -0.00010 -0.00000 -0.00000 0.00049 0.00000 70 5PY 0.00000 -0.00001 0.00011 0.00000 0.00061 71 5PZ -0.00000 0.00016 -0.00004 0.00000 0.00027 72 6D 0 -0.00000 -0.00007 0.00020 0.00000 0.00042 73 6D+1 -0.00002 -0.00000 -0.00000 0.00012 0.00000 74 6D-1 -0.00000 0.00043 0.00012 -0.00000 -0.00030 75 6D+2 -0.00000 0.00014 0.00027 0.00000 0.00028 76 6D-2 -0.00013 0.00000 0.00000 -0.00002 0.00000 77 7D 0 -0.00000 0.00005 0.00019 0.00000 0.00044 78 7D+1 -0.00000 -0.00000 -0.00000 0.00016 0.00000 79 7D-1 -0.00000 0.00027 -0.00004 -0.00000 -0.00027 80 7D+2 0.00000 -0.00010 0.00023 0.00000 0.00028 81 7D-2 -0.00041 0.00000 0.00000 -0.00006 0.00000 82 4 C 1S 0.00000 -0.00032 0.00029 0.00000 0.00379 83 2S 0.00000 -0.00058 0.00036 0.00000 0.00412 84 2PX -0.00213 0.00000 -0.00000 0.00176 0.00000 85 2PY 0.00000 -0.00145 0.00105 0.00000 0.00340 86 2PZ 0.00000 -0.00098 0.00041 0.00000 0.00303 87 3S -0.00000 0.00198 -0.00065 -0.00000 -0.00576 88 3PX -0.00325 0.00000 -0.00000 0.00272 0.00000 89 3PY 0.00000 -0.00195 0.00146 0.00000 0.00489 90 3PZ 0.00000 -0.00138 0.00053 0.00000 0.00420 91 4S -0.00000 0.00058 -0.00037 -0.00000 -0.00212 92 4PX -0.00284 0.00000 -0.00000 0.00204 0.00000 93 4PY 0.00000 -0.00115 0.00081 0.00000 0.00196 94 4PZ 0.00000 -0.00084 0.00059 0.00000 0.00251 95 5S 0.00000 -0.00149 -0.00051 -0.00000 -0.00416 96 5PX -0.00084 0.00000 -0.00000 0.00011 0.00000 97 5PY 0.00000 -0.00042 0.00020 0.00000 -0.00004 98 5PZ 0.00000 -0.00115 0.00006 0.00000 -0.00055 99 6D 0 -0.00000 0.00009 0.00012 0.00000 0.00029 100 6D+1 -0.00000 -0.00000 0.00000 -0.00005 0.00000 101 6D-1 -0.00000 0.00014 -0.00002 -0.00000 -0.00027 102 6D+2 -0.00000 0.00002 0.00010 0.00000 0.00028 103 6D-2 0.00005 0.00000 0.00000 -0.00013 0.00000 104 7D 0 -0.00000 0.00027 0.00028 0.00000 0.00051 105 7D+1 0.00007 -0.00000 0.00000 -0.00023 -0.00000 106 7D-1 -0.00000 0.00023 0.00005 0.00000 -0.00005 107 7D+2 -0.00000 0.00027 0.00020 0.00000 0.00012 108 7D-2 0.00004 0.00000 0.00000 -0.00029 -0.00000 109 5 C 1S -0.00000 0.00004 -0.00005 -0.00000 -0.00194 110 2S -0.00000 0.00003 -0.00009 -0.00000 -0.00241 111 2PX -0.00043 -0.00000 -0.00000 -0.00001 0.00000 112 2PY -0.00000 0.00029 0.00007 0.00000 -0.00103 113 2PZ 0.00000 -0.00026 -0.00037 -0.00000 -0.00117 114 3S -0.00000 -0.00004 0.00026 0.00000 0.00479 115 3PX -0.00070 0.00000 -0.00000 0.00002 0.00000 116 3PY 0.00000 0.00016 0.00008 0.00000 -0.00149 117 3PZ 0.00000 -0.00033 -0.00048 -0.00000 -0.00150 118 4S -0.00000 0.00017 0.00018 0.00000 0.00220 119 4PX -0.00083 -0.00000 0.00000 -0.00025 0.00000 120 4PY 0.00000 0.00022 -0.00010 0.00000 -0.00069 121 4PZ 0.00000 -0.00013 -0.00036 -0.00000 -0.00046 122 5S -0.00000 0.00289 0.00024 0.00000 0.00289 123 5PX 0.00013 -0.00000 0.00000 -0.00008 -0.00000 124 5PY -0.00000 0.00022 -0.00016 -0.00000 0.00028 125 5PZ 0.00000 -0.00075 0.00003 -0.00000 -0.00108 126 6D 0 -0.00000 -0.00011 0.00003 0.00000 -0.00004 127 6D+1 0.00016 -0.00000 0.00000 -0.00011 -0.00000 128 6D-1 -0.00000 0.00015 -0.00006 -0.00000 -0.00019 129 6D+2 0.00000 -0.00008 0.00002 0.00000 -0.00013 130 6D-2 -0.00012 -0.00000 0.00000 0.00003 0.00000 131 7D 0 -0.00000 -0.00025 0.00006 0.00000 -0.00034 132 7D+1 0.00044 -0.00000 0.00000 -0.00033 -0.00000 133 7D-1 -0.00000 0.00031 -0.00017 -0.00000 -0.00026 134 7D+2 0.00000 -0.00017 0.00004 -0.00000 -0.00016 135 7D-2 -0.00031 -0.00000 -0.00000 0.00011 0.00000 136 6 N 1S 0.00000 -0.00016 -0.00004 0.00000 -0.00042 137 2S 0.00000 -0.00031 -0.00006 0.00000 -0.00039 138 2PX 0.00253 0.00000 0.00000 -0.00089 -0.00000 139 2PY 0.00000 -0.00196 0.00021 0.00000 0.00054 140 2PZ 0.00000 -0.00234 0.00032 0.00000 -0.00306 141 3S -0.00000 0.00108 0.00009 -0.00000 0.00009 142 3PX 0.00385 0.00000 0.00000 -0.00134 -0.00000 143 3PY 0.00000 -0.00282 0.00030 0.00000 0.00075 144 3PZ 0.00000 -0.00345 0.00042 0.00000 -0.00453 145 4S 0.00000 -0.00095 0.00029 0.00000 -0.00180 146 4PX 0.00319 0.00000 0.00000 -0.00120 -0.00000 147 4PY 0.00000 -0.00172 0.00014 0.00000 0.00041 148 4PZ 0.00000 -0.00248 0.00045 0.00000 -0.00342 149 5S 0.00000 -0.00063 0.00097 0.00000 -0.00105 150 5PX 0.00012 0.00000 0.00000 -0.00051 -0.00000 151 5PY 0.00000 -0.00026 -0.00013 -0.00000 0.00013 152 5PZ 0.00000 -0.00008 0.00016 0.00000 0.00021 153 6D 0 -0.00000 0.00009 0.00001 0.00000 0.00011 154 6D+1 -0.00009 -0.00000 -0.00000 0.00001 0.00000 155 6D-1 -0.00000 0.00017 0.00000 0.00000 -0.00002 156 6D+2 0.00000 -0.00004 0.00002 0.00000 -0.00006 157 6D-2 -0.00008 0.00000 0.00000 -0.00001 0.00000 158 7D 0 -0.00000 0.00038 0.00007 0.00000 0.00048 159 7D+1 -0.00036 -0.00000 -0.00000 0.00004 0.00000 160 7D-1 -0.00000 0.00034 0.00003 0.00000 -0.00001 161 7D+2 0.00000 0.00016 0.00005 0.00000 0.00004 162 7D-2 -0.00032 0.00000 0.00000 -0.00004 0.00000 163 7 H 1S -0.00000 0.00055 -0.00022 -0.00000 -0.00036 164 2S -0.00000 0.00105 -0.00034 -0.00000 -0.00075 165 3S -0.00000 0.00111 -0.00037 -0.00000 -0.00101 166 4PX -0.00005 0.00000 0.00000 -0.00001 0.00000 167 4PY 0.00000 -0.00003 0.00001 0.00000 -0.00001 168 4PZ 0.00000 -0.00005 -0.00002 -0.00000 -0.00006 169 8 H 1S 0.00000 -0.00061 0.00022 0.00000 0.00001 170 2S 0.00000 -0.00094 0.00031 0.00000 0.00010 171 3S 0.00000 -0.00116 -0.00020 -0.00000 0.00072 172 4PX -0.00019 0.00000 -0.00000 0.00015 0.00000 173 4PY 0.00000 -0.00005 -0.00002 0.00000 0.00020 174 4PZ 0.00000 -0.00008 0.00006 0.00000 0.00011 175 9 H 1S 0.00000 -0.00084 0.00174 0.00000 0.00540 176 2S 0.00000 -0.00120 0.00286 0.00000 0.00800 177 3S -0.00000 0.00037 0.00174 0.00000 0.00336 178 4PX -0.00011 -0.00000 -0.00000 0.00024 0.00000 179 4PY -0.00000 0.00024 0.00008 0.00000 -0.00014 180 4PZ 0.00000 -0.00026 0.00013 0.00000 0.00063 181 10 H 1S -0.00000 0.00412 -0.00272 -0.00000 -0.00094 182 2S -0.00000 0.00639 -0.00392 -0.00000 -0.00157 183 3S -0.00000 0.00297 -0.00077 -0.00000 -0.00136 184 4PX 0.00011 -0.00000 0.00000 0.00019 0.00000 185 4PY -0.00000 0.00034 -0.00049 -0.00000 -0.00007 186 4PZ -0.00000 0.00039 -0.00009 0.00000 0.00008 187 11 H 1S 0.00000 -0.00292 -0.00012 -0.00000 0.00134 188 2S 0.00000 -0.00437 -0.00008 -0.00000 0.00185 189 3S 0.00000 -0.00203 -0.00065 -0.00000 -0.00002 190 4PX 0.00024 0.00000 -0.00000 0.00003 -0.00000 191 4PY 0.00000 -0.00027 0.00003 0.00000 0.00022 192 4PZ -0.00000 0.00020 -0.00008 -0.00000 -0.00028 51 52 53 54 55 51 7D+1 0.00141 52 7D-1 -0.00000 0.00128 53 7D+2 0.00000 0.00001 0.00032 54 7D-2 -0.00063 -0.00000 -0.00000 0.00068 55 3 C 1S -0.00000 0.00673 0.00362 0.00000 0.65863 56 2S -0.00000 0.00663 0.00417 0.00000 0.56037 57 2PX -0.00528 -0.00000 -0.00000 0.00634 -0.00000 58 2PY -0.00000 0.00446 -0.00228 -0.00000 0.00000 59 2PZ -0.00000 0.00135 -0.00321 -0.00000 -0.00066 60 3S 0.00000 -0.00594 -0.00681 -0.00000 -0.07932 61 3PX -0.00807 -0.00000 -0.00000 0.00979 -0.00000 62 3PY -0.00000 0.00613 -0.00321 -0.00000 0.00000 63 3PZ -0.00000 0.00175 -0.00449 -0.00000 -0.00059 64 4S 0.00000 -0.00362 -0.00242 -0.00000 -0.04891 65 4PX -0.00686 -0.00000 -0.00000 0.00754 0.00000 66 4PY -0.00000 0.00352 -0.00152 -0.00000 -0.00000 67 4PZ 0.00000 0.00064 -0.00176 -0.00000 0.00139 68 5S 0.00000 -0.00293 -0.00141 -0.00000 0.01921 69 5PX -0.00059 -0.00000 -0.00000 0.00109 0.00000 70 5PY -0.00000 0.00040 0.00039 0.00000 -0.00000 71 5PZ 0.00000 -0.00041 -0.00008 -0.00000 0.01080 72 6D 0 -0.00000 -0.00006 0.00007 0.00000 -0.00026 73 6D+1 -0.00014 -0.00000 -0.00000 0.00026 -0.00000 74 6D-1 -0.00000 0.00031 -0.00023 -0.00000 0.00000 75 6D+2 0.00000 0.00009 0.00023 0.00000 0.00119 76 6D-2 -0.00032 0.00000 0.00000 0.00010 0.00000 77 7D 0 -0.00000 0.00013 -0.00001 0.00000 -0.00008 78 7D+1 -0.00010 -0.00000 -0.00000 0.00035 0.00000 79 7D-1 0.00000 0.00026 -0.00015 -0.00000 -0.00000 80 7D+2 0.00000 0.00001 -0.00002 -0.00000 -0.00040 81 7D-2 -0.00101 0.00000 -0.00000 0.00032 -0.00000 82 4 C 1S -0.00000 0.00027 0.00142 0.00000 0.00534 83 2S 0.00000 -0.00027 0.00202 0.00000 0.00830 84 2PX -0.00667 0.00000 -0.00000 0.00570 -0.00000 85 2PY 0.00000 -0.00168 0.00400 0.00000 0.01656 86 2PZ 0.00000 -0.00086 0.00117 0.00000 0.01021 87 3S -0.00000 0.00304 -0.00489 -0.00000 -0.01961 88 3PX -0.01019 0.00000 -0.00000 0.00879 -0.00000 89 3PY 0.00000 -0.00219 0.00562 0.00000 0.02648 90 3PZ 0.00000 -0.00116 0.00164 0.00000 0.01666 91 4S -0.00000 0.00173 -0.00241 -0.00000 -0.01396 92 4PX -0.00874 0.00000 -0.00000 0.00690 -0.00000 93 4PY 0.00000 -0.00093 0.00268 0.00000 0.01241 94 4PZ 0.00000 -0.00037 0.00074 0.00000 0.00930 95 5S -0.00000 0.00095 0.00140 -0.00000 -0.00733 96 5PX -0.00241 0.00000 -0.00000 0.00078 -0.00000 97 5PY 0.00000 -0.00020 -0.00030 -0.00000 0.00028 98 5PZ 0.00000 0.00010 0.00028 -0.00000 -0.00179 99 6D 0 0.00000 -0.00001 0.00008 0.00000 0.00062 100 6D+1 0.00007 -0.00000 0.00000 -0.00004 0.00000 101 6D-1 -0.00000 0.00023 -0.00027 -0.00000 -0.00182 102 6D+2 -0.00000 -0.00005 0.00020 0.00000 0.00125 103 6D-2 0.00023 -0.00000 0.00000 -0.00029 0.00000 104 7D 0 0.00000 0.00005 0.00012 0.00000 0.00066 105 7D+1 0.00046 -0.00000 0.00000 -0.00033 0.00000 106 7D-1 -0.00000 0.00038 -0.00012 0.00000 -0.00673 107 7D+2 -0.00000 0.00012 0.00015 0.00000 0.00362 108 7D-2 0.00033 0.00000 0.00000 -0.00058 0.00000 109 5 C 1S -0.00000 0.00230 0.00015 -0.00000 -0.00104 110 2S -0.00000 0.00315 -0.00006 -0.00000 -0.00164 111 2PX -0.00037 -0.00000 -0.00000 0.00164 0.00000 112 2PY -0.00000 0.00294 0.00044 -0.00000 -0.00095 113 2PZ 0.00000 -0.00204 0.00019 -0.00000 -0.00434 114 3S 0.00000 -0.00743 0.00108 0.00000 0.00422 115 3PX -0.00072 -0.00000 -0.00000 0.00260 0.00000 116 3PY -0.00000 0.00401 0.00056 -0.00000 -0.00146 117 3PZ 0.00000 -0.00279 0.00029 -0.00000 -0.00406 118 4S 0.00000 -0.00416 0.00096 0.00000 0.00920 119 4PX -0.00119 -0.00000 -0.00000 0.00165 0.00000 120 4PY -0.00000 0.00205 -0.00001 -0.00000 -0.00487 121 4PZ 0.00000 -0.00082 -0.00012 -0.00000 -0.00179 122 5S 0.00000 -0.00145 -0.00151 0.00000 -0.00424 123 5PX 0.00061 -0.00000 -0.00000 0.00009 -0.00000 124 5PY -0.00000 0.00043 0.00037 0.00000 0.00222 125 5PZ -0.00000 -0.00009 0.00019 -0.00000 0.00122 126 6D 0 -0.00000 -0.00006 -0.00005 0.00000 -0.00005 127 6D+1 0.00053 -0.00000 0.00000 -0.00033 0.00000 128 6D-1 -0.00000 0.00038 -0.00015 -0.00000 -0.00060 129 6D+2 0.00000 0.00012 -0.00004 -0.00000 0.00009 130 6D-2 -0.00040 0.00000 -0.00000 0.00008 0.00000 131 7D 0 -0.00000 -0.00028 -0.00009 0.00000 -0.00073 132 7D+1 0.00145 -0.00000 0.00000 -0.00097 0.00000 133 7D-1 -0.00000 0.00062 -0.00052 -0.00000 -0.00464 134 7D+2 0.00000 -0.00026 -0.00004 -0.00000 -0.00213 135 7D-2 -0.00098 -0.00000 -0.00000 0.00035 -0.00000 136 6 N 1S 0.00000 -0.00280 0.00024 -0.00000 -0.00062 137 2S 0.00000 -0.00308 0.00006 -0.00000 -0.00091 138 2PX 0.00836 0.00000 0.00000 -0.00225 -0.00000 139 2PY 0.00000 -0.00713 0.00019 0.00000 0.00000 140 2PZ -0.00000 -0.00001 -0.00039 -0.00000 -0.00259 141 3S -0.00000 0.00437 0.00085 0.00000 0.00236 142 3PX 0.01269 0.00000 0.00000 -0.00340 -0.00000 143 3PY 0.00000 -0.01034 0.00025 0.00000 0.00000 144 3PZ -0.00000 -0.00009 -0.00062 -0.00000 -0.00309 145 4S -0.00000 0.00404 -0.00004 -0.00000 -0.01427 146 4PX 0.01058 0.00000 0.00000 -0.00301 0.00000 147 4PY 0.00000 -0.00586 0.00001 0.00000 -0.00000 148 4PZ -0.00000 0.00051 -0.00028 -0.00000 0.00141 149 5S -0.00000 0.00112 0.00064 -0.00000 0.00407 150 5PX 0.00066 0.00000 0.00000 -0.00113 -0.00000 151 5PY 0.00000 -0.00011 -0.00001 0.00000 0.00000 152 5PZ -0.00000 0.00044 -0.00005 0.00000 -0.00055 153 6D 0 -0.00000 0.00008 0.00001 0.00000 0.00014 154 6D+1 -0.00030 -0.00000 -0.00000 0.00003 0.00000 155 6D-1 -0.00000 0.00062 0.00001 -0.00000 -0.00000 156 6D+2 0.00000 0.00003 -0.00000 -0.00000 0.00001 157 6D-2 -0.00020 0.00000 -0.00000 0.00006 0.00000 158 7D 0 -0.00000 0.00026 0.00012 0.00000 0.00100 159 7D+1 -0.00114 -0.00000 -0.00000 0.00012 -0.00000 160 7D-1 -0.00000 0.00106 0.00004 -0.00000 -0.00000 161 7D+2 0.00000 0.00023 0.00010 -0.00000 0.00127 162 7D-2 -0.00080 0.00000 -0.00000 0.00025 0.00000 163 7 H 1S -0.00000 0.00021 0.00031 0.00000 -0.00245 164 2S -0.00000 0.00052 0.00052 -0.00000 -0.00375 165 3S -0.00000 0.00156 -0.00032 -0.00000 -0.00279 166 4PX -0.00008 -0.00000 -0.00000 0.00013 -0.00000 167 4PY -0.00000 0.00017 -0.00008 -0.00000 0.00004 168 4PZ 0.00000 -0.00002 -0.00007 -0.00000 0.00041 169 8 H 1S 0.00000 -0.00064 0.00135 0.00000 0.00385 170 2S 0.00000 -0.00118 0.00209 0.00000 0.00606 171 3S 0.00000 -0.00157 0.00102 0.00000 0.00495 172 4PX -0.00060 0.00000 -0.00000 0.00048 -0.00000 173 4PY 0.00000 -0.00004 -0.00003 0.00000 0.00076 174 4PZ 0.00000 -0.00006 0.00016 0.00000 0.00125 175 9 H 1S 0.00000 -0.00225 0.00123 0.00000 -0.02043 176 2S 0.00000 -0.00325 0.00201 0.00000 -0.03183 177 3S 0.00000 -0.00032 0.00146 0.00000 0.00239 178 4PX -0.00047 -0.00000 -0.00000 0.00053 0.00000 179 4PY -0.00000 0.00024 -0.00009 -0.00000 0.00000 180 4PZ 0.00000 -0.00044 0.00004 0.00000 -0.00642 181 10 H 1S -0.00000 0.00042 0.00088 0.00000 0.00385 182 2S -0.00000 0.00098 0.00132 0.00000 0.00606 183 3S -0.00000 0.00203 -0.00013 -0.00000 0.00495 184 4PX 0.00014 0.00000 -0.00000 0.00025 0.00000 185 4PY 0.00000 -0.00016 0.00014 0.00000 -0.00076 186 4PZ -0.00000 0.00010 0.00012 0.00000 0.00125 187 11 H 1S 0.00000 -0.00690 -0.00133 -0.00000 -0.00245 188 2S 0.00000 -0.01022 -0.00179 -0.00000 -0.00375 189 3S 0.00000 -0.00448 -0.00068 -0.00000 -0.00279 190 4PX 0.00063 0.00000 0.00000 -0.00010 0.00000 191 4PY 0.00000 -0.00065 -0.00013 0.00000 -0.00004 192 4PZ -0.00000 0.00059 0.00006 -0.00000 0.00041 56 57 58 59 60 56 2S 0.48984 57 2PX -0.00000 0.06435 58 2PY 0.00000 -0.00000 0.09377 59 2PZ -0.00114 -0.00000 -0.00000 0.09150 60 3S -0.14228 0.00000 -0.00000 0.00591 0.43800 61 3PX -0.00000 0.09922 -0.00000 -0.00000 0.00000 62 3PY 0.00000 -0.00000 0.13189 -0.00000 -0.00000 63 3PZ -0.00273 -0.00000 -0.00000 0.12445 0.01632 64 4S -0.07592 -0.00000 0.00000 -0.01847 0.20185 65 4PX 0.00000 0.07689 -0.00000 -0.00000 -0.00000 66 4PY -0.00000 -0.00000 0.06476 -0.00000 0.00000 67 4PZ 0.00418 -0.00000 -0.00000 0.06133 -0.01568 68 5S 0.01144 0.00000 -0.00000 0.01712 0.02528 69 5PX 0.00000 0.01084 0.00000 -0.00000 -0.00000 70 5PY -0.00000 0.00000 -0.00206 -0.00000 0.00000 71 5PZ 0.01226 -0.00000 -0.00000 0.00905 -0.01919 72 6D 0 -0.00084 -0.00000 0.00000 -0.00472 0.00348 73 6D+1 -0.00000 0.00258 -0.00000 -0.00000 0.00000 74 6D-1 0.00000 -0.00000 0.00780 -0.00000 -0.00000 75 6D+2 0.00262 -0.00000 0.00000 -0.00342 -0.00939 76 6D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 77 7D 0 0.00074 -0.00000 0.00000 -0.00019 -0.00467 78 7D+1 0.00000 0.00343 -0.00000 -0.00000 -0.00000 79 7D-1 -0.00000 -0.00000 0.00342 -0.00000 0.00000 80 7D+2 0.00007 0.00000 0.00000 -0.00103 -0.00215 81 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 82 4 C 1S 0.00830 0.00000 -0.01676 -0.00979 -0.01976 83 2S 0.01274 0.00000 -0.02697 -0.01574 -0.03071 84 2PX -0.00000 0.04381 0.00000 0.00000 0.00000 85 2PY 0.02665 0.00000 -0.05122 -0.03090 -0.07604 86 2PZ 0.01644 0.00000 -0.03468 -0.01596 -0.04645 87 3S -0.03050 -0.00000 0.07655 0.04459 0.07726 88 3PX -0.00000 0.06758 0.00000 0.00000 0.00000 89 3PY 0.03990 0.00000 -0.07180 -0.04420 -0.10553 90 3PZ 0.02485 0.00000 -0.04894 -0.02223 -0.06435 91 4S -0.01806 -0.00000 0.03019 0.02617 0.03497 92 4PX -0.00000 0.05196 0.00000 0.00000 0.00000 93 4PY 0.01864 0.00000 -0.03396 -0.02127 -0.04948 94 4PZ 0.01226 0.00000 -0.02292 -0.01604 -0.02651 95 5S -0.00418 0.00000 -0.02486 -0.01589 -0.00835 96 5PX 0.00000 0.00485 -0.00000 -0.00000 -0.00000 97 5PY -0.00118 -0.00000 0.00333 0.00421 0.00789 98 5PZ -0.00352 0.00000 -0.00820 -0.00269 0.01247 99 6D 0 0.00092 -0.00000 0.00006 -0.00314 -0.00251 100 6D+1 0.00000 -0.00118 -0.00000 -0.00000 -0.00000 101 6D-1 -0.00282 -0.00000 0.00504 0.00096 0.00759 102 6D+2 0.00189 0.00000 -0.00192 -0.00301 -0.00489 103 6D-2 0.00000 -0.00284 -0.00000 -0.00000 -0.00000 104 7D 0 0.00063 -0.00000 0.00308 -0.00622 -0.00072 105 7D+1 0.00000 -0.00528 -0.00000 0.00000 -0.00000 106 7D-1 -0.00663 -0.00000 0.00446 -0.00135 0.00594 107 7D+2 0.00417 0.00000 0.00228 -0.00321 -0.00681 108 7D-2 0.00000 -0.00634 0.00000 -0.00000 -0.00000 109 5 C 1S -0.00164 -0.00000 0.00248 0.00308 0.00434 110 2S -0.00266 -0.00000 0.00393 0.00497 0.00776 111 2PX 0.00000 0.00029 -0.00000 -0.00000 -0.00000 112 2PY -0.00155 -0.00000 0.00298 0.00047 0.00424 113 2PZ -0.00689 -0.00000 0.00803 0.00942 0.02055 114 3S 0.00764 0.00000 -0.01219 -0.01482 -0.02600 115 3PX 0.00000 0.00144 -0.00000 -0.00000 -0.00000 116 3PY -0.00254 -0.00000 0.00263 0.00164 0.00754 117 3PZ -0.00809 -0.00000 0.01138 0.01243 0.02933 118 4S 0.00987 0.00000 -0.00416 -0.01233 -0.01437 119 4PX 0.00000 -0.00364 -0.00000 -0.00000 -0.00000 120 4PY -0.00608 -0.00000 0.00426 0.00439 0.01205 121 4PZ -0.00381 -0.00000 0.00400 0.01147 0.01428 122 5S -0.00419 -0.00000 0.03685 0.00838 0.00153 123 5PX -0.00000 -0.00233 0.00000 0.00000 0.00000 124 5PY 0.00326 0.00000 -0.00600 -0.00180 -0.00818 125 5PZ 0.00082 0.00000 -0.00403 0.00041 0.00181 126 6D 0 0.00007 0.00000 -0.00032 0.00012 -0.00070 127 6D+1 0.00000 -0.00282 -0.00000 -0.00000 -0.00000 128 6D-1 -0.00102 -0.00000 0.00235 0.00174 0.00302 129 6D+2 0.00005 -0.00000 -0.00007 0.00007 0.00013 130 6D-2 0.00000 0.00110 -0.00000 -0.00000 -0.00000 131 7D 0 -0.00077 0.00000 0.00082 0.00061 0.00086 132 7D+1 0.00000 -0.00844 -0.00000 -0.00000 -0.00000 133 7D-1 -0.00553 -0.00000 0.00593 0.00471 0.00979 134 7D+2 -0.00182 -0.00000 0.00020 -0.00066 0.00037 135 7D-2 -0.00000 0.00336 0.00000 -0.00000 0.00000 136 6 N 1S -0.00086 0.00000 -0.00000 0.00124 0.00066 137 2S -0.00138 0.00000 -0.00000 0.00210 0.00205 138 2PX -0.00000 -0.02752 0.00000 0.00000 0.00000 139 2PY 0.00000 0.00000 -0.00630 -0.00000 -0.00000 140 2PZ -0.00408 0.00000 -0.00000 0.00568 0.01191 141 3S 0.00391 -0.00000 0.00000 -0.00680 -0.00892 142 3PX -0.00000 -0.04155 0.00000 0.00000 0.00000 143 3PY 0.00000 0.00000 -0.00866 -0.00000 -0.00000 144 3PZ -0.00557 0.00000 -0.00000 0.00924 0.01845 145 4S -0.01339 0.00000 -0.00000 0.00230 0.01142 146 4PX -0.00000 -0.03632 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 -0.00614 -0.00000 -0.00000 148 4PZ -0.00045 0.00000 -0.00000 0.00455 0.01020 149 5S 0.00639 -0.00000 0.00000 -0.01139 -0.01710 150 5PX -0.00000 -0.01125 0.00000 0.00000 -0.00000 151 5PY 0.00000 0.00000 -0.00476 0.00000 0.00000 152 5PZ -0.00025 0.00000 0.00000 0.00036 -0.00143 153 6D 0 0.00021 -0.00000 0.00000 -0.00024 -0.00062 154 6D+1 0.00000 0.00052 -0.00000 -0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 0.00054 -0.00000 0.00000 156 6D+2 0.00002 0.00000 0.00000 -0.00001 -0.00014 157 6D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 7D 0 0.00155 -0.00000 0.00000 -0.00191 -0.00437 159 7D+1 -0.00000 0.00199 -0.00000 -0.00000 -0.00000 160 7D-1 -0.00000 -0.00000 0.00200 -0.00000 0.00000 161 7D+2 0.00146 0.00000 0.00000 -0.00154 -0.00244 162 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 163 7 H 1S -0.00396 -0.00000 0.00781 0.00461 0.01135 164 2S -0.00538 -0.00000 0.01291 0.00575 0.01355 165 3S -0.00460 -0.00000 0.01370 0.00818 0.01356 166 4PX -0.00000 -0.00007 0.00000 0.00000 0.00000 167 4PY 0.00006 0.00000 -0.00043 -0.00005 -0.00020 168 4PZ 0.00024 0.00000 -0.00002 0.00068 0.00064 169 8 H 1S 0.00654 0.00000 -0.01306 -0.00164 -0.02116 170 2S 0.01090 0.00000 -0.02168 -0.00195 -0.03640 171 3S 0.00650 0.00000 -0.02276 0.00157 -0.01403 172 4PX -0.00000 0.00367 0.00000 -0.00000 -0.00000 173 4PY 0.00058 0.00000 -0.00141 -0.00074 0.00058 174 4PZ 0.00162 0.00000 -0.00204 -0.00112 -0.00361 175 9 H 1S -0.03200 -0.00000 0.00000 -0.07651 0.08404 176 2S -0.04683 -0.00000 0.00000 -0.11556 0.11385 177 3S 0.00318 -0.00000 0.00000 -0.04305 -0.00819 178 4PX -0.00000 0.00540 -0.00000 -0.00000 0.00000 179 4PY 0.00000 -0.00000 0.00412 0.00000 -0.00000 180 4PZ -0.00863 -0.00000 0.00000 -0.00979 0.01862 181 10 H 1S 0.00654 -0.00000 0.01306 -0.00164 -0.02116 182 2S 0.01090 -0.00000 0.02168 -0.00195 -0.03640 183 3S 0.00650 -0.00000 0.02276 0.00157 -0.01403 184 4PX 0.00000 0.00367 0.00000 -0.00000 0.00000 185 4PY -0.00058 0.00000 -0.00141 0.00074 -0.00058 186 4PZ 0.00162 -0.00000 0.00204 -0.00112 -0.00361 187 11 H 1S -0.00396 0.00000 -0.00781 0.00461 0.01135 188 2S -0.00538 0.00000 -0.01291 0.00575 0.01355 189 3S -0.00460 0.00000 -0.01370 0.00818 0.01356 190 4PX 0.00000 -0.00007 0.00000 -0.00000 -0.00000 191 4PY -0.00006 0.00000 -0.00043 0.00005 0.00020 192 4PZ 0.00024 0.00000 0.00002 0.00068 0.00064 61 62 63 64 65 61 3PX 0.15299 62 3PY -0.00000 0.18562 63 3PZ -0.00000 -0.00000 0.16947 64 4S -0.00000 0.00000 -0.02099 0.10913 65 4PX 0.11849 -0.00000 -0.00000 -0.00000 0.09250 66 4PY -0.00000 0.09111 -0.00000 0.00000 -0.00000 67 4PZ -0.00000 -0.00000 0.08310 -0.01544 -0.00000 68 5S 0.00000 -0.00000 0.02454 0.01422 0.00000 69 5PX 0.01675 0.00000 -0.00000 -0.00000 0.01262 70 5PY 0.00000 -0.00285 -0.00000 0.00000 -0.00000 71 5PZ -0.00000 -0.00000 0.01197 -0.01101 -0.00000 72 6D 0 -0.00000 0.00000 -0.00631 0.00245 -0.00000 73 6D+1 0.00398 -0.00000 -0.00000 0.00000 0.00300 74 6D-1 -0.00000 0.01098 -0.00000 -0.00000 -0.00000 75 6D+2 -0.00000 0.00000 -0.00480 -0.00360 0.00000 76 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 77 7D 0 -0.00000 0.00000 -0.00033 -0.00371 -0.00000 78 7D+1 0.00531 -0.00000 -0.00000 -0.00000 0.00390 79 7D-1 -0.00000 0.00482 -0.00000 0.00000 -0.00000 80 7D+2 0.00000 0.00000 -0.00139 -0.00139 0.00000 81 7D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 4 C 1S 0.00000 -0.02732 -0.01518 -0.00230 0.00000 83 2S 0.00000 -0.04079 -0.02312 -0.00673 0.00000 84 2PX 0.06768 0.00000 0.00000 0.00000 0.05116 85 2PY 0.00000 -0.07245 -0.04374 -0.02591 0.00000 86 2PZ 0.00000 -0.04897 -0.02205 -0.02023 0.00000 87 3S -0.00000 0.10620 0.06151 0.02539 -0.00000 88 3PX 0.10441 0.00000 0.00000 0.00000 0.07888 89 3PY 0.00000 -0.10154 -0.06248 -0.03580 0.00000 90 3PZ 0.00000 -0.06913 -0.03072 -0.02834 0.00000 91 4S -0.00000 0.04187 0.03587 0.00152 -0.00000 92 4PX 0.08022 0.00000 0.00000 0.00000 0.06105 93 4PY 0.00000 -0.04813 -0.02992 -0.01178 0.00000 94 4PZ 0.00000 -0.03228 -0.02182 -0.01209 -0.00000 95 5S 0.00000 -0.03511 -0.02161 0.01200 0.00000 96 5PX 0.00737 -0.00000 -0.00000 -0.00000 0.00675 97 5PY -0.00000 0.00467 0.00594 0.00408 -0.00000 98 5PZ 0.00000 -0.01151 -0.00316 0.01130 0.00000 99 6D 0 -0.00000 0.00005 -0.00430 -0.00077 -0.00000 100 6D+1 -0.00180 -0.00000 -0.00000 -0.00000 -0.00159 101 6D-1 -0.00000 0.00707 0.00149 0.00374 -0.00000 102 6D+2 0.00000 -0.00268 -0.00415 -0.00157 0.00000 103 6D-2 -0.00438 -0.00000 -0.00000 -0.00000 -0.00336 104 7D 0 -0.00000 0.00433 -0.00849 0.00002 -0.00000 105 7D+1 -0.00807 -0.00000 0.00000 -0.00000 -0.00686 106 7D-1 -0.00000 0.00613 -0.00175 0.00362 -0.00000 107 7D+2 0.00000 0.00321 -0.00449 -0.00242 0.00000 108 7D-2 -0.00979 0.00000 -0.00000 -0.00000 -0.00754 109 5 C 1S -0.00000 0.00247 0.00346 0.01999 0.00000 110 2S -0.00000 0.00467 0.00642 0.02239 -0.00000 111 2PX 0.00092 -0.00000 -0.00000 -0.00000 -0.00391 112 2PY -0.00000 0.00302 0.00120 0.01534 -0.00000 113 2PZ -0.00000 0.01188 0.01272 0.00626 -0.00000 114 3S 0.00000 -0.01705 -0.02177 -0.03418 0.00000 115 3PX 0.00293 -0.00000 -0.00000 -0.00000 -0.00477 116 3PY -0.00000 0.00212 0.00309 0.02225 -0.00000 117 3PZ -0.00000 0.01683 0.01674 0.00889 -0.00000 118 4S 0.00000 -0.00592 -0.01745 -0.00510 0.00000 119 4PX -0.00513 -0.00000 -0.00000 -0.00000 -0.00874 120 4PY -0.00000 0.00530 0.00640 0.00755 -0.00000 121 4PZ -0.00000 0.00586 0.01545 0.00014 0.00000 122 5S -0.00000 0.05239 0.01073 -0.01852 -0.00000 123 5PX -0.00345 0.00000 0.00000 0.00000 -0.00406 124 5PY 0.00000 -0.00868 -0.00263 -0.00388 0.00000 125 5PZ 0.00000 -0.00565 0.00072 0.00501 0.00000 126 6D 0 0.00000 -0.00047 0.00022 0.00028 0.00000 127 6D+1 -0.00433 -0.00000 -0.00000 -0.00000 -0.00347 128 6D-1 -0.00000 0.00321 0.00246 0.00188 -0.00000 129 6D+2 -0.00000 -0.00012 0.00019 0.00153 -0.00000 130 6D-2 0.00166 -0.00000 -0.00000 0.00000 0.00166 131 7D 0 0.00000 0.00124 0.00100 0.00254 0.00000 132 7D+1 -0.01297 -0.00000 -0.00000 -0.00000 -0.01037 133 7D-1 -0.00000 0.00825 0.00657 0.00322 -0.00000 134 7D+2 -0.00000 0.00033 -0.00077 0.00215 -0.00000 135 7D-2 0.00512 0.00000 -0.00000 0.00000 0.00460 136 6 N 1S 0.00000 -0.00000 0.00269 0.03112 0.00000 137 2S 0.00000 -0.00000 0.00394 0.03378 0.00000 138 2PX -0.04169 0.00000 0.00000 0.00000 -0.03967 139 2PY 0.00000 -0.00731 -0.00000 -0.00000 0.00000 140 2PZ 0.00000 -0.00000 0.00938 0.02609 0.00000 141 3S -0.00000 0.00000 -0.01065 -0.04449 -0.00000 142 3PX -0.06292 0.00000 0.00000 0.00000 -0.05996 143 3PY 0.00000 -0.00990 -0.00000 -0.00000 0.00000 144 3PZ 0.00000 -0.00000 0.01501 0.03894 0.00000 145 4S 0.00000 -0.00000 0.00346 -0.01747 -0.00000 146 4PX -0.05507 0.00000 0.00000 0.00000 -0.05184 147 4PY 0.00000 -0.00738 -0.00000 -0.00000 0.00000 148 4PZ 0.00000 -0.00000 0.00800 0.02741 0.00000 149 5S -0.00000 0.00000 -0.01487 0.00712 -0.00000 150 5PX -0.01738 0.00000 0.00000 -0.00000 -0.01315 151 5PY 0.00000 -0.00680 0.00000 0.00000 0.00000 152 5PZ 0.00000 0.00000 0.00067 -0.00087 0.00000 153 6D 0 -0.00000 0.00000 -0.00036 -0.00079 -0.00000 154 6D+1 0.00076 -0.00000 -0.00000 -0.00000 0.00090 155 6D-1 -0.00000 0.00063 0.00000 0.00000 -0.00000 156 6D+2 0.00000 0.00000 0.00005 0.00100 0.00000 157 6D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 0.00000 -0.00279 -0.00400 -0.00000 159 7D+1 0.00294 -0.00000 -0.00000 -0.00000 0.00345 160 7D-1 -0.00000 0.00261 0.00000 0.00000 -0.00000 161 7D+2 0.00000 0.00000 -0.00213 -0.00027 0.00000 162 7D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S -0.00000 0.01040 0.00626 0.00580 -0.00000 164 2S -0.00000 0.01730 0.00775 0.00812 -0.00000 165 3S -0.00000 0.01887 0.01113 0.00563 -0.00000 166 4PX -0.00007 0.00000 0.00000 -0.00000 -0.00038 167 4PY 0.00000 -0.00057 -0.00004 0.00007 0.00000 168 4PZ -0.00000 0.00003 0.00093 -0.00013 0.00000 169 8 H 1S 0.00000 -0.01880 -0.00322 -0.00803 0.00000 170 2S 0.00000 -0.03106 -0.00428 -0.01551 0.00000 171 3S 0.00000 -0.03196 0.00148 -0.00926 0.00000 172 4PX 0.00566 0.00000 -0.00000 -0.00000 0.00430 173 4PY 0.00000 -0.00193 -0.00092 0.00019 -0.00000 174 4PZ 0.00000 -0.00292 -0.00161 -0.00133 0.00000 175 9 H 1S -0.00000 0.00000 -0.10229 0.05630 -0.00000 176 2S -0.00000 0.00000 -0.15466 0.08052 -0.00000 177 3S -0.00000 0.00000 -0.05848 0.00625 -0.00000 178 4PX 0.00832 -0.00000 -0.00000 0.00000 0.00648 179 4PY -0.00000 0.00580 0.00000 -0.00000 -0.00000 180 4PZ -0.00000 0.00000 -0.01295 0.01114 -0.00000 181 10 H 1S -0.00000 0.01880 -0.00322 -0.00803 -0.00000 182 2S -0.00000 0.03106 -0.00428 -0.01551 -0.00000 183 3S -0.00000 0.03196 0.00148 -0.00926 -0.00000 184 4PX 0.00566 0.00000 -0.00000 0.00000 0.00430 185 4PY 0.00000 -0.00193 0.00092 -0.00019 -0.00000 186 4PZ -0.00000 0.00292 -0.00161 -0.00133 -0.00000 187 11 H 1S 0.00000 -0.01040 0.00626 0.00580 0.00000 188 2S 0.00000 -0.01730 0.00775 0.00812 0.00000 189 3S 0.00000 -0.01887 0.01113 0.00563 0.00000 190 4PX -0.00007 0.00000 -0.00000 0.00000 -0.00038 191 4PY 0.00000 -0.00057 0.00004 -0.00007 0.00000 192 4PZ 0.00000 -0.00003 0.00093 -0.00013 -0.00000 66 67 68 69 70 66 4PY 0.04579 67 4PZ -0.00000 0.04645 68 5S -0.00000 0.01104 0.08290 69 5PX -0.00000 -0.00000 0.00000 0.00200 70 5PY -0.00191 -0.00000 -0.00000 -0.00000 0.00974 71 5PZ -0.00000 0.00711 0.01818 -0.00000 -0.00000 72 6D 0 0.00000 -0.00387 0.00136 -0.00000 0.00000 73 6D+1 -0.00000 -0.00000 0.00000 0.00047 0.00000 74 6D-1 0.00549 -0.00000 -0.00000 0.00000 -0.00111 75 6D+2 0.00000 -0.00212 -0.00004 0.00000 -0.00000 76 6D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 77 7D 0 0.00000 -0.00154 0.00426 -0.00000 -0.00000 78 7D+1 -0.00000 -0.00000 -0.00000 0.00068 0.00000 79 7D-1 0.00287 -0.00000 -0.00000 0.00000 -0.00211 80 7D+2 0.00000 -0.00143 0.00305 0.00000 -0.00000 81 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 82 4 C 1S -0.01553 -0.00070 -0.01907 -0.00000 0.00908 83 2S -0.02103 -0.00480 -0.02247 -0.00000 0.01234 84 2PX 0.00000 0.00000 0.00000 0.00801 -0.00000 85 2PY -0.03865 -0.01368 -0.01877 -0.00000 0.00625 86 2PZ -0.02100 -0.01576 0.03231 0.00000 -0.01546 87 3S 0.04794 0.02510 0.03757 0.00000 -0.02781 88 3PX 0.00000 0.00000 0.00000 0.01238 -0.00000 89 3PY -0.05376 -0.02007 -0.02537 -0.00000 0.00913 90 3PZ -0.02972 -0.02196 0.04414 0.00000 -0.02198 91 4S 0.01761 0.00931 0.01310 0.00000 -0.01266 92 4PX 0.00000 -0.00000 0.00000 0.00930 -0.00000 93 4PY -0.02608 -0.00724 -0.00910 -0.00000 0.00457 94 4PZ -0.01398 -0.01679 0.02097 0.00000 -0.01106 95 5S -0.01684 -0.00255 -0.08109 0.00000 -0.00783 96 5PX -0.00000 -0.00000 -0.00000 0.00031 -0.00000 97 5PY 0.00120 0.00305 0.01024 -0.00000 0.00334 98 5PZ -0.00613 -0.00050 -0.00878 -0.00000 0.00610 99 6D 0 0.00023 -0.00252 0.00230 0.00000 -0.00152 100 6D+1 -0.00000 0.00000 -0.00000 -0.00010 -0.00000 101 6D-1 0.00380 0.00044 0.00213 0.00000 -0.00001 102 6D+2 -0.00110 -0.00197 0.00002 0.00000 -0.00011 103 6D-2 0.00000 -0.00000 0.00000 -0.00049 -0.00000 104 7D 0 0.00224 -0.00480 0.00113 0.00000 -0.00061 105 7D+1 -0.00000 0.00000 -0.00000 -0.00059 -0.00000 106 7D-1 0.00352 -0.00064 0.00293 0.00000 0.00040 107 7D+2 0.00152 -0.00176 -0.00141 0.00000 -0.00039 108 7D-2 0.00000 -0.00000 -0.00000 -0.00109 -0.00000 109 5 C 1S -0.00004 0.00831 -0.03642 -0.00000 0.00319 110 2S 0.00092 0.01080 -0.04129 -0.00000 0.00708 111 2PX -0.00000 -0.00000 -0.00000 0.00232 -0.00000 112 2PY 0.00644 0.00803 0.03915 -0.00000 0.00561 113 2PZ 0.00389 0.01024 -0.02088 -0.00000 0.01677 114 3S -0.00643 -0.02291 0.06344 0.00000 -0.02618 115 3PX -0.00000 -0.00000 -0.00000 0.00370 -0.00000 116 3PY 0.00767 0.01150 0.05460 -0.00000 0.00808 117 3PZ 0.00537 0.01374 -0.03051 -0.00000 0.02399 118 4S -0.00128 -0.00581 0.04436 0.00000 -0.00833 119 4PX -0.00000 -0.00000 -0.00000 0.00172 -0.00000 120 4PY 0.00614 0.00374 0.02361 -0.00000 0.00366 121 4PZ 0.00169 0.00832 -0.00991 -0.00000 0.01077 122 5S 0.02502 -0.00284 0.03989 0.00000 -0.00382 123 5PX 0.00000 0.00000 -0.00000 0.00029 0.00000 124 5PY -0.00287 -0.00084 0.00141 0.00000 -0.00200 125 5PZ -0.00325 0.00272 -0.00942 -0.00000 0.00205 126 6D 0 -0.00018 -0.00014 0.00391 0.00000 -0.00154 127 6D+1 -0.00000 -0.00000 -0.00000 -0.00042 -0.00000 128 6D-1 0.00216 0.00162 0.00370 -0.00000 0.00024 129 6D+2 -0.00001 0.00054 0.00167 0.00000 -0.00021 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 131 7D 0 0.00028 0.00083 0.00376 0.00000 -0.00084 132 7D+1 -0.00000 -0.00000 -0.00000 -0.00127 0.00000 133 7D-1 0.00479 0.00267 0.00461 0.00000 0.00018 134 7D+2 0.00024 0.00012 0.00335 0.00000 -0.00092 135 7D-2 -0.00000 -0.00000 0.00000 0.00026 -0.00000 136 6 N 1S -0.00000 0.01814 0.04494 0.00000 -0.00000 137 2S -0.00000 0.02044 0.05242 0.00000 -0.00000 138 2PX 0.00000 0.00000 0.00000 -0.00102 0.00000 139 2PY -0.00975 -0.00000 -0.00000 0.00000 -0.00079 140 2PZ -0.00000 0.00947 0.03057 0.00000 0.00000 141 3S 0.00000 -0.03064 -0.08989 -0.00000 0.00000 142 3PX 0.00000 0.00000 0.00000 -0.00150 0.00000 143 3PY -0.01377 -0.00000 -0.00000 0.00000 -0.00123 144 3PZ -0.00000 0.01482 0.04597 0.00000 0.00000 145 4S 0.00000 -0.01970 -0.04770 -0.00000 0.00000 146 4PX 0.00000 0.00000 0.00000 -0.00162 0.00000 147 4PY -0.00862 -0.00000 -0.00000 0.00000 -0.00218 148 4PZ -0.00000 0.00817 0.03054 0.00000 0.00000 149 5S 0.00000 -0.00480 0.00649 -0.00000 0.00000 150 5PX 0.00000 0.00000 0.00000 -0.00205 0.00000 151 5PY -0.00313 0.00000 -0.00000 0.00000 -0.00206 152 5PZ 0.00000 -0.00181 0.00740 0.00000 0.00000 153 6D 0 0.00000 -0.00047 -0.00053 0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00006 -0.00000 155 6D-1 0.00078 0.00000 0.00000 -0.00000 0.00065 156 6D+2 0.00000 0.00035 0.00152 0.00000 0.00000 157 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 -0.00230 -0.00316 0.00000 -0.00000 159 7D+1 -0.00000 -0.00000 -0.00000 -0.00024 -0.00000 160 7D-1 0.00198 0.00000 0.00000 -0.00000 0.00181 161 7D+2 0.00000 -0.00083 -0.00185 -0.00000 0.00000 162 7D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 163 7 H 1S 0.00864 0.00675 0.02951 -0.00000 0.00608 164 2S 0.01396 0.01026 0.03920 -0.00000 0.00870 165 3S 0.01147 0.00868 0.00394 -0.00000 0.00600 166 4PX 0.00000 0.00000 0.00000 0.00015 0.00000 167 4PY -0.00061 -0.00038 -0.00323 0.00000 -0.00036 168 4PZ -0.00040 0.00020 -0.00387 -0.00000 0.00023 169 8 H 1S -0.01401 0.00458 -0.02039 -0.00000 0.00494 170 2S -0.02248 0.00718 -0.03407 -0.00000 0.00765 171 3S -0.01853 0.00293 -0.01726 -0.00000 0.00502 172 4PX -0.00000 0.00000 -0.00000 0.00066 0.00000 173 4PY -0.00036 -0.00120 0.00228 0.00000 -0.00025 174 4PZ -0.00171 -0.00049 -0.00017 0.00000 -0.00035 175 9 H 1S 0.00000 -0.05662 -0.00420 -0.00000 0.00000 176 2S 0.00000 -0.08436 -0.00550 -0.00000 0.00000 177 3S 0.00000 -0.03043 0.00198 -0.00000 0.00000 178 4PX -0.00000 -0.00000 -0.00000 0.00090 -0.00000 179 4PY 0.00291 0.00000 0.00000 -0.00000 0.00002 180 4PZ 0.00000 -0.00736 -0.00063 -0.00000 0.00000 181 10 H 1S 0.01401 0.00458 -0.02039 0.00000 -0.00494 182 2S 0.02248 0.00718 -0.03407 0.00000 -0.00765 183 3S 0.01853 0.00293 -0.01726 0.00000 -0.00502 184 4PX -0.00000 -0.00000 0.00000 0.00066 0.00000 185 4PY -0.00036 0.00120 -0.00228 0.00000 -0.00025 186 4PZ 0.00171 -0.00049 -0.00017 -0.00000 0.00035 187 11 H 1S -0.00864 0.00675 0.02951 0.00000 -0.00608 188 2S -0.01396 0.01026 0.03920 0.00000 -0.00870 189 3S -0.01147 0.00868 0.00394 0.00000 -0.00600 190 4PX 0.00000 -0.00000 -0.00000 0.00015 0.00000 191 4PY -0.00061 0.00038 0.00323 0.00000 -0.00036 192 4PZ 0.00040 0.00020 -0.00387 0.00000 -0.00023 71 72 73 74 75 71 5PZ 0.00764 72 6D 0 -0.00031 0.00046 73 6D+1 -0.00000 -0.00000 0.00011 74 6D-1 0.00000 -0.00000 -0.00000 0.00075 75 6D+2 0.00019 0.00020 -0.00000 0.00000 0.00039 76 6D-2 -0.00000 0.00000 -0.00000 -0.00000 0.00000 77 7D 0 0.00140 0.00037 -0.00000 -0.00000 0.00030 78 7D+1 -0.00000 -0.00000 0.00016 -0.00000 -0.00000 79 7D-1 0.00000 -0.00000 -0.00000 0.00051 0.00000 80 7D+2 0.00054 0.00032 -0.00000 0.00000 0.00027 81 7D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 82 4 C 1S -0.00426 0.00042 0.00000 -0.00196 0.00114 83 2S -0.00527 0.00067 0.00000 -0.00298 0.00175 84 2PX -0.00000 0.00000 0.00190 0.00000 -0.00000 85 2PY -0.00038 -0.00041 0.00000 -0.00521 0.00173 86 2PZ 0.00706 0.00298 0.00000 -0.00115 0.00283 87 3S 0.01003 -0.00194 -0.00000 0.00794 -0.00452 88 3PX -0.00000 0.00000 0.00293 0.00000 -0.00000 89 3PY -0.00045 -0.00040 0.00000 -0.00731 0.00251 90 3PZ 0.00973 0.00409 0.00000 -0.00161 0.00388 91 4S 0.00312 -0.00084 -0.00000 0.00316 -0.00224 92 4PX -0.00000 0.00000 0.00220 0.00000 -0.00000 93 4PY 0.00015 -0.00026 0.00000 -0.00355 0.00109 94 4PZ 0.00252 0.00277 0.00000 -0.00064 0.00223 95 5S -0.03139 -0.00191 0.00000 -0.00114 -0.00021 96 5PX -0.00000 0.00000 0.00008 -0.00000 -0.00000 97 5PY 0.00216 -0.00004 0.00000 -0.00016 -0.00029 98 5PZ -0.00754 0.00000 0.00000 -0.00122 -0.00012 99 6D 0 0.00051 0.00030 -0.00000 0.00015 0.00023 100 6D+1 0.00000 0.00000 -0.00002 -0.00000 0.00000 101 6D-1 -0.00016 0.00007 -0.00000 0.00043 -0.00014 102 6D+2 -0.00004 0.00020 0.00000 -0.00012 0.00027 103 6D-2 0.00000 0.00000 -0.00012 0.00000 0.00000 104 7D 0 0.00027 0.00042 -0.00000 0.00030 0.00028 105 7D+1 -0.00000 0.00000 -0.00014 -0.00000 -0.00000 106 7D-1 0.00041 0.00006 -0.00000 0.00031 -0.00009 107 7D+2 -0.00008 0.00007 -0.00000 0.00023 0.00023 108 7D-2 0.00000 0.00000 -0.00026 0.00000 0.00000 109 5 C 1S -0.01134 -0.00051 0.00000 -0.00029 -0.00020 110 2S -0.01317 -0.00082 0.00000 -0.00042 -0.00047 111 2PX -0.00000 0.00000 0.00053 -0.00000 -0.00000 112 2PY 0.00662 -0.00009 0.00000 -0.00042 0.00005 113 2PZ -0.00473 -0.00231 0.00000 -0.00107 -0.00148 114 3S 0.02203 0.00234 -0.00000 0.00099 0.00185 115 3PX -0.00000 0.00000 0.00084 -0.00000 -0.00000 116 3PY 0.00850 -0.00007 0.00000 -0.00073 0.00005 117 3PZ -0.00662 -0.00320 0.00000 -0.00154 -0.00207 118 4S 0.01643 0.00073 -0.00000 0.00020 0.00085 119 4PX -0.00000 0.00000 0.00038 -0.00000 -0.00000 120 4PY 0.00272 0.00007 0.00000 -0.00009 -0.00014 121 4PZ -0.00064 -0.00150 0.00000 -0.00081 -0.00110 122 5S 0.02296 0.00106 -0.00000 0.00330 -0.00003 123 5PX -0.00000 0.00000 0.00006 0.00000 -0.00000 124 5PY 0.00144 0.00005 0.00000 -0.00028 0.00026 125 5PZ -0.00573 -0.00055 0.00000 -0.00055 -0.00019 126 6D 0 0.00037 0.00017 -0.00000 0.00011 0.00009 127 6D+1 -0.00000 -0.00000 -0.00010 -0.00000 0.00000 128 6D-1 0.00102 -0.00003 -0.00000 0.00018 -0.00008 129 6D+2 -0.00009 0.00006 -0.00000 0.00003 0.00003 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00049 0.00011 0.00000 0.00013 0.00003 132 7D+1 -0.00000 -0.00000 -0.00030 -0.00000 0.00000 133 7D-1 0.00169 -0.00001 -0.00000 0.00052 -0.00028 134 7D+2 -0.00021 0.00013 -0.00000 0.00012 0.00009 135 7D-2 -0.00000 0.00000 0.00006 0.00000 -0.00000 136 6 N 1S 0.01312 0.00015 0.00000 -0.00000 0.00001 137 2S 0.01690 0.00019 0.00000 -0.00000 -0.00001 138 2PX 0.00000 0.00000 -0.00028 0.00000 -0.00000 139 2PY 0.00000 -0.00000 0.00000 -0.00062 -0.00000 140 2PZ -0.00769 0.00054 0.00000 -0.00000 0.00018 141 3S -0.03558 -0.00047 -0.00000 0.00000 0.00004 142 3PX 0.00000 0.00000 -0.00042 0.00000 -0.00000 143 3PY 0.00000 -0.00000 0.00000 -0.00084 -0.00000 144 3PZ -0.01074 0.00074 0.00000 -0.00000 0.00021 145 4S -0.03394 0.00059 0.00000 -0.00000 0.00014 146 4PX 0.00000 0.00000 -0.00044 0.00000 -0.00000 147 4PY 0.00000 -0.00000 0.00000 -0.00040 -0.00000 148 4PZ -0.01078 0.00081 0.00000 -0.00000 0.00038 149 5S -0.00744 0.00117 -0.00000 -0.00000 0.00125 150 5PX 0.00000 0.00000 -0.00049 0.00000 -0.00000 151 5PY 0.00000 -0.00000 0.00000 -0.00016 -0.00000 152 5PZ 0.00019 0.00062 0.00000 -0.00000 0.00029 153 6D 0 0.00029 0.00006 0.00000 -0.00000 0.00003 154 6D+1 0.00000 -0.00000 -0.00001 0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 0.00000 -0.00001 -0.00000 156 6D+2 0.00015 0.00006 0.00000 -0.00000 0.00003 157 6D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00100 0.00017 0.00000 -0.00000 0.00016 159 7D+1 0.00000 0.00000 -0.00005 0.00000 -0.00000 160 7D-1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 161 7D+2 -0.00011 0.00010 -0.00000 -0.00000 0.00010 162 7D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S 0.00810 -0.00074 0.00000 -0.00016 -0.00046 164 2S 0.01114 -0.00126 0.00000 -0.00006 -0.00065 165 3S 0.00338 -0.00108 -0.00000 0.00051 -0.00085 166 4PX 0.00000 0.00000 0.00003 -0.00000 -0.00000 167 4PY -0.00089 0.00009 -0.00000 0.00003 0.00002 168 4PZ -0.00096 -0.00006 0.00000 -0.00001 -0.00006 169 8 H 1S -0.00051 -0.00218 0.00000 -0.00215 -0.00102 170 2S -0.00084 -0.00343 0.00000 -0.00338 -0.00146 171 3S -0.00076 -0.00125 0.00000 -0.00256 -0.00043 172 4PX -0.00000 -0.00000 0.00016 -0.00000 -0.00000 173 4PY 0.00002 0.00034 0.00000 -0.00001 0.00023 174 4PZ 0.00019 -0.00004 0.00000 -0.00018 0.00004 175 9 H 1S -0.01081 0.00518 0.00000 -0.00000 0.00125 176 2S -0.01597 0.00778 0.00000 -0.00000 0.00224 177 3S -0.00234 0.00296 -0.00000 -0.00000 0.00211 178 4PX -0.00000 -0.00000 0.00021 -0.00000 0.00000 179 4PY 0.00000 -0.00000 -0.00000 0.00033 0.00000 180 4PZ -0.00190 0.00068 0.00000 -0.00000 -0.00002 181 10 H 1S -0.00051 -0.00218 -0.00000 0.00215 -0.00102 182 2S -0.00084 -0.00343 -0.00000 0.00338 -0.00146 183 3S -0.00076 -0.00125 -0.00000 0.00256 -0.00043 184 4PX -0.00000 -0.00000 0.00016 0.00000 0.00000 185 4PY -0.00002 -0.00034 0.00000 -0.00001 -0.00023 186 4PZ 0.00019 -0.00004 -0.00000 0.00018 0.00004 187 11 H 1S 0.00810 -0.00074 -0.00000 0.00016 -0.00046 188 2S 0.01114 -0.00126 -0.00000 0.00006 -0.00065 189 3S 0.00338 -0.00108 0.00000 -0.00051 -0.00085 190 4PX -0.00000 -0.00000 0.00003 0.00000 0.00000 191 4PY 0.00089 -0.00009 -0.00000 0.00003 -0.00002 192 4PZ -0.00096 -0.00006 0.00000 0.00001 -0.00006 76 77 78 79 80 76 6D-2 0.00022 77 7D 0 0.00000 0.00115 78 7D+1 -0.00000 -0.00000 0.00025 79 7D-1 -0.00000 -0.00000 -0.00000 0.00075 80 7D+2 -0.00000 0.00067 -0.00000 0.00000 0.00063 81 7D-2 0.00068 0.00000 -0.00000 -0.00000 -0.00000 82 4 C 1S 0.00000 0.00147 0.00000 -0.00570 0.00360 83 2S 0.00000 0.00111 0.00000 -0.00581 0.00389 84 2PX 0.00280 0.00000 0.00272 0.00000 -0.00000 85 2PY 0.00000 -0.00183 0.00000 -0.00391 -0.00223 86 2PZ 0.00000 0.00629 -0.00000 0.00290 0.00395 87 3S -0.00000 0.00063 -0.00000 0.00636 -0.00509 88 3PX 0.00429 0.00000 0.00421 0.00000 -0.00000 89 3PY 0.00000 -0.00235 0.00000 -0.00538 -0.00290 90 3PZ 0.00000 0.00864 -0.00000 0.00412 0.00537 91 4S -0.00000 0.00161 -0.00000 0.00251 -0.00219 92 4PX 0.00366 0.00000 0.00310 0.00000 -0.00000 93 4PY 0.00000 -0.00165 0.00000 -0.00274 -0.00191 94 4PZ 0.00000 0.00500 -0.00000 0.00210 0.00330 95 5S -0.00000 -0.00961 -0.00000 0.00088 -0.00391 96 5PX 0.00078 0.00000 -0.00005 0.00000 -0.00000 97 5PY -0.00000 0.00018 0.00000 -0.00084 -0.00003 98 5PZ -0.00000 -0.00200 0.00000 -0.00156 -0.00033 99 6D 0 0.00000 0.00046 -0.00000 0.00036 0.00023 100 6D+1 0.00013 0.00000 -0.00000 -0.00000 -0.00000 101 6D-1 -0.00000 -0.00005 -0.00000 0.00027 0.00010 102 6D+2 0.00000 0.00019 0.00000 0.00004 0.00023 103 6D-2 -0.00002 0.00000 -0.00016 0.00000 0.00000 104 7D 0 0.00000 0.00044 -0.00000 0.00027 0.00028 105 7D+1 0.00032 0.00000 -0.00010 -0.00000 -0.00000 106 7D-1 -0.00000 -0.00013 -0.00000 0.00026 -0.00001 107 7D+2 0.00000 -0.00001 0.00000 0.00015 -0.00002 108 7D-2 0.00010 0.00000 -0.00035 0.00000 -0.00000 109 5 C 1S -0.00000 -0.00292 0.00000 -0.00298 -0.00305 110 2S -0.00000 -0.00394 0.00000 -0.00312 -0.00331 111 2PX 0.00283 0.00000 0.00140 -0.00000 -0.00000 112 2PY -0.00000 -0.00135 -0.00000 0.00075 0.00018 113 2PZ -0.00000 -0.00473 0.00000 -0.00404 -0.00165 114 3S 0.00000 0.00884 -0.00000 0.00377 0.00456 115 3PX 0.00435 0.00000 0.00218 -0.00000 -0.00000 116 3PY -0.00000 -0.00184 -0.00000 0.00088 0.00028 117 3PZ -0.00000 -0.00657 0.00000 -0.00581 -0.00234 118 4S 0.00000 0.00252 -0.00000 0.00135 0.00141 119 4PX 0.00368 0.00000 0.00123 -0.00000 -0.00000 120 4PY -0.00000 -0.00013 -0.00000 0.00054 0.00071 121 4PZ -0.00000 -0.00198 0.00000 -0.00257 -0.00074 122 5S 0.00000 0.00739 -0.00000 0.00156 0.00225 123 5PX 0.00049 0.00000 0.00029 -0.00000 -0.00000 124 5PY 0.00000 0.00031 -0.00000 0.00060 0.00021 125 5PZ -0.00000 -0.00225 0.00000 -0.00068 -0.00070 126 6D 0 0.00000 0.00031 -0.00000 0.00030 0.00015 127 6D+1 -0.00013 -0.00000 -0.00012 -0.00000 0.00000 128 6D-1 -0.00000 0.00002 -0.00000 0.00025 0.00010 129 6D+2 0.00000 -0.00006 -0.00000 0.00010 -0.00000 130 6D-2 -0.00000 0.00000 -0.00005 0.00000 0.00000 131 7D 0 0.00000 -0.00009 0.00000 0.00006 -0.00003 132 7D+1 -0.00034 -0.00000 -0.00036 -0.00000 0.00000 133 7D-1 -0.00000 0.00041 -0.00000 0.00049 0.00029 134 7D+2 0.00000 -0.00010 -0.00000 0.00019 0.00011 135 7D-2 0.00012 0.00000 -0.00001 0.00000 -0.00000 136 6 N 1S 0.00000 0.00050 0.00000 -0.00000 0.00002 137 2S 0.00000 0.00047 0.00000 -0.00000 0.00002 138 2PX 0.00000 -0.00000 0.00073 0.00000 0.00000 139 2PY -0.00000 0.00000 0.00000 -0.00293 -0.00000 140 2PZ 0.00000 -0.00246 -0.00000 0.00000 0.00001 141 3S -0.00000 -0.00062 -0.00000 0.00000 -0.00022 142 3PX 0.00000 -0.00000 0.00113 0.00000 0.00000 143 3PY -0.00000 0.00000 0.00000 -0.00417 -0.00000 144 3PZ 0.00000 -0.00362 -0.00000 0.00000 -0.00000 145 4S 0.00000 -0.00069 -0.00000 0.00000 0.00069 146 4PX 0.00000 -0.00000 0.00080 0.00000 0.00000 147 4PY -0.00000 0.00000 0.00000 -0.00197 -0.00000 148 4PZ 0.00000 -0.00250 -0.00000 0.00000 0.00004 149 5S 0.00000 -0.00076 -0.00000 0.00000 0.00032 150 5PX 0.00000 0.00000 -0.00069 -0.00000 -0.00000 151 5PY -0.00000 -0.00000 -0.00000 0.00034 -0.00000 152 5PZ 0.00000 0.00128 0.00000 -0.00000 0.00061 153 6D 0 0.00000 0.00022 0.00000 -0.00000 0.00005 154 6D+1 -0.00000 0.00000 -0.00006 -0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00011 0.00000 156 6D+2 -0.00000 0.00002 -0.00000 0.00000 0.00002 157 6D-2 0.00014 0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00000 0.00071 0.00000 -0.00000 0.00015 159 7D+1 -0.00000 0.00000 -0.00024 0.00000 0.00000 160 7D-1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 161 7D+2 -0.00000 0.00010 0.00000 -0.00000 -0.00008 162 7D-2 0.00054 0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S -0.00000 -0.00093 -0.00000 -0.00012 0.00042 164 2S -0.00000 -0.00191 -0.00000 0.00003 0.00041 165 3S -0.00000 -0.00151 -0.00000 0.00001 -0.00052 166 4PX 0.00024 0.00000 0.00009 -0.00000 -0.00000 167 4PY 0.00000 0.00011 0.00000 0.00001 -0.00007 168 4PZ -0.00000 -0.00011 0.00000 -0.00016 -0.00013 169 8 H 1S -0.00000 -0.00360 0.00000 -0.00299 -0.00436 170 2S -0.00000 -0.00548 0.00000 -0.00459 -0.00648 171 3S -0.00000 -0.00163 0.00000 -0.00272 -0.00169 172 4PX 0.00025 0.00000 0.00022 -0.00000 -0.00000 173 4PY 0.00000 0.00054 -0.00000 0.00019 0.00065 174 4PZ 0.00000 -0.00005 0.00000 -0.00008 -0.00021 175 9 H 1S 0.00000 0.00024 -0.00000 0.00000 0.00112 176 2S 0.00000 0.00043 -0.00000 0.00000 0.00189 177 3S 0.00000 0.00183 -0.00000 -0.00000 0.00153 178 4PX -0.00000 -0.00000 0.00028 -0.00000 0.00000 179 4PY 0.00000 0.00000 -0.00000 0.00016 0.00000 180 4PZ 0.00000 -0.00018 -0.00000 0.00000 0.00006 181 10 H 1S -0.00000 -0.00360 -0.00000 0.00299 -0.00436 182 2S -0.00000 -0.00548 -0.00000 0.00459 -0.00648 183 3S -0.00000 -0.00163 -0.00000 0.00272 -0.00169 184 4PX -0.00025 -0.00000 0.00022 0.00000 0.00000 185 4PY -0.00000 -0.00054 -0.00000 0.00019 -0.00065 186 4PZ 0.00000 -0.00005 -0.00000 0.00008 -0.00021 187 11 H 1S -0.00000 -0.00093 -0.00000 0.00012 0.00042 188 2S -0.00000 -0.00191 -0.00000 -0.00003 0.00041 189 3S -0.00000 -0.00151 -0.00000 -0.00001 -0.00052 190 4PX -0.00024 -0.00000 0.00009 0.00000 0.00000 191 4PY -0.00000 -0.00011 -0.00000 0.00001 0.00007 192 4PZ -0.00000 -0.00011 -0.00000 0.00016 -0.00013 81 82 83 84 85 81 7D-2 0.00214 82 4 C 1S 0.00000 0.65852 83 2S 0.00000 0.56026 0.48968 84 2PX 0.00877 -0.00000 -0.00000 0.06809 85 2PY -0.00000 0.00034 0.00064 -0.00000 0.09087 86 2PZ 0.00000 -0.00053 -0.00087 -0.00000 0.00100 87 3S -0.00000 -0.07854 -0.14099 0.00000 -0.00404 88 3PX 0.01343 -0.00000 -0.00000 0.10470 -0.00000 89 3PY -0.00000 0.00047 0.00220 -0.00000 0.12470 90 3PZ 0.00000 -0.00086 -0.00202 -0.00000 0.00291 91 4S -0.00000 -0.06310 -0.09160 -0.00000 0.00448 92 4PX 0.01147 -0.00000 0.00000 0.08438 -0.00000 93 4PY -0.00000 0.00184 -0.00093 -0.00000 0.06622 94 4PZ 0.00000 -0.00427 -0.00378 -0.00000 -0.00224 95 5S -0.00000 0.04821 0.05026 -0.00000 0.02427 96 5PX 0.00243 0.00000 0.00000 0.01144 -0.00000 97 5PY -0.00000 -0.00832 -0.00990 -0.00000 0.00363 98 5PZ -0.00000 0.01722 0.02038 -0.00000 0.00596 99 6D 0 0.00000 -0.00073 -0.00157 -0.00000 0.00001 100 6D+1 0.00041 -0.00000 -0.00000 0.00124 0.00000 101 6D-1 -0.00000 -0.00026 -0.00042 0.00000 -0.00614 102 6D+2 0.00000 0.00088 0.00214 0.00000 0.00063 103 6D-2 -0.00006 0.00000 0.00000 -0.00222 0.00000 104 7D 0 0.00000 -0.00067 -0.00114 -0.00000 -0.00005 105 7D+1 0.00101 0.00000 0.00000 0.00162 0.00000 106 7D-1 -0.00000 -0.00066 -0.00135 0.00000 -0.00198 107 7D+2 -0.00000 -0.00017 -0.00034 0.00000 0.00138 108 7D-2 0.00032 -0.00000 -0.00000 -0.00310 0.00000 109 5 C 1S -0.00000 0.00539 0.00838 -0.00000 0.00098 110 2S -0.00000 0.00838 0.01286 -0.00000 0.00158 111 2PX 0.00887 0.00000 0.00000 0.04478 -0.00000 112 2PY -0.00000 -0.00012 -0.00020 -0.00000 0.00413 113 2PZ -0.00000 0.01941 0.03119 -0.00000 0.00089 114 3S 0.00000 -0.02000 -0.03103 0.00000 -0.00512 115 3PX 0.01362 0.00000 0.00000 0.06932 -0.00000 116 3PY -0.00000 -0.00103 -0.00115 -0.00000 0.00612 117 3PZ -0.00000 0.03128 0.04709 -0.00000 0.00213 118 4S 0.00000 -0.00236 -0.00567 -0.00000 0.00415 119 4PX 0.01152 0.00000 0.00000 0.05318 -0.00000 120 4PY -0.00000 -0.00292 -0.00169 -0.00000 -0.00635 121 4PZ -0.00000 0.01022 0.01627 -0.00000 -0.00015 122 5S 0.00000 -0.04964 -0.05370 0.00000 -0.03145 123 5PX 0.00154 -0.00000 -0.00000 0.00717 -0.00000 124 5PY 0.00000 0.00301 0.00368 -0.00000 0.00146 125 5PZ -0.00000 0.01048 0.01153 -0.00000 0.00635 126 6D 0 0.00000 -0.00247 -0.00373 0.00000 -0.00043 127 6D+1 -0.00042 -0.00000 -0.00000 -0.00343 0.00000 128 6D-1 0.00000 0.00012 0.00022 0.00000 -0.00365 129 6D+2 -0.00000 -0.00056 -0.00088 0.00000 -0.00015 130 6D-2 -0.00001 -0.00000 -0.00000 0.00004 -0.00000 131 7D 0 0.00000 -0.00636 -0.00691 0.00000 -0.00027 132 7D+1 -0.00105 -0.00000 -0.00000 -0.00949 0.00000 133 7D-1 0.00000 0.00053 0.00025 0.00000 -0.01003 134 7D+2 -0.00000 -0.00141 -0.00128 -0.00000 -0.00168 135 7D-2 0.00038 -0.00000 -0.00000 0.00273 -0.00000 136 6 N 1S 0.00000 -0.00027 -0.00039 0.00000 -0.00184 137 2S 0.00000 -0.00043 -0.00064 0.00000 -0.00290 138 2PX -0.00000 -0.00000 -0.00000 -0.00569 -0.00000 139 2PY -0.00000 0.00240 0.00381 -0.00000 0.00396 140 2PZ -0.00000 -0.00594 -0.00966 0.00000 -0.00184 141 3S -0.00000 0.00180 0.00253 -0.00000 0.00872 142 3PX -0.00000 -0.00000 -0.00000 -0.00844 -0.00000 143 3PY -0.00000 0.00282 0.00497 -0.00000 0.00514 144 3PZ -0.00000 -0.00814 -0.01375 0.00000 -0.00317 145 4S 0.00000 -0.01041 -0.01245 0.00000 -0.00152 146 4PX -0.00000 -0.00000 -0.00000 -0.00848 -0.00000 147 4PY -0.00000 0.00148 0.00198 -0.00000 0.00293 148 4PZ -0.00000 -0.00454 -0.00992 0.00000 -0.00057 149 5S -0.00000 -0.00196 -0.00290 -0.00000 0.00642 150 5PX 0.00000 -0.00000 -0.00000 -0.00822 -0.00000 151 5PY 0.00000 0.00104 0.00045 0.00000 0.00136 152 5PZ 0.00000 -0.00479 -0.00627 0.00000 -0.00161 153 6D 0 0.00000 -0.00006 -0.00012 0.00000 -0.00010 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00019 -0.00000 155 6D-1 -0.00000 0.00005 0.00011 -0.00000 0.00015 156 6D+2 -0.00000 -0.00018 -0.00041 -0.00000 -0.00005 157 6D-2 0.00043 -0.00000 -0.00000 0.00176 -0.00000 158 7D 0 0.00000 -0.00040 -0.00018 0.00000 0.00049 159 7D+1 -0.00000 -0.00000 -0.00000 -0.00073 0.00000 160 7D-1 -0.00000 0.00146 0.00159 -0.00000 -0.00008 161 7D+2 -0.00000 -0.00073 -0.00071 -0.00000 0.00099 162 7D-2 0.00169 -0.00000 -0.00000 0.00693 0.00000 163 7 H 1S -0.00000 0.00473 0.00797 0.00000 -0.00466 164 2S -0.00000 0.00809 0.01386 0.00000 -0.00771 165 3S -0.00000 0.00700 0.00958 0.00000 -0.00975 166 4PX 0.00075 0.00000 0.00000 0.00361 -0.00000 167 4PY 0.00000 -0.00069 -0.00111 -0.00000 0.00012 168 4PZ -0.00000 0.00101 0.00099 -0.00000 -0.00005 169 8 H 1S -0.00000 -0.02058 -0.03222 -0.00000 0.06689 170 2S -0.00000 -0.03253 -0.04741 -0.00000 0.10019 171 3S -0.00000 0.00125 0.00180 -0.00000 0.03557 172 4PX 0.00078 -0.00000 -0.00000 0.00586 0.00000 173 4PY 0.00000 0.00576 0.00769 0.00000 -0.00662 174 4PZ -0.00000 -0.00305 -0.00408 -0.00000 0.00569 175 9 H 1S 0.00000 0.00382 0.00651 -0.00000 0.00771 176 2S 0.00000 0.00713 0.01190 -0.00000 0.01285 177 3S 0.00000 0.00611 0.00775 -0.00000 0.01123 178 4PX -0.00000 0.00000 0.00000 0.00363 0.00000 179 4PY 0.00000 -0.00140 -0.00165 0.00000 -0.00229 180 4PZ -0.00000 0.00004 0.00037 -0.00000 -0.00020 181 10 H 1S -0.00000 -0.00248 -0.00404 0.00000 -0.00816 182 2S -0.00000 -0.00462 -0.00610 0.00000 -0.01290 183 3S -0.00000 -0.00366 -0.00521 0.00000 -0.01528 184 4PX -0.00078 0.00000 0.00000 -0.00056 -0.00000 185 4PY -0.00000 -0.00048 -0.00032 -0.00000 0.00033 186 4PZ -0.00000 0.00016 0.00005 0.00000 -0.00048 187 11 H 1S -0.00000 -0.00002 -0.00004 0.00000 -0.00089 188 2S -0.00000 0.00072 0.00150 -0.00000 0.00212 189 3S -0.00000 0.00256 0.00314 -0.00000 0.00201 190 4PX -0.00075 -0.00000 -0.00000 -0.00253 0.00000 191 4PY -0.00000 0.00006 0.00020 0.00000 0.00028 192 4PZ -0.00000 -0.00001 -0.00010 0.00000 -0.00043 86 87 88 89 90 86 2PZ 0.09242 87 3S 0.00283 0.43197 88 3PX -0.00000 0.00000 0.16101 89 3PY 0.00295 -0.01310 -0.00000 0.17141 90 3PZ 0.12870 0.00796 -0.00000 0.00612 0.17938 91 4S 0.00617 0.22333 -0.00000 0.00213 0.01100 92 4PX -0.00000 -0.00000 0.12969 -0.00000 -0.00000 93 4PY -0.00046 0.01270 -0.00000 0.09073 0.00049 94 4PZ 0.06928 0.00174 -0.00000 -0.00191 0.09650 95 5S -0.01613 -0.05732 -0.00000 0.03241 -0.02122 96 5PX 0.00000 -0.00000 0.01746 -0.00000 0.00000 97 5PY -0.00752 0.01680 -0.00000 0.00469 -0.01049 98 5PZ -0.01190 -0.03478 -0.00000 0.00844 -0.01682 99 6D 0 0.00635 0.00548 -0.00000 0.00007 0.00888 100 6D+1 0.00000 0.00000 0.00190 0.00000 0.00000 101 6D-1 -0.00156 0.00128 0.00000 -0.00841 -0.00229 102 6D+2 0.00342 -0.00803 0.00000 0.00108 0.00469 103 6D-2 0.00000 -0.00000 -0.00342 0.00000 0.00000 104 7D 0 0.00272 0.00329 -0.00000 0.00004 0.00383 105 7D+1 0.00000 -0.00000 0.00249 0.00000 0.00000 106 7D-1 -0.00232 0.00448 0.00000 -0.00265 -0.00324 107 7D+2 0.00033 0.00125 0.00000 0.00190 0.00051 108 7D-2 0.00000 0.00000 -0.00479 0.00000 0.00000 109 5 C 1S -0.01967 -0.01984 -0.00000 0.00129 -0.03185 110 2S -0.03163 -0.03096 -0.00000 0.00227 -0.04769 111 2PX -0.00000 -0.00000 0.06897 -0.00000 -0.00000 112 2PY 0.00234 0.00008 -0.00000 0.00725 0.00282 113 2PZ -0.07038 -0.08727 -0.00000 0.00105 -0.09913 114 3S 0.09007 0.07847 0.00000 -0.00776 0.12502 115 3PX -0.00000 -0.00000 0.10677 -0.00000 -0.00000 116 3PY 0.00414 0.00107 -0.00000 0.01053 0.00518 117 3PZ -0.10006 -0.12230 -0.00000 0.00268 -0.14087 118 4S 0.02938 0.01909 -0.00000 0.00604 0.04034 119 4PX -0.00000 0.00000 0.08182 0.00000 -0.00000 120 4PY 0.00272 -0.00475 0.00000 -0.00773 0.00333 121 4PZ -0.04237 -0.04527 -0.00000 -0.00030 -0.05957 122 5S 0.01056 0.07067 0.00000 -0.04355 0.01419 123 5PX -0.00000 0.00000 0.01108 -0.00000 -0.00000 124 5PY 0.00962 -0.00678 -0.00000 0.00246 0.01345 125 5PZ -0.01079 -0.01612 -0.00000 0.00850 -0.01498 126 6D 0 0.00624 0.00965 0.00000 -0.00068 0.00874 127 6D+1 0.00000 0.00000 -0.00526 0.00000 0.00000 128 6D-1 -0.00032 -0.00061 0.00000 -0.00484 -0.00054 129 6D+2 0.00174 0.00249 0.00000 -0.00020 0.00243 130 6D-2 0.00000 0.00000 0.00003 -0.00000 0.00000 131 7D 0 0.00331 0.00939 0.00000 -0.00062 0.00455 132 7D+1 0.00000 -0.00000 -0.01456 0.00000 0.00000 133 7D-1 -0.00147 0.00131 0.00000 -0.01355 -0.00218 134 7D+2 0.00356 0.00069 -0.00000 -0.00235 0.00487 135 7D-2 0.00000 0.00000 0.00415 -0.00000 0.00000 136 6 N 1S 0.00159 0.00177 0.00000 -0.00117 0.00076 137 2S 0.00253 0.00230 0.00000 -0.00264 0.00200 138 2PX 0.00000 0.00000 -0.00825 -0.00000 0.00000 139 2PY -0.00728 -0.01163 -0.00000 0.00344 -0.01107 140 2PZ 0.01807 0.02779 0.00000 -0.00322 0.02468 141 3S -0.00889 -0.00616 -0.00000 0.01084 -0.01051 142 3PX 0.00000 0.00000 -0.01223 -0.00000 0.00000 143 3PY -0.01050 -0.01685 0.00000 0.00417 -0.01597 144 3PZ 0.02606 0.04106 0.00000 -0.00535 0.03555 145 4S 0.01359 0.02205 0.00000 -0.00358 0.02007 146 4PX 0.00000 0.00000 -0.01243 0.00000 0.00000 147 4PY -0.00293 -0.00518 0.00000 0.00238 -0.00461 148 4PZ 0.02363 0.03606 0.00000 -0.00154 0.03241 149 5S 0.01885 0.00796 -0.00000 0.00877 0.02592 150 5PX -0.00000 -0.00000 -0.01270 0.00000 -0.00000 151 5PY 0.00563 0.00250 0.00000 0.00188 0.00803 152 5PZ 0.01127 0.01317 0.00000 -0.00219 0.01560 153 6D 0 0.00056 0.00039 0.00000 -0.00010 0.00079 154 6D+1 0.00000 0.00000 -0.00032 -0.00000 0.00000 155 6D-1 -0.00044 -0.00029 -0.00000 0.00039 -0.00057 156 6D+2 0.00119 0.00150 -0.00000 -0.00006 0.00162 157 6D-2 0.00000 0.00000 0.00269 -0.00000 0.00000 158 7D 0 0.00128 -0.00093 0.00000 0.00081 0.00180 159 7D+1 0.00000 0.00000 -0.00120 -0.00000 0.00000 160 7D-1 -0.00245 -0.00204 -0.00000 0.00020 -0.00343 161 7D+2 0.00089 0.00066 -0.00000 0.00141 0.00122 162 7D-2 0.00000 0.00000 0.01060 0.00000 -0.00000 163 7 H 1S -0.01458 -0.02458 0.00000 -0.00536 -0.02119 164 2S -0.02410 -0.04290 0.00000 -0.00900 -0.03484 165 3S -0.02661 -0.02178 0.00000 -0.01269 -0.03750 166 4PX -0.00000 -0.00000 0.00555 -0.00000 -0.00000 167 4PY 0.00107 0.00329 -0.00000 0.00009 0.00158 168 4PZ -0.00214 -0.00071 -0.00000 -0.00018 -0.00294 169 8 H 1S -0.03589 0.08455 -0.00000 0.08947 -0.04796 170 2S -0.05558 0.11379 -0.00000 0.13411 -0.07441 171 3S -0.01945 -0.00550 -0.00000 0.04816 -0.02637 172 4PX -0.00000 0.00000 0.00901 0.00000 -0.00000 173 4PY 0.00585 -0.01639 0.00000 -0.00867 0.00787 174 4PZ 0.00099 0.00869 -0.00000 0.00766 0.00157 175 9 H 1S 0.01087 -0.02088 -0.00000 0.01198 0.01503 176 2S 0.01861 -0.03673 -0.00000 0.01981 0.02564 177 3S 0.01997 -0.01572 -0.00000 0.01649 0.02756 178 4PX 0.00000 -0.00000 0.00560 0.00000 0.00000 179 4PY -0.00161 0.00285 0.00000 -0.00318 -0.00227 180 4PZ -0.00016 -0.00224 -0.00000 -0.00014 -0.00024 181 10 H 1S -0.00476 0.01222 0.00000 -0.01107 -0.00610 182 2S -0.00988 0.01439 0.00000 -0.01752 -0.01293 183 3S -0.00849 0.01336 0.00000 -0.02104 -0.01144 184 4PX 0.00000 0.00000 -0.00083 -0.00000 0.00000 185 4PY -0.00055 -0.00045 -0.00000 0.00048 -0.00069 186 4PZ -0.00004 0.00054 0.00000 -0.00060 -0.00008 187 11 H 1S -0.00115 0.00059 0.00000 -0.00225 -0.00116 188 2S -0.00533 -0.00443 -0.00000 0.00132 -0.00675 189 3S -0.00465 -0.00590 -0.00000 0.00185 -0.00612 190 4PX 0.00000 0.00000 -0.00385 0.00000 0.00000 191 4PY -0.00073 -0.00082 0.00000 0.00032 -0.00095 192 4PZ -0.00002 0.00046 0.00000 -0.00055 0.00001 91 92 93 94 95 91 4S 0.12915 92 4PX -0.00000 0.10513 93 4PY 0.00787 -0.00000 0.05160 94 4PZ 0.00826 -0.00000 -0.00275 0.05482 95 5S -0.02450 -0.00000 0.01723 -0.00412 0.20324 96 5PX -0.00000 0.01536 -0.00000 0.00000 0.00000 97 5PY 0.00886 -0.00000 0.00442 -0.00558 -0.01334 98 5PZ -0.01514 -0.00000 0.00526 -0.00542 0.04337 99 6D 0 0.00280 -0.00000 0.00002 0.00477 -0.00264 100 6D+1 0.00000 0.00156 0.00000 0.00000 0.00000 101 6D-1 -0.00041 0.00000 -0.00423 -0.00099 -0.00130 102 6D+2 -0.00412 0.00000 0.00013 0.00262 0.00099 103 6D-2 -0.00000 -0.00264 0.00000 0.00000 -0.00000 104 7D 0 0.00157 -0.00000 -0.00032 0.00225 -0.00525 105 7D+1 -0.00000 0.00208 0.00000 0.00000 0.00000 106 7D-1 0.00067 0.00000 -0.00106 -0.00221 -0.00438 107 7D+2 0.00043 0.00000 0.00105 0.00038 0.00107 108 7D-2 0.00000 -0.00349 0.00000 0.00000 -0.00000 109 5 C 1S -0.02335 -0.00000 0.00659 -0.01669 0.05897 110 2S -0.02725 -0.00000 0.00926 -0.02331 0.06888 111 2PX 0.00000 0.05490 -0.00000 -0.00000 0.00000 112 2PY -0.01488 -0.00000 0.00804 -0.00449 -0.01691 113 2PZ -0.04788 -0.00000 -0.00581 -0.05491 0.01463 114 3S 0.04209 0.00000 -0.02259 0.05559 -0.11624 115 3PX 0.00000 0.08501 -0.00000 -0.00000 0.00000 116 3PY -0.01884 -0.00000 0.01184 -0.00472 -0.01914 117 3PZ -0.06716 -0.00000 -0.00734 -0.07797 0.01873 118 4S -0.00561 0.00000 -0.00160 0.01009 -0.07926 119 4PX 0.00000 0.06611 -0.00000 -0.00000 0.00000 120 4PY -0.00670 -0.00000 -0.00481 -0.00038 -0.00995 121 4PZ -0.02325 -0.00000 -0.00453 -0.03351 -0.00641 122 5S 0.03214 0.00000 -0.02638 0.00104 -0.16119 123 5PX 0.00000 0.00848 -0.00000 -0.00000 0.00000 124 5PY -0.00523 -0.00000 0.00025 0.00542 -0.00382 125 5PZ -0.00746 -0.00000 0.00501 -0.00638 0.03973 126 6D 0 0.00529 0.00000 0.00022 0.00494 0.00041 127 6D+1 0.00000 -0.00434 0.00000 0.00000 0.00000 128 6D-1 -0.00232 0.00000 -0.00216 -0.00096 -0.00536 129 6D+2 0.00083 -0.00000 0.00086 0.00157 0.00238 130 6D-2 0.00000 0.00025 0.00000 0.00000 0.00000 131 7D 0 0.00504 0.00000 0.00092 0.00325 0.00576 132 7D+1 0.00000 -0.01195 0.00000 0.00000 0.00000 133 7D-1 -0.00155 0.00000 -0.00673 -0.00180 -0.01284 134 7D+2 -0.00032 -0.00000 -0.00068 0.00295 0.00427 135 7D-2 0.00000 0.00378 -0.00000 0.00000 0.00000 136 6 N 1S -0.03348 -0.00000 0.01708 -0.01050 -0.05238 137 2S -0.03821 -0.00000 0.01733 -0.01183 -0.07170 138 2PX 0.00000 -0.01089 0.00000 0.00000 0.00000 139 2PY -0.00395 0.00000 -0.00076 -0.00488 -0.00225 140 2PZ 0.01525 -0.00000 0.00777 0.02061 0.07768 141 3S 0.05848 0.00000 -0.01685 0.01644 0.16792 142 3PX 0.00000 -0.01631 0.00000 0.00000 0.00000 143 3PY -0.00576 0.00000 -0.00151 -0.00698 -0.00317 144 3PZ 0.02162 -0.00000 0.01130 0.02947 0.11137 145 4S 0.06694 0.00000 -0.01407 0.03592 0.17924 146 4PX 0.00000 -0.01521 0.00000 0.00000 0.00000 147 4PY -0.00075 0.00000 -0.00046 -0.00148 0.00098 148 4PZ 0.02267 -0.00000 0.00980 0.02730 0.09768 149 5S 0.00671 -0.00000 0.01026 0.02024 0.05649 150 5PX -0.00000 -0.00957 0.00000 -0.00000 -0.00000 151 5PY 0.00171 0.00000 0.00110 0.00416 0.00397 152 5PZ 0.01031 0.00000 -0.00018 0.01038 -0.00228 153 6D 0 0.00027 0.00000 -0.00012 0.00033 -0.00316 154 6D+1 0.00000 -0.00005 -0.00000 0.00000 0.00000 155 6D-1 -0.00026 -0.00000 0.00040 -0.00038 -0.00045 156 6D+2 0.00021 -0.00000 0.00061 0.00092 -0.00006 157 6D-2 0.00000 0.00230 0.00000 0.00000 -0.00000 158 7D 0 -0.00021 0.00000 -0.00021 0.00050 -0.01102 159 7D+1 0.00000 -0.00020 -0.00000 0.00000 0.00000 160 7D-1 -0.00126 -0.00000 0.00038 -0.00186 -0.00182 161 7D+2 -0.00025 -0.00000 0.00129 0.00062 -0.00083 162 7D-2 -0.00000 0.00905 0.00000 -0.00000 -0.00000 163 7 H 1S -0.02513 0.00000 -0.00712 -0.01941 -0.04009 164 2S -0.04170 0.00000 -0.01102 -0.03070 -0.05355 165 3S -0.02106 0.00000 -0.00776 -0.02496 -0.02311 166 4PX -0.00000 0.00446 -0.00000 -0.00000 -0.00000 167 4PY 0.00285 -0.00000 0.00089 0.00178 0.00388 168 4PZ 0.00071 -0.00000 0.00014 -0.00086 0.00410 169 8 H 1S 0.04824 -0.00000 0.05202 -0.02941 0.01058 170 2S 0.06621 -0.00000 0.07681 -0.04559 0.01690 171 3S 0.00203 -0.00000 0.02436 -0.01615 0.00781 172 4PX 0.00000 0.00729 0.00000 -0.00000 0.00000 173 4PY -0.00875 0.00000 -0.00545 0.00467 -0.00050 174 4PZ 0.00512 -0.00000 0.00445 0.00064 0.00056 175 9 H 1S -0.01336 -0.00000 0.00600 0.01395 0.00519 176 2S -0.02348 -0.00000 0.01033 0.02259 0.01086 177 3S -0.00840 -0.00000 0.00860 0.01777 -0.00407 178 4PX -0.00000 0.00432 0.00000 0.00000 0.00000 179 4PY 0.00106 0.00000 -0.00152 -0.00108 -0.00123 180 4PZ -0.00179 -0.00000 0.00002 0.00070 0.00174 181 10 H 1S -0.00012 0.00000 -0.00722 -0.00761 0.01834 182 2S -0.00244 0.00000 -0.01214 -0.01383 0.02721 183 3S 0.00213 0.00000 -0.01265 -0.00840 0.00619 184 4PX 0.00000 -0.00111 0.00000 0.00000 -0.00000 185 4PY -0.00072 0.00000 -0.00001 -0.00108 0.00263 186 4PZ 0.00013 0.00000 -0.00034 -0.00006 -0.00066 187 11 H 1S -0.00211 0.00000 -0.00205 -0.00280 -0.01219 188 2S -0.00655 0.00000 -0.00049 -0.00712 -0.01287 189 3S -0.00751 -0.00000 0.00006 -0.00698 -0.00180 190 4PX 0.00000 -0.00356 0.00000 0.00000 0.00000 191 4PY -0.00032 0.00000 -0.00009 -0.00064 -0.00122 192 4PZ 0.00024 0.00000 -0.00037 -0.00004 0.00333 96 97 98 99 100 96 5PX 0.00462 97 5PY -0.00000 0.00455 98 5PZ -0.00000 0.00097 0.01883 99 6D 0 0.00000 -0.00045 -0.00169 0.00062 100 6D+1 0.00009 -0.00000 -0.00000 0.00000 0.00016 101 6D-1 -0.00000 0.00013 0.00028 -0.00004 -0.00000 102 6D+2 0.00000 -0.00068 0.00020 0.00019 0.00000 103 6D-2 -0.00023 -0.00000 -0.00000 0.00000 0.00003 104 7D 0 0.00000 -0.00012 -0.00189 0.00050 -0.00000 105 7D+1 -0.00011 -0.00000 0.00000 -0.00000 0.00046 106 7D-1 -0.00000 0.00068 -0.00047 0.00005 -0.00000 107 7D+2 0.00000 -0.00022 -0.00040 0.00016 -0.00000 108 7D-2 -0.00005 -0.00000 -0.00000 0.00000 0.00016 109 5 C 1S 0.00000 -0.00382 0.01514 -0.00230 -0.00000 110 2S 0.00000 -0.00210 0.02106 -0.00353 -0.00000 111 2PX 0.00349 -0.00000 -0.00000 -0.00000 0.00297 112 2PY -0.00000 0.00583 0.00596 0.00034 -0.00000 113 2PZ -0.00000 0.00311 0.01439 -0.00576 -0.00000 114 3S 0.00000 -0.00688 -0.05018 0.00942 0.00000 115 3PX 0.00554 -0.00000 -0.00000 -0.00000 0.00453 116 3PY -0.00000 0.00845 0.01029 0.00041 -0.00000 117 3PZ -0.00000 0.00452 0.01975 -0.00815 -0.00000 118 4S -0.00000 -0.00012 -0.02717 0.00369 0.00000 119 4PX 0.00602 -0.00000 -0.00000 -0.00000 0.00359 120 4PY -0.00000 0.00264 0.00471 0.00024 -0.00000 121 4PZ -0.00000 0.00277 0.00479 -0.00349 -0.00000 122 5S -0.00000 0.00416 -0.04877 0.00300 0.00000 123 5PX -0.00041 0.00000 0.00000 -0.00000 0.00072 124 5PY 0.00000 -0.00205 -0.00341 0.00068 -0.00000 125 5PZ 0.00000 0.00013 0.01314 -0.00125 -0.00000 126 6D 0 0.00000 0.00007 -0.00027 0.00051 -0.00000 127 6D+1 -0.00086 -0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00000 0.00027 -0.00086 -0.00001 -0.00000 129 6D+2 -0.00000 0.00027 0.00103 0.00008 0.00000 130 6D-2 0.00061 0.00000 0.00000 0.00000 -0.00013 131 7D 0 0.00000 0.00068 0.00225 0.00023 -0.00000 132 7D+1 -0.00228 0.00000 0.00000 0.00000 0.00004 133 7D-1 -0.00000 0.00030 -0.00295 -0.00007 -0.00000 134 7D+2 -0.00000 -0.00009 0.00143 0.00022 -0.00000 135 7D-2 0.00159 0.00000 0.00000 0.00000 -0.00016 136 6 N 1S -0.00000 0.00776 -0.00947 0.00008 -0.00000 137 2S -0.00000 0.00834 -0.01492 0.00020 -0.00000 138 2PX -0.01261 0.00000 0.00000 0.00000 0.00253 139 2PY 0.00000 0.00064 -0.00097 -0.00064 0.00000 140 2PZ -0.00000 0.00554 0.03429 0.00039 -0.00000 141 3S 0.00000 -0.01107 0.04183 -0.00095 0.00000 142 3PX -0.01915 0.00000 0.00000 0.00000 0.00385 143 3PY 0.00000 0.00089 -0.00145 -0.00092 0.00000 144 3PZ -0.00000 0.00829 0.04960 0.00054 -0.00000 145 4S 0.00000 -0.00493 0.05610 -0.00003 -0.00000 146 4PX -0.01585 0.00000 0.00000 0.00000 0.00319 147 4PY 0.00000 0.00017 -0.00122 -0.00031 0.00000 148 4PZ -0.00000 0.00588 0.04160 0.00068 -0.00000 149 5S -0.00000 0.00124 0.02163 0.00097 -0.00000 150 5PX -0.00040 0.00000 0.00000 0.00000 0.00012 151 5PY 0.00000 -0.00091 -0.00063 0.00032 0.00000 152 5PZ -0.00000 0.00100 0.00159 0.00078 -0.00000 153 6D 0 0.00000 -0.00012 -0.00116 0.00007 0.00000 154 6D+1 0.00048 -0.00000 -0.00000 0.00000 -0.00009 155 6D-1 -0.00000 0.00018 0.00040 -0.00004 -0.00000 156 6D+2 -0.00000 0.00023 0.00033 0.00007 -0.00000 157 6D-2 0.00049 0.00000 -0.00000 0.00000 0.00008 158 7D 0 0.00000 -0.00065 -0.00441 0.00021 0.00000 159 7D+1 0.00183 -0.00000 -0.00000 0.00000 -0.00036 160 7D-1 -0.00000 0.00053 0.00097 -0.00018 -0.00000 161 7D+2 -0.00000 -0.00023 -0.00069 0.00009 -0.00000 162 7D-2 0.00192 -0.00000 -0.00000 0.00000 0.00032 163 7 H 1S -0.00000 0.00350 -0.00365 -0.00056 -0.00000 164 2S -0.00000 0.00424 -0.00489 -0.00104 -0.00000 165 3S -0.00000 0.00182 -0.00275 -0.00174 -0.00000 166 4PX 0.00038 0.00000 -0.00000 -0.00000 0.00024 167 4PY 0.00000 -0.00020 0.00054 0.00001 0.00000 168 4PZ 0.00000 -0.00014 0.00092 -0.00024 0.00000 169 8 H 1S -0.00000 0.00912 0.00087 -0.00165 0.00000 170 2S -0.00000 0.01282 0.00098 -0.00277 0.00000 171 3S -0.00000 0.00241 0.00189 -0.00178 0.00000 172 4PX 0.00105 0.00000 -0.00000 -0.00000 0.00011 173 4PY 0.00000 -0.00136 0.00038 0.00021 -0.00000 174 4PZ -0.00000 0.00053 -0.00034 0.00016 0.00000 175 9 H 1S 0.00000 -0.00160 0.00426 0.00259 -0.00000 176 2S 0.00000 -0.00252 0.00745 0.00396 -0.00000 177 3S 0.00000 -0.00110 0.00021 0.00232 0.00000 178 4PX 0.00045 -0.00000 0.00000 -0.00000 -0.00011 179 4PY -0.00000 0.00016 -0.00031 -0.00001 -0.00000 180 4PZ 0.00000 -0.00012 0.00103 0.00023 -0.00000 181 10 H 1S 0.00000 -0.00841 -0.00686 0.00051 -0.00000 182 2S 0.00000 -0.01317 -0.01143 0.00060 -0.00000 183 3S 0.00000 -0.00538 -0.00771 0.00020 -0.00000 184 4PX -0.00074 0.00000 0.00000 -0.00000 -0.00019 185 4PY 0.00000 -0.00099 -0.00045 -0.00003 0.00000 186 4PZ 0.00000 -0.00022 -0.00018 0.00008 -0.00000 187 11 H 1S -0.00000 0.00328 -0.00417 -0.00023 0.00000 188 2S -0.00000 0.00459 -0.00531 -0.00066 0.00000 189 3S 0.00000 -0.00084 -0.00620 -0.00064 0.00000 190 4PX -0.00133 -0.00000 0.00000 0.00000 -0.00005 191 4PY -0.00000 0.00048 -0.00016 -0.00006 0.00000 192 4PZ 0.00000 -0.00073 0.00011 -0.00000 -0.00000 101 102 103 104 105 101 6D-1 0.00062 102 6D+2 -0.00008 0.00032 103 6D-2 -0.00000 0.00000 0.00013 104 7D 0 0.00008 0.00016 0.00000 0.00087 105 7D+1 -0.00000 -0.00000 0.00018 -0.00000 0.00141 106 7D-1 0.00055 -0.00012 -0.00000 0.00036 -0.00000 107 7D+2 -0.00008 0.00010 -0.00000 0.00029 -0.00000 108 7D-2 -0.00000 -0.00000 0.00027 0.00000 0.00063 109 5 C 1S 0.00025 -0.00042 -0.00000 -0.00761 0.00000 110 2S 0.00030 -0.00064 -0.00000 -0.00793 0.00000 111 2PX -0.00000 0.00000 -0.00045 -0.00000 0.00800 112 2PY 0.00315 0.00025 0.00000 0.00031 -0.00000 113 2PZ 0.00111 -0.00115 -0.00000 -0.00234 -0.00000 114 3S -0.00066 0.00185 0.00000 0.00936 0.00000 115 3PX -0.00000 0.00000 -0.00073 -0.00000 0.01215 116 3PY 0.00429 0.00033 0.00000 0.00016 -0.00000 117 3PZ 0.00144 -0.00167 -0.00000 -0.00322 -0.00000 118 4S 0.00029 0.00088 0.00000 0.00446 -0.00000 119 4PX -0.00000 0.00000 -0.00035 -0.00000 0.00968 120 4PY 0.00256 0.00017 0.00000 0.00045 -0.00000 121 4PZ 0.00051 -0.00099 -0.00000 -0.00131 -0.00000 122 5S 0.00059 -0.00111 0.00000 0.00577 -0.00000 123 5PX 0.00000 -0.00000 0.00000 -0.00000 0.00206 124 5PY -0.00008 0.00050 0.00000 0.00037 -0.00000 125 5PZ 0.00010 -0.00006 -0.00000 -0.00151 -0.00000 126 6D 0 0.00002 0.00006 0.00000 0.00013 -0.00000 127 6D+1 -0.00000 -0.00000 0.00013 0.00000 0.00013 128 6D-1 0.00047 -0.00002 -0.00000 0.00004 -0.00000 129 6D+2 0.00007 0.00003 0.00000 -0.00015 0.00000 130 6D-2 0.00000 0.00000 -0.00003 0.00000 -0.00041 131 7D 0 0.00010 -0.00003 -0.00000 -0.00022 -0.00000 132 7D+1 -0.00000 -0.00000 0.00039 0.00000 0.00046 133 7D-1 0.00078 -0.00018 -0.00000 0.00013 -0.00000 134 7D+2 0.00022 0.00015 0.00000 -0.00007 0.00000 135 7D-2 0.00000 0.00000 -0.00013 -0.00000 -0.00062 136 6 N 1S 0.00016 -0.00004 0.00000 -0.00042 -0.00000 137 2S 0.00031 -0.00006 0.00000 -0.00039 -0.00000 138 2PX 0.00000 -0.00000 0.00089 -0.00000 0.00836 139 2PY -0.00196 -0.00021 -0.00000 -0.00054 0.00000 140 2PZ 0.00234 0.00032 0.00000 -0.00306 -0.00000 141 3S -0.00108 0.00009 -0.00000 0.00009 0.00000 142 3PX 0.00000 -0.00000 0.00134 -0.00000 0.01269 143 3PY -0.00282 -0.00030 -0.00000 -0.00075 0.00000 144 3PZ 0.00345 0.00042 0.00000 -0.00453 -0.00000 145 4S 0.00095 0.00029 0.00000 -0.00180 0.00000 146 4PX 0.00000 -0.00000 0.00120 -0.00000 0.01058 147 4PY -0.00172 -0.00014 -0.00000 -0.00041 0.00000 148 4PZ 0.00248 0.00045 0.00000 -0.00342 -0.00000 149 5S 0.00063 0.00097 0.00000 -0.00105 0.00000 150 5PX 0.00000 -0.00000 0.00051 0.00000 0.00066 151 5PY -0.00026 0.00013 0.00000 -0.00013 -0.00000 152 5PZ 0.00008 0.00016 0.00000 0.00021 0.00000 153 6D 0 -0.00009 0.00001 0.00000 0.00011 0.00000 154 6D+1 -0.00000 0.00000 -0.00001 0.00000 -0.00030 155 6D-1 0.00017 -0.00000 -0.00000 0.00002 -0.00000 156 6D+2 0.00004 0.00002 0.00000 -0.00006 -0.00000 157 6D-2 -0.00000 0.00000 -0.00001 0.00000 0.00020 158 7D 0 -0.00038 0.00007 0.00000 0.00048 0.00000 159 7D+1 -0.00000 0.00000 -0.00004 0.00000 -0.00114 160 7D-1 0.00034 -0.00003 -0.00000 0.00001 -0.00000 161 7D+2 -0.00016 0.00005 0.00000 0.00004 -0.00000 162 7D-2 -0.00000 0.00000 -0.00004 0.00000 0.00080 163 7 H 1S 0.00292 -0.00012 -0.00000 0.00134 -0.00000 164 2S 0.00437 -0.00008 -0.00000 0.00185 -0.00000 165 3S 0.00203 -0.00065 -0.00000 -0.00002 -0.00000 166 4PX 0.00000 0.00000 -0.00003 -0.00000 0.00063 167 4PY -0.00027 -0.00003 -0.00000 -0.00022 0.00000 168 4PZ -0.00020 -0.00008 -0.00000 -0.00028 0.00000 169 8 H 1S -0.00412 -0.00272 -0.00000 -0.00094 0.00000 170 2S -0.00639 -0.00392 -0.00000 -0.00157 0.00000 171 3S -0.00297 -0.00077 -0.00000 -0.00136 0.00000 172 4PX -0.00000 -0.00000 -0.00019 -0.00000 0.00014 173 4PY 0.00034 0.00049 0.00000 0.00007 0.00000 174 4PZ -0.00039 -0.00009 0.00000 0.00008 0.00000 175 9 H 1S 0.00084 0.00174 0.00000 0.00540 -0.00000 176 2S 0.00120 0.00286 0.00000 0.00800 -0.00000 177 3S -0.00037 0.00174 0.00000 0.00336 -0.00000 178 4PX -0.00000 0.00000 -0.00024 -0.00000 -0.00047 179 4PY 0.00024 -0.00008 -0.00000 0.00014 -0.00000 180 4PZ 0.00026 0.00013 0.00000 0.00063 -0.00000 181 10 H 1S 0.00061 0.00022 0.00000 0.00001 -0.00000 182 2S 0.00094 0.00031 0.00000 0.00010 -0.00000 183 3S 0.00116 -0.00020 -0.00000 0.00072 -0.00000 184 4PX 0.00000 0.00000 -0.00015 -0.00000 -0.00060 185 4PY -0.00005 0.00002 0.00000 -0.00020 0.00000 186 4PZ 0.00008 0.00006 0.00000 0.00011 -0.00000 187 11 H 1S -0.00055 -0.00022 -0.00000 -0.00036 0.00000 188 2S -0.00105 -0.00034 -0.00000 -0.00075 0.00000 189 3S -0.00111 -0.00037 -0.00000 -0.00101 0.00000 190 4PX 0.00000 -0.00000 0.00001 -0.00000 -0.00008 191 4PY -0.00003 -0.00001 -0.00000 0.00001 -0.00000 192 4PZ 0.00005 -0.00002 -0.00000 -0.00006 -0.00000 106 107 108 109 110 106 7D-1 0.00128 107 7D+2 -0.00001 0.00032 108 7D-2 0.00000 -0.00000 0.00068 109 5 C 1S -0.00170 -0.00097 -0.00000 0.65869 110 2S -0.00158 -0.00071 -0.00000 0.56020 0.48942 111 2PX -0.00000 0.00000 0.00100 0.00000 0.00000 112 2PY 0.00828 -0.00087 -0.00000 -0.00114 -0.00176 113 2PZ 0.00089 -0.00117 -0.00000 0.00122 0.00195 114 3S 0.00068 -0.00051 0.00000 -0.08030 -0.14341 115 3PX -0.00000 0.00000 0.00144 0.00000 0.00000 116 3PY 0.01109 -0.00126 -0.00000 -0.00249 -0.00206 117 3PZ 0.00116 -0.00159 -0.00000 0.00182 0.00349 118 4S 0.00310 -0.00017 0.00000 -0.03860 -0.06590 119 4PX -0.00000 -0.00000 0.00177 0.00000 0.00000 120 4PY 0.00515 -0.00101 -0.00000 -0.00822 -0.01192 121 4PZ 0.00082 -0.00098 -0.00000 0.00029 0.00018 122 5S 0.00168 0.00024 0.00000 -0.05707 -0.07025 123 5PX -0.00000 -0.00000 0.00037 -0.00000 0.00000 124 5PY 0.00064 -0.00006 0.00000 0.00011 -0.00261 125 5PZ -0.00039 -0.00008 -0.00000 0.00786 0.01113 126 6D 0 -0.00010 0.00003 0.00000 -0.00087 -0.00172 127 6D+1 -0.00000 -0.00000 0.00021 -0.00000 -0.00000 128 6D-1 0.00082 -0.00013 -0.00000 0.00019 0.00040 129 6D+2 0.00002 0.00003 0.00000 0.00097 0.00228 130 6D-2 0.00000 0.00000 -0.00009 0.00000 0.00000 131 7D 0 -0.00040 0.00002 -0.00000 0.00150 0.00133 132 7D+1 -0.00000 -0.00000 0.00066 0.00000 0.00000 133 7D-1 0.00110 -0.00025 -0.00000 -0.00097 0.00004 134 7D+2 -0.00006 0.00001 0.00000 -0.00106 -0.00101 135 7D-2 -0.00000 0.00000 -0.00024 0.00000 0.00000 136 6 N 1S 0.00280 0.00024 -0.00000 0.00387 0.00568 137 2S 0.00308 0.00006 -0.00000 0.00587 0.00864 138 2PX 0.00000 -0.00000 0.00225 0.00000 0.00000 139 2PY -0.00713 -0.00019 -0.00000 -0.01728 -0.02736 140 2PZ 0.00001 -0.00039 -0.00000 0.01226 0.01967 141 3S -0.00437 0.00085 0.00000 -0.01253 -0.01951 142 3PX 0.00000 -0.00000 0.00340 0.00000 0.00000 143 3PY -0.01034 -0.00025 -0.00000 -0.02745 -0.04153 144 3PZ 0.00009 -0.00062 -0.00000 0.01908 0.02975 145 4S -0.00404 -0.00004 -0.00000 -0.01884 -0.01620 146 4PX 0.00000 -0.00000 0.00301 0.00000 0.00000 147 4PY -0.00586 -0.00001 -0.00000 -0.02017 -0.02625 148 4PZ -0.00051 -0.00028 -0.00000 0.01962 0.02714 149 5S -0.00112 0.00064 -0.00000 0.01551 0.02049 150 5PX -0.00000 -0.00000 0.00113 -0.00000 -0.00000 151 5PY -0.00011 0.00001 -0.00000 0.00629 0.00569 152 5PZ -0.00044 -0.00005 -0.00000 -0.00392 -0.00358 153 6D 0 -0.00008 0.00001 0.00000 -0.00017 -0.00027 154 6D+1 -0.00000 0.00000 -0.00003 -0.00000 -0.00000 155 6D-1 0.00062 -0.00001 0.00000 0.00143 0.00236 156 6D+2 -0.00003 -0.00000 -0.00000 0.00056 0.00102 157 6D-2 -0.00000 -0.00000 0.00006 0.00000 0.00000 158 7D 0 -0.00026 0.00012 0.00000 -0.00041 -0.00105 159 7D+1 -0.00000 0.00000 -0.00012 -0.00000 -0.00000 160 7D-1 0.00106 -0.00004 -0.00000 0.00572 0.00681 161 7D+2 -0.00023 0.00010 -0.00000 0.00393 0.00407 162 7D-2 -0.00000 -0.00000 0.00025 0.00000 0.00000 163 7 H 1S 0.00690 -0.00133 0.00000 -0.02115 -0.03327 164 2S 0.01022 -0.00179 0.00000 -0.03281 -0.04869 165 3S 0.00448 -0.00068 -0.00000 0.00048 0.00009 166 4PX 0.00000 -0.00000 0.00010 -0.00000 -0.00000 167 4PY -0.00065 0.00013 -0.00000 0.00526 0.00700 168 4PZ -0.00059 0.00006 -0.00000 0.00351 0.00482 169 8 H 1S -0.00042 0.00088 0.00000 0.00428 0.00726 170 2S -0.00098 0.00132 -0.00000 0.00553 0.01039 171 3S -0.00203 -0.00013 -0.00000 0.00277 0.00410 172 4PX 0.00000 0.00000 -0.00025 0.00000 0.00000 173 4PY -0.00016 -0.00014 -0.00000 -0.00048 -0.00090 174 4PZ -0.00010 0.00012 0.00000 -0.00123 -0.00133 175 9 H 1S 0.00225 0.00123 0.00000 -0.00246 -0.00400 176 2S 0.00325 0.00201 0.00000 -0.00349 -0.00520 177 3S 0.00032 0.00146 0.00000 -0.00249 -0.00424 178 4PX 0.00000 0.00000 -0.00053 0.00000 0.00000 179 4PY 0.00024 0.00009 0.00000 -0.00032 -0.00014 180 4PZ 0.00044 0.00004 0.00000 -0.00021 -0.00015 181 10 H 1S 0.00064 0.00135 0.00000 -0.00063 -0.00105 182 2S 0.00118 0.00209 0.00000 -0.00214 -0.00301 183 3S 0.00157 0.00102 0.00000 -0.00243 -0.00246 184 4PX 0.00000 0.00000 -0.00048 0.00000 0.00000 185 4PY -0.00004 0.00003 -0.00000 -0.00023 -0.00023 186 4PZ 0.00006 0.00016 0.00000 -0.00003 0.00002 187 11 H 1S -0.00021 0.00031 0.00000 -0.00344 -0.00543 188 2S -0.00052 0.00052 -0.00000 -0.00487 -0.00685 189 3S -0.00156 -0.00032 -0.00000 0.00003 -0.00316 190 4PX -0.00000 0.00000 -0.00013 0.00000 0.00000 191 4PY 0.00017 0.00008 0.00000 -0.00048 -0.00037 192 4PZ 0.00002 -0.00007 -0.00000 0.00017 0.00018 111 112 113 114 115 111 2PX 0.06623 112 2PY -0.00000 0.08919 113 2PZ -0.00000 0.00266 0.09237 114 3S -0.00000 0.00213 -0.00604 0.44487 115 3PX 0.10127 -0.00000 -0.00000 0.00000 0.15487 116 3PY -0.00000 0.12190 0.00202 -0.00374 -0.00000 117 3PZ -0.00000 0.00204 0.12942 -0.01223 -0.00000 118 4S -0.00000 0.02925 0.00903 0.19700 -0.00000 119 4PX 0.07801 -0.00000 -0.00000 -0.00000 0.11929 120 4PY -0.00000 0.05305 0.00887 0.02736 -0.00000 121 4PZ -0.00000 0.00094 0.05325 -0.00003 -0.00000 122 5S 0.00000 -0.02230 -0.01216 0.13476 0.00000 123 5PX 0.01516 -0.00000 0.00000 -0.00000 0.02311 124 5PY -0.00000 0.00803 -0.00541 0.01591 -0.00000 125 5PZ -0.00000 0.00437 0.01314 -0.02747 -0.00000 126 6D 0 -0.00000 0.00101 -0.00638 0.00566 -0.00000 127 6D+1 -0.00100 -0.00000 0.00000 0.00000 -0.00159 128 6D-1 -0.00000 0.00682 -0.00029 -0.00143 -0.00000 129 6D+2 0.00000 0.00182 -0.00385 -0.00855 -0.00000 130 6D-2 -0.00243 0.00000 -0.00000 -0.00000 -0.00368 131 7D 0 -0.00000 0.00036 -0.00366 -0.00073 -0.00000 132 7D+1 -0.00238 -0.00000 0.00000 0.00000 -0.00382 133 7D-1 -0.00000 0.00496 -0.00170 -0.00477 -0.00000 134 7D+2 -0.00000 0.00223 -0.00229 0.00076 -0.00000 135 7D-2 -0.00243 0.00000 -0.00000 0.00000 -0.00362 136 6 N 1S -0.00000 0.01354 -0.00779 -0.01247 -0.00000 137 2S -0.00000 0.02166 -0.01247 -0.01910 -0.00000 138 2PX 0.04675 0.00000 -0.00000 -0.00000 0.07064 139 2PY 0.00000 -0.05346 0.03328 0.07714 0.00000 140 2PZ -0.00000 0.03918 -0.01763 -0.05837 -0.00000 141 3S 0.00000 -0.06176 0.03584 0.04590 0.00000 142 3PX 0.07107 0.00000 -0.00000 -0.00000 0.10740 143 3PY 0.00000 -0.07783 0.04799 0.11116 0.00000 144 3PZ -0.00000 0.05810 -0.02568 -0.08546 -0.00000 145 4S 0.00000 -0.02719 0.00652 -0.00459 0.00000 146 4PX 0.05818 0.00000 -0.00000 -0.00000 0.08788 147 4PY 0.00000 -0.04518 0.02131 0.05670 0.00000 148 4PZ -0.00000 0.04045 -0.02337 -0.06721 -0.00000 149 5S -0.00000 0.01549 -0.02039 -0.04592 -0.00000 150 5PX -0.00206 0.00000 0.00000 0.00000 -0.00330 151 5PY 0.00000 -0.00042 -0.00708 -0.00254 0.00000 152 5PZ 0.00000 0.00011 -0.01200 0.00136 -0.00000 153 6D 0 0.00000 -0.00153 -0.00108 0.00085 0.00000 154 6D+1 -0.00194 -0.00000 0.00000 0.00000 -0.00295 155 6D-1 -0.00000 0.00488 -0.00148 -0.00703 -0.00000 156 6D+2 -0.00000 0.00116 -0.00198 -0.00319 -0.00000 157 6D-2 0.00178 0.00000 -0.00000 -0.00000 0.00273 158 7D 0 0.00000 -0.00579 -0.00256 0.00454 0.00000 159 7D+1 -0.00746 -0.00000 0.00000 0.00000 -0.01130 160 7D-1 -0.00000 0.00825 -0.00051 -0.01236 -0.00000 161 7D+2 -0.00000 -0.00168 -0.00277 -0.00455 -0.00000 162 7D-2 0.00700 -0.00000 -0.00000 0.00000 0.01075 163 7 H 1S -0.00000 0.06316 0.04283 0.08928 -0.00000 164 2S -0.00000 0.09297 0.06453 0.12202 -0.00000 165 3S -0.00000 0.03149 0.02898 0.00130 -0.00000 166 4PX 0.00519 0.00000 0.00000 0.00000 0.00794 167 4PY 0.00000 -0.00618 -0.00575 -0.01512 0.00000 168 4PZ 0.00000 -0.00602 -0.00039 -0.01087 0.00000 169 8 H 1S 0.00000 -0.00428 0.01114 -0.02342 0.00000 170 2S 0.00000 -0.01019 0.02065 -0.03616 0.00000 171 3S 0.00000 -0.01428 0.01841 -0.01040 0.00000 172 4PX 0.00381 -0.00000 0.00000 -0.00000 0.00590 173 4PY -0.00000 0.00018 -0.00115 0.00324 -0.00000 174 4PZ -0.00000 -0.00003 -0.00246 0.00166 -0.00000 175 9 H 1S -0.00000 0.00034 -0.00957 0.01169 -0.00000 176 2S -0.00000 0.00251 -0.01554 0.01387 -0.00000 177 3S -0.00000 0.00060 -0.01602 0.01288 -0.00000 178 4PX -0.00015 -0.00000 -0.00000 0.00000 -0.00014 179 4PY -0.00000 0.00055 0.00048 -0.00082 -0.00000 180 4PZ -0.00000 0.00040 -0.00014 -0.00011 -0.00000 181 10 H 1S 0.00000 -0.00077 -0.00075 0.00395 0.00000 182 2S 0.00000 -0.00143 0.00227 0.00856 0.00000 183 3S -0.00000 0.00016 0.00107 0.00300 0.00000 184 4PX -0.00269 0.00000 -0.00000 -0.00000 -0.00408 185 4PY 0.00000 -0.00008 0.00060 0.00035 0.00000 186 4PZ 0.00000 0.00037 -0.00027 -0.00030 0.00000 187 11 H 1S 0.00000 -0.01026 0.00529 0.01646 0.00000 188 2S 0.00000 -0.01601 0.01133 0.01868 0.00000 189 3S 0.00000 -0.01663 0.00953 0.02033 0.00000 190 4PX -0.00101 0.00000 -0.00000 0.00000 -0.00159 191 4PY 0.00000 -0.00002 0.00089 -0.00006 0.00000 192 4PZ -0.00000 0.00058 -0.00030 -0.00030 -0.00000 116 117 118 119 120 116 3PY 0.16711 117 3PZ 0.00045 0.18155 118 4S 0.03544 0.01130 0.11540 119 4PX -0.00000 -0.00000 -0.00000 0.09333 120 4PY 0.07249 0.01085 0.02193 -0.00000 0.03792 121 4PZ -0.00007 0.07493 0.00655 -0.00000 0.00533 122 5S -0.03600 -0.01520 0.07503 0.00000 -0.01229 123 5PX -0.00000 0.00000 -0.00000 0.01745 -0.00000 124 5PY 0.01031 -0.00777 0.00998 -0.00000 0.00498 125 5PZ 0.00729 0.01785 -0.01540 -0.00000 0.00353 126 6D 0 0.00169 -0.00914 0.00114 -0.00000 0.00067 127 6D+1 -0.00000 0.00000 -0.00000 -0.00133 -0.00000 128 6D-1 0.00913 -0.00045 0.00246 -0.00000 0.00387 129 6D+2 0.00283 -0.00541 -0.00361 0.00000 0.00016 130 6D-2 0.00000 -0.00000 -0.00000 -0.00258 0.00000 131 7D 0 0.00121 -0.00543 -0.00198 -0.00000 0.00012 132 7D+1 -0.00000 0.00000 -0.00000 -0.00311 -0.00000 133 7D-1 0.00634 -0.00223 0.00097 -0.00000 0.00275 134 7D+2 0.00342 -0.00349 0.00022 0.00000 0.00132 135 7D-2 0.00000 -0.00000 -0.00000 -0.00228 0.00000 136 6 N 1S 0.01804 -0.01095 0.04028 0.00000 -0.01236 137 2S 0.02843 -0.01692 0.04691 0.00000 -0.01115 138 2PX 0.00000 -0.00000 -0.00000 0.04973 0.00000 139 2PY -0.07291 0.04655 0.02906 0.00000 -0.02900 140 2PZ 0.06039 -0.02781 -0.03646 -0.00000 0.02475 141 3S -0.07980 0.04686 -0.07946 -0.00000 0.00349 142 3PX 0.00000 -0.00000 -0.00000 0.07559 0.00000 143 3PY -0.10614 0.06712 0.04181 0.00000 -0.04229 144 3PZ 0.08932 -0.04050 -0.05201 -0.00000 0.03622 145 4S -0.02815 0.00441 -0.09687 -0.00000 0.01933 146 4PX 0.00000 -0.00000 -0.00000 0.06202 0.00000 147 4PY -0.06149 0.02983 0.02003 0.00000 -0.02561 148 4PZ 0.06361 -0.03639 -0.04772 -0.00000 0.02702 149 5S 0.02552 -0.03008 -0.03112 -0.00000 0.00880 150 5PX 0.00000 0.00000 0.00000 -0.00143 0.00000 151 5PY -0.00052 -0.00996 -0.00234 0.00000 -0.00111 152 5PZ 0.00125 -0.01706 -0.00513 -0.00000 0.00121 153 6D 0 -0.00222 -0.00139 0.00044 0.00000 -0.00111 154 6D+1 -0.00000 0.00000 0.00000 -0.00203 -0.00000 155 6D-1 0.00667 -0.00205 -0.00243 -0.00000 0.00276 156 6D+2 0.00176 -0.00278 -0.00082 -0.00000 0.00013 157 6D-2 -0.00000 -0.00000 -0.00000 0.00231 -0.00000 158 7D 0 -0.00854 -0.00313 0.00247 0.00000 -0.00408 159 7D+1 -0.00000 0.00000 0.00000 -0.00778 -0.00000 160 7D-1 0.01125 -0.00064 -0.00415 -0.00000 0.00486 161 7D+2 -0.00232 -0.00371 -0.00149 -0.00000 -0.00204 162 7D-2 -0.00000 -0.00000 0.00000 0.00909 -0.00000 163 7 H 1S 0.08350 0.05836 0.06633 -0.00000 0.04624 164 2S 0.12276 0.08805 0.09463 -0.00000 0.06726 165 3S 0.04084 0.04064 0.01918 -0.00000 0.02013 166 4PX 0.00000 0.00000 0.00000 0.00618 0.00000 167 4PY -0.00809 -0.00781 -0.00933 0.00000 -0.00505 168 4PZ -0.00802 -0.00034 -0.00695 0.00000 -0.00419 169 8 H 1S -0.00568 0.01697 -0.00615 0.00000 -0.01073 170 2S -0.01397 0.03104 -0.00983 0.00000 -0.01817 171 3S -0.01981 0.02676 -0.00365 0.00000 -0.01145 172 4PX -0.00000 0.00000 -0.00000 0.00457 -0.00000 173 4PY 0.00026 -0.00176 0.00090 -0.00000 0.00109 174 4PZ 0.00005 -0.00342 0.00050 -0.00000 -0.00065 175 9 H 1S 0.00027 -0.01269 0.00779 0.00000 -0.00074 176 2S 0.00331 -0.02081 0.01076 0.00000 -0.00053 177 3S 0.00092 -0.02211 0.00644 0.00000 -0.00135 178 4PX -0.00000 -0.00000 0.00000 -0.00048 -0.00000 179 4PY 0.00069 0.00067 -0.00020 -0.00000 0.00047 180 4PZ 0.00055 -0.00011 0.00051 -0.00000 0.00020 181 10 H 1S -0.00262 -0.00155 0.00601 0.00000 -0.00210 182 2S -0.00476 0.00245 0.01059 0.00000 -0.00280 183 3S -0.00167 0.00140 0.00301 -0.00000 0.00055 184 4PX 0.00000 0.00000 -0.00000 -0.00387 0.00000 185 4PY -0.00024 0.00076 0.00079 0.00000 -0.00026 186 4PZ 0.00050 -0.00039 0.00004 0.00000 0.00020 187 11 H 1S -0.01446 0.00711 0.01438 0.00000 -0.01086 188 2S -0.02264 0.01553 0.01989 0.00000 -0.01732 189 3S -0.02396 0.01351 0.01582 0.00000 -0.01373 190 4PX 0.00000 -0.00000 -0.00000 -0.00188 0.00000 191 4PY -0.00008 0.00121 0.00061 0.00000 -0.00042 192 4PZ 0.00074 -0.00043 -0.00089 -0.00000 0.00085 121 122 123 124 125 121 4PZ 0.03327 122 5S 0.00502 0.16076 123 5PX -0.00000 -0.00000 0.00382 124 5PY -0.00262 0.00316 -0.00000 0.00356 125 5PZ 0.00432 -0.03857 0.00000 -0.00231 0.01119 126 6D 0 -0.00416 -0.00108 -0.00000 0.00014 -0.00008 127 6D+1 0.00000 -0.00000 0.00002 -0.00000 0.00000 128 6D-1 0.00023 0.00242 -0.00000 0.00086 -0.00086 129 6D+2 -0.00265 -0.00392 0.00000 -0.00016 0.00054 130 6D-2 -0.00000 -0.00000 -0.00076 0.00000 0.00000 131 7D 0 -0.00354 -0.00657 0.00000 -0.00105 0.00191 132 7D+1 0.00000 -0.00000 0.00015 -0.00000 0.00000 133 7D-1 0.00045 0.00991 -0.00000 0.00084 -0.00298 134 7D+2 -0.00245 -0.00491 0.00000 -0.00013 0.00124 135 7D-2 -0.00000 -0.00000 -0.00105 -0.00000 0.00000 136 6 N 1S -0.00889 0.03010 0.00000 -0.00039 -0.00875 137 2S -0.01032 0.04496 -0.00000 0.00132 -0.01331 138 2PX -0.00000 -0.00000 0.01500 0.00000 -0.00000 139 2PY 0.01459 0.02281 0.00000 -0.00855 0.00242 140 2PZ -0.02240 -0.10075 0.00000 -0.00621 0.02608 141 3S 0.01705 -0.11908 0.00000 -0.00988 0.03588 142 3PX -0.00000 -0.00000 0.02279 0.00000 -0.00000 143 3PY 0.02095 0.03325 0.00000 -0.01247 0.00349 144 3PZ -0.03258 -0.14571 0.00000 -0.00897 0.03773 145 4S -0.00628 -0.15844 0.00000 -0.01251 0.04410 146 4PX -0.00000 -0.00000 0.01875 0.00000 -0.00000 147 4PY 0.00854 0.01695 0.00000 -0.00690 0.00177 148 4PZ -0.02806 -0.12229 0.00000 -0.00784 0.03138 149 5S -0.02042 -0.06617 0.00000 -0.00365 0.01547 150 5PX 0.00000 0.00000 -0.00019 -0.00000 0.00000 151 5PY -0.00393 -0.00314 -0.00000 0.00094 -0.00040 152 5PZ -0.00745 -0.00271 0.00000 -0.00078 -0.00012 153 6D 0 -0.00026 0.00348 0.00000 0.00015 -0.00107 154 6D+1 0.00000 0.00000 -0.00060 -0.00000 0.00000 155 6D-1 -0.00042 -0.00192 -0.00000 0.00059 -0.00007 156 6D+2 -0.00143 -0.00108 -0.00000 -0.00007 0.00008 157 6D-2 -0.00000 0.00000 0.00031 0.00000 -0.00000 158 7D 0 -0.00012 0.01297 0.00000 0.00070 -0.00388 159 7D+1 0.00000 0.00000 -0.00230 -0.00000 0.00000 160 7D-1 0.00049 -0.00268 -0.00000 0.00076 -0.00004 161 7D+2 -0.00167 0.00136 -0.00000 0.00007 -0.00082 162 7D-2 -0.00000 0.00000 0.00121 0.00000 -0.00000 163 7 H 1S 0.02665 0.01876 -0.00000 0.00733 -0.00004 164 2S 0.03966 0.02446 -0.00000 0.01102 0.00057 165 3S 0.01964 0.01377 -0.00000 0.00329 -0.00150 166 4PX 0.00000 0.00000 0.00116 0.00000 -0.00000 167 4PY -0.00338 -0.00242 0.00000 -0.00083 -0.00015 168 4PZ -0.00025 -0.00211 0.00000 -0.00098 0.00045 169 8 H 1S 0.00850 -0.00956 0.00000 -0.00447 0.00485 170 2S 0.01537 -0.01322 0.00000 -0.00654 0.00713 171 3S 0.01258 -0.00493 0.00000 -0.00194 0.00272 172 4PX -0.00000 0.00000 0.00059 -0.00000 0.00000 173 4PY -0.00097 -0.00015 -0.00000 0.00075 -0.00043 174 4PZ -0.00141 -0.00071 -0.00000 -0.00004 0.00006 175 9 H 1S -0.00991 -0.00328 0.00000 -0.00014 -0.00133 176 2S -0.01623 -0.00903 0.00000 -0.00009 -0.00109 177 3S -0.01190 0.00149 -0.00000 0.00087 -0.00249 178 4PX -0.00000 -0.00000 -0.00025 0.00000 0.00000 179 4PY 0.00026 0.00156 0.00000 -0.00022 -0.00017 180 4PZ -0.00071 -0.00134 0.00000 -0.00017 0.00015 181 10 H 1S -0.00391 0.00426 -0.00000 0.00362 -0.00236 182 2S -0.00339 0.00877 -0.00000 0.00596 -0.00389 183 3S 0.00048 0.01121 -0.00000 0.00281 -0.00316 184 4PX 0.00000 0.00000 -0.00053 -0.00000 0.00000 185 4PY -0.00003 -0.00045 -0.00000 0.00051 -0.00011 186 4PZ -0.00045 0.00090 0.00000 -0.00001 -0.00027 187 11 H 1S 0.00395 0.01235 0.00000 -0.00300 -0.00023 188 2S 0.00756 0.01477 0.00000 -0.00448 0.00070 189 3S 0.00617 0.01255 0.00000 -0.00036 -0.00140 190 4PX -0.00000 -0.00000 0.00009 0.00000 -0.00000 191 4PY 0.00078 0.00060 0.00000 -0.00029 0.00012 192 4PZ -0.00023 -0.00187 -0.00000 0.00054 0.00019 126 127 128 129 130 126 6D 0 0.00081 127 6D+1 0.00000 0.00022 128 6D-1 -0.00009 -0.00000 0.00088 129 6D+2 0.00033 -0.00000 0.00012 0.00048 130 6D-2 0.00000 -0.00011 0.00000 0.00000 0.00021 131 7D 0 0.00093 -0.00000 -0.00038 0.00055 0.00000 132 7D+1 0.00000 0.00063 -0.00000 0.00000 -0.00030 133 7D-1 -0.00036 -0.00000 0.00129 0.00005 -0.00000 134 7D+2 0.00058 0.00000 0.00000 0.00039 0.00000 135 7D-2 0.00000 -0.00032 -0.00000 0.00000 0.00038 136 6 N 1S -0.00022 -0.00000 0.00270 0.00132 0.00000 137 2S -0.00036 -0.00000 0.00425 0.00195 0.00000 138 2PX -0.00000 0.00239 0.00000 0.00000 -0.00428 139 2PY 0.00021 0.00000 -0.00586 -0.00241 -0.00000 140 2PZ 0.00654 -0.00000 -0.00059 0.00559 0.00000 141 3S 0.00087 0.00000 -0.01181 -0.00492 -0.00000 142 3PX -0.00000 0.00363 0.00000 0.00000 -0.00649 143 3PY 0.00031 0.00000 -0.00849 -0.00347 -0.00000 144 3PZ 0.00952 -0.00000 -0.00069 0.00819 0.00000 145 4S 0.00598 0.00000 -0.01000 0.00027 0.00000 146 4PX -0.00000 0.00307 0.00000 0.00000 -0.00536 147 4PY 0.00041 0.00000 -0.00479 -0.00165 -0.00000 148 4PZ 0.00793 0.00000 -0.00147 0.00643 0.00000 149 5S 0.00424 0.00000 -0.00137 0.00372 0.00000 150 5PX -0.00000 0.00044 -0.00000 -0.00000 -0.00003 151 5PY 0.00034 -0.00000 0.00001 0.00029 0.00000 152 5PZ 0.00149 0.00000 -0.00040 0.00074 0.00000 153 6D 0 -0.00008 -0.00000 0.00000 -0.00008 -0.00000 154 6D+1 0.00000 -0.00007 -0.00000 -0.00000 0.00017 155 6D-1 -0.00011 -0.00000 0.00049 0.00016 0.00000 156 6D+2 0.00022 -0.00000 0.00008 0.00026 0.00000 157 6D-2 0.00000 -0.00008 0.00000 0.00000 -0.00000 158 7D 0 -0.00047 -0.00000 -0.00002 -0.00041 -0.00000 159 7D+1 0.00000 -0.00028 -0.00000 -0.00000 0.00064 160 7D-1 -0.00030 -0.00000 0.00083 0.00020 -0.00000 161 7D+2 0.00001 0.00000 -0.00004 0.00014 0.00000 162 7D-2 -0.00000 -0.00033 0.00000 -0.00000 -0.00001 163 7 H 1S -0.00175 -0.00000 0.00512 -0.00260 -0.00000 164 2S -0.00293 -0.00000 0.00769 -0.00373 -0.00000 165 3S -0.00297 -0.00000 0.00387 -0.00131 -0.00000 166 4PX -0.00000 -0.00009 0.00000 -0.00000 -0.00017 167 4PY 0.00016 0.00000 -0.00041 0.00042 0.00000 168 4PZ -0.00015 0.00000 -0.00045 0.00011 0.00000 169 8 H 1S -0.00101 0.00000 -0.00310 -0.00050 -0.00000 170 2S -0.00210 0.00000 -0.00478 -0.00108 -0.00000 171 3S -0.00201 0.00000 -0.00233 -0.00123 -0.00000 172 4PX 0.00000 -0.00030 -0.00000 -0.00000 0.00001 173 4PY 0.00008 -0.00000 0.00028 0.00004 0.00000 174 4PZ 0.00025 0.00000 -0.00028 0.00007 0.00000 175 9 H 1S 0.00031 0.00000 -0.00081 0.00019 0.00000 176 2S 0.00067 0.00000 -0.00117 0.00057 0.00000 177 3S 0.00107 0.00000 -0.00072 0.00053 0.00000 178 4PX 0.00000 -0.00024 -0.00000 -0.00000 0.00011 179 4PY -0.00003 -0.00000 0.00014 -0.00000 -0.00000 180 4PZ -0.00003 0.00000 -0.00003 0.00003 0.00000 181 10 H 1S -0.00033 -0.00000 0.00045 -0.00033 -0.00000 182 2S -0.00098 -0.00000 0.00083 -0.00087 -0.00000 183 3S -0.00097 -0.00000 0.00120 -0.00072 -0.00000 184 4PX 0.00000 0.00001 -0.00000 0.00000 0.00002 185 4PY -0.00007 0.00000 -0.00000 -0.00006 -0.00000 186 4PZ 0.00005 -0.00000 0.00001 0.00004 0.00000 187 11 H 1S -0.00004 0.00000 -0.00047 -0.00005 -0.00000 188 2S -0.00043 0.00000 -0.00084 -0.00013 -0.00000 189 3S -0.00095 0.00000 -0.00076 -0.00089 -0.00000 190 4PX -0.00000 0.00020 0.00000 0.00000 -0.00017 191 4PY -0.00008 -0.00000 0.00003 -0.00000 -0.00000 192 4PZ -0.00004 -0.00000 0.00007 -0.00006 -0.00000 131 132 133 134 135 131 7D 0 0.00187 132 7D+1 -0.00000 0.00176 133 7D-1 -0.00113 -0.00000 0.00281 134 7D+2 0.00107 0.00000 -0.00046 0.00086 135 7D-2 0.00000 -0.00090 -0.00000 0.00000 0.00079 136 6 N 1S 0.00017 -0.00000 0.00705 -0.00047 -0.00000 137 2S -0.00022 -0.00000 0.00877 -0.00013 -0.00000 138 2PX -0.00000 0.00680 0.00000 0.00000 -0.00784 139 2PY 0.00483 0.00000 -0.00925 0.00180 0.00000 140 2PZ 0.01389 0.00000 -0.00731 0.00924 0.00000 141 3S 0.00215 0.00000 -0.01700 -0.00160 0.00000 142 3PX -0.00000 0.01031 0.00000 0.00000 -0.01190 143 3PY 0.00701 0.00000 -0.01333 0.00263 0.00000 144 3PZ 0.02024 0.00000 -0.01040 0.01349 0.00000 145 4S 0.01198 0.00000 -0.01817 0.00540 0.00000 146 4PX -0.00000 0.00874 0.00000 0.00000 -0.00987 147 4PY 0.00387 0.00000 -0.00720 0.00151 0.00000 148 4PZ 0.01657 0.00000 -0.00951 0.01062 0.00000 149 5S 0.00880 0.00000 -0.00610 0.00558 0.00000 150 5PX -0.00000 0.00134 -0.00000 0.00000 -0.00031 151 5PY -0.00014 -0.00000 0.00014 0.00008 0.00000 152 5PZ 0.00199 0.00000 -0.00074 0.00096 0.00000 153 6D 0 -0.00028 -0.00000 0.00023 -0.00023 -0.00000 154 6D+1 0.00000 -0.00020 -0.00000 -0.00000 0.00029 155 6D-1 -0.00043 -0.00000 0.00074 -0.00020 -0.00000 156 6D+2 0.00041 0.00000 -0.00002 0.00027 0.00000 157 6D-2 0.00000 -0.00021 0.00000 -0.00000 0.00008 158 7D 0 -0.00127 -0.00000 0.00078 -0.00097 -0.00000 159 7D+1 0.00000 -0.00077 -0.00000 -0.00000 0.00112 160 7D-1 -0.00073 -0.00000 0.00121 -0.00038 -0.00000 161 7D+2 0.00001 0.00000 0.00004 -0.00010 -0.00000 162 7D-2 -0.00000 -0.00083 0.00000 -0.00000 0.00030 163 7 H 1S -0.00325 -0.00000 0.00391 -0.00028 -0.00000 164 2S -0.00511 -0.00000 0.00598 -0.00042 -0.00000 165 3S -0.00436 -0.00000 0.00546 -0.00188 -0.00000 166 4PX -0.00000 -0.00022 0.00000 0.00000 -0.00016 167 4PY 0.00029 0.00000 -0.00010 -0.00004 0.00000 168 4PZ 0.00006 0.00000 -0.00026 -0.00015 -0.00000 169 8 H 1S 0.00013 0.00000 -0.00666 -0.00294 -0.00000 170 2S -0.00062 0.00000 -0.00989 -0.00480 -0.00000 171 3S -0.00175 0.00000 -0.00393 -0.00239 -0.00000 172 4PX 0.00000 -0.00083 -0.00000 -0.00000 0.00026 173 4PY -0.00009 -0.00000 0.00058 0.00036 0.00000 174 4PZ 0.00026 0.00000 -0.00068 -0.00004 0.00000 175 9 H 1S 0.00015 0.00000 -0.00169 0.00093 0.00000 176 2S 0.00070 0.00000 -0.00287 0.00184 0.00000 177 3S 0.00084 0.00000 -0.00191 0.00093 0.00000 178 4PX 0.00000 -0.00072 -0.00000 -0.00000 0.00031 179 4PY 0.00001 -0.00000 0.00031 -0.00000 0.00000 180 4PZ 0.00003 0.00000 -0.00007 0.00016 0.00000 181 10 H 1S -0.00089 -0.00000 0.00021 0.00016 -0.00000 182 2S -0.00219 -0.00000 0.00072 -0.00022 -0.00000 183 3S -0.00243 -0.00000 0.00265 -0.00097 -0.00000 184 4PX 0.00000 -0.00006 0.00000 0.00000 -0.00002 185 4PY -0.00011 0.00000 -0.00013 0.00000 -0.00000 186 4PZ 0.00012 0.00000 -0.00006 0.00008 0.00000 187 11 H 1S -0.00067 -0.00000 0.00071 0.00077 0.00000 188 2S -0.00115 -0.00000 0.00056 0.00105 -0.00000 189 3S -0.00145 0.00000 -0.00015 -0.00038 -0.00000 190 4PX -0.00000 0.00052 -0.00000 0.00000 -0.00042 191 4PY -0.00025 -0.00000 0.00020 0.00000 -0.00000 192 4PZ -0.00011 0.00000 0.00001 -0.00012 -0.00000 136 137 138 139 140 136 6 N 1S 0.65039 137 2S 0.56519 0.50671 138 2PX -0.00000 -0.00000 0.08635 139 2PY 0.00000 0.00000 -0.00000 0.09984 140 2PZ -0.01220 -0.01855 -0.00000 -0.00000 0.13863 141 3S -0.10776 -0.18575 0.00000 -0.00000 0.04896 142 3PX -0.00000 -0.00000 0.13115 -0.00000 -0.00000 143 3PY 0.00000 0.00000 -0.00000 0.14463 -0.00000 144 3PZ -0.01446 -0.02318 -0.00000 -0.00000 0.20174 145 4S -0.13971 -0.19983 0.00000 -0.00000 0.13806 146 4PX -0.00000 -0.00000 0.10837 -0.00000 -0.00000 147 4PY 0.00000 0.00000 -0.00000 0.07705 -0.00000 148 4PZ -0.00778 -0.02084 -0.00000 -0.00000 0.16416 149 5S -0.01627 -0.02011 0.00000 -0.00000 0.08389 150 5PX -0.00000 -0.00000 0.00162 0.00000 -0.00000 151 5PY 0.00000 0.00000 0.00000 -0.00528 -0.00000 152 5PZ -0.00141 -0.00326 -0.00000 -0.00000 0.01525 153 6D 0 0.00084 0.00121 0.00000 0.00000 -0.00354 154 6D+1 -0.00000 -0.00000 -0.00332 0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 0.00000 -0.00794 0.00000 156 6D+2 0.00088 0.00174 -0.00000 -0.00000 0.00320 157 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00061 0.00215 0.00000 0.00000 -0.01488 159 7D+1 -0.00000 -0.00000 -0.01273 0.00000 0.00000 160 7D-1 0.00000 -0.00000 0.00000 -0.01223 0.00000 161 7D+2 0.00257 0.00345 -0.00000 -0.00000 -0.00172 162 7D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 163 7 H 1S 0.00526 0.00889 0.00000 -0.01234 -0.00689 164 2S 0.00730 0.01340 0.00000 -0.02020 -0.01144 165 3S 0.01216 0.01629 0.00000 -0.02040 -0.02150 166 4PX -0.00000 -0.00000 0.00335 0.00000 -0.00000 167 4PY 0.00083 0.00069 0.00000 -0.00090 0.00083 168 4PZ -0.00084 -0.00131 -0.00000 0.00167 -0.00061 169 8 H 1S -0.00119 -0.00220 -0.00000 0.00735 -0.00828 170 2S -0.00401 -0.00545 -0.00000 0.01238 -0.01905 171 3S -0.00590 -0.00627 -0.00000 0.01452 -0.01919 172 4PX -0.00000 -0.00000 -0.00071 0.00000 -0.00000 173 4PY 0.00007 0.00016 0.00000 -0.00025 0.00084 174 4PZ -0.00051 -0.00058 0.00000 0.00016 0.00096 175 9 H 1S -0.00057 -0.00086 0.00000 -0.00000 0.00046 176 2S 0.00100 0.00092 0.00000 -0.00000 0.00562 177 3S 0.00332 0.00341 0.00000 -0.00000 0.00432 178 4PX 0.00000 0.00000 -0.00258 0.00000 0.00000 179 4PY -0.00000 -0.00000 0.00000 -0.00069 -0.00000 180 4PZ 0.00009 0.00013 0.00000 -0.00000 0.00053 181 10 H 1S -0.00119 -0.00220 0.00000 -0.00735 -0.00828 182 2S -0.00401 -0.00545 0.00000 -0.01238 -0.01905 183 3S -0.00590 -0.00627 0.00000 -0.01452 -0.01919 184 4PX 0.00000 0.00000 -0.00071 0.00000 0.00000 185 4PY -0.00007 -0.00016 0.00000 -0.00025 -0.00084 186 4PZ -0.00051 -0.00058 0.00000 -0.00016 0.00096 187 11 H 1S 0.00526 0.00889 -0.00000 0.01234 -0.00689 188 2S 0.00730 0.01340 -0.00000 0.02020 -0.01144 189 3S 0.01216 0.01629 -0.00000 0.02040 -0.02150 190 4PX 0.00000 0.00000 0.00335 0.00000 0.00000 191 4PY -0.00083 -0.00069 0.00000 -0.00090 -0.00083 192 4PZ -0.00084 -0.00131 0.00000 -0.00167 -0.00061 141 142 143 144 145 141 3S 0.56359 142 3PX 0.00000 0.19920 143 3PY -0.00000 -0.00000 0.20956 144 3PZ 0.06508 -0.00000 -0.00000 0.29369 145 4S 0.48734 0.00000 -0.00000 0.19568 0.49813 146 4PX 0.00000 0.16458 -0.00000 -0.00000 0.00000 147 4PY -0.00000 -0.00000 0.11174 -0.00000 -0.00000 148 4PZ 0.08464 -0.00000 -0.00000 0.23861 0.18465 149 5S 0.03842 0.00000 -0.00000 0.12168 0.09234 150 5PX 0.00000 0.00241 0.00000 -0.00000 0.00000 151 5PY -0.00000 0.00000 -0.00767 -0.00000 -0.00000 152 5PZ 0.01194 -0.00000 -0.00000 0.02203 0.02360 153 6D 0 -0.00299 0.00000 0.00000 -0.00514 -0.00452 154 6D+1 0.00000 -0.00504 0.00000 -0.00000 -0.00000 155 6D-1 -0.00000 0.00000 -0.01152 0.00000 0.00000 156 6D+2 -0.00591 -0.00000 -0.00000 0.00472 -0.00216 157 6D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00964 0.00000 0.00000 -0.02167 -0.01719 159 7D+1 0.00000 -0.01934 0.00000 0.00000 -0.00000 160 7D-1 0.00000 0.00000 -0.01776 0.00000 0.00000 161 7D+2 -0.00752 -0.00000 -0.00000 -0.00246 -0.00695 162 7D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S -0.02782 0.00000 -0.01832 -0.00931 -0.03473 164 2S -0.04478 0.00000 -0.02986 -0.01557 -0.05568 165 3S -0.03593 0.00000 -0.02967 -0.03065 -0.04907 166 4PX -0.00000 0.00510 0.00000 -0.00000 -0.00000 167 4PY 0.00024 0.00000 -0.00126 0.00116 0.00170 168 4PZ 0.00376 -0.00000 0.00245 -0.00095 0.00296 169 8 H 1S 0.00808 -0.00000 0.01019 -0.01217 -0.00575 170 2S 0.01388 -0.00000 0.01727 -0.02794 -0.01218 171 3S 0.00836 -0.00000 0.02077 -0.02807 -0.00988 172 4PX 0.00000 -0.00105 0.00000 -0.00000 -0.00000 173 4PY -0.00073 0.00000 -0.00032 0.00122 0.00079 174 4PZ 0.00089 0.00000 0.00021 0.00137 0.00124 175 9 H 1S 0.00242 0.00000 -0.00000 0.00005 0.00310 176 2S -0.00021 0.00000 -0.00000 0.00729 0.00484 177 3S -0.00382 0.00000 -0.00000 0.00586 0.00104 178 4PX -0.00000 -0.00390 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 -0.00098 -0.00000 -0.00000 180 4PZ -0.00024 0.00000 -0.00000 0.00071 0.00030 181 10 H 1S 0.00808 0.00000 -0.01019 -0.01217 -0.00575 182 2S 0.01388 0.00000 -0.01727 -0.02794 -0.01218 183 3S 0.00836 0.00000 -0.02077 -0.02807 -0.00988 184 4PX -0.00000 -0.00105 0.00000 0.00000 0.00000 185 4PY 0.00073 0.00000 -0.00032 -0.00122 -0.00079 186 4PZ 0.00089 0.00000 -0.00021 0.00137 0.00124 187 11 H 1S -0.02782 -0.00000 0.01832 -0.00931 -0.03473 188 2S -0.04478 -0.00000 0.02986 -0.01557 -0.05568 189 3S -0.03593 -0.00000 0.02967 -0.03065 -0.04907 190 4PX 0.00000 0.00510 0.00000 0.00000 0.00000 191 4PY -0.00024 0.00000 -0.00126 -0.00116 -0.00170 192 4PZ 0.00376 0.00000 -0.00245 -0.00095 0.00296 146 147 148 149 150 146 4PX 0.13605 147 4PY -0.00000 0.06042 148 4PZ -0.00000 -0.00000 0.19666 149 5S 0.00000 -0.00000 0.10132 0.05809 150 5PX 0.00237 0.00000 -0.00000 0.00000 0.00210 151 5PY 0.00000 -0.00343 -0.00000 -0.00000 -0.00000 152 5PZ -0.00000 -0.00000 0.01940 0.01122 -0.00000 153 6D 0 0.00000 0.00000 -0.00410 -0.00176 -0.00000 154 6D+1 -0.00415 0.00000 -0.00000 -0.00000 0.00004 155 6D-1 0.00000 -0.00627 0.00000 0.00000 -0.00000 156 6D+2 -0.00000 -0.00000 0.00359 0.00223 0.00000 157 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 7D 0 0.00000 0.00000 -0.01734 -0.00758 -0.00000 159 7D+1 -0.01591 0.00000 0.00000 -0.00000 0.00016 160 7D-1 0.00000 -0.00994 0.00000 0.00000 -0.00000 161 7D+2 -0.00000 -0.00000 -0.00190 0.00026 0.00000 162 7D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S 0.00000 -0.01486 -0.01344 -0.01722 0.00000 164 2S 0.00000 -0.02332 -0.02168 -0.02574 0.00000 165 3S 0.00000 -0.01849 -0.02907 -0.02036 0.00000 166 4PX 0.00418 -0.00000 -0.00000 -0.00000 -0.00013 167 4PY -0.00000 -0.00011 0.00153 0.00205 -0.00000 168 4PZ -0.00000 0.00163 -0.00032 0.00039 -0.00000 169 8 H 1S -0.00000 0.00561 -0.00878 -0.00492 0.00000 170 2S -0.00000 0.00961 -0.02117 -0.01148 0.00000 171 3S -0.00000 0.01118 -0.02235 -0.01175 0.00000 172 4PX -0.00099 0.00000 -0.00000 -0.00000 -0.00068 173 4PY 0.00000 -0.00020 0.00093 0.00082 -0.00000 174 4PZ -0.00000 0.00026 0.00134 0.00098 -0.00000 175 9 H 1S 0.00000 -0.00000 0.00189 0.00872 0.00000 176 2S 0.00000 -0.00000 0.00844 0.01689 0.00000 177 3S 0.00000 -0.00000 0.00667 0.01130 0.00000 178 4PX -0.00339 0.00000 0.00000 0.00000 -0.00093 179 4PY 0.00000 -0.00062 -0.00000 -0.00000 0.00000 180 4PZ 0.00000 -0.00000 0.00061 0.00088 0.00000 181 10 H 1S 0.00000 -0.00561 -0.00878 -0.00492 -0.00000 182 2S 0.00000 -0.00961 -0.02117 -0.01148 -0.00000 183 3S 0.00000 -0.01118 -0.02235 -0.01175 -0.00000 184 4PX -0.00099 0.00000 0.00000 0.00000 -0.00068 185 4PY 0.00000 -0.00020 -0.00093 -0.00082 0.00000 186 4PZ 0.00000 -0.00026 0.00134 0.00098 0.00000 187 11 H 1S -0.00000 0.01486 -0.01344 -0.01722 -0.00000 188 2S -0.00000 0.02332 -0.02168 -0.02574 -0.00000 189 3S -0.00000 0.01849 -0.02907 -0.02036 -0.00000 190 4PX 0.00418 -0.00000 0.00000 0.00000 -0.00013 191 4PY -0.00000 -0.00011 -0.00153 -0.00205 -0.00000 192 4PZ 0.00000 -0.00163 -0.00032 0.00039 0.00000 151 152 153 154 155 151 5PY 0.00138 152 5PZ -0.00000 0.00478 153 6D 0 0.00000 -0.00005 0.00015 154 6D+1 -0.00000 -0.00000 -0.00000 0.00013 155 6D-1 0.00025 0.00000 -0.00000 -0.00000 0.00067 156 6D+2 -0.00000 0.00051 -0.00002 -0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 158 7D 0 0.00000 -0.00067 0.00055 -0.00000 -0.00000 159 7D+1 -0.00000 -0.00000 -0.00000 0.00051 -0.00000 160 7D-1 0.00016 0.00000 -0.00000 -0.00000 0.00109 161 7D+2 -0.00000 0.00020 0.00018 -0.00000 0.00000 162 7D-2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 163 7 H 1S -0.00399 -0.00661 -0.00099 -0.00000 0.00176 164 2S -0.00576 -0.01077 -0.00147 -0.00000 0.00272 165 3S -0.00207 -0.00726 -0.00007 -0.00000 0.00214 166 4PX -0.00000 -0.00000 0.00000 -0.00014 0.00000 167 4PY 0.00053 0.00081 0.00014 -0.00000 -0.00000 168 4PZ 0.00013 0.00008 0.00007 0.00000 -0.00016 169 8 H 1S -0.00051 -0.00332 -0.00004 0.00000 -0.00011 170 2S -0.00068 -0.00629 0.00002 0.00000 -0.00029 171 3S -0.00031 -0.00420 0.00023 0.00000 -0.00084 172 4PX 0.00000 -0.00000 0.00000 -0.00001 -0.00000 173 4PY 0.00012 0.00044 0.00002 0.00000 -0.00002 174 4PZ 0.00019 0.00033 -0.00000 0.00000 -0.00002 175 9 H 1S -0.00000 0.00130 0.00020 -0.00000 -0.00000 176 2S -0.00000 0.00236 0.00019 -0.00000 0.00000 177 3S -0.00000 0.00340 0.00030 -0.00000 -0.00000 178 4PX 0.00000 0.00000 -0.00000 0.00005 -0.00000 179 4PY -0.00024 0.00000 0.00000 -0.00000 0.00006 180 4PZ 0.00000 -0.00007 -0.00002 -0.00000 -0.00000 181 10 H 1S 0.00051 -0.00332 -0.00004 -0.00000 0.00011 182 2S 0.00068 -0.00629 0.00002 -0.00000 0.00029 183 3S 0.00031 -0.00420 0.00023 -0.00000 0.00084 184 4PX 0.00000 0.00000 -0.00000 -0.00001 0.00000 185 4PY 0.00012 -0.00044 -0.00002 0.00000 -0.00002 186 4PZ -0.00019 0.00033 -0.00000 -0.00000 0.00002 187 11 H 1S 0.00399 -0.00661 -0.00099 0.00000 -0.00176 188 2S 0.00576 -0.01077 -0.00147 0.00000 -0.00272 189 3S 0.00207 -0.00726 -0.00007 0.00000 -0.00214 190 4PX -0.00000 0.00000 0.00000 -0.00014 0.00000 191 4PY 0.00053 -0.00081 -0.00014 0.00000 -0.00000 192 4PZ -0.00013 0.00008 0.00007 -0.00000 0.00016 156 157 158 159 160 156 6D+2 0.00020 157 6D-2 0.00000 0.00009 158 7D 0 -0.00016 0.00000 0.00212 159 7D+1 -0.00000 -0.00000 -0.00000 0.00195 160 7D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00189 161 7D+2 0.00016 -0.00000 0.00059 -0.00000 0.00000 162 7D-2 -0.00000 0.00034 0.00000 -0.00000 -0.00000 163 7 H 1S -0.00100 -0.00000 -0.00271 -0.00000 0.00374 164 2S -0.00147 -0.00000 -0.00396 -0.00000 0.00569 165 3S -0.00072 -0.00000 0.00036 -0.00000 0.00413 166 4PX -0.00000 0.00015 0.00000 -0.00053 0.00000 167 4PY 0.00017 0.00000 0.00038 0.00000 -0.00009 168 4PZ 0.00001 0.00000 0.00022 0.00000 -0.00025 169 8 H 1S -0.00031 -0.00000 0.00029 0.00000 -0.00013 170 2S -0.00072 -0.00000 0.00093 0.00000 -0.00040 171 3S -0.00070 -0.00000 0.00141 0.00000 -0.00125 172 4PX -0.00000 0.00016 0.00000 -0.00002 -0.00000 173 4PY 0.00004 0.00000 0.00003 0.00000 -0.00005 174 4PZ 0.00004 0.00000 -0.00001 0.00000 -0.00011 175 9 H 1S 0.00018 0.00000 0.00094 -0.00000 -0.00000 176 2S 0.00047 0.00000 0.00101 -0.00000 -0.00000 177 3S 0.00049 0.00000 0.00117 -0.00000 -0.00000 178 4PX 0.00000 -0.00000 -0.00000 0.00021 -0.00000 179 4PY 0.00000 0.00000 0.00000 -0.00000 0.00016 180 4PZ 0.00002 0.00000 -0.00005 -0.00000 -0.00000 181 10 H 1S -0.00031 -0.00000 0.00029 -0.00000 0.00013 182 2S -0.00072 -0.00000 0.00093 -0.00000 0.00040 183 3S -0.00070 -0.00000 0.00141 -0.00000 0.00125 184 4PX 0.00000 -0.00016 -0.00000 -0.00002 0.00000 185 4PY -0.00004 -0.00000 -0.00003 0.00000 -0.00005 186 4PZ 0.00004 0.00000 -0.00001 -0.00000 0.00011 187 11 H 1S -0.00100 -0.00000 -0.00271 0.00000 -0.00374 188 2S -0.00147 -0.00000 -0.00396 0.00000 -0.00569 189 3S -0.00072 -0.00000 0.00036 0.00000 -0.00413 190 4PX 0.00000 -0.00015 -0.00000 -0.00053 0.00000 191 4PY -0.00017 -0.00000 -0.00038 0.00000 -0.00009 192 4PZ 0.00001 0.00000 0.00022 -0.00000 0.00025 161 162 163 164 165 161 7D+2 0.00049 162 7D-2 -0.00000 0.00133 163 7 H 1S -0.00319 -0.00000 0.08377 164 2S -0.00457 -0.00000 0.12245 0.17970 165 3S -0.00097 -0.00000 0.04006 0.06021 0.02973 166 4PX -0.00000 0.00059 0.00000 0.00000 0.00000 167 4PY 0.00046 0.00000 -0.01005 -0.01465 -0.00409 168 4PZ 0.00021 0.00000 -0.00662 -0.00958 -0.00239 169 8 H 1S 0.00060 0.00000 -0.00663 -0.01087 -0.00266 170 2S 0.00082 0.00000 -0.01042 -0.01664 -0.00311 171 3S 0.00016 0.00000 -0.00500 -0.00758 -0.00119 172 4PX -0.00000 0.00062 -0.00000 -0.00000 0.00000 173 4PY -0.00005 0.00000 0.00058 0.00097 -0.00015 174 4PZ 0.00008 0.00000 -0.00133 -0.00217 -0.00157 175 9 H 1S 0.00095 0.00000 -0.00350 -0.00546 -0.00656 176 2S 0.00150 0.00000 -0.00571 -0.00866 -0.01065 177 3S 0.00111 0.00000 -0.00611 -0.00945 -0.00850 178 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY 0.00000 0.00000 0.00067 0.00106 0.00084 180 4PZ 0.00006 0.00000 0.00002 0.00002 -0.00032 181 10 H 1S 0.00060 0.00000 0.00170 0.00554 0.00509 182 2S 0.00082 0.00000 0.00525 0.01261 0.01025 183 3S 0.00016 0.00000 0.00511 0.00989 0.00937 184 4PX 0.00000 -0.00062 -0.00000 -0.00000 -0.00000 185 4PY 0.00005 0.00000 0.00036 0.00084 0.00051 186 4PZ 0.00008 0.00000 0.00002 0.00012 -0.00001 187 11 H 1S -0.00319 -0.00000 -0.00206 -0.00335 -0.00234 188 2S -0.00457 -0.00000 -0.00335 -0.00497 -0.00287 189 3S -0.00097 -0.00000 -0.00234 -0.00287 -0.00018 190 4PX 0.00000 -0.00059 -0.00000 -0.00000 -0.00000 191 4PY -0.00046 -0.00000 0.00038 0.00056 0.00033 192 4PZ 0.00021 0.00000 0.00045 0.00081 0.00058 166 167 168 169 170 166 4PX 0.00041 167 4PY -0.00000 0.00132 168 4PZ -0.00000 0.00081 0.00068 169 8 H 1S -0.00000 0.00076 0.00111 0.08316 170 2S -0.00000 0.00112 0.00188 0.12314 0.18324 171 3S -0.00000 0.00029 0.00123 0.03585 0.05533 172 4PX 0.00031 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00000 -0.00009 -0.00013 -0.01075 -0.01580 174 4PZ -0.00000 0.00012 -0.00001 0.00568 0.00824 175 9 H 1S -0.00000 0.00027 -0.00051 -0.00765 -0.01319 176 2S -0.00000 0.00046 -0.00082 -0.01284 -0.02186 177 3S -0.00000 0.00059 -0.00044 -0.00573 -0.00970 178 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 -0.00005 -0.00003 -0.00070 -0.00114 180 4PZ 0.00000 -0.00000 -0.00005 -0.00117 -0.00201 181 10 H 1S 0.00000 -0.00040 -0.00025 -0.00329 -0.00505 182 2S 0.00000 -0.00094 -0.00048 -0.00505 -0.00719 183 3S 0.00000 -0.00054 -0.00029 -0.00633 -0.00877 184 4PX -0.00024 0.00000 0.00000 -0.00000 -0.00000 185 4PY 0.00000 -0.00008 -0.00002 0.00037 0.00059 186 4PZ 0.00000 -0.00000 -0.00002 -0.00053 -0.00095 187 11 H 1S 0.00000 -0.00038 0.00045 0.00170 0.00525 188 2S 0.00000 -0.00056 0.00081 0.00554 0.01261 189 3S 0.00000 -0.00033 0.00058 0.00509 0.01025 190 4PX -0.00011 0.00000 -0.00000 -0.00000 -0.00000 191 4PY 0.00000 -0.00008 0.00002 0.00040 0.00094 192 4PZ 0.00000 -0.00002 -0.00005 -0.00025 -0.00048 171 172 173 174 175 171 3S 0.02407 172 4PX 0.00000 0.00051 173 4PY -0.00383 -0.00000 0.00154 174 4PZ 0.00200 0.00000 -0.00071 0.00056 175 9 H 1S -0.00690 -0.00000 0.00140 0.00012 0.08332 176 2S -0.01121 -0.00000 0.00236 0.00018 0.12340 177 3S -0.00525 -0.00000 0.00129 0.00055 0.03698 178 4PX 0.00000 0.00030 0.00000 0.00000 0.00000 179 4PY -0.00108 0.00000 -0.00005 -0.00010 -0.00000 180 4PZ -0.00099 -0.00000 0.00016 -0.00007 0.01216 181 10 H 1S -0.00633 0.00000 -0.00037 -0.00053 -0.00765 182 2S -0.00877 0.00000 -0.00059 -0.00095 -0.01319 183 3S -0.00655 0.00000 -0.00015 -0.00090 -0.00690 184 4PX -0.00000 -0.00007 0.00000 0.00000 0.00000 185 4PY 0.00015 0.00000 -0.00007 -0.00002 -0.00140 186 4PZ -0.00090 -0.00000 0.00002 -0.00004 0.00012 187 11 H 1S 0.00511 0.00000 -0.00036 0.00002 -0.00350 188 2S 0.00989 0.00000 -0.00084 0.00012 -0.00546 189 3S 0.00937 0.00000 -0.00051 -0.00001 -0.00656 190 4PX -0.00000 -0.00024 0.00000 -0.00000 0.00000 191 4PY 0.00054 0.00000 -0.00008 0.00000 -0.00027 192 4PZ -0.00029 -0.00000 0.00002 -0.00002 -0.00051 176 177 178 179 180 176 2S 0.18345 177 3S 0.05638 0.02411 178 4PX 0.00000 0.00000 0.00045 179 4PY -0.00000 -0.00000 -0.00000 0.00019 180 4PZ 0.01786 0.00442 -0.00000 -0.00000 0.00192 181 10 H 1S -0.01284 -0.00573 -0.00000 0.00070 -0.00117 182 2S -0.02186 -0.00970 -0.00000 0.00114 -0.00201 183 3S -0.01121 -0.00525 -0.00000 0.00108 -0.00099 184 4PX 0.00000 0.00000 0.00030 0.00000 0.00000 185 4PY -0.00236 -0.00129 0.00000 -0.00005 -0.00016 186 4PZ 0.00018 0.00055 -0.00000 0.00010 -0.00007 187 11 H 1S -0.00571 -0.00611 0.00000 -0.00067 0.00002 188 2S -0.00866 -0.00945 0.00000 -0.00106 0.00002 189 3S -0.01065 -0.00850 0.00000 -0.00084 -0.00032 190 4PX 0.00000 0.00000 -0.00002 0.00000 -0.00000 191 4PY -0.00046 -0.00059 0.00000 -0.00005 0.00000 192 4PZ -0.00082 -0.00044 -0.00000 0.00003 -0.00005 181 182 183 184 185 181 10 H 1S 0.08316 182 2S 0.12314 0.18324 183 3S 0.03585 0.05533 0.02407 184 4PX -0.00000 -0.00000 -0.00000 0.00051 185 4PY 0.01075 0.01580 0.00383 -0.00000 0.00154 186 4PZ 0.00568 0.00824 0.00200 -0.00000 0.00071 187 11 H 1S -0.00663 -0.01042 -0.00500 0.00000 -0.00058 188 2S -0.01087 -0.01664 -0.00758 0.00000 -0.00097 189 3S -0.00266 -0.00311 -0.00119 -0.00000 0.00015 190 4PX 0.00000 0.00000 0.00000 0.00031 0.00000 191 4PY -0.00076 -0.00112 -0.00029 0.00000 -0.00009 192 4PZ 0.00111 0.00188 0.00123 -0.00000 0.00013 186 187 188 189 190 186 4PZ 0.00056 187 11 H 1S -0.00133 0.08377 188 2S -0.00217 0.12245 0.17970 189 3S -0.00157 0.04006 0.06021 0.02973 190 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00041 191 4PY -0.00012 0.01005 0.01465 0.00409 -0.00000 192 4PZ -0.00001 -0.00662 -0.00958 -0.00239 0.00000 191 192 191 4PY 0.00132 192 4PZ -0.00081 0.00068 Full Mulliken population analysis: 1 2 3 4 5 1 1 C 1S 0.65869 2 2S 0.49211 0.48942 3 2PX 0.00000 0.00000 0.06623 4 2PY 0.00000 0.00000 0.00000 0.08919 5 2PZ 0.00000 0.00000 0.00000 0.00000 0.09237 6 3S -0.02643 -0.06006 0.00000 0.00000 0.00000 7 3PX 0.00000 0.00000 0.06371 0.00000 0.00000 8 3PY 0.00000 0.00000 0.00000 0.07669 0.00000 9 3PZ 0.00000 0.00000 0.00000 0.00000 0.08142 10 4S -0.00593 -0.01233 0.00000 0.00000 0.00000 11 4PX 0.00000 0.00000 0.01718 0.00000 0.00000 12 4PY 0.00000 0.00000 0.00000 0.01168 0.00000 13 4PZ 0.00000 0.00000 0.00000 0.00000 0.01173 14 5S -0.00374 -0.00550 0.00000 0.00000 0.00000 15 5PX 0.00000 0.00000 0.00087 0.00000 0.00000 16 5PY 0.00000 0.00000 0.00000 0.00046 -0.00000 17 5PZ 0.00000 0.00000 -0.00000 0.00000 0.00075 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 0.00000 -0.00000 -0.00005 29 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00004 30 2PX -0.00000 -0.00000 0.00020 0.00000 -0.00000 31 2PY -0.00000 -0.00000 0.00000 0.00002 0.00000 32 2PZ -0.00005 -0.00004 -0.00000 0.00000 0.00286 33 3S -0.00036 -0.00061 -0.00000 0.00000 0.00782 34 3PX -0.00000 -0.00000 0.00338 0.00000 -0.00000 35 3PY -0.00000 -0.00001 0.00000 0.00035 0.00001 36 3PZ -0.00180 -0.00316 -0.00000 0.00003 0.01982 37 4S -0.00137 -0.00192 -0.00000 -0.00005 0.00421 38 4PX -0.00000 -0.00000 0.00482 0.00000 0.00000 39 4PY -0.00003 -0.00005 0.00000 0.00070 -0.00004 40 4PZ -0.00188 -0.00320 0.00000 -0.00003 0.00403 41 5S 0.00287 0.00400 -0.00000 -0.00002 -0.00034 42 5PX 0.00000 0.00000 0.00015 0.00000 -0.00000 43 5PY 0.00001 0.00001 0.00000 0.00025 0.00000 44 5PZ 0.00080 0.00133 -0.00000 0.00001 0.00025 45 6D 0 -0.00002 -0.00003 -0.00000 0.00000 0.00062 46 6D+1 -0.00000 0.00000 0.00007 0.00000 -0.00000 47 6D-1 -0.00000 -0.00000 0.00000 0.00008 0.00001 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 -0.00111 -0.00145 0.00000 0.00001 0.00039 51 7D+1 0.00000 0.00000 0.00146 0.00000 0.00000 52 7D-1 0.00002 0.00002 0.00000 0.00151 0.00002 53 7D+2 0.00000 0.00000 0.00000 -0.00001 -0.00000 54 7D-2 0.00000 0.00000 -0.00001 -0.00000 -0.00000 55 3 C 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 -0.00002 61 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 62 3PY 0.00000 0.00000 -0.00000 -0.00000 -0.00003 63 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00005 64 4S 0.00018 0.00023 -0.00000 -0.00018 -0.00014 65 4PX 0.00000 0.00000 -0.00006 -0.00000 -0.00000 66 4PY -0.00000 0.00002 -0.00000 -0.00002 -0.00013 67 4PZ 0.00022 0.00033 -0.00000 -0.00027 -0.00048 68 5S -0.00099 -0.00133 -0.00000 -0.00042 0.00042 69 5PX 0.00000 0.00000 0.00006 0.00000 -0.00000 70 5PY 0.00008 0.00020 0.00000 0.00008 -0.00029 71 5PZ -0.00050 -0.00070 -0.00000 -0.00012 0.00004 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 -0.00003 0.00000 0.00003 0.00011 78 7D+1 -0.00000 -0.00000 0.00001 -0.00000 0.00000 79 7D-1 -0.00002 -0.00002 0.00000 -0.00001 0.00013 80 7D+2 0.00001 0.00001 0.00000 0.00000 -0.00002 81 7D-2 0.00000 0.00000 0.00004 -0.00000 -0.00000 82 4 C 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 -0.00009 -0.00009 0.00000 0.00003 0.00001 92 4PX -0.00000 -0.00000 -0.00027 0.00000 -0.00000 93 4PY -0.00008 -0.00007 0.00000 0.00006 -0.00015 94 4PZ -0.00004 -0.00003 -0.00000 -0.00007 0.00003 95 5S 0.00149 0.00205 -0.00000 -0.00001 -0.00057 96 5PX 0.00000 0.00000 -0.00031 0.00000 -0.00000 97 5PY 0.00013 0.00027 0.00000 0.00006 -0.00015 98 5PZ 0.00029 0.00032 -0.00000 -0.00005 -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 0.00001 -0.00000 -0.00003 0.00001 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 C 1S -0.00000 0.00000 0.00000 0.00000 0.00000 110 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 2PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 112 2PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 113 2PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 3S 0.00000 0.00000 -0.00000 -0.00004 -0.00000 115 3PX 0.00000 0.00000 -0.00001 -0.00000 0.00000 116 3PY 0.00000 0.00001 -0.00000 -0.00014 -0.00000 117 3PZ 0.00000 -0.00000 -0.00000 0.00000 -0.00000 118 4S 0.00021 0.00023 -0.00000 -0.00056 -0.00000 119 4PX 0.00000 0.00000 -0.00033 -0.00000 -0.00000 120 4PY 0.00029 0.00039 -0.00000 -0.00106 -0.00000 121 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00001 122 5S -0.00132 -0.00174 0.00000 0.00003 -0.00000 123 5PX 0.00000 0.00000 0.00006 -0.00000 0.00000 124 5PY 0.00022 0.00017 -0.00000 -0.00011 -0.00000 125 5PZ 0.00000 -0.00000 -0.00000 0.00000 0.00016 126 6D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 131 7D 0 -0.00003 -0.00004 0.00000 0.00021 -0.00000 132 7D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 133 7D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00003 134 7D+2 -0.00000 -0.00002 0.00000 0.00028 -0.00000 135 7D-2 -0.00000 -0.00000 0.00008 0.00000 -0.00000 136 6 N 1S 0.00000 0.00000 -0.00000 -0.00002 -0.00001 137 2S 0.00000 -0.00000 -0.00000 -0.00002 -0.00001 138 2PX -0.00000 -0.00000 0.00013 0.00000 0.00000 139 2PY -0.00002 -0.00001 0.00000 0.00102 0.00044 140 2PZ -0.00001 -0.00000 0.00000 0.00052 0.00009 141 3S -0.00014 -0.00022 0.00000 0.00410 0.00145 142 3PX -0.00000 -0.00000 0.00265 0.00000 0.00000 143 3PY -0.00087 -0.00145 0.00000 0.00982 0.00477 144 3PZ -0.00037 -0.00063 0.00000 0.00578 0.00060 145 4S -0.00108 -0.00111 0.00000 0.00257 0.00038 146 4PX -0.00000 -0.00000 0.00570 0.00000 0.00000 147 4PY -0.00210 -0.00334 0.00000 0.00288 0.00210 148 4PZ -0.00124 -0.00210 0.00000 0.00398 -0.00089 149 5S 0.00090 0.00142 -0.00000 -0.00051 -0.00041 150 5PX 0.00000 0.00000 -0.00012 -0.00000 -0.00000 151 5PY 0.00039 0.00042 -0.00000 -0.00001 -0.00015 152 5PZ 0.00015 0.00016 0.00000 0.00000 -0.00057 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00001 154 6D+1 -0.00000 -0.00000 0.00001 0.00000 0.00000 155 6D-1 -0.00001 -0.00000 0.00000 0.00024 0.00003 156 6D+2 -0.00000 -0.00000 0.00000 0.00004 0.00006 157 6D-2 -0.00000 -0.00000 0.00002 -0.00000 0.00000 158 7D 0 0.00000 0.00002 0.00000 0.00028 0.00031 159 7D+1 -0.00000 -0.00000 0.00065 0.00000 -0.00000 160 7D-1 -0.00056 -0.00083 0.00000 0.00164 0.00002 161 7D+2 -0.00031 -0.00041 0.00000 -0.00015 0.00040 162 7D-2 -0.00000 -0.00000 0.00100 -0.00000 0.00000 163 7 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 -0.00001 0.00000 0.00013 0.00001 166 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 167 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00000 0.00000 0.00000 0.00000 0.00000 169 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 170 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 171 3S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 172 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 173 4PY -0.00000 0.00000 0.00000 0.00000 -0.00000 174 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 175 9 H 1S -0.00000 0.00000 -0.00000 -0.00000 0.00000 176 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 177 3S -0.00001 -0.00001 -0.00000 -0.00000 0.00009 178 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 4PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 181 10 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 182 2S 0.00001 0.00002 -0.00000 -0.00006 -0.00023 183 3S 0.00006 0.00011 -0.00000 -0.00027 -0.00066 184 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 185 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 186 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00001 187 11 H 1S -0.00026 -0.00036 0.00000 0.00577 0.00250 188 2S -0.00245 -0.00437 0.00000 0.01383 0.00613 189 3S 0.00004 0.00001 0.00000 0.00177 0.00104 190 4PX 0.00000 -0.00000 0.00049 0.00000 0.00000 191 4PY -0.00040 -0.00063 0.00000 0.00118 0.00105 192 4PZ -0.00017 -0.00028 0.00000 0.00110 0.00001 6 7 8 9 10 6 3S 0.44487 7 3PX 0.00000 0.15487 8 3PY 0.00000 0.00000 0.16711 9 3PZ 0.00000 0.00000 0.00000 0.18155 10 4S 0.15261 0.00000 0.00000 0.00000 0.11540 11 4PX 0.00000 0.07795 0.00000 0.00000 0.00000 12 4PY 0.00000 0.00000 0.04737 0.00000 0.00000 13 4PZ 0.00000 0.00000 -0.00000 0.04896 0.00000 14 5S 0.05526 0.00000 0.00000 0.00000 0.05810 15 5PX 0.00000 0.00523 0.00000 0.00000 0.00000 16 5PY 0.00000 0.00000 0.00233 -0.00000 0.00000 17 5PZ 0.00000 -0.00000 0.00000 0.00404 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 -0.00036 -0.00000 -0.00000 -0.00177 -0.00014 29 2S -0.00062 -0.00000 -0.00000 -0.00312 -0.00040 30 2PX 0.00000 0.00340 0.00000 -0.00000 -0.00000 31 2PY 0.00002 0.00000 0.00030 0.00002 -0.00001 32 2PZ 0.00807 -0.00000 0.00004 0.02001 0.00259 33 3S 0.01476 -0.00000 0.00001 0.04202 0.00683 34 3PX 0.00000 0.02008 0.00000 0.00000 -0.00000 35 3PY 0.00010 0.00000 0.00197 0.00007 -0.00007 36 3PZ 0.04296 0.00000 0.00013 0.06191 0.01219 37 4S 0.01505 -0.00000 -0.00022 0.02030 -0.00339 38 4PX 0.00000 0.02564 0.00000 0.00000 0.00000 39 4PY 0.00048 0.00000 0.00356 -0.00013 0.00004 40 4PZ 0.03062 0.00000 -0.00008 0.01280 0.00612 41 5S -0.03612 -0.00000 -0.00007 -0.00177 -0.04864 42 5PX 0.00000 0.00095 0.00000 -0.00000 0.00000 43 5PY 0.00008 0.00000 0.00145 0.00002 0.00000 44 5PZ -0.01572 -0.00000 0.00004 0.00151 -0.01410 45 6D 0 0.00111 0.00000 0.00001 0.00148 0.00015 46 6D+1 -0.00000 0.00051 0.00000 -0.00000 -0.00000 47 6D-1 0.00001 0.00000 0.00048 0.00002 -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 0.00446 0.00000 0.00001 0.00052 0.00101 51 7D+1 -0.00000 0.00550 0.00000 -0.00000 -0.00000 52 7D-1 -0.00002 0.00000 0.00500 0.00003 -0.00005 53 7D+2 0.00000 0.00000 -0.00002 -0.00000 0.00000 54 7D-2 -0.00000 -0.00003 -0.00000 -0.00000 -0.00000 55 3 C 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 -0.00000 -0.00000 -0.00000 58 2PY -0.00001 -0.00000 -0.00000 -0.00003 -0.00005 59 2PZ -0.00001 -0.00000 -0.00000 -0.00005 -0.00027 60 3S -0.00019 -0.00000 -0.00008 -0.00059 -0.00114 61 3PX -0.00000 0.00002 -0.00000 -0.00000 -0.00000 62 3PY -0.00018 -0.00000 -0.00002 -0.00050 -0.00032 63 3PZ -0.00043 -0.00000 -0.00009 -0.00080 -0.00176 64 4S -0.00270 -0.00000 -0.00122 -0.00090 -0.00116 65 4PX -0.00000 -0.00032 0.00000 -0.00000 -0.00000 66 4PY -0.00064 0.00000 -0.00002 -0.00069 -0.00024 67 4PZ -0.00422 -0.00000 -0.00147 -0.00231 -0.00199 68 5S 0.01147 -0.00000 -0.00246 0.00253 0.01729 69 5PX -0.00000 0.00037 0.00000 -0.00000 -0.00000 70 5PY -0.00392 0.00000 0.00051 -0.00164 -0.00225 71 5PZ 0.00607 -0.00000 -0.00058 0.00018 0.00817 72 6D 0 0.00000 0.00000 0.00000 0.00002 0.00001 73 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 74 6D-1 0.00000 0.00000 0.00000 0.00001 0.00000 75 6D+2 -0.00000 0.00000 0.00000 -0.00001 -0.00000 76 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 77 7D 0 0.00063 0.00000 0.00019 0.00062 0.00029 78 7D+1 0.00000 0.00011 -0.00000 0.00000 0.00000 79 7D-1 0.00030 0.00000 -0.00004 0.00083 0.00017 80 7D+2 -0.00010 0.00000 -0.00000 -0.00011 -0.00005 81 7D-2 -0.00000 0.00039 -0.00000 -0.00000 -0.00000 82 4 C 1S 0.00000 0.00000 0.00000 0.00000 0.00002 83 2S 0.00000 0.00000 0.00000 0.00000 0.00002 84 2PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 85 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00010 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00004 87 3S -0.00004 -0.00000 -0.00009 -0.00003 -0.00044 88 3PX -0.00000 -0.00011 -0.00000 -0.00000 -0.00000 89 3PY -0.00008 -0.00000 -0.00011 -0.00012 -0.00077 90 3PZ -0.00004 -0.00000 -0.00012 0.00002 -0.00028 91 4S 0.00039 0.00000 0.00006 0.00008 -0.00151 92 4PX -0.00000 -0.00209 0.00000 -0.00000 -0.00000 93 4PY -0.00005 0.00000 0.00024 -0.00097 -0.00188 94 4PZ -0.00016 -0.00000 -0.00060 0.00015 -0.00120 95 5S -0.01968 -0.00000 -0.00029 -0.00333 -0.02575 96 5PX -0.00000 -0.00200 0.00000 -0.00000 -0.00000 97 5PY -0.00439 0.00000 0.00029 -0.00088 -0.00429 98 5PZ -0.00124 -0.00000 -0.00038 -0.00015 -0.00313 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 -0.00003 -0.00003 105 7D+1 -0.00000 -0.00001 -0.00000 0.00000 -0.00000 106 7D-1 -0.00026 -0.00000 -0.00029 0.00009 -0.00040 107 7D+2 -0.00003 0.00000 0.00003 0.00001 -0.00008 108 7D-2 -0.00000 0.00005 -0.00000 -0.00000 -0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00021 110 2S 0.00000 0.00000 0.00001 -0.00000 0.00023 111 2PX -0.00000 -0.00001 -0.00000 0.00000 -0.00000 112 2PY -0.00004 -0.00000 -0.00014 0.00000 -0.00056 113 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 114 3S -0.00030 -0.00000 -0.00093 0.00000 -0.00101 115 3PX -0.00000 -0.00021 -0.00000 -0.00000 -0.00000 116 3PY -0.00093 -0.00000 -0.00179 0.00000 -0.00314 117 3PZ -0.00000 -0.00000 -0.00000 -0.00005 0.00000 118 4S -0.00101 -0.00000 -0.00314 0.00000 0.00470 119 4PX -0.00000 -0.00224 -0.00000 -0.00000 -0.00000 120 4PY -0.00353 -0.00000 -0.00471 0.00000 -0.00097 121 4PZ 0.00000 0.00000 0.00000 -0.00008 0.00000 122 5S 0.01466 0.00000 0.00057 0.00000 0.02082 123 5PX 0.00000 0.00038 -0.00000 0.00000 0.00000 124 5PY 0.00134 -0.00000 -0.00052 -0.00000 0.00016 125 5PZ -0.00000 -0.00000 0.00000 0.00081 -0.00000 126 6D 0 0.00001 0.00000 0.00004 -0.00000 0.00002 127 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 129 6D+2 0.00001 0.00000 0.00004 -0.00000 -0.00000 130 6D-2 0.00000 0.00001 0.00000 -0.00000 0.00000 131 7D 0 0.00077 0.00000 0.00117 -0.00000 0.00053 132 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 133 7D-1 -0.00000 -0.00000 -0.00000 -0.00028 -0.00000 134 7D+2 0.00091 0.00000 0.00149 -0.00000 0.00046 135 7D-2 0.00000 0.00069 0.00000 -0.00000 0.00000 136 6 N 1S -0.00022 -0.00000 -0.00085 -0.00031 0.00208 137 2S -0.00035 -0.00000 -0.00147 -0.00053 0.00270 138 2PX 0.00000 0.00269 0.00000 0.00000 0.00000 139 2PY 0.00440 0.00000 0.00746 0.00398 0.00149 140 2PZ 0.00203 0.00000 0.00516 0.00039 0.00114 141 3S 0.00740 0.00000 0.02258 0.00807 -0.02456 142 3PX 0.00000 0.01705 0.00000 0.00000 0.00000 143 3PY 0.02645 0.00000 0.02749 0.01706 0.00808 144 3PZ 0.01237 0.00000 0.02271 -0.00016 0.00612 145 4S -0.00162 0.00000 0.00872 0.00083 -0.05552 146 4PX 0.00000 0.02819 0.00000 0.00000 0.00000 147 4PY 0.02725 0.00000 0.00628 0.00768 0.00932 148 4PZ 0.01966 0.00000 0.01637 -0.00597 0.01351 149 5S -0.01650 -0.00000 -0.00321 -0.00230 -0.02073 150 5PX -0.00000 -0.00076 -0.00000 0.00000 -0.00000 151 5PY -0.00088 -0.00000 -0.00006 -0.00073 -0.00118 152 5PZ -0.00029 0.00000 0.00009 -0.00317 0.00157 153 6D 0 -0.00001 0.00000 0.00004 0.00008 -0.00000 154 6D+1 0.00000 0.00011 0.00000 0.00000 0.00000 155 6D-1 0.00041 0.00000 0.00066 0.00004 0.00004 156 6D+2 0.00015 0.00000 0.00009 0.00019 0.00001 157 6D-2 0.00000 0.00017 -0.00000 0.00000 0.00000 158 7D 0 -0.00017 0.00000 0.00119 0.00084 -0.00004 159 7D+1 0.00000 0.00231 0.00000 0.00000 0.00000 160 7D-1 0.00378 0.00000 0.00271 -0.00004 0.00049 161 7D+2 0.00115 0.00000 -0.00007 0.00083 0.00014 162 7D-2 0.00000 0.00361 -0.00000 0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00005 164 2S 0.00001 0.00000 0.00005 0.00001 0.00040 165 3S 0.00055 0.00000 0.00096 0.00010 0.00160 166 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 167 4PY -0.00000 0.00000 0.00000 0.00000 0.00001 168 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 169 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 -0.00000 0.00005 171 3S 0.00003 0.00000 0.00002 -0.00001 0.00013 172 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 174 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 175 9 H 1S 0.00000 -0.00000 -0.00000 0.00000 0.00002 176 2S 0.00000 -0.00000 -0.00000 0.00002 0.00016 177 3S 0.00027 -0.00000 -0.00001 0.00068 0.00054 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 181 10 H 1S -0.00006 -0.00000 -0.00003 -0.00016 -0.00033 182 2S -0.00141 -0.00000 -0.00058 -0.00243 -0.00166 183 3S -0.00170 -0.00000 -0.00151 -0.00383 -0.00132 184 4PX -0.00000 0.00004 -0.00000 -0.00000 -0.00000 185 4PY -0.00003 -0.00000 -0.00000 -0.00005 -0.00004 186 4PZ 0.00003 -0.00000 0.00000 0.00016 0.00004 187 11 H 1S 0.01690 0.00000 0.02736 0.01221 0.01774 188 2S 0.05222 0.00000 0.05087 0.02330 0.05502 189 3S 0.00060 0.00000 0.00799 0.00508 0.01455 190 4PX 0.00000 0.00217 0.00000 0.00000 0.00000 191 4PY 0.00497 0.00000 0.00168 0.00240 0.00172 192 4PZ 0.00228 0.00000 0.00246 -0.00003 0.00082 11 12 13 14 15 11 4PX 0.09333 12 4PY 0.00000 0.03792 13 4PZ 0.00000 0.00000 0.03327 14 5S 0.00000 0.00000 0.00000 0.16076 15 5PX 0.01140 0.00000 0.00000 0.00000 0.00382 16 5PY 0.00000 0.00325 -0.00000 0.00000 0.00000 17 5PZ 0.00000 0.00000 0.00282 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 -0.00000 -0.00001 -0.00115 -0.00241 0.00000 29 2S -0.00000 -0.00001 -0.00223 -0.00311 0.00000 30 2PX 0.00467 0.00000 0.00000 0.00000 0.00031 31 2PY 0.00000 -0.00056 -0.00000 0.00003 0.00000 32 2PZ 0.00000 0.00002 0.00311 0.00025 -0.00000 33 3S -0.00000 -0.00010 0.02494 0.02196 -0.00000 34 3PX 0.02467 0.00000 0.00000 0.00000 0.00190 35 3PY 0.00000 -0.00233 -0.00001 0.00016 0.00000 36 3PZ 0.00000 0.00006 0.00978 0.00134 -0.00000 37 4S -0.00000 -0.00016 0.01409 0.01972 -0.00000 38 4PX 0.03997 0.00000 0.00000 0.00000 0.00439 39 4PY 0.00000 -0.00290 -0.00011 0.00029 0.00000 40 4PZ 0.00000 -0.00001 0.00010 0.00030 -0.00000 41 5S -0.00000 -0.00011 0.00182 -0.13854 -0.00000 42 5PX 0.00312 0.00000 -0.00000 -0.00000 -0.00035 43 5PY 0.00000 0.00137 0.00003 -0.00008 -0.00000 44 5PZ -0.00000 0.00004 0.00133 -0.02305 0.00000 45 6D 0 0.00000 0.00000 -0.00003 0.00001 -0.00000 46 6D+1 0.00026 0.00000 -0.00000 -0.00000 0.00001 47 6D-1 0.00000 0.00019 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 0.00001 -0.00019 0.00018 0.00000 51 7D+1 0.00380 0.00000 -0.00000 -0.00000 0.00020 52 7D-1 0.00000 0.00202 0.00000 -0.00000 0.00000 53 7D+2 -0.00000 -0.00002 -0.00000 -0.00000 -0.00000 54 7D-2 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 55 3 C 1S 0.00000 0.00007 0.00005 -0.00012 -0.00000 56 2S 0.00000 0.00010 0.00012 -0.00014 -0.00000 57 2PX -0.00005 -0.00000 -0.00000 0.00000 -0.00006 58 2PY -0.00000 -0.00001 -0.00013 0.00040 -0.00000 59 2PZ -0.00000 -0.00015 -0.00053 0.00017 0.00000 60 3S -0.00000 -0.00120 -0.00263 0.00028 0.00000 61 3PX -0.00034 0.00000 -0.00000 0.00000 -0.00034 62 3PY 0.00000 -0.00001 -0.00075 0.00236 -0.00000 63 3PZ -0.00000 -0.00082 -0.00260 0.00089 0.00000 64 4S -0.00000 -0.00141 -0.00005 -0.00722 0.00000 65 4PX -0.00198 0.00000 -0.00000 0.00000 -0.00133 66 4PY 0.00000 0.00045 -0.00048 0.00371 -0.00000 67 4PZ -0.00000 -0.00105 -0.00244 -0.00077 -0.00000 68 5S -0.00000 -0.00350 0.00271 0.02552 -0.00000 69 5PX 0.00057 0.00000 -0.00000 -0.00000 0.00018 70 5PY 0.00000 0.00083 -0.00204 -0.00110 -0.00000 71 5PZ -0.00000 -0.00051 0.00001 0.01220 -0.00000 72 6D 0 0.00000 -0.00000 0.00002 0.00000 0.00000 73 6D+1 0.00001 0.00000 -0.00000 -0.00000 0.00000 74 6D-1 0.00000 0.00000 0.00003 0.00001 -0.00000 75 6D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 76 6D-2 0.00004 -0.00000 -0.00000 -0.00000 0.00000 77 7D 0 0.00000 0.00002 0.00012 0.00026 0.00000 78 7D+1 0.00019 0.00000 0.00000 -0.00000 0.00003 79 7D-1 0.00000 0.00001 0.00046 0.00006 0.00000 80 7D+2 0.00000 -0.00003 -0.00005 -0.00002 -0.00000 81 7D-2 0.00097 -0.00000 0.00000 -0.00000 0.00007 82 4 C 1S 0.00000 0.00006 0.00001 -0.00003 0.00000 83 2S 0.00000 0.00008 0.00002 -0.00007 0.00000 84 2PX -0.00027 0.00000 -0.00000 -0.00000 -0.00010 85 2PY 0.00000 -0.00010 -0.00019 -0.00024 0.00000 86 2PZ -0.00000 -0.00011 0.00000 0.00032 0.00000 87 3S -0.00000 -0.00088 -0.00046 0.00086 0.00000 88 3PX -0.00215 -0.00000 -0.00000 -0.00000 -0.00064 89 3PY -0.00000 -0.00071 -0.00117 -0.00149 0.00000 90 3PZ -0.00000 -0.00066 -0.00001 0.00192 0.00000 91 4S -0.00000 -0.00167 -0.00028 0.00216 0.00000 92 4PX -0.00841 0.00000 -0.00000 -0.00000 -0.00215 93 4PY 0.00000 -0.00075 -0.00249 -0.00158 0.00000 94 4PZ -0.00000 -0.00149 0.00000 0.00223 0.00000 95 5S -0.00000 -0.00117 -0.00281 -0.07937 0.00000 96 5PX -0.00542 0.00000 -0.00000 -0.00000 -0.00219 97 5PY 0.00000 0.00027 -0.00111 -0.00199 -0.00000 98 5PZ -0.00000 -0.00083 -0.00091 -0.01146 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 -0.00001 0.00000 0.00001 -0.00000 102 6D+2 -0.00000 -0.00000 -0.00001 -0.00000 0.00000 103 6D-2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 104 7D 0 0.00000 0.00002 -0.00004 -0.00002 -0.00000 105 7D+1 -0.00007 -0.00000 0.00000 -0.00000 0.00003 106 7D-1 -0.00000 -0.00033 0.00003 -0.00006 -0.00000 107 7D+2 0.00000 -0.00000 -0.00001 0.00005 0.00000 108 7D-2 0.00016 -0.00000 -0.00000 -0.00000 0.00001 109 5 C 1S 0.00000 0.00029 -0.00000 -0.00132 0.00000 110 2S 0.00000 0.00039 0.00000 -0.00174 0.00000 111 2PX -0.00033 -0.00000 -0.00000 0.00000 0.00006 112 2PY -0.00000 -0.00106 -0.00000 0.00003 -0.00000 113 2PZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 114 3S -0.00000 -0.00353 0.00000 0.01466 0.00000 115 3PX -0.00224 -0.00000 -0.00000 0.00000 0.00038 116 3PY -0.00000 -0.00471 0.00000 0.00057 -0.00000 117 3PZ -0.00000 0.00000 -0.00008 0.00000 -0.00000 118 4S -0.00000 -0.00097 -0.00000 0.02082 0.00000 119 4PX -0.00793 -0.00000 -0.00000 0.00000 0.00032 120 4PY -0.00000 -0.00404 0.00000 0.00160 -0.00000 121 4PZ -0.00000 -0.00000 0.00033 0.00000 -0.00000 122 5S 0.00000 0.00160 0.00000 0.07614 -0.00000 123 5PX 0.00032 0.00000 0.00000 -0.00000 0.00107 124 5PY 0.00000 -0.00048 -0.00000 -0.00582 0.00000 125 5PZ -0.00000 0.00000 -0.00007 -0.00000 0.00000 126 6D 0 0.00000 0.00004 -0.00000 0.00001 0.00000 127 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 128 6D-1 -0.00000 -0.00000 -0.00002 -0.00000 -0.00000 129 6D+2 0.00000 0.00002 -0.00000 0.00001 0.00000 130 6D-2 0.00006 0.00000 -0.00000 0.00000 0.00001 131 7D 0 0.00000 0.00037 -0.00000 0.00027 0.00000 132 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 133 7D-1 -0.00000 -0.00000 -0.00047 -0.00000 0.00000 134 7D+2 0.00000 0.00046 0.00000 0.00030 0.00000 135 7D-2 0.00129 0.00000 -0.00000 0.00000 0.00016 136 6 N 1S 0.00000 0.00102 -0.00044 0.00122 0.00000 137 2S 0.00000 0.00104 -0.00058 0.00202 -0.00000 138 2PX 0.00310 0.00000 0.00000 0.00000 0.00042 139 2PY 0.00000 0.00049 0.00070 0.00029 -0.00000 140 2PZ 0.00000 0.00119 -0.00074 0.00078 0.00000 141 3S -0.00000 -0.00146 0.00435 -0.03006 0.00000 142 3PX 0.01777 0.00000 0.00000 0.00000 0.00274 143 3PY 0.00000 0.00114 0.00334 0.00180 -0.00000 144 3PZ 0.00000 0.00578 -0.00450 0.00480 0.00000 145 4S -0.00000 -0.01057 -0.00209 -0.08461 0.00000 146 4PX 0.03509 -0.00000 -0.00000 0.00000 0.00768 147 4PY -0.00000 -0.00313 0.00231 0.00313 -0.00000 148 4PZ 0.00000 0.00730 -0.01127 0.01375 0.00000 149 5S -0.00000 -0.00294 -0.00415 -0.05461 0.00000 150 5PX -0.00087 -0.00000 0.00000 -0.00000 -0.00016 151 5PY -0.00000 -0.00040 -0.00060 -0.00115 0.00000 152 5PZ -0.00000 0.00019 -0.00387 0.00060 0.00000 153 6D 0 0.00000 0.00002 0.00001 -0.00000 -0.00000 154 6D+1 0.00004 0.00000 -0.00000 0.00000 0.00000 155 6D-1 -0.00000 0.00002 -0.00001 0.00000 -0.00000 156 6D+2 0.00000 -0.00000 0.00002 0.00000 0.00000 157 6D-2 0.00008 -0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00048 0.00002 -0.00002 -0.00000 159 7D+1 0.00112 0.00000 0.00000 0.00000 0.00007 160 7D-1 -0.00000 0.00002 0.00007 0.00003 0.00000 161 7D+2 0.00000 0.00024 0.00012 -0.00001 0.00000 162 7D-2 0.00215 -0.00000 -0.00000 -0.00000 0.00006 163 7 H 1S 0.00000 0.00015 0.00001 0.00053 0.00000 164 2S 0.00000 0.00110 0.00009 0.00179 0.00000 165 3S 0.00000 0.00264 0.00022 0.00345 0.00000 166 4PX -0.00001 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00002 0.00001 0.00002 0.00000 168 4PZ 0.00000 0.00001 -0.00000 0.00001 0.00000 169 8 H 1S 0.00000 0.00001 0.00001 0.00010 -0.00000 170 2S 0.00000 0.00005 0.00003 0.00062 -0.00000 171 3S -0.00000 -0.00005 -0.00002 0.00202 -0.00000 172 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00001 173 4PY 0.00000 0.00000 0.00000 -0.00001 -0.00000 174 4PZ -0.00000 -0.00000 0.00000 0.00001 -0.00000 175 9 H 1S 0.00000 0.00000 0.00009 -0.00012 0.00000 176 2S 0.00000 0.00001 0.00075 -0.00097 0.00000 177 3S 0.00000 0.00008 0.00189 0.00037 -0.00000 178 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00001 179 4PY 0.00000 -0.00000 -0.00000 0.00002 -0.00000 180 4PZ -0.00000 -0.00000 0.00002 -0.00004 0.00000 181 10 H 1S -0.00000 -0.00075 -0.00112 -0.00100 -0.00000 182 2S -0.00000 -0.00308 -0.00490 -0.00363 -0.00000 183 3S -0.00000 -0.00250 -0.00515 -0.00260 -0.00000 184 4PX 0.00029 0.00000 -0.00000 0.00000 0.00004 185 4PY 0.00000 0.00001 -0.00010 0.00000 0.00000 186 4PZ -0.00000 -0.00007 0.00019 -0.00004 -0.00000 187 11 H 1S 0.00000 0.01461 0.00538 0.00331 0.00000 188 2S 0.00000 0.03567 0.01343 0.01081 0.00000 189 3S 0.00000 0.00834 0.00519 0.01060 0.00000 190 4PX 0.00173 -0.00000 0.00000 0.00000 0.00014 191 4PY -0.00000 -0.00038 0.00044 0.00010 -0.00000 192 4PZ 0.00000 0.00055 -0.00005 0.00006 0.00000 16 17 18 19 20 16 5PY 0.00356 17 5PZ -0.00000 0.01119 18 6D 0 0.00000 0.00000 0.00081 19 6D+1 0.00000 0.00000 0.00000 0.00022 20 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00088 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 0.00043 0.00000 -0.00000 24 7D+1 0.00000 0.00000 0.00000 0.00029 0.00000 25 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00059 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 -0.00055 -0.00003 0.00000 -0.00000 29 2S 0.00001 -0.00073 -0.00003 0.00000 -0.00000 30 2PX 0.00000 -0.00000 -0.00000 0.00009 0.00000 31 2PY 0.00006 0.00001 0.00000 0.00000 0.00009 32 2PZ 0.00001 -0.00019 0.00067 -0.00000 0.00000 33 3S -0.00008 0.00505 0.00114 -0.00000 0.00000 34 3PX 0.00000 -0.00000 0.00000 0.00059 0.00000 35 3PY 0.00042 0.00003 0.00001 0.00000 0.00054 36 3PZ 0.00005 -0.00114 0.00159 -0.00000 0.00001 37 4S -0.00011 0.00387 0.00022 0.00000 0.00001 38 4PX 0.00000 -0.00000 0.00000 0.00031 0.00000 39 4PY 0.00013 0.00005 -0.00000 0.00000 0.00016 40 4PZ 0.00005 -0.00177 -0.00004 -0.00000 0.00000 41 5S -0.00007 -0.01877 0.00000 0.00000 0.00000 42 5PX -0.00000 -0.00000 -0.00000 0.00001 -0.00000 43 5PY -0.00176 0.00000 -0.00000 -0.00000 -0.00000 44 5PZ -0.00003 0.00788 0.00000 0.00000 -0.00000 45 6D 0 0.00000 -0.00001 0.00010 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 -0.00005 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 -0.00012 0.00000 0.00000 -0.00000 51 7D+1 0.00000 -0.00000 0.00000 -0.00003 -0.00000 52 7D-1 0.00006 0.00000 0.00000 -0.00000 -0.00016 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 C 1S -0.00005 -0.00005 -0.00000 -0.00000 -0.00000 56 2S -0.00009 -0.00004 -0.00000 0.00000 0.00000 57 2PX -0.00000 0.00000 -0.00000 0.00000 0.00000 58 2PY -0.00009 0.00007 -0.00000 0.00000 0.00000 59 2PZ 0.00003 -0.00000 0.00000 0.00000 0.00000 60 3S 0.00122 -0.00050 -0.00000 0.00000 0.00001 61 3PX -0.00000 0.00000 -0.00000 0.00001 0.00000 62 3PY -0.00054 0.00039 -0.00000 0.00000 0.00001 63 3PZ 0.00018 -0.00002 0.00000 0.00000 0.00002 64 4S 0.00105 -0.00249 0.00000 -0.00000 0.00003 65 4PX -0.00000 0.00000 -0.00000 0.00007 0.00000 66 4PY -0.00065 0.00062 -0.00000 -0.00000 0.00001 67 4PZ 0.00016 -0.00005 -0.00000 -0.00000 0.00005 68 5S -0.00041 0.00501 0.00002 -0.00000 0.00002 69 5PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 70 5PY -0.00102 -0.00049 -0.00001 0.00000 -0.00000 71 5PZ -0.00034 -0.00114 -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 -0.00002 -0.00011 0.00000 0.00000 0.00000 78 7D+1 0.00000 -0.00000 0.00000 0.00000 0.00000 79 7D-1 0.00003 0.00001 0.00001 0.00000 0.00001 80 7D+2 -0.00001 -0.00001 -0.00000 0.00000 -0.00000 81 7D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 82 4 C 1S 0.00008 -0.00009 0.00000 0.00000 0.00000 83 2S 0.00006 -0.00011 -0.00000 -0.00000 -0.00000 84 2PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 85 2PY 0.00001 -0.00005 0.00000 -0.00000 -0.00000 86 2PZ 0.00013 -0.00004 -0.00000 0.00000 0.00000 87 3S 0.00045 0.00071 -0.00000 -0.00000 -0.00000 88 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 89 3PY 0.00005 -0.00031 0.00000 -0.00000 -0.00000 90 3PZ 0.00073 -0.00027 -0.00000 -0.00000 0.00000 91 4S 0.00040 0.00091 -0.00000 0.00000 -0.00001 92 4PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 93 4PY 0.00006 -0.00036 -0.00000 0.00000 -0.00001 94 4PZ 0.00105 -0.00038 -0.00001 0.00000 -0.00000 95 5S 0.00514 -0.01267 0.00000 0.00000 -0.00002 96 5PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 97 5PY -0.00015 -0.00052 -0.00000 0.00000 -0.00000 98 5PZ 0.00032 0.00390 -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 -0.00001 -0.00006 0.00000 0.00000 0.00000 105 7D+1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 7D-1 -0.00001 -0.00000 0.00000 0.00000 0.00001 107 7D+2 -0.00001 0.00001 0.00000 0.00000 0.00000 108 7D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00022 0.00000 -0.00000 0.00000 0.00000 110 2S 0.00017 -0.00000 -0.00000 -0.00000 0.00000 111 2PX -0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY -0.00011 -0.00000 0.00000 -0.00000 -0.00000 113 2PZ 0.00000 0.00016 -0.00000 -0.00000 -0.00000 114 3S 0.00134 -0.00000 0.00001 -0.00000 0.00000 115 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY -0.00052 -0.00000 0.00004 -0.00000 0.00000 117 3PZ 0.00000 0.00081 -0.00000 -0.00000 -0.00001 118 4S 0.00016 -0.00000 0.00002 -0.00000 0.00000 119 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 120 4PY -0.00048 -0.00000 0.00004 -0.00000 0.00000 121 4PZ 0.00000 -0.00007 -0.00000 -0.00000 -0.00002 122 5S -0.00582 0.00000 0.00001 -0.00000 0.00000 123 5PX 0.00000 -0.00000 0.00000 0.00000 0.00000 124 5PY 0.00027 0.00000 0.00000 -0.00000 0.00000 125 5PZ -0.00000 0.00639 0.00000 0.00000 0.00000 126 6D 0 0.00000 0.00000 0.00000 -0.00000 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 130 6D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00001 -0.00000 -0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 -0.00000 133 7D-1 -0.00000 0.00020 -0.00000 -0.00000 -0.00000 134 7D+2 0.00001 -0.00000 0.00001 0.00000 -0.00000 135 7D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 136 6 N 1S 0.00001 -0.00019 0.00000 -0.00000 -0.00002 137 2S -0.00005 -0.00033 0.00000 -0.00000 -0.00003 138 2PX -0.00000 0.00000 0.00000 0.00002 0.00000 139 2PY -0.00014 0.00002 0.00000 0.00000 0.00036 140 2PZ -0.00004 0.00062 0.00011 -0.00000 -0.00002 141 3S 0.00211 0.00467 -0.00001 0.00000 0.00117 142 3PX -0.00000 0.00000 0.00000 0.00020 0.00000 143 3PY -0.00092 0.00010 0.00001 0.00000 0.00146 144 3PZ -0.00025 0.00389 0.00077 -0.00000 -0.00003 145 4S 0.00495 0.01062 -0.00004 0.00000 0.00052 146 4PX -0.00000 0.00000 0.00000 0.00016 0.00000 147 4PY -0.00188 0.00015 0.00002 0.00000 0.00016 148 4PZ -0.00065 0.01126 0.00054 -0.00000 0.00005 149 5S 0.00161 0.00416 -0.00000 0.00000 0.00001 150 5PX 0.00000 0.00000 0.00000 0.00001 0.00000 151 5PY 0.00058 -0.00005 0.00000 -0.00000 0.00000 152 5PZ -0.00009 -0.00009 0.00002 -0.00000 0.00001 153 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 -0.00000 0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00004 156 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00001 157 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 158 7D 0 -0.00002 0.00013 0.00005 0.00000 -0.00000 159 7D+1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 7D-1 -0.00001 -0.00000 -0.00004 0.00000 0.00002 161 7D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 7D-2 0.00000 0.00000 0.00000 -0.00005 0.00000 163 7 H 1S 0.00031 -0.00000 0.00000 0.00000 0.00000 164 2S 0.00121 0.00003 0.00000 0.00000 0.00000 165 3S 0.00018 -0.00012 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 167 4PY 0.00002 0.00000 0.00000 -0.00000 -0.00000 168 4PZ 0.00001 0.00000 -0.00000 0.00000 0.00000 169 8 H 1S -0.00022 0.00008 0.00000 0.00000 0.00000 170 2S -0.00097 0.00037 0.00000 0.00000 0.00000 171 3S -0.00092 0.00060 0.00000 -0.00000 0.00000 172 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 173 4PY -0.00002 0.00000 0.00000 -0.00000 -0.00000 174 4PZ 0.00000 0.00000 -0.00000 0.00000 0.00000 175 9 H 1S 0.00000 0.00012 0.00000 -0.00000 -0.00000 176 2S 0.00001 0.00026 0.00000 -0.00000 -0.00000 177 3S -0.00014 0.00110 0.00000 0.00000 -0.00000 178 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 4PY -0.00000 0.00000 -0.00000 0.00000 0.00000 180 4PZ 0.00000 -0.00001 -0.00000 -0.00000 -0.00000 181 10 H 1S -0.00036 -0.00074 -0.00000 0.00000 0.00000 182 2S -0.00126 -0.00259 -0.00003 0.00000 0.00007 183 3S -0.00057 -0.00151 -0.00003 0.00000 0.00004 184 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 4PY 0.00004 -0.00002 -0.00000 0.00000 0.00000 186 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 187 11 H 1S 0.00090 -0.00000 0.00002 0.00000 0.00083 188 2S 0.00311 0.00010 0.00002 -0.00000 0.00077 189 3S 0.00128 -0.00037 0.00000 -0.00000 0.00006 190 4PX -0.00000 0.00000 -0.00000 -0.00001 0.00000 191 4PY -0.00007 0.00000 -0.00001 0.00000 0.00009 192 4PZ 0.00002 0.00005 -0.00002 -0.00000 0.00001 21 22 23 24 25 21 6D+2 0.00048 22 6D-2 0.00000 0.00021 23 7D 0 0.00000 0.00000 0.00187 24 7D+1 0.00000 -0.00000 0.00000 0.00176 25 7D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00281 26 7D+2 0.00018 -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 0.00000 0.00000 -0.00093 0.00000 -0.00001 29 2S 0.00000 0.00000 -0.00126 0.00000 -0.00000 30 2PX -0.00000 0.00000 0.00000 0.00174 0.00000 31 2PY 0.00000 0.00000 0.00001 0.00000 0.00182 32 2PZ -0.00000 -0.00000 0.00056 0.00000 0.00003 33 3S -0.00000 -0.00000 0.00448 -0.00000 -0.00004 34 3PX -0.00000 0.00000 0.00000 0.00659 0.00000 35 3PY 0.00000 0.00000 0.00002 0.00000 0.00611 36 3PZ -0.00000 -0.00000 0.00074 -0.00000 0.00006 37 4S -0.00000 -0.00000 0.00114 0.00000 0.00002 38 4PX 0.00000 0.00000 0.00000 0.00469 0.00000 39 4PY -0.00000 0.00000 -0.00002 0.00000 0.00264 40 4PZ -0.00000 -0.00000 -0.00046 -0.00000 0.00001 41 5S -0.00000 -0.00000 0.00018 0.00000 0.00003 42 5PX 0.00000 0.00000 0.00000 0.00022 0.00000 43 5PY -0.00000 0.00000 -0.00000 -0.00000 -0.00003 44 5PZ -0.00000 -0.00000 -0.00018 0.00000 -0.00001 45 6D 0 -0.00000 -0.00000 0.00001 -0.00000 0.00000 46 6D+1 -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 47 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00016 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 0.00002 -0.00000 -0.00000 51 7D+1 0.00000 -0.00000 -0.00000 -0.00018 -0.00000 52 7D-1 -0.00000 0.00000 0.00001 -0.00000 -0.00043 53 7D+2 0.00000 0.00000 -0.00000 -0.00000 0.00001 54 7D-2 -0.00000 -0.00001 0.00000 0.00002 -0.00000 55 3 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00003 56 2S 0.00000 0.00000 -0.00001 -0.00000 -0.00004 57 2PX -0.00000 -0.00000 0.00000 0.00007 0.00000 58 2PY 0.00000 0.00000 0.00002 0.00000 0.00007 59 2PZ -0.00000 -0.00000 0.00001 0.00000 0.00015 60 3S -0.00000 0.00000 0.00006 0.00000 0.00077 61 3PX -0.00000 -0.00000 0.00000 0.00068 0.00000 62 3PY 0.00000 0.00000 0.00013 0.00000 0.00033 63 3PZ -0.00000 -0.00000 0.00009 0.00000 0.00094 64 4S -0.00001 -0.00000 0.00029 0.00000 0.00041 65 4PX -0.00000 -0.00002 -0.00000 0.00161 0.00000 66 4PY -0.00000 0.00000 0.00005 -0.00000 -0.00006 67 4PZ -0.00001 -0.00000 0.00005 0.00000 0.00048 68 5S -0.00000 -0.00000 0.00013 -0.00000 0.00018 69 5PX 0.00000 -0.00000 -0.00000 0.00011 0.00000 70 5PY -0.00000 0.00000 -0.00005 -0.00000 -0.00001 71 5PZ 0.00000 -0.00000 0.00002 -0.00000 0.00002 72 6D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 73 6D+1 -0.00000 -0.00000 0.00000 0.00001 0.00000 74 6D-1 -0.00000 -0.00000 0.00001 0.00000 0.00001 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 0.00008 78 7D+1 -0.00000 0.00000 0.00000 0.00006 0.00000 79 7D-1 -0.00000 -0.00000 0.00001 0.00000 0.00004 80 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00001 81 7D-2 -0.00000 0.00000 0.00000 0.00012 -0.00000 82 4 C 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 -0.00001 0.00000 0.00000 87 3S -0.00000 -0.00000 -0.00001 -0.00000 -0.00006 88 3PX -0.00000 -0.00000 0.00000 0.00002 0.00000 89 3PY -0.00000 0.00000 0.00000 0.00000 0.00006 90 3PZ -0.00000 -0.00000 -0.00008 0.00000 0.00003 91 4S 0.00000 -0.00000 -0.00002 -0.00000 -0.00013 92 4PX 0.00000 -0.00000 -0.00000 0.00004 0.00000 93 4PY 0.00001 0.00000 -0.00004 0.00000 0.00009 94 4PZ -0.00001 -0.00000 -0.00023 -0.00000 -0.00002 95 5S -0.00000 0.00000 -0.00003 0.00000 -0.00045 96 5PX -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 97 5PY -0.00000 0.00000 -0.00003 0.00000 -0.00002 98 5PZ -0.00000 -0.00000 -0.00020 0.00000 0.00009 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 0.00002 0.00000 0.00002 105 7D+1 0.00000 0.00000 -0.00000 -0.00003 0.00000 106 7D-1 -0.00000 -0.00000 0.00002 0.00000 0.00006 107 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00006 108 7D-2 -0.00000 -0.00000 0.00000 0.00006 0.00000 109 5 C 1S -0.00000 -0.00000 -0.00003 0.00000 0.00000 110 2S -0.00000 -0.00000 -0.00004 0.00000 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00021 -0.00000 -0.00000 113 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00003 114 3S 0.00001 0.00000 0.00077 -0.00000 0.00000 115 3PX 0.00000 0.00001 0.00000 0.00000 0.00000 116 3PY 0.00004 0.00000 0.00117 -0.00000 -0.00000 117 3PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00028 118 4S -0.00000 0.00000 0.00053 -0.00000 0.00000 119 4PX 0.00000 0.00006 0.00000 0.00000 0.00000 120 4PY 0.00002 0.00000 0.00037 -0.00000 0.00000 121 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00047 122 5S 0.00001 0.00000 0.00027 -0.00000 0.00000 123 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 124 5PY 0.00000 -0.00000 0.00000 -0.00000 0.00000 125 5PZ 0.00000 -0.00000 0.00000 0.00000 0.00020 126 6D 0 0.00000 0.00000 0.00001 -0.00000 -0.00000 127 6D+1 -0.00000 0.00000 -0.00000 0.00000 -0.00000 128 6D-1 -0.00000 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 0.00000 0.00000 0.00002 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00002 0.00000 0.00012 -0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00004 0.00000 133 7D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00006 134 7D+2 0.00003 0.00000 0.00007 0.00000 0.00000 135 7D-2 0.00000 0.00001 0.00000 -0.00000 0.00000 136 6 N 1S -0.00001 -0.00000 -0.00000 -0.00000 -0.00072 137 2S -0.00001 -0.00000 0.00000 -0.00000 -0.00104 138 2PX 0.00000 0.00007 0.00000 0.00050 0.00000 139 2PY 0.00010 0.00000 0.00022 0.00000 0.00105 140 2PZ 0.00020 0.00000 0.00137 0.00000 0.00005 141 3S 0.00040 0.00000 -0.00010 0.00000 0.00645 142 3PX 0.00000 0.00059 0.00000 0.00220 0.00000 143 3PY 0.00033 0.00000 0.00105 0.00000 0.00283 144 3PZ 0.00093 0.00000 0.00562 0.00000 0.00095 145 4S -0.00001 -0.00000 -0.00035 0.00000 0.00435 146 4PX 0.00000 0.00047 0.00000 0.00217 -0.00000 147 4PY -0.00003 -0.00000 0.00078 0.00000 0.00024 148 4PZ 0.00028 0.00000 0.00509 0.00000 0.00224 149 5S -0.00002 -0.00000 -0.00005 0.00000 0.00029 150 5PX 0.00000 0.00000 -0.00000 0.00012 0.00000 151 5PY 0.00000 -0.00000 -0.00001 -0.00000 0.00001 152 5PZ 0.00000 0.00000 0.00021 0.00000 0.00009 153 6D 0 0.00000 0.00000 0.00002 -0.00000 0.00001 154 6D+1 0.00000 0.00001 -0.00000 -0.00000 0.00000 155 6D-1 0.00001 0.00000 -0.00003 -0.00000 -0.00000 156 6D+2 0.00001 0.00000 -0.00003 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 -0.00002 0.00000 158 7D 0 0.00005 0.00000 0.00015 0.00000 0.00017 159 7D+1 0.00000 0.00009 -0.00000 -0.00008 0.00000 160 7D-1 0.00002 -0.00000 -0.00016 -0.00000 -0.00009 161 7D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 162 7D-2 -0.00000 0.00000 0.00000 -0.00025 0.00000 163 7 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 2S 0.00000 0.00000 0.00001 -0.00000 -0.00000 165 3S 0.00001 0.00000 0.00005 0.00000 0.00000 166 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 167 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 169 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 0.00000 0.00001 0.00000 0.00007 172 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 174 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 9 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 176 2S -0.00000 -0.00000 0.00001 -0.00000 -0.00002 177 3S -0.00000 -0.00000 0.00004 -0.00000 -0.00006 178 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 10 H 1S 0.00000 0.00000 0.00001 0.00000 0.00041 182 2S 0.00000 0.00000 -0.00009 0.00000 0.00158 183 3S 0.00001 0.00000 -0.00019 0.00000 0.00046 184 4PX 0.00000 0.00000 -0.00000 0.00005 0.00000 185 4PY 0.00000 0.00000 0.00001 0.00000 0.00002 186 4PZ -0.00000 -0.00000 0.00003 0.00000 0.00010 187 11 H 1S 0.00033 0.00000 0.00010 0.00000 0.00145 188 2S 0.00029 0.00000 0.00014 0.00000 0.00190 189 3S 0.00001 0.00000 0.00003 -0.00000 0.00046 190 4PX 0.00000 -0.00003 -0.00000 -0.00006 0.00000 191 4PY 0.00003 0.00000 -0.00006 0.00000 0.00001 192 4PZ 0.00002 -0.00000 0.00002 -0.00000 -0.00005 26 27 28 29 30 26 7D+2 0.00086 27 7D-2 -0.00000 0.00079 28 2 C 1S 0.00000 0.00000 0.65852 29 2S 0.00000 0.00000 0.49215 0.48968 30 2PX 0.00000 0.00002 0.00000 0.00000 0.06809 31 2PY 0.00001 0.00000 0.00000 0.00000 0.00000 32 2PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 33 3S -0.00000 -0.00000 -0.02585 -0.05905 0.00000 34 3PX 0.00000 0.00007 0.00000 0.00000 0.06587 35 3PY 0.00004 0.00000 0.00000 0.00000 0.00000 36 3PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 37 4S 0.00000 -0.00000 -0.00970 -0.01714 0.00000 38 4PX 0.00000 0.00006 0.00000 0.00000 0.01858 39 4PY 0.00001 0.00000 0.00000 0.00000 0.00000 40 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 41 5S -0.00000 -0.00000 0.00316 0.00394 0.00000 42 5PX 0.00000 0.00001 0.00000 0.00000 0.00066 43 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 44 5PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 45 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 46 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 47 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 48 6D+2 0.00001 0.00000 -0.00000 -0.00000 0.00000 49 6D-2 -0.00000 -0.00001 -0.00000 -0.00000 0.00000 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 51 7D+1 0.00000 -0.00002 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 -0.00008 0.00000 0.00000 0.00000 55 3 C 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 -0.00002 -0.00000 -0.00000 0.00020 58 2PY -0.00000 0.00000 -0.00004 -0.00003 0.00000 59 2PZ 0.00001 -0.00000 -0.00001 -0.00001 0.00000 60 3S -0.00001 -0.00000 -0.00036 -0.00062 0.00000 61 3PX -0.00000 -0.00015 -0.00000 -0.00000 0.00334 62 3PY 0.00000 -0.00000 -0.00134 -0.00234 0.00000 63 3PZ 0.00004 -0.00000 -0.00044 -0.00079 0.00000 64 4S -0.00007 -0.00000 -0.00014 -0.00047 0.00000 65 4PX -0.00000 -0.00039 -0.00000 -0.00000 0.00450 66 4PY 0.00001 0.00000 -0.00151 -0.00248 0.00000 67 4PZ -0.00001 -0.00000 -0.00004 -0.00034 0.00000 68 5S -0.00004 -0.00000 -0.00093 -0.00130 0.00000 69 5PX -0.00000 -0.00001 0.00000 0.00000 0.00034 70 5PY -0.00004 0.00000 0.00041 0.00067 0.00000 71 5PZ 0.00000 0.00000 -0.00011 -0.00017 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 0.00002 74 6D-1 -0.00000 -0.00000 -0.00002 -0.00002 0.00000 75 6D+2 0.00000 -0.00000 -0.00001 -0.00001 0.00000 76 6D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00006 77 7D 0 0.00001 -0.00000 -0.00002 -0.00002 0.00000 78 7D+1 -0.00000 0.00000 -0.00000 -0.00000 0.00026 79 7D-1 0.00001 -0.00000 -0.00064 -0.00081 0.00000 80 7D+2 0.00000 -0.00000 -0.00034 -0.00046 0.00000 81 7D-2 -0.00000 -0.00001 -0.00000 -0.00000 0.00139 82 4 C 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 0.00001 0.00000 0.00000 -0.00000 -0.00000 86 2PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 87 3S 0.00001 -0.00000 0.00000 0.00000 -0.00000 88 3PX 0.00000 0.00001 0.00000 0.00000 -0.00000 89 3PY 0.00009 0.00000 0.00000 0.00000 -0.00000 90 3PZ -0.00001 -0.00000 -0.00000 0.00000 0.00000 91 4S 0.00004 -0.00000 -0.00004 -0.00005 -0.00000 92 4PX 0.00000 0.00003 -0.00000 0.00000 -0.00014 93 4PY 0.00015 0.00000 -0.00005 0.00004 -0.00000 94 4PZ -0.00007 -0.00000 0.00000 -0.00000 0.00000 95 5S -0.00010 -0.00000 0.00056 0.00086 -0.00000 96 5PX 0.00000 -0.00006 0.00000 0.00000 -0.00021 97 5PY -0.00002 0.00000 0.00003 0.00011 -0.00000 98 5PZ -0.00009 -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 -0.00002 -0.00002 0.00000 105 7D+1 0.00000 0.00006 -0.00000 0.00000 -0.00000 106 7D-1 0.00003 0.00000 0.00000 -0.00000 0.00000 107 7D+2 -0.00000 -0.00000 -0.00001 -0.00002 0.00000 108 7D-2 -0.00000 -0.00003 -0.00000 -0.00000 0.00005 109 5 C 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 110 2S -0.00002 -0.00000 0.00000 -0.00000 -0.00000 111 2PX 0.00000 0.00008 0.00000 -0.00000 -0.00000 112 2PY 0.00028 0.00000 0.00000 -0.00000 0.00000 113 2PZ -0.00000 0.00000 0.00000 -0.00000 0.00000 114 3S 0.00091 0.00000 0.00000 0.00000 -0.00000 115 3PX 0.00000 0.00069 0.00000 0.00000 -0.00000 116 3PY 0.00149 0.00000 0.00000 0.00000 0.00000 117 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 118 4S 0.00046 0.00000 0.00002 0.00002 -0.00000 119 4PX 0.00000 0.00129 0.00000 0.00000 -0.00027 120 4PY 0.00046 0.00000 0.00006 0.00008 0.00000 121 4PZ -0.00000 0.00000 0.00001 0.00002 -0.00000 122 5S 0.00030 0.00000 -0.00003 -0.00007 -0.00000 123 5PX 0.00000 0.00016 0.00000 0.00000 -0.00010 124 5PY 0.00001 -0.00000 0.00008 0.00006 0.00000 125 5PZ 0.00000 -0.00000 -0.00009 -0.00011 -0.00000 126 6D 0 0.00001 0.00000 0.00000 -0.00000 -0.00000 127 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 128 6D-1 0.00000 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 0.00003 0.00000 0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00001 0.00000 -0.00000 -0.00000 131 7D 0 0.00007 0.00000 0.00000 0.00000 -0.00000 132 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 -0.00000 -0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00011 0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00017 0.00000 0.00000 0.00000 136 6 N 1S 0.00004 0.00000 -0.00000 0.00000 0.00000 137 2S 0.00001 0.00000 0.00000 -0.00000 -0.00000 138 2PX 0.00000 0.00094 0.00000 -0.00000 -0.00000 139 2PY -0.00006 -0.00000 0.00000 -0.00000 -0.00000 140 2PZ 0.00086 0.00000 0.00000 -0.00000 -0.00000 141 3S 0.00050 0.00000 0.00000 0.00000 -0.00000 142 3PX 0.00000 0.00417 0.00000 0.00000 -0.00000 143 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 144 3PZ 0.00287 0.00000 0.00000 0.00000 -0.00000 145 4S -0.00106 -0.00000 -0.00004 -0.00005 0.00000 146 4PX 0.00000 0.00402 0.00000 0.00000 -0.00007 147 4PY 0.00027 -0.00000 0.00001 0.00002 -0.00000 148 4PZ 0.00150 0.00000 0.00006 0.00015 0.00000 149 5S -0.00022 -0.00000 -0.00005 -0.00008 -0.00000 150 5PX 0.00000 0.00004 0.00000 0.00000 -0.00021 151 5PY 0.00001 -0.00000 0.00003 0.00001 0.00000 152 5PZ 0.00002 0.00000 0.00022 0.00035 0.00000 153 6D 0 0.00002 0.00000 -0.00000 0.00000 0.00000 154 6D+1 -0.00000 0.00002 -0.00000 0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 157 6D-2 -0.00000 -0.00001 0.00000 -0.00000 0.00000 158 7D 0 0.00025 0.00000 -0.00000 -0.00000 0.00000 159 7D+1 0.00000 0.00034 -0.00000 -0.00000 0.00000 160 7D-1 0.00002 -0.00000 -0.00000 -0.00000 -0.00000 161 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00006 0.00000 0.00000 0.00001 163 7 H 1S -0.00000 -0.00000 -0.00000 0.00000 0.00000 164 2S -0.00002 0.00000 0.00000 0.00000 -0.00000 165 3S 0.00002 0.00000 0.00000 0.00000 -0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 167 4PY -0.00000 0.00000 0.00000 -0.00000 0.00000 168 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 169 8 H 1S -0.00000 0.00000 -0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 -0.00000 -0.00000 0.00000 171 3S 0.00002 0.00000 -0.00001 -0.00001 0.00000 172 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 173 4PY -0.00000 0.00000 -0.00000 0.00000 -0.00000 174 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 175 9 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 2S -0.00000 -0.00000 0.00001 0.00002 -0.00000 177 3S -0.00001 -0.00000 0.00014 0.00021 -0.00000 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00000 180 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 181 10 H 1S 0.00005 0.00000 -0.00025 -0.00036 0.00000 182 2S 0.00020 0.00000 -0.00245 -0.00428 0.00000 183 3S 0.00007 0.00000 0.00010 0.00017 0.00000 184 4PX 0.00000 0.00001 0.00000 -0.00000 0.00056 185 4PY -0.00000 0.00000 -0.00046 -0.00074 0.00000 186 4PZ 0.00000 -0.00000 -0.00013 -0.00021 0.00000 187 11 H 1S 0.00008 0.00000 0.00000 0.00000 -0.00000 188 2S 0.00011 0.00000 0.00002 0.00003 -0.00000 189 3S 0.00012 0.00000 0.00016 0.00026 -0.00000 190 4PX -0.00000 -0.00007 0.00000 0.00000 0.00000 191 4PY 0.00001 -0.00000 0.00000 0.00000 -0.00000 192 4PZ -0.00003 -0.00000 -0.00000 -0.00000 0.00000 31 32 33 34 35 31 2PY 0.09087 32 2PZ 0.00000 0.09242 33 3S 0.00000 0.00000 0.43197 34 3PX 0.00000 0.00000 0.00000 0.16101 35 3PY 0.07845 0.00000 0.00000 0.00000 0.17141 36 3PZ 0.00000 0.08097 0.00000 0.00000 0.00000 37 4S 0.00000 0.00000 0.17301 0.00000 0.00000 38 4PX 0.00000 0.00000 0.00000 0.08475 0.00000 39 4PY 0.01458 -0.00000 0.00000 0.00000 0.05929 40 4PZ -0.00000 0.01526 0.00000 0.00000 -0.00000 41 5S 0.00000 0.00000 -0.02351 0.00000 0.00000 42 5PX 0.00000 0.00000 0.00000 0.00395 0.00000 43 5PY 0.00021 -0.00000 0.00000 0.00000 0.00106 44 5PZ 0.00000 -0.00068 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 C 1S -0.00004 -0.00001 -0.00036 -0.00000 -0.00130 56 2S -0.00003 -0.00001 -0.00061 -0.00000 -0.00229 57 2PX 0.00000 0.00000 0.00000 0.00334 0.00000 58 2PY 0.00150 0.00069 0.00594 0.00000 0.00974 59 2PZ 0.00062 0.00012 0.00205 0.00000 0.00486 60 3S 0.00590 0.00214 0.01460 0.00000 0.03130 61 3PX 0.00000 0.00000 0.00000 0.01974 0.00000 62 3PY 0.00983 0.00539 0.03150 0.00000 0.02806 63 3PZ 0.00481 0.00035 0.01084 0.00000 0.01728 64 4S 0.00196 0.00091 0.00910 0.00000 0.00932 65 4PX 0.00000 0.00000 0.00000 0.02384 0.00000 66 4PY 0.00121 0.00149 0.02273 0.00000 0.00227 67 4PZ 0.00097 -0.00072 0.00707 0.00000 0.00411 68 5S 0.00038 -0.00039 0.01168 0.00000 0.00206 69 5PX 0.00000 0.00000 -0.00000 0.00213 0.00000 70 5PY 0.00015 0.00017 -0.00749 0.00000 0.00093 71 5PZ 0.00000 0.00026 0.00161 0.00000 0.00002 72 6D 0 -0.00000 0.00007 0.00003 0.00000 0.00001 73 6D+1 0.00000 0.00000 0.00000 0.00017 0.00000 74 6D-1 0.00040 0.00004 0.00072 0.00000 0.00107 75 6D+2 0.00009 0.00013 0.00034 0.00000 0.00019 76 6D-2 0.00000 0.00000 0.00000 0.00042 0.00000 77 7D 0 0.00010 0.00081 -0.00003 0.00000 0.00038 78 7D+1 0.00000 -0.00000 0.00000 0.00098 0.00000 79 7D-1 0.00061 0.00003 0.00231 0.00000 0.00117 80 7D+2 -0.00012 0.00049 0.00156 0.00000 0.00004 81 7D-2 -0.00000 0.00000 0.00000 0.00524 -0.00000 82 4 C 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 -0.00002 -0.00000 -0.00008 86 2PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 3S -0.00002 0.00000 -0.00019 -0.00000 -0.00068 88 3PX -0.00000 -0.00000 -0.00000 -0.00006 -0.00000 89 3PY -0.00008 0.00000 -0.00068 -0.00000 -0.00135 90 3PZ -0.00000 0.00000 0.00000 0.00000 0.00000 91 4S -0.00003 0.00000 0.00022 -0.00000 -0.00027 92 4PX -0.00000 -0.00000 -0.00000 -0.00095 -0.00000 93 4PY -0.00055 -0.00000 -0.00334 -0.00000 -0.00274 94 4PZ -0.00000 0.00010 0.00000 0.00000 0.00000 95 5S -0.00026 -0.00000 -0.00972 -0.00000 -0.00142 96 5PX -0.00000 0.00000 -0.00000 -0.00131 -0.00000 97 5PY -0.00012 -0.00000 -0.00230 -0.00000 -0.00060 98 5PZ -0.00000 0.00005 0.00000 0.00000 -0.00000 99 6D 0 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00002 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 0.00008 0.00000 0.00031 0.00000 0.00049 105 7D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 106 7D-1 0.00000 -0.00001 0.00000 0.00000 0.00000 107 7D+2 0.00016 0.00000 0.00046 0.00000 0.00097 108 7D-2 0.00000 0.00000 0.00000 0.00053 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 111 2PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 112 2PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 113 2PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 114 3S -0.00000 -0.00000 -0.00004 -0.00000 -0.00008 115 3PX 0.00000 0.00000 -0.00000 -0.00011 0.00000 116 3PY -0.00000 -0.00000 -0.00009 0.00000 -0.00011 117 3PZ -0.00000 0.00000 -0.00003 0.00000 -0.00012 118 4S -0.00010 -0.00004 -0.00044 -0.00000 -0.00077 119 4PX 0.00000 0.00000 -0.00000 -0.00215 0.00000 120 4PY -0.00010 -0.00011 -0.00088 0.00000 -0.00071 121 4PZ -0.00019 0.00000 -0.00046 0.00000 -0.00117 122 5S -0.00024 0.00032 0.00086 -0.00000 -0.00149 123 5PX 0.00000 0.00000 0.00000 -0.00064 0.00000 124 5PY 0.00001 0.00013 0.00045 0.00000 0.00005 125 5PZ -0.00005 -0.00004 0.00071 -0.00000 -0.00031 126 6D 0 0.00000 -0.00000 -0.00000 -0.00000 0.00000 127 6D+1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 128 6D-1 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 129 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 7D 0 0.00000 -0.00001 -0.00001 -0.00000 0.00000 132 7D+1 0.00000 0.00000 -0.00000 0.00002 0.00000 133 7D-1 0.00001 0.00000 -0.00006 0.00000 0.00006 134 7D+2 0.00001 -0.00000 0.00001 0.00000 0.00009 135 7D-2 0.00000 -0.00000 -0.00000 0.00001 0.00000 136 6 N 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 141 3S -0.00000 -0.00000 -0.00002 -0.00000 -0.00006 142 3PX -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 143 3PY -0.00000 -0.00000 -0.00007 -0.00000 -0.00002 144 3PZ -0.00000 -0.00002 -0.00032 -0.00000 -0.00008 145 4S 0.00001 0.00019 0.00103 0.00000 0.00015 146 4PX -0.00000 -0.00000 -0.00000 -0.00053 0.00000 147 4PY -0.00002 -0.00007 -0.00035 0.00000 -0.00005 148 4PZ -0.00001 -0.00083 -0.00420 0.00000 -0.00017 149 5S -0.00009 0.00047 0.00128 -0.00000 -0.00052 150 5PX 0.00000 0.00000 0.00000 -0.00131 -0.00000 151 5PY 0.00001 0.00015 0.00041 -0.00000 0.00008 152 5PZ -0.00004 -0.00026 -0.00373 0.00000 -0.00023 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 156 6D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 0.00001 -0.00003 0.00000 -0.00004 159 7D+1 -0.00000 0.00000 0.00000 0.00003 -0.00000 160 7D-1 -0.00000 0.00002 0.00007 -0.00000 0.00001 161 7D+2 0.00000 -0.00000 -0.00001 0.00000 0.00000 162 7D-2 0.00000 -0.00000 0.00000 0.00013 0.00000 163 7 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 165 3S -0.00000 -0.00001 -0.00005 -0.00000 -0.00002 166 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 167 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 168 4PZ -0.00000 0.00000 -0.00000 0.00000 -0.00000 169 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00002 171 3S 0.00009 0.00001 0.00028 0.00000 0.00067 172 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 173 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00000 175 9 H 1S -0.00000 -0.00000 -0.00006 -0.00000 -0.00007 176 2S -0.00009 -0.00020 -0.00142 -0.00000 -0.00096 177 3S -0.00025 -0.00067 -0.00256 -0.00000 -0.00148 178 4PX 0.00000 0.00000 0.00000 0.00004 0.00000 179 4PY 0.00000 0.00000 0.00003 0.00000 0.00005 180 4PZ 0.00000 0.00000 -0.00004 0.00000 0.00000 181 10 H 1S 0.00648 0.00185 0.01612 0.00000 0.03087 182 2S 0.01566 0.00462 0.04891 0.00000 0.05832 183 3S 0.00209 0.00061 -0.00255 0.00000 0.00986 184 4PX 0.00000 0.00000 0.00000 0.00248 0.00000 185 4PY 0.00146 0.00098 0.00566 0.00000 0.00219 186 4PZ 0.00095 0.00001 0.00160 0.00000 0.00215 187 11 H 1S -0.00000 -0.00000 -0.00007 -0.00000 -0.00002 188 2S -0.00004 -0.00028 -0.00165 -0.00000 -0.00032 189 3S -0.00016 -0.00098 -0.00355 -0.00000 -0.00082 190 4PX -0.00000 -0.00000 -0.00000 0.00004 -0.00000 191 4PY -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 192 4PZ 0.00000 0.00001 0.00001 0.00000 0.00000 36 37 38 39 40 36 3PZ 0.17938 37 4S 0.00000 0.12915 38 4PX 0.00000 0.00000 0.10513 39 4PY 0.00000 0.00000 0.00000 0.05160 40 4PZ 0.06306 0.00000 0.00000 -0.00000 0.05482 41 5S 0.00000 -0.01898 0.00000 0.00000 0.00000 42 5PX 0.00000 0.00000 0.01003 0.00000 0.00000 43 5PY -0.00000 0.00000 0.00000 0.00288 -0.00000 44 5PZ -0.00381 0.00000 -0.00000 0.00000 -0.00354 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 C 1S -0.00049 -0.00082 -0.00000 -0.00120 -0.00054 56 2S -0.00085 -0.00127 -0.00000 -0.00220 -0.00086 57 2PX 0.00000 0.00000 0.00457 0.00000 0.00000 58 2PY 0.00538 0.00229 0.00000 0.00106 0.00162 59 2PZ 0.00035 0.00118 0.00000 0.00151 -0.00074 60 3S 0.01134 0.01253 0.00000 0.02346 0.00747 61 3PX 0.00000 0.00000 0.02425 0.00000 0.00000 62 3PY 0.01912 0.01090 0.00000 0.00203 0.00661 63 3PZ -0.00076 0.00555 0.00000 0.00613 -0.00394 64 4S 0.00438 0.00092 0.00000 0.00614 0.00375 65 4PX 0.00000 0.00000 0.03697 -0.00000 0.00000 66 4PY 0.00608 0.00918 -0.00000 -0.00408 0.00373 67 4PZ -0.00397 0.00288 0.00000 0.00193 -0.00751 68 5S -0.00213 0.00805 0.00000 0.00222 -0.00305 69 5PX 0.00000 -0.00000 0.00482 0.00000 0.00000 70 5PY 0.00092 -0.00565 0.00000 0.00156 0.00117 71 5PZ 0.00143 0.00083 0.00000 -0.00002 0.00115 72 6D 0 0.00034 0.00000 0.00000 0.00001 0.00013 73 6D+1 -0.00000 -0.00000 0.00008 -0.00000 -0.00000 74 6D-1 0.00004 0.00010 0.00000 0.00004 -0.00002 75 6D+2 0.00040 0.00006 0.00000 -0.00002 0.00006 76 6D-2 0.00000 0.00000 0.00023 0.00000 0.00000 77 7D 0 0.00264 -0.00004 0.00000 0.00027 0.00125 78 7D+1 0.00000 -0.00000 0.00062 -0.00000 0.00000 79 7D-1 0.00051 0.00043 0.00000 0.00001 0.00046 80 7D+2 0.00121 0.00032 0.00000 0.00032 0.00034 81 7D-2 0.00000 0.00000 0.00388 -0.00000 0.00000 82 4 C 1S -0.00000 -0.00004 -0.00000 -0.00005 0.00000 83 2S 0.00000 -0.00005 0.00000 0.00004 -0.00000 84 2PX -0.00000 -0.00000 -0.00014 -0.00000 -0.00000 85 2PY -0.00000 -0.00003 -0.00000 -0.00055 -0.00000 86 2PZ 0.00000 0.00000 -0.00000 -0.00000 0.00010 87 3S -0.00000 0.00022 -0.00000 -0.00334 0.00000 88 3PX -0.00000 -0.00000 -0.00095 -0.00000 -0.00000 89 3PY -0.00000 -0.00027 -0.00000 -0.00274 0.00000 90 3PZ -0.00001 -0.00000 -0.00000 0.00000 0.00058 91 4S -0.00000 0.00423 0.00000 0.00085 -0.00000 92 4PX -0.00000 0.00000 -0.00404 -0.00000 -0.00000 93 4PY 0.00000 0.00085 -0.00000 -0.00184 0.00000 94 4PZ 0.00058 0.00000 -0.00000 -0.00000 0.00261 95 5S 0.00000 -0.00978 -0.00000 -0.00292 0.00000 96 5PX 0.00000 -0.00000 -0.00353 -0.00000 0.00000 97 5PY -0.00000 -0.00100 -0.00000 -0.00059 -0.00000 98 5PZ 0.00030 0.00000 0.00000 -0.00000 0.00142 99 6D 0 0.00000 0.00000 0.00000 0.00003 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 -0.00002 102 6D+2 0.00000 0.00001 0.00000 0.00003 0.00000 103 6D-2 0.00000 0.00000 0.00004 0.00000 0.00000 104 7D 0 0.00000 0.00019 0.00000 0.00021 0.00000 105 7D+1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 7D-1 -0.00007 0.00000 0.00000 0.00000 -0.00007 107 7D+2 0.00000 0.00037 0.00000 0.00049 0.00000 108 7D-2 0.00000 0.00000 0.00122 0.00000 0.00000 109 5 C 1S 0.00000 -0.00009 -0.00000 -0.00008 -0.00004 110 2S 0.00000 -0.00009 -0.00000 -0.00007 -0.00003 111 2PX 0.00000 0.00000 -0.00027 0.00000 0.00000 112 2PY -0.00000 0.00003 0.00000 0.00006 -0.00007 113 2PZ 0.00000 0.00001 0.00000 -0.00015 0.00003 114 3S -0.00004 0.00039 -0.00000 -0.00005 -0.00016 115 3PX 0.00000 0.00000 -0.00209 0.00000 0.00000 116 3PY -0.00012 0.00006 0.00000 0.00024 -0.00060 117 3PZ 0.00002 0.00008 0.00000 -0.00097 0.00015 118 4S -0.00028 -0.00151 -0.00000 -0.00188 -0.00120 119 4PX 0.00000 -0.00000 -0.00841 0.00000 0.00000 120 4PY -0.00066 -0.00167 0.00000 -0.00075 -0.00149 121 4PZ -0.00001 -0.00028 0.00000 -0.00249 0.00000 122 5S 0.00192 0.00216 -0.00000 -0.00158 0.00223 123 5PX 0.00000 0.00000 -0.00215 -0.00000 0.00000 124 5PY 0.00073 0.00040 -0.00000 0.00006 0.00105 125 5PZ -0.00027 0.00091 0.00000 -0.00036 -0.00038 126 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 127 6D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 6D-1 0.00000 -0.00001 -0.00000 -0.00001 -0.00000 129 6D+2 -0.00000 0.00000 0.00000 0.00001 -0.00001 130 6D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 131 7D 0 -0.00008 -0.00002 -0.00000 -0.00004 -0.00023 132 7D+1 0.00000 -0.00000 0.00004 0.00000 -0.00000 133 7D-1 0.00003 -0.00013 0.00000 0.00009 -0.00002 134 7D+2 -0.00001 0.00004 0.00000 0.00015 -0.00007 135 7D-2 -0.00000 -0.00000 0.00003 0.00000 -0.00000 136 6 N 1S 0.00000 -0.00023 -0.00000 -0.00020 -0.00021 137 2S 0.00000 -0.00029 -0.00000 -0.00022 -0.00026 138 2PX -0.00000 -0.00000 -0.00010 0.00000 -0.00000 139 2PY -0.00001 -0.00003 0.00000 0.00000 -0.00011 140 2PZ -0.00004 -0.00020 0.00000 0.00017 -0.00059 141 3S -0.00010 0.00327 0.00000 0.00134 0.00228 142 3PX -0.00000 -0.00000 -0.00069 0.00000 -0.00000 143 3PY -0.00023 -0.00021 0.00000 0.00001 -0.00063 144 3PZ -0.00078 -0.00138 0.00000 0.00103 -0.00342 145 4S 0.00151 0.01153 0.00000 0.00242 0.01078 146 4PX -0.00000 -0.00000 -0.00259 -0.00000 0.00000 147 4PY -0.00049 -0.00011 -0.00000 -0.00001 -0.00038 148 4PZ -0.00469 -0.00579 0.00000 0.00250 -0.00752 149 5S 0.00267 0.00238 -0.00000 -0.00191 0.00657 150 5PX 0.00000 0.00000 -0.00312 -0.00000 0.00000 151 5PY 0.00083 0.00048 -0.00000 0.00020 0.00107 152 5PZ -0.00121 -0.00505 0.00000 -0.00005 -0.00128 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00001 156 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00001 157 6D-2 -0.00000 -0.00000 0.00001 0.00000 -0.00000 158 7D 0 0.00009 -0.00001 0.00000 0.00002 0.00002 159 7D+1 0.00000 0.00000 0.00002 0.00000 0.00000 160 7D-1 0.00027 0.00010 -0.00000 0.00000 0.00023 161 7D+2 -0.00003 0.00001 0.00000 -0.00003 -0.00003 162 7D-2 -0.00000 0.00000 0.00047 0.00000 -0.00000 163 7 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 164 2S -0.00000 -0.00003 0.00000 0.00001 -0.00007 165 3S -0.00005 -0.00033 0.00000 -0.00001 -0.00036 166 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 167 4PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 168 4PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 169 8 H 1S 0.00000 -0.00000 0.00000 0.00007 0.00001 170 2S 0.00000 -0.00004 0.00000 0.00059 0.00010 171 3S 0.00006 0.00018 0.00000 0.00210 0.00021 172 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4PY 0.00000 -0.00001 0.00000 0.00000 0.00001 174 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 175 9 H 1S -0.00013 -0.00071 -0.00000 -0.00049 -0.00172 176 2S -0.00188 -0.00393 -0.00000 -0.00206 -0.00676 177 3S -0.00370 -0.00303 -0.00000 -0.00221 -0.00685 178 4PX 0.00000 0.00000 0.00027 0.00000 0.00000 179 4PY 0.00007 0.00006 0.00000 0.00002 0.00013 180 4PZ 0.00001 -0.00014 0.00000 -0.00000 -0.00008 181 10 H 1S 0.00880 0.01294 0.00000 0.01722 0.00518 182 2S 0.01721 0.03858 0.00000 0.04266 0.01347 183 3S 0.00287 0.00154 0.00000 0.01056 0.00372 184 4PX 0.00000 0.00000 0.00205 -0.00000 0.00000 185 4PY 0.00221 0.00169 -0.00000 -0.00031 0.00056 186 4PZ 0.00020 0.00053 0.00000 0.00053 0.00014 187 11 H 1S -0.00021 -0.00134 -0.00000 -0.00042 -0.00264 188 2S -0.00281 -0.00699 -0.00000 -0.00159 -0.01013 189 3S -0.00555 -0.00759 -0.00000 -0.00144 -0.01059 190 4PX -0.00000 -0.00000 0.00028 0.00000 -0.00000 191 4PY -0.00004 -0.00011 0.00000 0.00002 -0.00016 192 4PZ 0.00015 -0.00006 0.00000 -0.00001 0.00013 41 42 43 44 45 41 5S 0.20324 42 5PX 0.00000 0.00462 43 5PY 0.00000 0.00000 0.00455 44 5PZ 0.00000 -0.00000 0.00000 0.01883 45 6D 0 0.00000 0.00000 0.00000 0.00000 0.00062 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 0.00023 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 C 1S -0.00036 -0.00000 -0.00001 0.00005 -0.00000 56 2S -0.00024 0.00000 0.00006 0.00011 -0.00000 57 2PX -0.00000 0.00021 0.00000 0.00000 0.00000 58 2PY -0.00050 0.00000 0.00008 0.00009 -0.00000 59 2PZ -0.00019 -0.00000 -0.00005 -0.00010 0.00007 60 3S -0.00260 -0.00000 -0.00213 -0.00200 0.00003 61 3PX -0.00000 0.00127 0.00000 0.00000 0.00000 62 3PY -0.00285 0.00000 0.00047 0.00048 0.00000 63 3PZ -0.00104 -0.00000 -0.00025 -0.00046 0.00036 64 4S 0.00737 -0.00000 -0.00182 -0.00299 0.00000 65 4PX -0.00000 0.00350 0.00000 0.00000 0.00000 66 4PY -0.00412 0.00000 0.00041 0.00065 0.00001 67 4PZ -0.00037 -0.00000 -0.00032 -0.00023 0.00012 68 5S -0.06973 -0.00000 -0.00416 0.00212 -0.00000 69 5PX -0.00000 0.00026 0.00000 -0.00000 -0.00000 70 5PY -0.00318 0.00000 0.00223 -0.00070 -0.00001 71 5PZ -0.00758 -0.00000 -0.00025 -0.00597 -0.00000 72 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00002 73 6D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 74 6D-1 -0.00000 0.00000 -0.00000 -0.00001 -0.00001 75 6D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00001 76 6D-2 0.00000 0.00001 -0.00000 0.00000 -0.00000 77 7D 0 0.00003 0.00000 -0.00001 -0.00012 -0.00004 78 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 79 7D-1 0.00002 0.00000 -0.00003 -0.00011 -0.00003 80 7D+2 0.00008 0.00000 0.00000 -0.00000 -0.00002 81 7D-2 0.00000 0.00020 -0.00000 -0.00000 -0.00000 82 4 C 1S 0.00056 0.00000 0.00003 -0.00000 -0.00000 83 2S 0.00086 0.00000 0.00011 0.00000 0.00000 84 2PX -0.00000 -0.00021 -0.00000 -0.00000 0.00000 85 2PY -0.00026 -0.00000 -0.00012 0.00000 0.00000 86 2PZ -0.00000 -0.00000 0.00000 0.00005 0.00000 87 3S -0.00972 -0.00000 -0.00230 0.00000 0.00000 88 3PX -0.00000 -0.00131 -0.00000 -0.00000 -0.00000 89 3PY -0.00142 -0.00000 -0.00060 0.00000 0.00002 90 3PZ 0.00000 -0.00000 0.00000 0.00030 0.00000 91 4S -0.00978 -0.00000 -0.00100 0.00000 0.00000 92 4PX -0.00000 -0.00353 -0.00000 -0.00000 -0.00000 93 4PY -0.00292 -0.00000 -0.00059 0.00000 0.00003 94 4PZ 0.00000 -0.00000 0.00000 0.00142 0.00000 95 5S 0.10879 0.00000 0.00281 -0.00000 0.00002 96 5PX 0.00000 -0.00059 0.00000 -0.00000 -0.00000 97 5PY 0.00281 0.00000 0.00008 0.00000 -0.00000 98 5PZ 0.00000 0.00000 -0.00000 0.00614 0.00000 99 6D 0 0.00002 -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 -0.00001 -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 0.00011 -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 0.00001 0.00000 107 7D+2 -0.00007 0.00000 0.00001 -0.00000 0.00000 108 7D-2 0.00000 0.00008 -0.00000 0.00000 0.00000 109 5 C 1S 0.00149 0.00000 0.00013 0.00029 -0.00000 110 2S 0.00205 0.00000 0.00027 0.00032 0.00000 111 2PX 0.00000 -0.00031 0.00000 0.00000 0.00000 112 2PY -0.00001 0.00000 0.00006 -0.00005 0.00000 113 2PZ -0.00057 -0.00000 -0.00015 -0.00002 -0.00000 114 3S -0.01968 -0.00000 -0.00439 -0.00124 0.00000 115 3PX -0.00000 -0.00200 0.00000 0.00000 0.00000 116 3PY -0.00029 0.00000 0.00029 -0.00038 0.00000 117 3PZ -0.00333 -0.00000 -0.00088 -0.00015 -0.00000 118 4S -0.02575 -0.00000 -0.00429 -0.00313 -0.00000 119 4PX -0.00000 -0.00542 -0.00000 0.00000 -0.00000 120 4PY -0.00117 -0.00000 0.00027 -0.00083 -0.00000 121 4PZ -0.00281 -0.00000 -0.00111 -0.00091 -0.00000 122 5S -0.07937 -0.00000 -0.00199 -0.01146 -0.00000 123 5PX 0.00000 -0.00219 -0.00000 0.00000 0.00000 124 5PY 0.00514 -0.00000 -0.00015 0.00032 0.00000 125 5PZ -0.01267 -0.00000 -0.00052 0.00390 -0.00000 126 6D 0 0.00000 0.00000 -0.00000 -0.00001 -0.00000 127 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 128 6D-1 -0.00002 -0.00000 -0.00000 0.00000 0.00000 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 6D-2 0.00000 -0.00001 0.00000 -0.00000 0.00000 131 7D 0 -0.00003 -0.00000 -0.00003 -0.00020 -0.00000 132 7D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 133 7D-1 -0.00045 0.00000 -0.00002 0.00009 0.00000 134 7D+2 -0.00010 0.00000 -0.00002 -0.00009 0.00000 135 7D-2 -0.00000 -0.00006 0.00000 -0.00000 -0.00000 136 6 N 1S -0.00114 -0.00000 -0.00016 -0.00034 0.00000 137 2S -0.00173 -0.00000 -0.00019 -0.00059 0.00000 138 2PX -0.00000 -0.00019 -0.00000 0.00000 -0.00000 139 2PY -0.00002 -0.00000 0.00001 -0.00001 -0.00000 140 2PZ -0.00098 0.00000 0.00006 -0.00017 -0.00000 141 3S 0.02358 0.00000 0.00138 0.00910 -0.00000 142 3PX -0.00000 -0.00128 -0.00000 0.00000 -0.00000 143 3PY -0.00010 0.00000 0.00003 -0.00007 -0.00000 144 3PZ -0.00613 0.00000 0.00041 -0.00092 -0.00000 145 4S 0.05736 0.00000 0.00122 0.02430 -0.00000 146 4PX 0.00000 -0.00389 -0.00000 0.00000 -0.00000 147 4PY 0.00011 -0.00000 0.00003 -0.00019 -0.00001 148 4PZ -0.01976 0.00000 0.00092 -0.00118 -0.00001 149 5S 0.03220 -0.00000 -0.00040 0.01206 0.00001 150 5PX 0.00000 -0.00022 -0.00000 -0.00000 -0.00000 151 5PY 0.00105 -0.00000 -0.00038 -0.00016 0.00000 152 5PZ 0.00105 0.00000 0.00026 0.00017 0.00000 153 6D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00000 0.00000 -0.00000 0.00000 155 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 6D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 158 7D 0 -0.00022 0.00000 0.00002 0.00012 0.00000 159 7D+1 0.00000 -0.00009 0.00000 -0.00000 0.00000 160 7D-1 0.00004 -0.00000 -0.00002 -0.00001 0.00000 161 7D+2 0.00001 0.00000 0.00001 0.00001 -0.00000 162 7D-2 0.00000 0.00005 -0.00000 0.00000 -0.00000 163 7 H 1S -0.00029 -0.00000 -0.00019 -0.00015 0.00000 164 2S -0.00091 -0.00000 -0.00074 -0.00052 0.00000 165 3S -0.00032 0.00000 0.00027 -0.00122 0.00000 166 4PX -0.00000 -0.00002 -0.00000 0.00000 0.00000 167 4PY -0.00003 -0.00000 -0.00002 -0.00001 0.00000 168 4PZ -0.00004 -0.00000 -0.00002 -0.00000 -0.00000 169 8 H 1S 0.00069 0.00000 0.00080 0.00010 -0.00000 170 2S 0.00292 0.00000 0.00329 0.00043 -0.00000 171 3S 0.00155 0.00000 0.00249 0.00054 -0.00000 172 4PX 0.00000 -0.00002 0.00000 0.00000 -0.00000 173 4PY 0.00009 0.00000 0.00006 0.00001 0.00000 174 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 175 9 H 1S 0.00054 0.00000 0.00015 -0.00061 0.00000 176 2S 0.00298 0.00000 0.00057 -0.00255 0.00004 177 3S -0.00214 0.00000 0.00038 -0.00011 0.00003 178 4PX -0.00000 0.00003 0.00000 0.00000 0.00000 179 4PY -0.00004 0.00000 0.00001 0.00001 -0.00000 180 4PZ 0.00009 0.00000 0.00001 0.00000 0.00000 181 10 H 1S 0.00187 0.00000 0.00118 -0.00006 0.00006 182 2S 0.00747 0.00000 0.00378 -0.00015 0.00006 183 3S 0.00602 0.00000 0.00098 -0.00041 0.00001 184 4PX 0.00000 0.00012 -0.00000 0.00000 -0.00000 185 4PY 0.00002 -0.00000 -0.00012 0.00001 -0.00001 186 4PZ 0.00001 0.00000 0.00001 -0.00004 -0.00003 187 11 H 1S -0.00420 0.00000 0.00024 -0.00058 -0.00000 188 2S -0.01468 0.00000 0.00070 -0.00185 -0.00002 189 3S -0.01217 0.00000 0.00046 -0.00159 -0.00003 190 4PX -0.00000 0.00003 -0.00000 -0.00000 0.00000 191 4PY -0.00009 -0.00000 -0.00001 -0.00002 -0.00000 192 4PZ -0.00023 0.00000 0.00000 -0.00001 0.00000 46 47 48 49 50 46 6D+1 0.00016 47 6D-1 0.00000 0.00062 48 6D+2 0.00000 0.00000 0.00032 49 6D-2 0.00000 -0.00000 0.00000 0.00013 50 7D 0 0.00000 0.00000 0.00000 0.00000 0.00087 51 7D+1 0.00021 0.00000 -0.00000 0.00000 0.00000 52 7D-1 0.00000 0.00025 0.00000 -0.00000 0.00000 53 7D+2 -0.00000 0.00000 0.00004 0.00000 0.00000 54 7D-2 0.00000 0.00000 -0.00000 0.00013 0.00000 55 3 C 1S -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 56 2S -0.00000 -0.00002 -0.00001 -0.00000 -0.00001 57 2PX 0.00002 0.00000 0.00000 0.00006 0.00000 58 2PY 0.00000 0.00039 0.00010 0.00000 0.00017 59 2PZ 0.00000 0.00003 0.00014 0.00000 0.00081 60 3S 0.00000 0.00068 0.00037 0.00000 0.00004 61 3PX 0.00010 0.00000 0.00000 0.00042 0.00000 62 3PY 0.00000 0.00104 0.00020 0.00000 0.00070 63 3PZ -0.00000 0.00004 0.00042 0.00000 0.00260 64 4S -0.00000 0.00012 0.00004 0.00000 -0.00000 65 4PX 0.00006 0.00000 0.00000 0.00021 0.00000 66 4PY -0.00000 0.00005 -0.00002 0.00000 0.00037 67 4PZ -0.00000 -0.00001 0.00005 0.00000 0.00120 68 5S -0.00000 0.00001 -0.00000 -0.00000 -0.00000 69 5PX 0.00000 0.00000 -0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 -0.00000 0.00000 -0.00003 71 5PZ 0.00000 0.00000 0.00000 -0.00000 -0.00002 72 6D 0 -0.00000 -0.00000 -0.00001 -0.00000 -0.00003 73 6D+1 0.00000 0.00000 0.00000 0.00001 0.00000 74 6D-1 0.00000 0.00004 0.00001 -0.00000 -0.00003 75 6D+2 0.00000 0.00002 0.00002 0.00000 -0.00003 76 6D-2 -0.00001 0.00000 0.00000 0.00000 -0.00000 77 7D 0 -0.00000 0.00001 -0.00002 -0.00000 -0.00004 78 7D+1 -0.00000 0.00000 0.00000 0.00002 -0.00000 79 7D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00006 80 7D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00008 81 7D-2 -0.00005 0.00000 0.00000 0.00001 -0.00000 82 4 C 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 83 2S 0.00000 -0.00000 0.00000 0.00000 -0.00002 84 2PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 85 2PY 0.00000 0.00000 0.00000 0.00000 0.00008 86 2PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 87 3S 0.00000 -0.00000 0.00000 0.00000 0.00031 88 3PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 89 3PY 0.00000 -0.00000 0.00002 0.00000 0.00049 90 3PZ -0.00000 -0.00000 0.00000 -0.00000 0.00000 91 4S 0.00000 -0.00000 0.00001 0.00000 0.00019 92 4PX -0.00000 -0.00000 0.00000 0.00004 -0.00000 93 4PY 0.00000 -0.00000 0.00003 0.00000 0.00021 94 4PZ -0.00000 -0.00002 0.00000 -0.00000 0.00000 95 5S -0.00000 0.00000 0.00000 0.00000 0.00011 96 5PX -0.00000 -0.00000 0.00000 0.00000 0.00000 97 5PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 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 0.00001 103 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00001 0.00000 0.00005 105 7D+1 0.00000 -0.00000 0.00000 -0.00000 -0.00000 106 7D-1 -0.00000 -0.00001 0.00000 0.00000 -0.00000 107 7D+2 -0.00000 0.00000 0.00001 0.00000 0.00001 108 7D-2 0.00000 0.00000 0.00000 0.00001 -0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 2PX -0.00000 -0.00000 0.00000 -0.00000 0.00000 112 2PY -0.00000 -0.00000 0.00000 0.00000 -0.00000 113 2PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 114 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 115 3PX -0.00000 0.00000 0.00000 0.00000 0.00000 116 3PY 0.00000 -0.00000 0.00000 0.00000 -0.00000 117 3PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00003 118 4S 0.00000 0.00000 -0.00000 -0.00000 -0.00003 119 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 120 4PY 0.00000 -0.00001 -0.00000 0.00000 0.00002 121 4PZ 0.00000 0.00000 -0.00001 -0.00000 -0.00004 122 5S 0.00000 0.00001 -0.00000 -0.00000 -0.00002 123 5PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 124 5PY -0.00000 -0.00000 0.00000 -0.00000 -0.00001 125 5PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00006 126 6D 0 -0.00000 0.00000 0.00000 -0.00000 0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 -0.00000 -0.00000 131 7D 0 -0.00000 0.00000 -0.00000 -0.00000 0.00002 132 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00002 134 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 135 7D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 6 N 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 137 2S -0.00000 -0.00000 0.00000 -0.00000 -0.00000 138 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 2PY 0.00000 0.00000 0.00000 0.00000 -0.00001 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.00004 141 3S 0.00000 0.00000 -0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 0.00000 0.00000 0.00000 -0.00005 144 3PZ 0.00000 0.00001 0.00000 0.00000 0.00028 145 4S -0.00000 -0.00001 -0.00000 -0.00000 -0.00020 146 4PX 0.00004 0.00000 -0.00000 -0.00001 -0.00000 147 4PY 0.00000 0.00002 -0.00000 0.00000 -0.00007 148 4PZ 0.00000 0.00008 0.00001 0.00000 0.00030 149 5S -0.00000 -0.00001 -0.00000 -0.00000 -0.00006 150 5PX 0.00000 -0.00000 0.00000 -0.00000 -0.00000 151 5PY 0.00000 -0.00000 0.00000 -0.00000 -0.00001 152 5PZ 0.00000 0.00000 0.00000 0.00000 0.00001 153 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 6D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 158 7D 0 0.00000 0.00001 -0.00000 -0.00000 0.00000 159 7D+1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 160 7D-1 0.00000 0.00001 -0.00000 -0.00000 -0.00000 161 7D+2 0.00000 -0.00000 0.00000 0.00000 -0.00000 162 7D-2 0.00000 -0.00000 0.00000 0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S 0.00000 0.00000 0.00000 0.00000 0.00000 165 3S 0.00000 0.00000 0.00000 0.00000 0.00000 166 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 8 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 170 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 171 3S -0.00000 0.00000 0.00000 0.00000 -0.00002 172 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 174 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 9 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00024 176 2S 0.00000 0.00002 -0.00002 -0.00000 0.00095 177 3S 0.00000 -0.00001 -0.00001 -0.00000 0.00029 178 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 0.00001 180 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00004 181 10 H 1S 0.00000 0.00061 0.00038 0.00000 0.00007 182 2S 0.00000 0.00058 0.00034 0.00000 0.00011 183 3S 0.00000 0.00004 0.00001 0.00000 0.00002 184 4PX -0.00001 0.00000 0.00000 -0.00004 -0.00000 185 4PY 0.00000 0.00007 0.00005 0.00000 -0.00001 186 4PZ 0.00000 -0.00001 0.00002 -0.00000 -0.00002 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00009 188 2S 0.00000 0.00006 0.00000 0.00000 0.00031 189 3S -0.00000 0.00003 0.00000 0.00000 -0.00000 190 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 4PY 0.00000 0.00000 -0.00000 -0.00000 0.00002 192 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00003 51 52 53 54 55 51 7D+1 0.00141 52 7D-1 0.00000 0.00128 53 7D+2 -0.00000 0.00000 0.00032 54 7D-2 0.00000 0.00000 0.00000 0.00068 55 3 C 1S -0.00000 -0.00075 -0.00034 -0.00000 0.65863 56 2S -0.00000 -0.00093 -0.00049 -0.00000 0.49226 57 2PX 0.00050 0.00000 0.00000 0.00100 0.00000 58 2PY 0.00000 0.00069 -0.00012 -0.00000 0.00000 59 2PZ -0.00000 0.00001 0.00040 0.00000 0.00000 60 3S 0.00000 0.00216 0.00208 0.00000 -0.02611 61 3PX 0.00187 0.00000 0.00000 0.00382 0.00000 62 3PY 0.00000 0.00133 0.00004 -0.00000 0.00000 63 3PZ 0.00000 0.00022 0.00101 0.00000 0.00000 64 4S -0.00000 0.00063 0.00035 0.00000 -0.00752 65 4PX 0.00138 0.00000 0.00000 0.00255 0.00000 66 4PY -0.00000 0.00001 0.00025 -0.00000 0.00000 67 4PZ -0.00000 0.00014 0.00018 0.00000 0.00000 68 5S -0.00000 0.00007 0.00003 0.00000 0.00126 69 5PX 0.00003 0.00000 0.00000 0.00009 0.00000 70 5PY -0.00000 -0.00001 -0.00003 0.00000 0.00000 71 5PZ -0.00000 -0.00003 0.00000 0.00000 0.00000 72 6D 0 -0.00000 -0.00001 -0.00001 -0.00000 0.00000 73 6D+1 -0.00000 -0.00000 0.00000 0.00003 0.00000 74 6D-1 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 75 6D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 76 6D-2 -0.00004 0.00000 0.00000 -0.00001 -0.00000 77 7D 0 -0.00000 0.00003 0.00000 -0.00000 0.00000 78 7D+1 -0.00002 -0.00000 0.00000 0.00011 -0.00000 79 7D-1 0.00000 -0.00002 0.00001 -0.00000 0.00000 80 7D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 81 7D-2 -0.00033 0.00000 -0.00000 -0.00006 0.00000 82 4 C 1S 0.00000 0.00000 -0.00001 -0.00000 0.00000 83 2S -0.00000 -0.00000 -0.00002 -0.00000 0.00000 84 2PX -0.00000 -0.00000 0.00000 0.00005 -0.00000 85 2PY 0.00000 0.00000 0.00016 0.00000 -0.00004 86 2PZ -0.00000 -0.00001 0.00000 -0.00000 -0.00001 87 3S 0.00000 -0.00000 0.00046 0.00000 -0.00036 88 3PX -0.00000 -0.00000 0.00000 0.00053 -0.00000 89 3PY 0.00000 0.00000 0.00097 0.00000 -0.00130 90 3PZ -0.00000 -0.00007 0.00000 -0.00000 -0.00049 91 4S 0.00000 -0.00000 0.00037 0.00000 -0.00082 92 4PX -0.00000 -0.00000 0.00000 0.00122 -0.00000 93 4PY 0.00000 -0.00000 0.00049 0.00000 -0.00120 94 4PZ -0.00000 -0.00007 0.00000 -0.00000 -0.00054 95 5S 0.00000 -0.00000 -0.00007 0.00000 -0.00036 96 5PX -0.00000 -0.00000 0.00000 0.00008 -0.00000 97 5PY 0.00000 -0.00000 0.00001 -0.00000 -0.00001 98 5PZ -0.00000 0.00001 0.00000 0.00000 0.00005 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 -0.00001 -0.00000 -0.00000 -0.00002 102 6D+2 -0.00000 0.00000 0.00001 0.00000 -0.00001 103 6D-2 -0.00000 -0.00000 0.00000 0.00001 -0.00000 104 7D 0 0.00000 0.00000 0.00001 0.00000 -0.00001 105 7D+1 0.00002 -0.00000 0.00000 -0.00000 -0.00000 106 7D-1 -0.00000 -0.00008 -0.00000 0.00000 -0.00075 107 7D+2 -0.00000 0.00000 0.00003 0.00000 -0.00034 108 7D-2 0.00000 0.00000 0.00000 0.00013 -0.00000 109 5 C 1S 0.00000 0.00000 -0.00000 0.00000 -0.00000 110 2S 0.00000 0.00001 0.00000 0.00000 0.00000 111 2PX -0.00000 -0.00000 0.00000 0.00000 0.00000 112 2PY -0.00000 -0.00003 0.00000 -0.00000 0.00000 113 2PZ 0.00000 0.00001 0.00000 -0.00000 0.00000 114 3S -0.00000 -0.00026 -0.00003 -0.00000 0.00000 115 3PX -0.00001 -0.00000 0.00000 0.00005 0.00000 116 3PY -0.00000 -0.00029 0.00003 -0.00000 0.00000 117 3PZ 0.00000 0.00009 0.00001 -0.00000 0.00000 118 4S -0.00000 -0.00040 -0.00008 -0.00000 0.00008 119 4PX -0.00007 -0.00000 0.00000 0.00016 0.00000 120 4PY -0.00000 -0.00033 -0.00000 -0.00000 0.00007 121 4PZ 0.00000 0.00003 -0.00001 -0.00000 0.00005 122 5S -0.00000 -0.00006 0.00005 -0.00000 -0.00012 123 5PX 0.00003 0.00000 0.00000 0.00001 -0.00000 124 5PY -0.00000 -0.00001 -0.00001 0.00000 -0.00005 125 5PZ -0.00000 -0.00000 0.00001 -0.00000 -0.00005 126 6D 0 -0.00000 0.00000 0.00000 -0.00000 -0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 128 6D-1 0.00000 0.00001 0.00000 0.00000 -0.00000 129 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 7D 0 -0.00000 0.00002 0.00000 -0.00000 -0.00000 132 7D+1 -0.00003 0.00000 0.00000 0.00006 -0.00000 133 7D-1 0.00000 0.00006 0.00006 0.00000 -0.00003 134 7D+2 0.00000 0.00003 -0.00000 -0.00000 0.00000 135 7D-2 0.00006 0.00000 -0.00000 -0.00003 0.00000 136 6 N 1S -0.00000 -0.00001 -0.00000 0.00000 -0.00000 137 2S -0.00000 -0.00002 -0.00000 0.00000 0.00000 138 2PX 0.00004 0.00000 -0.00000 -0.00001 0.00000 139 2PY 0.00000 0.00006 0.00000 0.00000 0.00000 140 2PZ -0.00000 0.00000 -0.00000 -0.00000 0.00000 141 3S 0.00000 0.00024 -0.00001 -0.00000 0.00000 142 3PX 0.00038 0.00000 -0.00000 -0.00006 0.00000 143 3PY 0.00000 0.00037 0.00000 0.00000 0.00000 144 3PZ -0.00000 0.00001 -0.00002 -0.00000 0.00000 145 4S 0.00000 0.00053 0.00000 0.00000 -0.00001 146 4PX 0.00138 0.00000 -0.00000 -0.00022 -0.00000 147 4PY 0.00000 0.00019 -0.00000 0.00000 -0.00000 148 4PZ -0.00000 -0.00011 -0.00002 -0.00000 -0.00001 149 5S 0.00000 0.00008 -0.00001 0.00000 0.00006 150 5PX 0.00008 -0.00000 -0.00000 -0.00008 0.00000 151 5PY 0.00000 -0.00001 0.00000 0.00000 0.00000 152 5PZ -0.00000 -0.00002 -0.00000 0.00000 0.00002 153 6D 0 0.00000 0.00000 -0.00000 -0.00000 0.00000 154 6D+1 0.00000 0.00000 -0.00000 -0.00000 0.00000 155 6D-1 0.00000 0.00001 -0.00000 0.00000 0.00000 156 6D+2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00000 0.00004 -0.00001 -0.00000 0.00000 159 7D+1 0.00011 0.00000 -0.00000 -0.00001 -0.00000 160 7D-1 0.00000 0.00009 0.00000 0.00000 0.00000 161 7D+2 0.00000 0.00000 0.00000 -0.00000 -0.00000 162 7D-2 0.00005 -0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 164 2S 0.00000 0.00000 -0.00000 0.00000 -0.00000 165 3S 0.00000 0.00004 0.00001 0.00000 -0.00001 166 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 167 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 168 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 169 8 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 170 2S 0.00000 0.00000 -0.00002 -0.00000 0.00001 171 3S -0.00000 0.00002 -0.00005 -0.00000 0.00011 172 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 174 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 175 9 H 1S 0.00000 0.00015 -0.00003 -0.00000 -0.00025 176 2S 0.00000 0.00057 -0.00012 -0.00000 -0.00239 177 3S -0.00000 0.00004 -0.00006 -0.00000 0.00019 178 4PX 0.00003 0.00000 0.00000 0.00002 0.00000 179 4PY 0.00000 0.00002 -0.00000 -0.00000 -0.00000 180 4PZ 0.00000 0.00006 -0.00000 -0.00000 -0.00058 181 10 H 1S 0.00000 0.00014 -0.00028 -0.00000 0.00000 182 2S 0.00000 0.00028 -0.00036 0.00000 0.00001 183 3S 0.00000 0.00016 0.00001 0.00000 0.00011 184 4PX -0.00003 0.00000 -0.00000 -0.00011 0.00000 185 4PY -0.00000 -0.00002 0.00002 0.00000 -0.00000 186 4PZ -0.00000 -0.00003 -0.00002 -0.00000 -0.00000 187 11 H 1S 0.00000 0.00037 0.00002 0.00000 -0.00000 188 2S 0.00000 0.00143 0.00005 0.00000 -0.00000 189 3S 0.00000 0.00046 0.00002 0.00000 -0.00001 190 4PX 0.00004 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00001 -0.00000 0.00000 -0.00000 192 4PZ 0.00000 0.00008 0.00000 -0.00000 -0.00000 56 57 58 59 60 56 2S 0.48984 57 2PX 0.00000 0.06435 58 2PY 0.00000 0.00000 0.09377 59 2PZ 0.00000 0.00000 0.00000 0.09150 60 3S -0.05959 0.00000 0.00000 0.00000 0.43800 61 3PX 0.00000 0.06242 0.00000 0.00000 0.00000 62 3PY 0.00000 0.00000 0.08298 0.00000 0.00000 63 3PZ 0.00000 0.00000 0.00000 0.07829 0.00000 64 4S -0.01421 0.00000 0.00000 0.00000 0.15637 65 4PX 0.00000 0.01693 0.00000 0.00000 0.00000 66 4PY 0.00000 0.00000 0.01426 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.00000 0.01351 0.00000 68 5S 0.00090 0.00000 0.00000 0.00000 0.01037 69 5PX 0.00000 0.00062 0.00000 0.00000 0.00000 70 5PY 0.00000 0.00000 -0.00012 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00000 0.00052 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 C 1S 0.00000 -0.00000 -0.00004 -0.00001 -0.00036 83 2S -0.00000 -0.00000 -0.00003 -0.00001 -0.00062 84 2PX -0.00000 0.00020 0.00000 0.00000 0.00000 85 2PY -0.00003 0.00000 0.00150 0.00062 0.00590 86 2PZ -0.00001 0.00000 0.00069 0.00012 0.00214 87 3S -0.00061 0.00000 0.00594 0.00205 0.01460 88 3PX -0.00000 0.00334 0.00000 0.00000 0.00000 89 3PY -0.00229 0.00000 0.00974 0.00486 0.03130 90 3PZ -0.00085 0.00000 0.00538 0.00035 0.01134 91 4S -0.00127 0.00000 0.00229 0.00118 0.01253 92 4PX -0.00000 0.00457 0.00000 0.00000 0.00000 93 4PY -0.00220 0.00000 0.00106 0.00151 0.02346 94 4PZ -0.00086 0.00000 0.00162 -0.00074 0.00747 95 5S -0.00024 -0.00000 -0.00050 -0.00019 -0.00260 96 5PX 0.00000 0.00021 0.00000 -0.00000 -0.00000 97 5PY 0.00006 0.00000 0.00008 -0.00005 -0.00213 98 5PZ 0.00011 0.00000 0.00009 -0.00010 -0.00200 99 6D 0 -0.00000 0.00000 -0.00000 0.00007 0.00003 100 6D+1 -0.00000 0.00002 0.00000 0.00000 0.00000 101 6D-1 -0.00002 0.00000 0.00039 0.00003 0.00068 102 6D+2 -0.00001 0.00000 0.00010 0.00014 0.00037 103 6D-2 -0.00000 0.00006 0.00000 0.00000 0.00000 104 7D 0 -0.00001 0.00000 0.00017 0.00081 0.00004 105 7D+1 -0.00000 0.00050 0.00000 0.00000 0.00000 106 7D-1 -0.00093 0.00000 0.00069 0.00001 0.00216 107 7D+2 -0.00049 0.00000 -0.00012 0.00040 0.00208 108 7D-2 -0.00000 0.00100 -0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 0.00000 0.00000 110 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 2PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 112 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 113 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00002 114 3S 0.00000 -0.00000 -0.00001 -0.00001 -0.00019 115 3PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 116 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00008 117 3PZ 0.00000 -0.00000 -0.00003 -0.00005 -0.00059 118 4S 0.00010 -0.00000 -0.00005 -0.00027 -0.00114 119 4PX 0.00000 -0.00005 0.00000 -0.00000 -0.00000 120 4PY 0.00010 0.00000 -0.00001 -0.00015 -0.00120 121 4PZ 0.00012 -0.00000 -0.00013 -0.00053 -0.00263 122 5S -0.00014 0.00000 0.00040 0.00017 0.00028 123 5PX -0.00000 -0.00006 -0.00000 0.00000 0.00000 124 5PY -0.00009 -0.00000 -0.00009 0.00003 0.00122 125 5PZ -0.00004 0.00000 0.00007 -0.00000 -0.00050 126 6D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00001 129 6D+2 0.00000 -0.00000 0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00001 -0.00000 0.00002 0.00001 0.00006 132 7D+1 -0.00000 0.00007 0.00000 0.00000 0.00000 133 7D-1 -0.00004 0.00000 0.00007 0.00015 0.00077 134 7D+2 0.00000 -0.00000 -0.00000 0.00001 -0.00001 135 7D-2 0.00000 -0.00002 0.00000 0.00000 -0.00000 136 6 N 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 141 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 142 3PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 3PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00002 145 4S -0.00001 0.00000 0.00000 0.00001 0.00019 146 4PX 0.00000 -0.00008 -0.00000 -0.00000 -0.00000 147 4PY 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 148 4PZ 0.00000 -0.00000 -0.00000 -0.00009 -0.00057 149 5S 0.00011 -0.00000 -0.00000 -0.00024 -0.00182 150 5PX 0.00000 -0.00018 -0.00000 -0.00000 0.00000 151 5PY 0.00000 -0.00000 -0.00008 0.00000 0.00000 152 5PZ 0.00001 -0.00000 0.00000 -0.00001 0.00036 153 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 156 6D+2 0.00000 -0.00000 -0.00000 0.00000 0.00000 157 6D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 158 7D 0 0.00000 -0.00000 -0.00000 -0.00000 -0.00005 159 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 160 7D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 7D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 164 2S -0.00000 0.00000 0.00000 0.00000 0.00000 165 3S -0.00001 0.00000 0.00005 0.00004 0.00028 166 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 167 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 168 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 169 8 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00005 170 2S 0.00002 -0.00000 -0.00027 -0.00000 -0.00138 171 3S 0.00018 -0.00000 -0.00091 0.00001 -0.00227 172 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 173 4PY -0.00000 0.00000 0.00000 0.00000 -0.00001 174 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00001 175 9 H 1S -0.00036 0.00000 0.00000 0.00837 0.01600 176 2S -0.00422 0.00000 0.00000 0.02044 0.04889 177 3S 0.00030 0.00000 0.00000 0.00287 -0.00381 178 4PX -0.00000 0.00052 0.00000 0.00000 0.00000 179 4PY -0.00000 0.00000 0.00039 0.00000 0.00000 180 4PZ -0.00093 0.00000 0.00000 0.00303 0.00728 181 10 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00005 182 2S 0.00002 -0.00000 -0.00027 -0.00000 -0.00138 183 3S 0.00018 -0.00000 -0.00091 0.00001 -0.00227 184 4PX -0.00000 0.00000 0.00000 0.00000 -0.00000 185 4PY -0.00000 0.00000 0.00000 0.00000 -0.00001 186 4PZ -0.00000 0.00000 0.00000 -0.00000 0.00001 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 0.00000 0.00000 0.00000 0.00000 189 3S -0.00001 0.00000 0.00005 0.00004 0.00028 190 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 192 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 61 62 63 64 65 61 3PX 0.15299 62 3PY 0.00000 0.18562 63 3PZ 0.00000 0.00000 0.16947 64 4S 0.00000 0.00000 0.00000 0.10913 65 4PX 0.07743 0.00000 0.00000 0.00000 0.09250 66 4PY 0.00000 0.05954 0.00000 0.00000 0.00000 67 4PZ 0.00000 0.00000 0.05430 0.00000 0.00000 68 5S 0.00000 0.00000 0.00000 0.01101 0.00000 69 5PX 0.00379 -0.00000 0.00000 0.00000 0.00824 70 5PY -0.00000 -0.00065 0.00000 0.00000 0.00000 71 5PZ 0.00000 0.00000 0.00271 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 C 1S -0.00000 -0.00134 -0.00044 -0.00014 -0.00000 83 2S -0.00000 -0.00234 -0.00079 -0.00047 -0.00000 84 2PX 0.00334 0.00000 0.00000 0.00000 0.00450 85 2PY 0.00000 0.00983 0.00481 0.00196 0.00000 86 2PZ 0.00000 0.00539 0.00035 0.00091 0.00000 87 3S 0.00000 0.03150 0.01084 0.00910 0.00000 88 3PX 0.01974 0.00000 0.00000 0.00000 0.02384 89 3PY 0.00000 0.02806 0.01728 0.00932 -0.00000 90 3PZ 0.00000 0.01912 -0.00076 0.00438 0.00000 91 4S 0.00000 0.01090 0.00555 0.00092 0.00000 92 4PX 0.02425 -0.00000 0.00000 0.00000 0.03697 93 4PY -0.00000 0.00203 0.00613 0.00614 -0.00000 94 4PZ 0.00000 0.00661 -0.00394 0.00375 -0.00000 95 5S -0.00000 -0.00285 -0.00104 0.00737 -0.00000 96 5PX 0.00127 0.00000 -0.00000 -0.00000 0.00350 97 5PY 0.00000 0.00047 -0.00025 -0.00182 0.00000 98 5PZ 0.00000 0.00048 -0.00046 -0.00299 0.00000 99 6D 0 0.00000 0.00000 0.00036 0.00000 0.00000 100 6D+1 0.00010 0.00000 0.00000 0.00000 0.00006 101 6D-1 0.00000 0.00104 0.00004 0.00012 -0.00000 102 6D+2 0.00000 0.00020 0.00042 0.00004 0.00000 103 6D-2 0.00042 0.00000 0.00000 0.00000 0.00021 104 7D 0 0.00000 0.00070 0.00260 -0.00000 0.00000 105 7D+1 0.00187 0.00000 0.00000 0.00000 0.00138 106 7D-1 0.00000 0.00133 0.00022 0.00063 -0.00000 107 7D+2 0.00000 0.00004 0.00101 0.00035 0.00000 108 7D-2 0.00382 -0.00000 0.00000 0.00000 0.00255 109 5 C 1S 0.00000 0.00000 0.00000 0.00018 -0.00000 110 2S 0.00000 0.00000 0.00000 0.00023 0.00000 111 2PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00006 112 2PY -0.00000 -0.00000 -0.00000 -0.00018 0.00000 113 2PZ -0.00000 -0.00003 -0.00005 -0.00014 -0.00000 114 3S -0.00000 -0.00018 -0.00043 -0.00270 -0.00000 115 3PX 0.00002 -0.00000 -0.00000 -0.00000 -0.00032 116 3PY -0.00000 -0.00002 -0.00009 -0.00122 0.00000 117 3PZ -0.00000 -0.00050 -0.00080 -0.00090 -0.00000 118 4S -0.00000 -0.00032 -0.00176 -0.00116 -0.00000 119 4PX -0.00034 0.00000 -0.00000 -0.00000 -0.00198 120 4PY 0.00000 -0.00001 -0.00082 -0.00141 0.00000 121 4PZ -0.00000 -0.00075 -0.00260 -0.00005 0.00000 122 5S 0.00000 0.00236 0.00089 -0.00722 0.00000 123 5PX -0.00034 -0.00000 0.00000 0.00000 -0.00133 124 5PY -0.00000 -0.00054 0.00018 0.00105 -0.00000 125 5PZ 0.00000 0.00039 -0.00002 -0.00249 0.00000 126 6D 0 -0.00000 -0.00000 0.00000 0.00000 -0.00000 127 6D+1 0.00001 0.00000 0.00000 0.00000 0.00007 128 6D-1 0.00000 0.00001 0.00002 0.00003 -0.00000 129 6D+2 -0.00000 0.00000 -0.00000 -0.00001 0.00000 130 6D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00002 131 7D 0 -0.00000 0.00013 0.00009 0.00029 -0.00000 132 7D+1 0.00068 0.00000 0.00000 0.00000 0.00161 133 7D-1 0.00000 0.00033 0.00094 0.00041 -0.00000 134 7D+2 -0.00000 0.00000 0.00004 -0.00007 0.00000 135 7D-2 -0.00015 0.00000 0.00000 -0.00000 -0.00039 136 6 N 1S 0.00000 0.00000 0.00000 0.00008 0.00000 137 2S 0.00000 0.00000 0.00000 0.00009 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00013 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 -0.00000 -0.00000 -0.00017 -0.00000 141 3S -0.00000 -0.00000 -0.00002 -0.00104 -0.00000 142 3PX -0.00002 -0.00000 -0.00000 -0.00000 -0.00107 143 3PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 3PZ -0.00000 -0.00000 -0.00008 -0.00139 -0.00000 145 4S 0.00000 0.00000 0.00012 -0.00163 -0.00000 146 4PX -0.00083 -0.00000 -0.00000 -0.00000 -0.00477 147 4PY -0.00000 -0.00011 -0.00000 -0.00000 -0.00000 148 4PZ -0.00000 -0.00000 -0.00084 -0.00508 -0.00000 149 5S -0.00000 -0.00000 -0.00136 0.00182 -0.00000 150 5PX -0.00119 -0.00000 -0.00000 0.00000 -0.00310 151 5PY -0.00000 -0.00047 0.00000 0.00000 -0.00000 152 5PZ -0.00000 0.00000 -0.00010 0.00041 -0.00000 153 6D 0 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 7D 0 -0.00000 -0.00000 -0.00009 -0.00025 -0.00000 159 7D+1 -0.00002 -0.00000 -0.00000 0.00000 -0.00019 160 7D-1 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 161 7D+2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 162 7D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 163 7 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 164 2S 0.00000 0.00001 0.00001 0.00012 0.00000 165 3S 0.00000 0.00037 0.00029 0.00047 0.00000 166 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 167 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 168 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 169 8 H 1S -0.00000 -0.00019 -0.00000 -0.00042 -0.00000 170 2S -0.00000 -0.00268 -0.00003 -0.00258 -0.00000 171 3S -0.00000 -0.00512 0.00002 -0.00332 -0.00000 172 4PX 0.00004 0.00000 -0.00000 -0.00000 0.00026 173 4PY 0.00000 0.00012 0.00001 -0.00002 -0.00000 174 4PZ 0.00000 0.00002 -0.00001 0.00001 0.00000 175 9 H 1S 0.00000 0.00000 0.03992 0.01509 0.00000 176 2S 0.00000 0.00000 0.07615 0.04690 0.00000 177 3S 0.00000 0.00000 0.01357 0.00475 0.00000 178 4PX 0.00229 0.00000 0.00000 0.00000 0.00182 179 4PY 0.00000 0.00159 0.00000 0.00000 0.00000 180 4PZ 0.00000 0.00000 0.00521 0.00244 0.00000 181 10 H 1S -0.00000 -0.00019 -0.00000 -0.00042 -0.00000 182 2S -0.00000 -0.00268 -0.00003 -0.00258 -0.00000 183 3S -0.00000 -0.00512 0.00002 -0.00332 -0.00000 184 4PX 0.00004 0.00000 0.00000 -0.00000 0.00026 185 4PY 0.00000 0.00012 0.00001 -0.00002 -0.00000 186 4PZ 0.00000 0.00002 -0.00001 0.00001 0.00000 187 11 H 1S 0.00000 0.00000 0.00000 0.00001 0.00000 188 2S 0.00000 0.00001 0.00001 0.00012 0.00000 189 3S 0.00000 0.00037 0.00029 0.00047 0.00000 190 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 191 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 192 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 66 67 68 69 70 66 4PY 0.04579 67 4PZ 0.00000 0.04645 68 5S 0.00000 0.00000 0.08290 69 5PX 0.00000 0.00000 0.00000 0.00200 70 5PY -0.00125 0.00000 0.00000 0.00000 0.00974 71 5PZ 0.00000 0.00464 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 C 1S -0.00151 -0.00004 -0.00093 0.00000 0.00041 83 2S -0.00248 -0.00034 -0.00130 0.00000 0.00067 84 2PX 0.00000 0.00000 0.00000 0.00034 0.00000 85 2PY 0.00121 0.00097 0.00038 0.00000 0.00015 86 2PZ 0.00149 -0.00072 -0.00039 0.00000 0.00017 87 3S 0.02273 0.00707 0.01168 -0.00000 -0.00749 88 3PX -0.00000 0.00000 0.00000 0.00213 0.00000 89 3PY 0.00227 0.00411 0.00206 0.00000 0.00093 90 3PZ 0.00608 -0.00397 -0.00213 0.00000 0.00092 91 4S 0.00918 0.00288 0.00805 -0.00000 -0.00565 92 4PX -0.00000 -0.00000 0.00000 0.00482 0.00000 93 4PY -0.00408 0.00193 0.00222 0.00000 0.00156 94 4PZ 0.00373 -0.00751 -0.00305 0.00000 0.00117 95 5S -0.00412 -0.00037 -0.06973 -0.00000 -0.00318 96 5PX 0.00000 -0.00000 -0.00000 0.00026 0.00000 97 5PY 0.00041 -0.00032 -0.00416 0.00000 0.00223 98 5PZ 0.00065 -0.00023 0.00212 -0.00000 -0.00070 99 6D 0 0.00001 0.00012 -0.00000 -0.00000 -0.00001 100 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00005 -0.00001 0.00001 0.00000 0.00000 102 6D+2 -0.00002 0.00005 -0.00000 -0.00000 -0.00000 103 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00000 104 7D 0 0.00037 0.00120 -0.00000 -0.00000 -0.00003 105 7D+1 -0.00000 0.00000 0.00000 0.00003 0.00000 106 7D-1 0.00001 0.00014 0.00007 0.00000 -0.00001 107 7D+2 0.00025 0.00018 0.00003 0.00000 -0.00003 108 7D-2 -0.00000 0.00000 0.00000 0.00009 0.00000 109 5 C 1S -0.00000 0.00022 -0.00099 0.00000 0.00008 110 2S 0.00002 0.00033 -0.00133 0.00000 0.00020 111 2PX 0.00000 -0.00000 -0.00000 0.00006 0.00000 112 2PY -0.00002 -0.00027 -0.00042 0.00000 0.00008 113 2PZ -0.00013 -0.00048 0.00042 -0.00000 -0.00029 114 3S -0.00064 -0.00422 0.01147 -0.00000 -0.00392 115 3PX 0.00000 -0.00000 -0.00000 0.00037 0.00000 116 3PY -0.00002 -0.00147 -0.00246 0.00000 0.00051 117 3PZ -0.00069 -0.00231 0.00253 -0.00000 -0.00164 118 4S -0.00024 -0.00199 0.01729 -0.00000 -0.00225 119 4PX 0.00000 -0.00000 -0.00000 0.00057 0.00000 120 4PY 0.00045 -0.00105 -0.00350 0.00000 0.00083 121 4PZ -0.00048 -0.00244 0.00271 -0.00000 -0.00204 122 5S 0.00371 -0.00077 0.02552 -0.00000 -0.00110 123 5PX -0.00000 0.00000 -0.00000 0.00018 -0.00000 124 5PY -0.00065 0.00016 -0.00041 -0.00000 -0.00102 125 5PZ 0.00062 -0.00005 0.00501 -0.00000 -0.00049 126 6D 0 -0.00000 -0.00000 0.00002 -0.00000 -0.00001 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00001 0.00005 0.00002 -0.00000 -0.00000 129 6D+2 -0.00000 -0.00001 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 -0.00000 -0.00000 0.00000 131 7D 0 0.00005 0.00005 0.00013 -0.00000 -0.00005 132 7D+1 -0.00000 0.00000 0.00000 0.00011 0.00000 133 7D-1 -0.00006 0.00048 0.00018 0.00000 -0.00001 134 7D+2 0.00001 -0.00001 -0.00004 0.00000 -0.00004 135 7D-2 0.00000 0.00000 -0.00000 -0.00001 0.00000 136 6 N 1S 0.00000 0.00018 0.00072 0.00000 0.00000 137 2S 0.00000 0.00022 0.00092 0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00001 -0.00000 139 2PY -0.00003 -0.00000 -0.00000 -0.00000 -0.00001 140 2PZ -0.00000 -0.00021 -0.00038 -0.00000 0.00000 141 3S -0.00000 -0.00238 -0.00936 -0.00000 -0.00000 142 3PX -0.00000 -0.00000 -0.00000 -0.00007 -0.00000 143 3PY -0.00024 -0.00000 -0.00000 -0.00000 -0.00006 144 3PZ -0.00000 -0.00150 -0.00252 -0.00000 0.00000 145 4S -0.00000 -0.00429 -0.01175 -0.00000 -0.00000 146 4PX -0.00000 -0.00000 -0.00000 -0.00031 -0.00000 147 4PY -0.00079 -0.00000 -0.00000 -0.00000 -0.00041 148 4PZ -0.00000 -0.00279 -0.00637 -0.00000 0.00000 149 5S -0.00000 -0.00151 0.00306 -0.00000 -0.00000 150 5PX -0.00000 -0.00000 -0.00000 -0.00095 -0.00000 151 5PY -0.00074 0.00000 -0.00000 -0.00000 -0.00096 152 5PZ 0.00000 0.00063 -0.00379 -0.00000 -0.00000 153 6D 0 -0.00000 -0.00001 -0.00000 0.00000 0.00000 154 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 -0.00030 -0.00010 0.00000 0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00001 -0.00000 160 7D-1 -0.00011 -0.00000 -0.00000 -0.00000 -0.00009 161 7D+2 -0.00000 0.00000 0.00000 0.00000 -0.00000 162 7D-2 -0.00000 0.00000 0.00000 0.00000 -0.00000 163 7 H 1S 0.00005 0.00005 0.00111 0.00000 0.00036 164 2S 0.00042 0.00040 0.00421 0.00000 0.00134 165 3S 0.00118 0.00116 0.00098 0.00000 0.00171 166 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 167 4PY 0.00001 0.00001 0.00007 0.00000 0.00000 168 4PZ 0.00001 -0.00000 0.00011 -0.00000 -0.00001 169 8 H 1S -0.00205 0.00006 -0.00213 0.00000 0.00085 170 2S -0.00800 0.00024 -0.00931 0.00000 0.00313 171 3S -0.00852 0.00013 -0.00906 0.00000 0.00314 172 4PX -0.00000 0.00000 -0.00000 0.00005 0.00000 173 4PY 0.00007 0.00003 -0.00014 0.00000 0.00001 174 4PZ 0.00004 -0.00003 0.00000 -0.00000 0.00000 175 9 H 1S 0.00000 0.02122 -0.00074 0.00000 0.00000 176 2S 0.00000 0.05307 -0.00243 0.00000 0.00000 177 3S 0.00000 0.01494 0.00153 0.00000 0.00000 178 4PX 0.00000 0.00000 -0.00000 0.00011 0.00000 179 4PY 0.00082 -0.00000 -0.00000 0.00000 0.00000 180 4PZ -0.00000 0.00005 -0.00003 0.00000 -0.00000 181 10 H 1S -0.00205 0.00006 -0.00213 0.00000 0.00085 182 2S -0.00800 0.00024 -0.00931 0.00000 0.00313 183 3S -0.00852 0.00013 -0.00906 0.00000 0.00314 184 4PX -0.00000 0.00000 -0.00000 0.00005 0.00000 185 4PY 0.00007 0.00003 -0.00014 0.00000 0.00001 186 4PZ 0.00004 -0.00003 0.00000 0.00000 0.00000 187 11 H 1S 0.00005 0.00005 0.00111 0.00000 0.00036 188 2S 0.00042 0.00040 0.00421 0.00000 0.00134 189 3S 0.00118 0.00116 0.00098 0.00000 0.00171 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00001 0.00001 0.00007 0.00000 0.00000 192 4PZ 0.00001 -0.00000 0.00011 -0.00000 -0.00001 71 72 73 74 75 71 5PZ 0.00764 72 6D 0 0.00000 0.00046 73 6D+1 0.00000 0.00000 0.00011 74 6D-1 0.00000 0.00000 0.00000 0.00075 75 6D+2 0.00000 0.00000 0.00000 0.00000 0.00039 76 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 77 7D 0 0.00000 0.00017 0.00000 0.00000 0.00000 78 7D+1 0.00000 0.00000 0.00007 0.00000 0.00000 79 7D-1 0.00000 0.00000 0.00000 0.00023 0.00000 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00012 81 7D-2 0.00000 0.00000 0.00000 0.00000 -0.00000 82 4 C 1S -0.00011 -0.00000 -0.00000 -0.00002 -0.00001 83 2S -0.00017 -0.00000 -0.00000 -0.00002 -0.00001 84 2PX -0.00000 0.00000 0.00002 0.00000 0.00000 85 2PY 0.00000 -0.00000 0.00000 0.00040 0.00009 86 2PZ 0.00026 0.00007 0.00000 0.00004 0.00013 87 3S 0.00161 0.00003 0.00000 0.00072 0.00034 88 3PX -0.00000 0.00000 0.00017 0.00000 0.00000 89 3PY 0.00002 0.00001 0.00000 0.00107 0.00019 90 3PZ 0.00143 0.00034 0.00000 0.00004 0.00040 91 4S 0.00083 0.00000 0.00000 0.00010 0.00006 92 4PX -0.00000 0.00000 0.00008 -0.00000 0.00000 93 4PY -0.00002 0.00001 0.00000 0.00004 -0.00002 94 4PZ 0.00115 0.00013 -0.00000 -0.00002 0.00006 95 5S -0.00758 0.00000 -0.00000 -0.00000 0.00000 96 5PX -0.00000 0.00000 0.00000 0.00000 -0.00000 97 5PY -0.00025 0.00000 0.00000 -0.00000 0.00000 98 5PZ -0.00597 0.00000 0.00000 -0.00001 -0.00000 99 6D 0 -0.00000 -0.00002 0.00000 -0.00001 -0.00001 100 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 101 6D-1 0.00000 -0.00000 0.00000 0.00004 0.00002 102 6D+2 0.00000 -0.00001 0.00000 0.00001 0.00002 103 6D-2 -0.00000 -0.00000 0.00001 -0.00000 0.00000 104 7D 0 -0.00002 -0.00003 0.00000 -0.00003 -0.00003 105 7D+1 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 106 7D-1 -0.00003 -0.00001 0.00000 -0.00000 0.00000 107 7D+2 0.00000 -0.00001 -0.00000 -0.00001 0.00000 108 7D-2 -0.00000 -0.00000 0.00003 -0.00000 -0.00000 109 5 C 1S -0.00050 -0.00000 -0.00000 -0.00000 0.00000 110 2S -0.00070 0.00000 0.00000 0.00000 -0.00000 111 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 112 2PY -0.00012 0.00000 0.00000 0.00000 0.00000 113 2PZ 0.00004 0.00000 0.00000 0.00000 -0.00000 114 3S 0.00607 0.00000 0.00000 0.00000 -0.00000 115 3PX -0.00000 0.00000 0.00000 -0.00000 0.00000 116 3PY -0.00058 0.00000 0.00000 0.00000 0.00000 117 3PZ 0.00018 0.00002 0.00000 0.00001 -0.00001 118 4S 0.00817 0.00001 0.00000 0.00000 -0.00000 119 4PX -0.00000 0.00000 0.00001 0.00000 -0.00000 120 4PY -0.00051 -0.00000 0.00000 0.00000 0.00000 121 4PZ 0.00001 0.00002 0.00000 0.00003 -0.00001 122 5S 0.01220 0.00000 0.00000 0.00001 0.00000 123 5PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 124 5PY -0.00034 -0.00000 0.00000 -0.00000 -0.00000 125 5PZ -0.00114 -0.00000 0.00000 0.00000 -0.00000 126 6D 0 -0.00000 0.00000 0.00000 0.00000 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 130 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 131 7D 0 0.00002 0.00000 -0.00000 0.00001 -0.00000 132 7D+1 0.00000 0.00000 0.00001 0.00000 0.00000 133 7D-1 0.00002 -0.00000 0.00000 0.00001 0.00000 134 7D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 135 7D-2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 136 6 N 1S 0.00046 0.00000 0.00000 0.00000 -0.00000 137 2S 0.00065 -0.00000 -0.00000 -0.00000 -0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 140 2PZ 0.00012 -0.00000 -0.00000 -0.00000 0.00000 141 3S -0.00769 -0.00000 0.00000 -0.00000 -0.00000 142 3PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 143 3PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 144 3PZ 0.00069 -0.00000 -0.00000 -0.00000 0.00000 145 4S -0.01517 0.00000 -0.00000 0.00000 -0.00000 146 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 147 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 148 4PZ 0.00205 -0.00002 0.00000 -0.00000 0.00000 149 5S -0.00460 0.00001 0.00000 0.00000 -0.00000 150 5PX -0.00000 -0.00000 -0.00001 -0.00000 -0.00000 151 5PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 152 5PZ -0.00004 -0.00001 0.00000 -0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 157 6D-2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 158 7D 0 0.00001 0.00000 0.00000 0.00000 -0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 0.00000 -0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 163 7 H 1S 0.00062 -0.00000 -0.00000 -0.00000 0.00000 164 2S 0.00224 -0.00000 -0.00000 -0.00000 0.00000 165 3S 0.00126 -0.00000 0.00000 0.00000 0.00000 166 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 167 4PY 0.00004 -0.00000 -0.00000 -0.00000 0.00000 168 4PZ 0.00003 0.00000 0.00000 0.00000 -0.00000 169 8 H 1S -0.00001 0.00000 -0.00000 -0.00000 0.00000 170 2S -0.00003 0.00003 -0.00000 -0.00001 0.00003 171 3S -0.00004 0.00001 -0.00000 -0.00001 0.00001 172 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 173 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4PZ 0.00001 -0.00000 -0.00000 -0.00000 0.00000 175 9 H 1S 0.00158 0.00107 -0.00000 0.00000 -0.00000 176 2S 0.00533 0.00099 -0.00000 0.00000 -0.00000 177 3S 0.00108 0.00005 0.00000 0.00000 -0.00000 178 4PX 0.00000 -0.00000 -0.00005 -0.00000 -0.00000 179 4PY -0.00000 0.00000 -0.00000 -0.00007 -0.00000 180 4PZ -0.00015 0.00017 -0.00000 0.00000 0.00000 181 10 H 1S -0.00001 0.00000 -0.00000 -0.00000 0.00000 182 2S -0.00003 0.00003 -0.00000 -0.00001 0.00003 183 3S -0.00004 0.00001 0.00000 -0.00001 0.00001 184 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 185 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 186 4PZ 0.00001 -0.00000 -0.00000 -0.00000 0.00000 187 11 H 1S 0.00062 -0.00000 -0.00000 -0.00000 0.00000 188 2S 0.00224 -0.00000 -0.00000 -0.00000 0.00000 189 3S 0.00126 -0.00000 0.00000 0.00000 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00004 -0.00000 -0.00000 -0.00000 0.00000 192 4PZ 0.00003 0.00000 -0.00000 0.00000 -0.00000 76 77 78 79 80 76 6D-2 0.00022 77 7D 0 0.00000 0.00115 78 7D+1 0.00000 0.00000 0.00025 79 7D-1 0.00000 0.00000 0.00000 0.00075 80 7D+2 0.00000 0.00000 0.00000 0.00000 0.00063 81 7D-2 0.00031 0.00000 0.00000 0.00000 -0.00000 82 4 C 1S -0.00000 -0.00002 -0.00000 -0.00064 -0.00034 83 2S -0.00000 -0.00002 -0.00000 -0.00081 -0.00046 84 2PX 0.00006 0.00000 0.00026 0.00000 0.00000 85 2PY 0.00000 0.00010 0.00000 0.00061 -0.00012 86 2PZ 0.00000 0.00081 0.00000 0.00003 0.00049 87 3S 0.00000 -0.00003 0.00000 0.00231 0.00156 88 3PX 0.00042 0.00000 0.00098 0.00000 0.00000 89 3PY 0.00000 0.00038 0.00000 0.00117 0.00004 90 3PZ 0.00000 0.00264 0.00000 0.00051 0.00121 91 4S 0.00000 -0.00004 0.00000 0.00043 0.00032 92 4PX 0.00023 0.00000 0.00062 0.00000 0.00000 93 4PY 0.00000 0.00027 -0.00000 0.00001 0.00032 94 4PZ 0.00000 0.00125 0.00000 0.00046 0.00034 95 5S 0.00000 0.00003 0.00000 0.00002 0.00008 96 5PX 0.00001 0.00000 -0.00000 -0.00000 0.00000 97 5PY -0.00000 -0.00001 0.00000 -0.00003 0.00000 98 5PZ -0.00000 -0.00012 -0.00000 -0.00011 -0.00000 99 6D 0 -0.00000 -0.00004 0.00000 -0.00003 -0.00002 100 6D+1 -0.00001 0.00000 -0.00000 0.00000 -0.00000 101 6D-1 0.00000 0.00001 -0.00000 -0.00000 -0.00000 102 6D+2 0.00000 -0.00002 0.00000 -0.00000 0.00000 103 6D-2 0.00000 -0.00000 0.00002 -0.00000 0.00000 104 7D 0 -0.00000 -0.00004 0.00000 -0.00006 -0.00008 105 7D+1 -0.00004 -0.00000 -0.00002 -0.00000 -0.00000 106 7D-1 0.00000 0.00003 -0.00000 -0.00002 -0.00000 107 7D+2 0.00000 0.00000 0.00000 0.00001 -0.00000 108 7D-2 -0.00001 -0.00000 0.00011 -0.00000 -0.00000 109 5 C 1S 0.00000 -0.00002 -0.00000 -0.00002 0.00001 110 2S -0.00000 -0.00003 -0.00000 -0.00002 0.00001 111 2PX 0.00000 0.00000 0.00001 -0.00000 0.00000 112 2PY -0.00000 0.00003 -0.00000 -0.00001 0.00000 113 2PZ -0.00000 0.00011 0.00000 0.00013 -0.00002 114 3S -0.00000 0.00063 0.00000 0.00030 -0.00010 115 3PX 0.00000 0.00000 0.00011 -0.00000 0.00000 116 3PY -0.00000 0.00019 -0.00000 -0.00004 -0.00000 117 3PZ -0.00000 0.00062 0.00000 0.00083 -0.00011 118 4S -0.00000 0.00029 0.00000 0.00017 -0.00005 119 4PX 0.00004 0.00000 0.00019 0.00000 -0.00000 120 4PY -0.00000 0.00002 0.00000 0.00001 -0.00003 121 4PZ -0.00000 0.00012 0.00000 0.00046 -0.00005 122 5S -0.00000 0.00026 0.00000 0.00006 -0.00002 123 5PX 0.00000 0.00000 0.00003 0.00000 0.00000 124 5PY 0.00000 -0.00002 0.00000 0.00003 -0.00001 125 5PZ -0.00000 -0.00011 0.00000 0.00001 -0.00001 126 6D 0 -0.00000 0.00000 0.00000 0.00001 -0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00001 -0.00000 129 6D+2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 -0.00000 0.00000 -0.00000 0.00000 131 7D 0 -0.00000 0.00000 -0.00000 0.00001 0.00000 132 7D+1 0.00000 0.00000 0.00006 0.00000 0.00000 133 7D-1 0.00000 0.00008 -0.00000 0.00004 0.00001 134 7D+2 0.00000 0.00001 -0.00000 0.00001 0.00000 135 7D-2 -0.00000 -0.00000 0.00000 -0.00000 0.00000 136 6 N 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 137 2S 0.00000 0.00000 0.00000 0.00000 -0.00000 138 2PX -0.00000 0.00000 0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 140 2PZ 0.00000 0.00002 0.00000 0.00000 0.00000 141 3S 0.00000 -0.00001 -0.00000 -0.00000 0.00000 142 3PX -0.00000 0.00000 0.00001 -0.00000 0.00000 143 3PY -0.00000 0.00000 -0.00000 -0.00004 -0.00000 144 3PZ 0.00000 0.00018 0.00000 0.00000 -0.00000 145 4S -0.00000 -0.00007 0.00000 -0.00000 -0.00000 146 4PX -0.00000 0.00000 0.00006 -0.00000 0.00000 147 4PY -0.00000 0.00000 -0.00000 -0.00014 -0.00000 148 4PZ 0.00000 0.00050 -0.00000 0.00000 0.00000 149 5S -0.00000 -0.00007 0.00000 -0.00000 -0.00000 150 5PX -0.00000 -0.00000 -0.00008 0.00000 -0.00000 151 5PY -0.00000 -0.00000 0.00000 0.00004 -0.00000 152 5PZ 0.00000 -0.00008 0.00000 -0.00000 0.00000 153 6D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 6D-1 0.00000 0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 0.00000 -0.00000 0.00000 -0.00000 0.00000 157 6D-2 0.00000 -0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 0.00009 0.00000 0.00000 -0.00000 159 7D+1 -0.00000 0.00000 0.00001 0.00000 -0.00000 160 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 161 7D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 162 7D-2 0.00000 -0.00000 -0.00000 0.00000 0.00000 163 7 H 1S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 164 2S 0.00000 -0.00001 0.00000 0.00000 -0.00000 165 3S 0.00000 -0.00004 0.00000 0.00000 0.00001 166 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 167 4PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 168 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 169 8 H 1S 0.00000 0.00014 -0.00000 -0.00004 0.00031 170 2S 0.00000 0.00059 -0.00000 -0.00016 0.00122 171 3S 0.00000 0.00013 -0.00000 -0.00007 0.00024 172 4PX 0.00000 -0.00000 0.00000 -0.00000 0.00000 173 4PY 0.00000 0.00005 -0.00000 -0.00001 0.00011 174 4PZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 175 9 H 1S -0.00000 0.00012 0.00000 -0.00000 -0.00000 176 2S -0.00000 0.00017 0.00000 -0.00000 -0.00000 177 3S -0.00000 0.00020 0.00000 0.00000 -0.00000 178 4PX -0.00000 -0.00000 -0.00014 -0.00000 -0.00000 179 4PY -0.00000 0.00000 -0.00000 -0.00008 -0.00000 180 4PZ -0.00000 0.00001 0.00000 0.00000 -0.00000 181 10 H 1S 0.00000 0.00014 -0.00000 -0.00004 0.00031 182 2S 0.00000 0.00059 -0.00000 -0.00016 0.00122 183 3S 0.00000 0.00013 0.00000 -0.00007 0.00024 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00005 -0.00000 -0.00001 0.00011 186 4PZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 187 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00000 -0.00001 -0.00000 0.00000 -0.00000 189 3S 0.00000 -0.00004 -0.00000 0.00000 0.00001 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 192 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 81 82 83 84 85 81 7D-2 0.00214 82 4 C 1S -0.00000 0.65852 83 2S -0.00000 0.49215 0.48968 84 2PX 0.00139 0.00000 0.00000 0.06809 85 2PY -0.00000 0.00000 0.00000 0.00000 0.09087 86 2PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 87 3S 0.00000 -0.02585 -0.05905 0.00000 0.00000 88 3PX 0.00524 0.00000 0.00000 0.06587 0.00000 89 3PY -0.00000 0.00000 0.00000 0.00000 0.07845 90 3PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 91 4S 0.00000 -0.00970 -0.01714 0.00000 0.00000 92 4PX 0.00388 0.00000 0.00000 0.01858 0.00000 93 4PY -0.00000 0.00000 0.00000 0.00000 0.01458 94 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 95 5S 0.00000 0.00316 0.00394 0.00000 0.00000 96 5PX 0.00020 0.00000 0.00000 0.00066 0.00000 97 5PY -0.00000 0.00000 0.00000 0.00000 0.00021 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 -0.00005 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 0.00001 -0.00000 -0.00000 0.00000 0.00000 104 7D 0 -0.00000 0.00000 0.00000 0.00000 0.00000 105 7D+1 -0.00033 -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 -0.00006 0.00000 0.00000 0.00000 0.00000 109 5 C 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 110 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 111 2PX 0.00004 -0.00000 -0.00000 0.00020 0.00000 112 2PY 0.00000 -0.00000 -0.00000 0.00000 0.00002 113 2PZ -0.00000 -0.00005 -0.00004 0.00000 0.00000 114 3S -0.00000 -0.00036 -0.00062 0.00000 0.00002 115 3PX 0.00039 -0.00000 -0.00000 0.00340 0.00000 116 3PY -0.00000 -0.00000 -0.00000 0.00000 0.00030 117 3PZ -0.00000 -0.00177 -0.00312 0.00000 0.00002 118 4S -0.00000 -0.00014 -0.00040 -0.00000 -0.00001 119 4PX 0.00097 -0.00000 -0.00000 0.00467 0.00000 120 4PY -0.00000 -0.00001 -0.00001 0.00000 -0.00056 121 4PZ -0.00000 -0.00115 -0.00223 0.00000 -0.00000 122 5S -0.00000 -0.00241 -0.00311 0.00000 0.00003 123 5PX 0.00007 0.00000 0.00000 0.00031 0.00000 124 5PY 0.00000 0.00001 0.00001 0.00000 0.00006 125 5PZ -0.00000 -0.00055 -0.00073 0.00000 0.00001 126 6D 0 -0.00000 -0.00003 -0.00003 0.00000 0.00000 127 6D+1 0.00000 -0.00000 -0.00000 0.00009 0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00009 129 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 -0.00000 -0.00093 -0.00126 0.00000 0.00001 132 7D+1 0.00012 -0.00000 -0.00000 0.00174 0.00000 133 7D-1 -0.00000 -0.00001 -0.00000 0.00000 0.00182 134 7D+2 0.00000 0.00000 0.00000 0.00000 0.00001 135 7D-2 -0.00001 0.00000 0.00000 0.00002 0.00000 136 6 N 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 138 2PX 0.00000 0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 140 2PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 141 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 142 3PX 0.00000 0.00000 0.00000 -0.00000 -0.00000 143 3PY -0.00000 0.00000 0.00000 -0.00000 -0.00000 144 3PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 145 4S -0.00000 -0.00004 -0.00005 0.00000 0.00001 146 4PX 0.00000 0.00000 0.00000 -0.00007 -0.00000 147 4PY -0.00000 0.00001 0.00002 -0.00000 -0.00002 148 4PZ -0.00000 0.00006 0.00015 -0.00000 -0.00001 149 5S 0.00000 -0.00005 -0.00008 -0.00000 -0.00009 150 5PX -0.00000 0.00000 0.00000 -0.00021 0.00000 151 5PY 0.00000 0.00003 0.00001 -0.00000 0.00001 152 5PZ 0.00000 0.00022 0.00035 -0.00000 -0.00004 153 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 156 6D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 157 6D-2 0.00000 0.00000 -0.00000 0.00000 -0.00000 158 7D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 159 7D+1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 160 7D-1 0.00000 -0.00000 -0.00000 0.00000 -0.00000 161 7D+2 -0.00000 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00001 0.00000 0.00000 0.00001 0.00000 163 7 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 164 2S 0.00000 0.00002 0.00003 -0.00000 -0.00004 165 3S 0.00000 0.00016 0.00026 -0.00000 -0.00016 166 4PX 0.00000 0.00000 0.00000 0.00000 -0.00000 167 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 169 8 H 1S 0.00000 -0.00025 -0.00036 0.00000 0.00648 170 2S 0.00000 -0.00245 -0.00428 0.00000 0.01566 171 3S 0.00000 0.00010 0.00017 0.00000 0.00209 172 4PX 0.00005 -0.00000 -0.00000 0.00056 0.00000 173 4PY 0.00000 -0.00046 -0.00074 0.00000 0.00146 174 4PZ -0.00000 -0.00013 -0.00021 0.00000 0.00095 175 9 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00000 176 2S -0.00000 0.00001 0.00002 -0.00000 -0.00009 177 3S -0.00000 0.00014 0.00021 -0.00000 -0.00025 178 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 179 4PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 180 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 181 10 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 182 2S 0.00000 -0.00000 -0.00000 0.00000 0.00000 183 3S 0.00000 -0.00001 -0.00001 0.00000 0.00009 184 4PX 0.00005 0.00000 0.00000 -0.00000 -0.00000 185 4PY 0.00000 -0.00000 0.00000 -0.00000 -0.00000 186 4PZ -0.00000 0.00000 -0.00000 0.00000 0.00000 187 11 H 1S 0.00000 -0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 189 3S 0.00000 0.00000 0.00000 -0.00000 -0.00000 190 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 191 4PY 0.00000 0.00000 -0.00000 0.00000 -0.00000 192 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 86 87 88 89 90 86 2PZ 0.09242 87 3S 0.00000 0.43197 88 3PX 0.00000 0.00000 0.16101 89 3PY -0.00000 0.00000 0.00000 0.17141 90 3PZ 0.08097 0.00000 0.00000 -0.00000 0.17938 91 4S 0.00000 0.17301 0.00000 0.00000 0.00000 92 4PX 0.00000 0.00000 0.08475 0.00000 0.00000 93 4PY 0.00000 0.00000 0.00000 0.05929 -0.00000 94 4PZ 0.01526 0.00000 0.00000 0.00000 0.06306 95 5S 0.00000 -0.02351 0.00000 0.00000 0.00000 96 5PX -0.00000 0.00000 0.00395 0.00000 -0.00000 97 5PY 0.00000 0.00000 0.00000 0.00106 0.00000 98 5PZ -0.00068 0.00000 0.00000 -0.00000 -0.00381 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 C 1S -0.00005 -0.00036 -0.00000 -0.00000 -0.00180 110 2S -0.00004 -0.00061 -0.00000 -0.00001 -0.00316 111 2PX 0.00000 0.00000 0.00338 0.00000 0.00000 112 2PY 0.00000 0.00000 0.00000 0.00035 0.00003 113 2PZ 0.00286 0.00782 0.00000 0.00001 0.01982 114 3S 0.00807 0.01476 0.00000 0.00010 0.04296 115 3PX 0.00000 0.00000 0.02008 0.00000 0.00000 116 3PY 0.00004 0.00001 0.00000 0.00197 0.00013 117 3PZ 0.02001 0.04202 0.00000 0.00007 0.06191 118 4S 0.00259 0.00683 -0.00000 -0.00007 0.01219 119 4PX 0.00000 -0.00000 0.02467 0.00000 0.00000 120 4PY 0.00002 -0.00010 0.00000 -0.00233 0.00006 121 4PZ 0.00311 0.02494 0.00000 -0.00001 0.00978 122 5S 0.00025 0.02196 0.00000 0.00016 0.00134 123 5PX 0.00000 -0.00000 0.00190 0.00000 0.00000 124 5PY 0.00001 -0.00008 0.00000 0.00042 0.00005 125 5PZ -0.00019 0.00505 0.00000 0.00003 -0.00114 126 6D 0 0.00067 0.00114 0.00000 0.00001 0.00159 127 6D+1 0.00000 0.00000 0.00059 0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00054 0.00001 129 6D+2 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 130 6D-2 -0.00000 -0.00000 0.00000 0.00000 -0.00000 131 7D 0 0.00056 0.00448 0.00000 0.00002 0.00074 132 7D+1 0.00000 -0.00000 0.00659 0.00000 0.00000 133 7D-1 0.00003 -0.00004 0.00000 0.00611 0.00006 134 7D+2 -0.00000 -0.00000 0.00000 0.00004 -0.00000 135 7D-2 -0.00000 -0.00000 0.00007 0.00000 -0.00000 136 6 N 1S 0.00000 0.00000 0.00000 0.00000 0.00000 137 2S -0.00000 0.00000 0.00000 0.00000 0.00000 138 2PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 139 2PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 140 2PZ -0.00000 -0.00001 -0.00000 -0.00000 -0.00004 141 3S -0.00000 -0.00002 -0.00000 -0.00006 -0.00010 142 3PX -0.00000 -0.00000 -0.00003 -0.00000 -0.00000 143 3PY -0.00000 -0.00007 0.00000 -0.00002 -0.00023 144 3PZ -0.00002 -0.00032 -0.00000 -0.00008 -0.00078 145 4S 0.00019 0.00103 0.00000 0.00015 0.00151 146 4PX -0.00000 -0.00000 -0.00053 0.00000 -0.00000 147 4PY -0.00007 -0.00035 0.00000 -0.00005 -0.00049 148 4PZ -0.00083 -0.00420 -0.00000 -0.00017 -0.00469 149 5S 0.00047 0.00128 -0.00000 -0.00052 0.00267 150 5PX 0.00000 0.00000 -0.00131 -0.00000 0.00000 151 5PY 0.00015 0.00041 -0.00000 0.00008 0.00083 152 5PZ -0.00026 -0.00373 -0.00000 -0.00023 -0.00121 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 158 7D 0 0.00001 -0.00003 0.00000 -0.00004 0.00009 159 7D+1 0.00000 0.00000 0.00003 0.00000 0.00000 160 7D-1 0.00002 0.00007 0.00000 0.00001 0.00027 161 7D+2 -0.00000 -0.00001 0.00000 0.00000 -0.00003 162 7D-2 0.00000 0.00000 0.00013 0.00000 0.00000 163 7 H 1S -0.00000 -0.00007 -0.00000 -0.00002 -0.00021 164 2S -0.00028 -0.00165 -0.00000 -0.00032 -0.00281 165 3S -0.00098 -0.00355 -0.00000 -0.00082 -0.00555 166 4PX -0.00000 -0.00000 0.00004 -0.00000 -0.00000 167 4PY -0.00000 -0.00003 -0.00000 -0.00000 -0.00004 168 4PZ 0.00001 0.00001 -0.00000 0.00000 0.00015 169 8 H 1S 0.00185 0.01612 0.00000 0.03087 0.00880 170 2S 0.00462 0.04891 0.00000 0.05832 0.01721 171 3S 0.00061 -0.00255 0.00000 0.00986 0.00287 172 4PX 0.00000 0.00000 0.00248 0.00000 0.00000 173 4PY 0.00098 0.00566 0.00000 0.00219 0.00221 174 4PZ 0.00001 0.00160 0.00000 0.00215 0.00020 175 9 H 1S -0.00000 -0.00006 -0.00000 -0.00007 -0.00013 176 2S -0.00020 -0.00142 -0.00000 -0.00096 -0.00188 177 3S -0.00067 -0.00256 -0.00000 -0.00148 -0.00370 178 4PX 0.00000 0.00000 0.00004 0.00000 0.00000 179 4PY 0.00000 0.00003 0.00000 0.00005 0.00007 180 4PZ 0.00000 -0.00004 -0.00000 0.00000 0.00001 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 182 2S 0.00000 0.00000 0.00000 0.00002 0.00000 183 3S 0.00001 0.00028 0.00000 0.00067 0.00006 184 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00000 185 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 187 11 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 188 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 189 3S -0.00001 -0.00005 -0.00000 -0.00002 -0.00005 190 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 4PY -0.00000 -0.00000 0.00000 -0.00000 -0.00000 192 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 91 92 93 94 95 91 4S 0.12915 92 4PX 0.00000 0.10513 93 4PY 0.00000 0.00000 0.05160 94 4PZ 0.00000 0.00000 0.00000 0.05482 95 5S -0.01898 0.00000 0.00000 0.00000 0.20324 96 5PX 0.00000 0.01003 0.00000 -0.00000 0.00000 97 5PY 0.00000 0.00000 0.00288 0.00000 0.00000 98 5PZ 0.00000 0.00000 -0.00000 -0.00354 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 C 1S -0.00137 -0.00000 -0.00003 -0.00188 0.00287 110 2S -0.00192 -0.00000 -0.00005 -0.00320 0.00400 111 2PX -0.00000 0.00482 0.00000 0.00000 -0.00000 112 2PY -0.00005 0.00000 0.00070 -0.00003 -0.00002 113 2PZ 0.00421 0.00000 -0.00004 0.00403 -0.00034 114 3S 0.01505 0.00000 0.00048 0.03062 -0.03612 115 3PX -0.00000 0.02564 0.00000 0.00000 -0.00000 116 3PY -0.00022 0.00000 0.00356 -0.00008 -0.00007 117 3PZ 0.02030 0.00000 -0.00013 0.01280 -0.00177 118 4S -0.00339 0.00000 0.00004 0.00612 -0.04864 119 4PX -0.00000 0.03997 0.00000 0.00000 -0.00000 120 4PY -0.00016 0.00000 -0.00290 -0.00001 -0.00011 121 4PZ 0.01409 0.00000 -0.00011 0.00010 0.00182 122 5S 0.01972 0.00000 0.00029 0.00030 -0.13854 123 5PX -0.00000 0.00439 0.00000 0.00000 -0.00000 124 5PY -0.00011 0.00000 0.00013 0.00005 -0.00007 125 5PZ 0.00387 0.00000 0.00005 -0.00177 -0.01877 126 6D 0 0.00022 0.00000 -0.00000 -0.00004 0.00000 127 6D+1 -0.00000 0.00031 0.00000 -0.00000 -0.00000 128 6D-1 0.00001 0.00000 0.00016 0.00000 0.00000 129 6D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 -0.00000 0.00000 0.00000 -0.00000 -0.00000 131 7D 0 0.00114 0.00000 -0.00002 -0.00046 0.00018 132 7D+1 -0.00000 0.00469 0.00000 -0.00000 -0.00000 133 7D-1 0.00002 0.00000 0.00264 0.00001 0.00003 134 7D+2 0.00000 0.00000 0.00001 -0.00000 -0.00000 135 7D-2 -0.00000 0.00006 0.00000 -0.00000 -0.00000 136 6 N 1S -0.00023 -0.00000 -0.00020 -0.00021 -0.00114 137 2S -0.00029 -0.00000 -0.00022 -0.00026 -0.00173 138 2PX -0.00000 -0.00010 0.00000 -0.00000 -0.00000 139 2PY -0.00003 0.00000 0.00000 -0.00011 -0.00002 140 2PZ -0.00020 0.00000 0.00017 -0.00059 -0.00098 141 3S 0.00327 0.00000 0.00134 0.00228 0.02358 142 3PX -0.00000 -0.00069 0.00000 -0.00000 -0.00000 143 3PY -0.00021 0.00000 0.00001 -0.00063 -0.00010 144 3PZ -0.00138 0.00000 0.00103 -0.00342 -0.00613 145 4S 0.01153 0.00000 0.00242 0.01078 0.05736 146 4PX -0.00000 -0.00259 -0.00000 -0.00000 -0.00000 147 4PY -0.00011 -0.00000 -0.00001 -0.00038 0.00011 148 4PZ -0.00579 0.00000 0.00250 -0.00752 -0.01976 149 5S 0.00238 -0.00000 -0.00191 0.00657 0.03220 150 5PX 0.00000 -0.00312 -0.00000 0.00000 0.00000 151 5PY 0.00048 -0.00000 0.00020 0.00107 0.00105 152 5PZ -0.00505 -0.00000 -0.00005 -0.00128 0.00105 153 6D 0 0.00000 0.00000 0.00000 0.00000 -0.00001 154 6D+1 0.00000 0.00000 -0.00000 0.00000 -0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00001 0.00000 156 6D+2 -0.00000 -0.00000 -0.00000 -0.00001 0.00000 157 6D-2 -0.00000 0.00001 0.00000 -0.00000 0.00000 158 7D 0 -0.00001 0.00000 0.00002 0.00002 -0.00022 159 7D+1 0.00000 0.00002 -0.00000 0.00000 -0.00000 160 7D-1 0.00010 0.00000 0.00000 0.00023 0.00004 161 7D+2 0.00001 0.00000 -0.00003 -0.00003 0.00001 162 7D-2 0.00000 0.00047 0.00000 0.00000 0.00000 163 7 H 1S -0.00134 -0.00000 -0.00042 -0.00264 -0.00420 164 2S -0.00699 -0.00000 -0.00159 -0.01013 -0.01468 165 3S -0.00759 -0.00000 -0.00144 -0.01059 -0.01217 166 4PX -0.00000 0.00028 0.00000 -0.00000 -0.00000 167 4PY -0.00011 0.00000 0.00002 -0.00016 -0.00009 168 4PZ -0.00006 -0.00000 -0.00001 0.00013 -0.00023 169 8 H 1S 0.01294 0.00000 0.01722 0.00518 0.00187 170 2S 0.03858 0.00000 0.04266 0.01347 0.00747 171 3S 0.00154 0.00000 0.01056 0.00372 0.00602 172 4PX 0.00000 0.00205 0.00000 0.00000 0.00000 173 4PY 0.00169 -0.00000 -0.00031 0.00056 0.00002 174 4PZ 0.00053 0.00000 0.00053 0.00014 0.00001 175 9 H 1S -0.00071 -0.00000 -0.00049 -0.00172 0.00054 176 2S -0.00393 -0.00000 -0.00206 -0.00676 0.00298 177 3S -0.00303 -0.00000 -0.00221 -0.00685 -0.00214 178 4PX 0.00000 0.00027 -0.00000 0.00000 -0.00000 179 4PY 0.00006 -0.00000 0.00002 0.00013 -0.00004 180 4PZ -0.00014 -0.00000 -0.00000 -0.00008 0.00009 181 10 H 1S -0.00000 0.00000 0.00007 0.00001 0.00069 182 2S -0.00004 0.00000 0.00059 0.00010 0.00292 183 3S 0.00018 0.00000 0.00210 0.00021 0.00155 184 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 185 4PY -0.00001 0.00000 0.00000 0.00001 0.00009 186 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 187 11 H 1S -0.00000 0.00000 0.00000 -0.00000 -0.00029 188 2S -0.00003 0.00000 0.00001 -0.00007 -0.00091 189 3S -0.00033 -0.00000 -0.00001 -0.00036 -0.00032 190 4PX -0.00000 -0.00000 0.00000 -0.00000 -0.00000 191 4PY -0.00000 0.00000 0.00000 -0.00000 -0.00003 192 4PZ -0.00000 -0.00000 -0.00000 0.00000 -0.00004 96 97 98 99 100 96 5PX 0.00462 97 5PY 0.00000 0.00455 98 5PZ 0.00000 -0.00000 0.01883 99 6D 0 0.00000 0.00000 0.00000 0.00062 100 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00016 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 0.00023 0.00000 105 7D+1 0.00000 0.00000 0.00000 0.00000 0.00021 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 C 1S 0.00000 0.00001 0.00080 -0.00002 -0.00000 110 2S 0.00000 0.00001 0.00133 -0.00003 -0.00000 111 2PX 0.00015 0.00000 0.00000 0.00000 0.00007 112 2PY 0.00000 0.00025 0.00001 0.00000 0.00000 113 2PZ 0.00000 0.00000 0.00025 0.00062 0.00000 114 3S 0.00000 0.00008 -0.01572 0.00111 0.00000 115 3PX 0.00095 0.00000 0.00000 0.00000 0.00051 116 3PY 0.00000 0.00145 0.00004 0.00001 0.00000 117 3PZ 0.00000 0.00002 0.00151 0.00148 0.00000 118 4S -0.00000 0.00000 -0.01410 0.00015 -0.00000 119 4PX 0.00312 0.00000 0.00000 0.00000 0.00026 120 4PY 0.00000 0.00137 0.00004 0.00000 0.00000 121 4PZ 0.00000 0.00003 0.00133 -0.00003 -0.00000 122 5S -0.00000 -0.00008 -0.02305 0.00001 -0.00000 123 5PX -0.00035 -0.00000 -0.00000 0.00000 0.00001 124 5PY -0.00000 -0.00176 -0.00003 0.00000 0.00000 125 5PZ -0.00000 0.00000 0.00788 -0.00001 -0.00000 126 6D 0 0.00000 -0.00000 0.00000 0.00010 -0.00000 127 6D+1 0.00001 -0.00000 -0.00000 0.00000 -0.00000 128 6D-1 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 129 6D+2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 -0.00000 -0.00000 -0.00000 131 7D 0 0.00000 -0.00000 -0.00018 0.00001 -0.00000 132 7D+1 0.00022 0.00000 -0.00000 0.00000 -0.00001 133 7D-1 -0.00000 -0.00003 -0.00001 0.00000 -0.00000 134 7D+2 0.00000 0.00000 -0.00000 -0.00000 0.00000 135 7D-2 0.00001 0.00000 -0.00000 0.00000 -0.00000 136 6 N 1S -0.00000 -0.00016 -0.00034 0.00000 -0.00000 137 2S -0.00000 -0.00019 -0.00059 0.00000 -0.00000 138 2PX -0.00019 -0.00000 -0.00000 -0.00000 0.00000 139 2PY -0.00000 0.00001 -0.00001 -0.00000 0.00000 140 2PZ 0.00000 0.00006 -0.00017 -0.00000 0.00000 141 3S 0.00000 0.00138 0.00910 -0.00000 0.00000 142 3PX -0.00128 -0.00000 -0.00000 -0.00000 0.00000 143 3PY -0.00000 0.00003 -0.00007 -0.00000 0.00000 144 3PZ 0.00000 0.00041 -0.00092 -0.00000 0.00000 145 4S 0.00000 0.00122 0.02430 -0.00000 -0.00000 146 4PX -0.00389 -0.00000 -0.00000 -0.00000 0.00004 147 4PY -0.00000 0.00003 -0.00019 -0.00001 0.00000 148 4PZ 0.00000 0.00092 -0.00118 -0.00001 0.00000 149 5S -0.00000 -0.00040 0.01206 0.00001 0.00000 150 5PX -0.00022 -0.00000 -0.00000 -0.00000 0.00000 151 5PY -0.00000 -0.00038 -0.00016 0.00000 -0.00000 152 5PZ 0.00000 0.00026 0.00017 0.00000 -0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 -0.00000 0.00000 0.00000 0.00000 155 6D-1 -0.00000 -0.00000 -0.00000 0.00000 0.00000 156 6D+2 0.00000 -0.00000 -0.00000 -0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00002 0.00012 0.00000 0.00000 159 7D+1 -0.00009 -0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00000 -0.00002 -0.00001 0.00000 0.00000 161 7D+2 -0.00000 0.00001 0.00001 -0.00000 0.00000 162 7D-2 0.00005 -0.00000 0.00000 -0.00000 0.00000 163 7 H 1S 0.00000 0.00024 -0.00058 -0.00000 0.00000 164 2S 0.00000 0.00070 -0.00185 -0.00002 0.00000 165 3S 0.00000 0.00046 -0.00159 -0.00003 0.00000 166 4PX 0.00003 -0.00000 -0.00000 -0.00000 0.00000 167 4PY -0.00000 -0.00001 -0.00002 -0.00000 0.00000 168 4PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 169 8 H 1S 0.00000 0.00118 -0.00006 0.00006 0.00000 170 2S 0.00000 0.00378 -0.00015 0.00006 0.00000 171 3S 0.00000 0.00098 -0.00041 0.00001 -0.00000 172 4PX 0.00012 -0.00000 0.00000 -0.00000 -0.00001 173 4PY -0.00000 -0.00012 0.00001 -0.00001 0.00000 174 4PZ 0.00000 0.00001 -0.00004 -0.00003 -0.00000 175 9 H 1S 0.00000 0.00015 -0.00061 0.00000 0.00000 176 2S 0.00000 0.00057 -0.00255 0.00004 0.00000 177 3S 0.00000 0.00038 -0.00011 0.00003 -0.00000 178 4PX 0.00003 0.00000 0.00000 0.00000 0.00000 179 4PY 0.00000 0.00001 0.00001 -0.00000 0.00000 180 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 181 10 H 1S 0.00000 0.00080 0.00010 -0.00000 0.00000 182 2S 0.00000 0.00329 0.00043 -0.00000 0.00000 183 3S 0.00000 0.00249 0.00054 -0.00000 0.00000 184 4PX -0.00002 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00006 0.00001 0.00000 -0.00000 186 4PZ 0.00000 0.00000 -0.00000 -0.00000 -0.00000 187 11 H 1S -0.00000 -0.00019 -0.00015 0.00000 0.00000 188 2S -0.00000 -0.00074 -0.00052 0.00000 0.00000 189 3S 0.00000 0.00027 -0.00122 0.00000 0.00000 190 4PX -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 191 4PY -0.00000 -0.00002 -0.00001 0.00000 0.00000 192 4PZ -0.00000 -0.00002 -0.00000 -0.00000 0.00000 101 102 103 104 105 101 6D-1 0.00062 102 6D+2 -0.00000 0.00032 103 6D-2 0.00000 0.00000 0.00013 104 7D 0 -0.00000 0.00000 0.00000 0.00087 105 7D+1 0.00000 0.00000 -0.00000 0.00000 0.00141 106 7D-1 0.00025 -0.00000 0.00000 -0.00000 0.00000 107 7D+2 -0.00000 0.00004 -0.00000 0.00000 0.00000 108 7D-2 0.00000 -0.00000 0.00013 0.00000 -0.00000 109 5 C 1S -0.00000 0.00000 0.00000 -0.00111 0.00000 110 2S -0.00000 0.00000 0.00000 -0.00145 0.00000 111 2PX 0.00000 0.00000 0.00000 0.00000 0.00146 112 2PY 0.00008 0.00000 0.00000 0.00001 0.00000 113 2PZ 0.00001 -0.00000 -0.00000 0.00039 0.00000 114 3S 0.00001 -0.00000 -0.00000 0.00446 0.00000 115 3PX 0.00000 0.00000 0.00000 0.00000 0.00550 116 3PY 0.00048 0.00000 0.00000 0.00001 0.00000 117 3PZ 0.00002 -0.00000 -0.00000 0.00052 0.00000 118 4S -0.00000 -0.00000 -0.00000 0.00101 0.00000 119 4PX 0.00000 0.00000 0.00000 0.00000 0.00380 120 4PY 0.00019 0.00000 -0.00000 0.00001 0.00000 121 4PZ 0.00000 -0.00000 -0.00000 -0.00019 -0.00000 122 5S -0.00000 0.00000 -0.00000 0.00018 0.00000 123 5PX 0.00000 0.00000 -0.00000 0.00000 0.00020 124 5PY -0.00000 0.00000 -0.00000 0.00000 0.00000 125 5PZ -0.00000 -0.00000 -0.00000 -0.00012 -0.00000 126 6D 0 -0.00000 -0.00000 -0.00000 0.00000 -0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 -0.00003 128 6D-1 -0.00005 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 0.00000 -0.00000 0.00000 -0.00000 130 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 131 7D 0 -0.00000 0.00000 0.00000 0.00002 -0.00000 132 7D+1 -0.00000 0.00000 0.00000 0.00000 -0.00018 133 7D-1 -0.00016 0.00000 -0.00000 -0.00000 -0.00000 134 7D+2 -0.00000 0.00001 0.00000 0.00000 -0.00000 135 7D-2 -0.00000 -0.00000 -0.00001 0.00000 -0.00002 136 6 N 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 137 2S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 138 2PX 0.00000 -0.00000 -0.00000 0.00000 0.00004 139 2PY 0.00000 0.00000 0.00000 -0.00001 0.00000 140 2PZ 0.00000 0.00000 0.00000 0.00004 0.00000 141 3S 0.00000 -0.00000 0.00000 0.00000 0.00000 142 3PX 0.00000 -0.00000 -0.00000 0.00000 0.00038 143 3PY 0.00000 0.00000 0.00000 -0.00005 0.00000 144 3PZ 0.00001 0.00000 0.00000 0.00028 0.00000 145 4S -0.00001 -0.00000 -0.00000 -0.00020 0.00000 146 4PX 0.00000 -0.00000 -0.00001 0.00000 0.00138 147 4PY 0.00002 -0.00000 0.00000 -0.00007 0.00000 148 4PZ 0.00008 0.00001 0.00000 0.00030 0.00000 149 5S -0.00001 -0.00000 -0.00000 -0.00006 0.00000 150 5PX -0.00000 0.00000 -0.00000 -0.00000 0.00008 151 5PY -0.00000 0.00000 -0.00000 -0.00001 0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00001 -0.00000 153 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 0.00000 0.00000 155 6D-1 0.00000 -0.00000 -0.00000 -0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 157 6D-2 -0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00001 -0.00000 -0.00000 0.00000 0.00000 159 7D+1 0.00000 -0.00000 -0.00000 0.00000 0.00011 160 7D-1 0.00001 -0.00000 -0.00000 -0.00000 0.00000 161 7D+2 -0.00000 0.00000 0.00000 -0.00000 0.00000 162 7D-2 -0.00000 0.00000 0.00000 -0.00000 0.00005 163 7 H 1S 0.00000 0.00000 0.00000 0.00009 0.00000 164 2S 0.00006 0.00000 0.00000 0.00031 0.00000 165 3S 0.00003 0.00000 0.00000 -0.00000 0.00000 166 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00004 167 4PY 0.00000 -0.00000 -0.00000 0.00002 0.00000 168 4PZ 0.00000 -0.00000 -0.00000 0.00003 0.00000 169 8 H 1S 0.00061 0.00038 0.00000 0.00007 0.00000 170 2S 0.00058 0.00034 0.00000 0.00011 0.00000 171 3S 0.00004 0.00001 0.00000 0.00002 0.00000 172 4PX 0.00000 0.00000 -0.00004 -0.00000 -0.00003 173 4PY 0.00007 0.00005 0.00000 -0.00001 -0.00000 174 4PZ -0.00001 0.00002 -0.00000 -0.00002 -0.00000 175 9 H 1S 0.00000 -0.00000 -0.00000 0.00024 0.00000 176 2S 0.00002 -0.00002 -0.00000 0.00095 0.00000 177 3S -0.00001 -0.00001 -0.00000 0.00029 0.00000 178 4PX -0.00000 0.00000 0.00000 0.00000 0.00003 179 4PY 0.00000 0.00000 0.00000 0.00001 0.00000 180 4PZ 0.00000 -0.00000 -0.00000 0.00004 0.00000 181 10 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 2S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 183 3S 0.00000 0.00000 0.00000 -0.00002 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 186 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 0.00000 189 3S 0.00000 0.00000 0.00000 0.00000 0.00000 190 4PX 0.00000 -0.00000 -0.00000 0.00000 -0.00000 191 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 192 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 106 107 108 109 110 106 7D-1 0.00128 107 7D+2 -0.00000 0.00032 108 7D-2 -0.00000 -0.00000 0.00068 109 5 C 1S 0.00002 0.00000 0.00000 0.65869 110 2S 0.00002 0.00000 0.00000 0.49211 0.48942 111 2PX 0.00000 0.00000 -0.00001 0.00000 0.00000 112 2PY 0.00151 -0.00001 -0.00000 0.00000 0.00000 113 2PZ 0.00002 -0.00000 -0.00000 0.00000 0.00000 114 3S -0.00002 0.00000 -0.00000 -0.02643 -0.06006 115 3PX 0.00000 0.00000 -0.00003 0.00000 0.00000 116 3PY 0.00500 -0.00002 -0.00000 0.00000 0.00000 117 3PZ 0.00003 -0.00000 -0.00000 0.00000 0.00000 118 4S -0.00005 0.00000 -0.00000 -0.00593 -0.01233 119 4PX 0.00000 -0.00000 -0.00003 0.00000 0.00000 120 4PY 0.00202 -0.00002 -0.00000 0.00000 0.00000 121 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 122 5S -0.00000 -0.00000 -0.00000 -0.00374 -0.00550 123 5PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 124 5PY 0.00006 -0.00000 -0.00000 0.00000 0.00000 125 5PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 126 6D 0 0.00000 -0.00000 0.00000 0.00000 0.00000 127 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 -0.00016 0.00000 0.00000 -0.00000 -0.00000 129 6D+2 -0.00000 0.00000 -0.00000 -0.00000 -0.00000 130 6D-2 0.00000 0.00000 -0.00001 -0.00000 -0.00000 131 7D 0 0.00001 -0.00000 0.00000 -0.00000 -0.00000 132 7D+1 -0.00000 0.00000 0.00002 -0.00000 -0.00000 133 7D-1 -0.00043 0.00001 0.00000 0.00000 -0.00000 134 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 135 7D-2 0.00000 -0.00000 -0.00008 -0.00000 -0.00000 136 6 N 1S -0.00001 -0.00000 0.00000 0.00000 0.00000 137 2S -0.00002 -0.00000 0.00000 0.00000 -0.00000 138 2PX 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 139 2PY 0.00006 0.00000 0.00000 -0.00002 -0.00001 140 2PZ 0.00000 -0.00000 -0.00000 -0.00001 -0.00000 141 3S 0.00024 -0.00001 -0.00000 -0.00014 -0.00022 142 3PX 0.00000 -0.00000 -0.00006 -0.00000 -0.00000 143 3PY 0.00037 0.00000 0.00000 -0.00087 -0.00145 144 3PZ 0.00001 -0.00002 -0.00000 -0.00037 -0.00063 145 4S 0.00053 0.00000 0.00000 -0.00108 -0.00111 146 4PX 0.00000 -0.00000 -0.00022 -0.00000 -0.00000 147 4PY 0.00019 -0.00000 0.00000 -0.00210 -0.00334 148 4PZ -0.00011 -0.00002 -0.00000 -0.00124 -0.00210 149 5S 0.00008 -0.00001 0.00000 0.00090 0.00142 150 5PX 0.00000 0.00000 -0.00008 0.00000 0.00000 151 5PY -0.00001 0.00000 0.00000 0.00039 0.00042 152 5PZ -0.00002 -0.00000 -0.00000 0.00015 0.00016 153 6D 0 0.00000 -0.00000 -0.00000 0.00000 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 155 6D-1 0.00001 -0.00000 0.00000 -0.00001 -0.00000 156 6D+2 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 157 6D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 158 7D 0 0.00004 -0.00001 -0.00000 0.00000 0.00002 159 7D+1 0.00000 -0.00000 -0.00001 -0.00000 -0.00000 160 7D-1 0.00009 0.00000 -0.00000 -0.00056 -0.00083 161 7D+2 0.00000 0.00000 -0.00000 -0.00031 -0.00041 162 7D-2 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 163 7 H 1S 0.00037 0.00002 0.00000 -0.00026 -0.00036 164 2S 0.00143 0.00005 0.00000 -0.00245 -0.00437 165 3S 0.00046 0.00002 0.00000 0.00004 0.00001 166 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 167 4PY 0.00001 -0.00000 0.00000 -0.00040 -0.00063 168 4PZ 0.00008 0.00000 -0.00000 -0.00017 -0.00028 169 8 H 1S 0.00014 -0.00028 -0.00000 0.00000 0.00000 170 2S 0.00028 -0.00036 0.00000 0.00001 0.00002 171 3S 0.00016 0.00001 0.00000 0.00006 0.00011 172 4PX 0.00000 -0.00000 -0.00011 0.00000 0.00000 173 4PY -0.00002 0.00002 0.00000 0.00000 0.00000 174 4PZ -0.00003 -0.00002 -0.00000 -0.00000 -0.00000 175 9 H 1S 0.00015 -0.00003 -0.00000 -0.00000 0.00000 176 2S 0.00057 -0.00012 -0.00000 -0.00000 -0.00000 177 3S 0.00004 -0.00006 -0.00000 -0.00001 -0.00001 178 4PX 0.00000 0.00000 0.00002 0.00000 0.00000 179 4PY 0.00002 -0.00000 -0.00000 -0.00000 0.00000 180 4PZ 0.00006 -0.00000 -0.00000 -0.00000 0.00000 181 10 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 182 2S 0.00000 -0.00002 -0.00000 -0.00000 -0.00000 183 3S 0.00002 -0.00005 -0.00000 -0.00000 -0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00000 -0.00000 0.00000 -0.00000 0.00000 186 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 11 H 1S 0.00000 -0.00000 0.00000 -0.00000 0.00000 188 2S 0.00000 -0.00000 0.00000 -0.00000 -0.00000 189 3S 0.00004 0.00001 0.00000 0.00000 -0.00001 190 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 191 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 4PZ 0.00000 -0.00000 -0.00000 -0.00000 0.00000 111 112 113 114 115 111 2PX 0.06623 112 2PY 0.00000 0.08919 113 2PZ 0.00000 -0.00000 0.09237 114 3S 0.00000 0.00000 0.00000 0.44487 115 3PX 0.06371 0.00000 0.00000 0.00000 0.15487 116 3PY 0.00000 0.07669 -0.00000 0.00000 0.00000 117 3PZ 0.00000 -0.00000 0.08142 0.00000 0.00000 118 4S 0.00000 0.00000 0.00000 0.15261 0.00000 119 4PX 0.01718 0.00000 0.00000 0.00000 0.07795 120 4PY 0.00000 0.01168 -0.00000 0.00000 0.00000 121 4PZ 0.00000 -0.00000 0.01173 0.00000 0.00000 122 5S 0.00000 0.00000 0.00000 0.05526 0.00000 123 5PX 0.00087 0.00000 -0.00000 0.00000 0.00523 124 5PY 0.00000 0.00046 0.00000 0.00000 0.00000 125 5PZ 0.00000 -0.00000 0.00075 0.00000 0.00000 126 6D 0 0.00000 0.00000 0.00000 -0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 128 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 -0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.00000 -0.00002 -0.00001 -0.00022 -0.00000 137 2S -0.00000 -0.00002 -0.00001 -0.00035 -0.00000 138 2PX 0.00013 0.00000 0.00000 0.00000 0.00269 139 2PY 0.00000 0.00102 0.00044 0.00440 0.00000 140 2PZ 0.00000 0.00052 0.00009 0.00203 0.00000 141 3S 0.00000 0.00410 0.00145 0.00740 0.00000 142 3PX 0.00265 0.00000 0.00000 0.00000 0.01705 143 3PY 0.00000 0.00982 0.00477 0.02645 0.00000 144 3PZ 0.00000 0.00578 0.00060 0.01237 0.00000 145 4S 0.00000 0.00257 0.00038 -0.00162 0.00000 146 4PX 0.00570 0.00000 0.00000 0.00000 0.02819 147 4PY 0.00000 0.00288 0.00210 0.02725 0.00000 148 4PZ 0.00000 0.00398 -0.00089 0.01966 0.00000 149 5S -0.00000 -0.00051 -0.00041 -0.01650 -0.00000 150 5PX -0.00012 -0.00000 -0.00000 -0.00000 -0.00076 151 5PY -0.00000 -0.00001 -0.00015 -0.00088 -0.00000 152 5PZ -0.00000 0.00000 -0.00057 -0.00029 0.00000 153 6D 0 0.00000 0.00000 0.00001 -0.00001 0.00000 154 6D+1 0.00001 0.00000 0.00000 0.00000 0.00011 155 6D-1 0.00000 0.00024 0.00003 0.00041 0.00000 156 6D+2 0.00000 0.00004 0.00006 0.00015 0.00000 157 6D-2 0.00002 0.00000 0.00000 0.00000 0.00017 158 7D 0 0.00000 0.00028 0.00031 -0.00017 0.00000 159 7D+1 0.00065 0.00000 0.00000 0.00000 0.00231 160 7D-1 0.00000 0.00164 0.00002 0.00378 0.00000 161 7D+2 0.00000 -0.00015 0.00040 0.00115 0.00000 162 7D-2 0.00100 -0.00000 0.00000 0.00000 0.00361 163 7 H 1S 0.00000 0.00577 0.00250 0.01690 0.00000 164 2S 0.00000 0.01383 0.00613 0.05222 0.00000 165 3S 0.00000 0.00177 0.00104 0.00060 0.00000 166 4PX 0.00049 0.00000 0.00000 0.00000 0.00217 167 4PY 0.00000 0.00118 0.00105 0.00497 0.00000 168 4PZ 0.00000 0.00110 0.00001 0.00228 0.00000 169 8 H 1S -0.00000 -0.00000 -0.00000 -0.00006 -0.00000 170 2S -0.00000 -0.00006 -0.00023 -0.00141 -0.00000 171 3S -0.00000 -0.00027 -0.00066 -0.00170 -0.00000 172 4PX 0.00000 -0.00000 -0.00000 -0.00000 0.00004 173 4PY -0.00000 -0.00000 -0.00000 -0.00003 -0.00000 174 4PZ 0.00000 -0.00000 0.00001 0.00003 0.00000 175 9 H 1S -0.00000 -0.00000 0.00000 0.00000 -0.00000 176 2S -0.00000 -0.00000 0.00000 0.00000 -0.00000 177 3S -0.00000 -0.00000 0.00009 0.00027 -0.00000 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4PZ -0.00000 -0.00000 0.00000 -0.00000 -0.00000 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 182 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 183 3S -0.00000 -0.00000 -0.00000 0.00003 0.00000 184 4PX -0.00000 0.00000 -0.00000 0.00000 -0.00000 185 4PY 0.00000 0.00000 -0.00000 0.00000 0.00000 186 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 0.00001 0.00000 189 3S 0.00000 0.00013 0.00001 0.00055 0.00000 190 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 191 4PY 0.00000 0.00000 0.00000 -0.00000 0.00000 192 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 120 116 3PY 0.16711 117 3PZ -0.00000 0.18155 118 4S 0.00000 0.00000 0.11540 119 4PX 0.00000 0.00000 0.00000 0.09333 120 4PY 0.04737 -0.00000 0.00000 0.00000 0.03792 121 4PZ 0.00000 0.04896 0.00000 0.00000 -0.00000 122 5S 0.00000 0.00000 0.05810 0.00000 0.00000 123 5PX 0.00000 -0.00000 0.00000 0.01140 0.00000 124 5PY 0.00233 0.00000 0.00000 0.00000 0.00325 125 5PZ -0.00000 0.00404 0.00000 0.00000 -0.00000 126 6D 0 0.00000 0.00000 -0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 0.00000 -0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.00085 -0.00031 0.00208 0.00000 0.00102 137 2S -0.00147 -0.00053 0.00270 0.00000 0.00104 138 2PX 0.00000 0.00000 0.00000 0.00310 0.00000 139 2PY 0.00746 0.00398 0.00149 0.00000 0.00049 140 2PZ 0.00516 0.00039 0.00114 0.00000 0.00119 141 3S 0.02258 0.00807 -0.02456 -0.00000 -0.00146 142 3PX 0.00000 0.00000 0.00000 0.01777 -0.00000 143 3PY 0.02749 0.01706 0.00808 -0.00000 0.00114 144 3PZ 0.02271 -0.00016 0.00612 0.00000 0.00578 145 4S 0.00872 0.00083 -0.05552 -0.00000 -0.01057 146 4PX 0.00000 0.00000 0.00000 0.03509 -0.00000 147 4PY 0.00628 0.00768 0.00932 -0.00000 -0.00313 148 4PZ 0.01637 -0.00597 0.01351 0.00000 0.00730 149 5S -0.00321 -0.00230 -0.02073 -0.00000 -0.00294 150 5PX -0.00000 -0.00000 -0.00000 -0.00087 -0.00000 151 5PY -0.00006 -0.00073 -0.00118 -0.00000 -0.00040 152 5PZ 0.00009 -0.00317 0.00157 0.00000 0.00019 153 6D 0 0.00004 0.00008 -0.00000 0.00000 0.00002 154 6D+1 0.00000 0.00000 -0.00000 0.00004 -0.00000 155 6D-1 0.00066 0.00004 0.00004 0.00000 0.00002 156 6D+2 0.00009 0.00019 0.00001 0.00000 -0.00000 157 6D-2 -0.00000 0.00000 0.00000 0.00008 -0.00000 158 7D 0 0.00119 0.00084 -0.00004 0.00000 0.00048 159 7D+1 0.00000 -0.00000 0.00000 0.00112 -0.00000 160 7D-1 0.00271 -0.00004 0.00049 -0.00000 0.00002 161 7D+2 -0.00007 0.00083 0.00014 0.00000 0.00024 162 7D-2 -0.00000 0.00000 -0.00000 0.00215 -0.00000 163 7 H 1S 0.02736 0.01221 0.01774 0.00000 0.01461 164 2S 0.05087 0.02330 0.05502 0.00000 0.03567 165 3S 0.00799 0.00508 0.01455 0.00000 0.00834 166 4PX 0.00000 0.00000 0.00000 0.00173 -0.00000 167 4PY 0.00168 0.00240 0.00172 -0.00000 -0.00038 168 4PZ 0.00246 -0.00003 0.00082 0.00000 0.00055 169 8 H 1S -0.00003 -0.00016 -0.00033 -0.00000 -0.00075 170 2S -0.00058 -0.00243 -0.00166 -0.00000 -0.00308 171 3S -0.00151 -0.00383 -0.00132 -0.00000 -0.00250 172 4PX -0.00000 -0.00000 -0.00000 0.00029 0.00000 173 4PY -0.00000 -0.00005 -0.00004 0.00000 0.00001 174 4PZ 0.00000 0.00016 0.00004 0.00000 -0.00007 175 9 H 1S -0.00000 0.00000 0.00002 0.00000 0.00000 176 2S -0.00000 0.00002 0.00016 0.00000 0.00001 177 3S -0.00001 0.00068 0.00054 0.00000 0.00008 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00001 182 2S 0.00000 -0.00000 0.00005 0.00000 0.00005 183 3S 0.00002 -0.00001 0.00013 -0.00000 -0.00005 184 4PX 0.00000 0.00000 0.00000 -0.00000 0.00000 185 4PY 0.00000 -0.00000 0.00000 0.00000 0.00000 186 4PZ -0.00000 0.00000 0.00000 0.00000 -0.00000 187 11 H 1S 0.00000 0.00000 0.00005 0.00000 0.00015 188 2S 0.00005 0.00001 0.00040 0.00000 0.00110 189 3S 0.00096 0.00010 0.00160 0.00000 0.00264 190 4PX 0.00000 0.00000 0.00000 -0.00001 0.00000 191 4PY 0.00000 0.00000 0.00001 0.00000 0.00002 192 4PZ 0.00000 -0.00000 0.00000 0.00000 0.00001 121 122 123 124 125 121 4PZ 0.03327 122 5S 0.00000 0.16076 123 5PX 0.00000 0.00000 0.00382 124 5PY 0.00000 0.00000 0.00000 0.00356 125 5PZ 0.00282 0.00000 -0.00000 0.00000 0.01119 126 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 127 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 128 6D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 129 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 130 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 131 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 132 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 133 7D-1 0.00000 -0.00000 0.00000 0.00000 0.00000 134 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 136 6 N 1S -0.00044 0.00122 0.00000 0.00001 -0.00019 137 2S -0.00058 0.00202 -0.00000 -0.00005 -0.00033 138 2PX 0.00000 0.00000 0.00042 -0.00000 0.00000 139 2PY 0.00070 0.00029 -0.00000 -0.00014 0.00002 140 2PZ -0.00074 0.00078 -0.00000 -0.00004 0.00062 141 3S 0.00435 -0.03006 0.00000 0.00211 0.00467 142 3PX 0.00000 0.00000 0.00274 -0.00000 0.00000 143 3PY 0.00334 0.00180 -0.00000 -0.00092 0.00010 144 3PZ -0.00450 0.00480 -0.00000 -0.00025 0.00389 145 4S -0.00209 -0.08461 0.00000 0.00495 0.01062 146 4PX 0.00000 0.00000 0.00768 -0.00000 0.00000 147 4PY 0.00231 0.00313 -0.00000 -0.00188 0.00015 148 4PZ -0.01127 0.01375 -0.00000 -0.00065 0.01126 149 5S -0.00415 -0.05461 0.00000 0.00161 0.00416 150 5PX -0.00000 -0.00000 -0.00016 0.00000 -0.00000 151 5PY -0.00060 -0.00115 0.00000 0.00058 -0.00005 152 5PZ -0.00387 0.00060 -0.00000 -0.00009 -0.00009 153 6D 0 0.00001 -0.00000 0.00000 -0.00000 0.00000 154 6D+1 -0.00000 -0.00000 0.00000 -0.00000 -0.00000 155 6D-1 -0.00001 0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 0.00002 0.00000 -0.00000 0.00000 -0.00000 157 6D-2 0.00000 -0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00002 -0.00002 0.00000 -0.00002 0.00013 159 7D+1 -0.00000 -0.00000 0.00007 -0.00000 -0.00000 160 7D-1 0.00007 0.00003 -0.00000 -0.00001 -0.00000 161 7D+2 0.00012 -0.00001 0.00000 -0.00000 0.00000 162 7D-2 0.00000 -0.00000 0.00006 0.00000 0.00000 163 7 H 1S 0.00538 0.00331 0.00000 0.00090 -0.00000 164 2S 0.01343 0.01081 0.00000 0.00311 0.00010 165 3S 0.00519 0.01060 0.00000 0.00128 -0.00037 166 4PX 0.00000 0.00000 0.00014 -0.00000 0.00000 167 4PY 0.00044 0.00010 -0.00000 -0.00007 0.00000 168 4PZ -0.00005 0.00006 -0.00000 0.00002 0.00005 169 8 H 1S -0.00112 -0.00100 -0.00000 -0.00036 -0.00074 170 2S -0.00490 -0.00363 -0.00000 -0.00126 -0.00259 171 3S -0.00515 -0.00260 -0.00000 -0.00057 -0.00151 172 4PX 0.00000 0.00000 0.00004 0.00000 -0.00000 173 4PY -0.00010 0.00000 0.00000 0.00004 -0.00002 174 4PZ 0.00019 -0.00004 0.00000 -0.00000 -0.00000 175 9 H 1S 0.00009 -0.00012 0.00000 0.00000 0.00012 176 2S 0.00075 -0.00097 0.00000 0.00001 0.00026 177 3S 0.00189 0.00037 -0.00000 -0.00014 0.00110 178 4PX -0.00000 0.00000 -0.00001 -0.00000 0.00000 179 4PY -0.00000 0.00002 -0.00000 -0.00000 0.00000 180 4PZ 0.00002 -0.00004 0.00000 0.00000 -0.00001 181 10 H 1S 0.00001 0.00010 -0.00000 -0.00022 0.00008 182 2S 0.00003 0.00062 -0.00000 -0.00097 0.00037 183 3S -0.00002 0.00202 -0.00000 -0.00092 0.00060 184 4PX 0.00000 -0.00000 -0.00001 -0.00000 0.00000 185 4PY 0.00000 -0.00001 -0.00000 -0.00002 0.00000 186 4PZ 0.00000 0.00001 0.00000 0.00000 0.00000 187 11 H 1S 0.00001 0.00053 0.00000 0.00031 -0.00000 188 2S 0.00009 0.00179 0.00000 0.00121 0.00003 189 3S 0.00022 0.00345 0.00000 0.00018 -0.00012 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00001 0.00002 0.00000 0.00002 0.00000 192 4PZ -0.00000 0.00001 0.00000 0.00001 0.00000 126 127 128 129 130 126 6D 0 0.00081 127 6D+1 -0.00000 0.00022 128 6D-1 0.00000 0.00000 0.00088 129 6D+2 0.00000 0.00000 0.00000 0.00048 130 6D-2 0.00000 0.00000 -0.00000 0.00000 0.00021 131 7D 0 0.00043 0.00000 0.00000 0.00000 0.00000 132 7D+1 -0.00000 0.00029 0.00000 -0.00000 0.00000 133 7D-1 0.00000 0.00000 0.00059 0.00000 0.00000 134 7D+2 0.00000 -0.00000 0.00000 0.00018 0.00000 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00018 136 6 N 1S 0.00000 -0.00000 -0.00002 -0.00001 -0.00000 137 2S 0.00000 -0.00000 -0.00003 -0.00001 -0.00000 138 2PX 0.00000 0.00002 0.00000 0.00000 0.00007 139 2PY 0.00000 0.00000 0.00036 0.00010 0.00000 140 2PZ 0.00011 0.00000 -0.00002 0.00020 0.00000 141 3S -0.00001 0.00000 0.00117 0.00040 0.00000 142 3PX 0.00000 0.00020 0.00000 0.00000 0.00059 143 3PY 0.00001 0.00000 0.00146 0.00033 0.00000 144 3PZ 0.00077 0.00000 -0.00003 0.00093 0.00000 145 4S -0.00004 0.00000 0.00052 -0.00001 -0.00000 146 4PX 0.00000 0.00016 0.00000 0.00000 0.00047 147 4PY 0.00002 -0.00000 0.00016 -0.00003 0.00000 148 4PZ 0.00054 0.00000 0.00005 0.00028 0.00000 149 5S -0.00000 -0.00000 0.00001 -0.00002 -0.00000 150 5PX 0.00000 0.00001 0.00000 0.00000 0.00000 151 5PY 0.00000 0.00000 0.00000 0.00000 -0.00000 152 5PZ 0.00002 0.00000 0.00001 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00001 155 6D-1 -0.00000 0.00000 0.00004 0.00001 0.00000 156 6D+2 -0.00000 0.00000 0.00001 0.00001 0.00000 157 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00005 0.00000 -0.00000 0.00005 0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00009 160 7D-1 -0.00004 0.00000 0.00002 0.00002 -0.00000 161 7D+2 -0.00000 -0.00000 -0.00000 0.00000 0.00000 162 7D-2 0.00000 -0.00005 0.00000 -0.00000 0.00000 163 7 H 1S 0.00002 0.00000 0.00083 0.00033 0.00000 164 2S 0.00002 0.00000 0.00077 0.00029 0.00000 165 3S 0.00000 0.00000 0.00006 0.00001 0.00000 166 4PX -0.00000 -0.00001 -0.00000 0.00000 -0.00003 167 4PY -0.00001 0.00000 0.00009 0.00003 0.00000 168 4PZ -0.00002 0.00000 0.00001 0.00002 0.00000 169 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 170 2S -0.00003 0.00000 0.00007 0.00000 0.00000 171 3S -0.00003 0.00000 0.00004 0.00001 0.00000 172 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 173 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 174 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00000 175 9 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 2S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 177 3S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 178 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 180 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 182 2S 0.00000 0.00000 0.00000 0.00000 0.00000 183 3S 0.00000 0.00000 0.00000 0.00000 0.00000 184 4PX -0.00000 -0.00000 0.00000 0.00000 -0.00000 185 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 186 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 0.00000 0.00000 0.00000 189 3S 0.00000 0.00000 0.00000 0.00001 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 -0.00000 -0.00000 0.00000 0.00000 192 4PZ -0.00000 0.00000 0.00000 -0.00000 -0.00000 131 132 133 134 135 131 7D 0 0.00187 132 7D+1 0.00000 0.00176 133 7D-1 0.00000 0.00000 0.00281 134 7D+2 0.00000 -0.00000 -0.00000 0.00086 135 7D-2 0.00000 0.00000 0.00000 0.00000 0.00079 136 6 N 1S -0.00000 -0.00000 -0.00072 0.00004 0.00000 137 2S 0.00000 -0.00000 -0.00104 0.00001 0.00000 138 2PX 0.00000 0.00050 0.00000 0.00000 0.00094 139 2PY 0.00022 0.00000 0.00105 -0.00006 -0.00000 140 2PZ 0.00137 0.00000 0.00005 0.00086 0.00000 141 3S -0.00010 0.00000 0.00645 0.00050 0.00000 142 3PX 0.00000 0.00220 0.00000 0.00000 0.00417 143 3PY 0.00105 0.00000 0.00283 0.00000 -0.00000 144 3PZ 0.00562 0.00000 0.00095 0.00287 0.00000 145 4S -0.00035 0.00000 0.00435 -0.00106 -0.00000 146 4PX 0.00000 0.00217 0.00000 0.00000 0.00402 147 4PY 0.00078 -0.00000 0.00024 0.00027 -0.00000 148 4PZ 0.00509 0.00000 0.00224 0.00150 0.00000 149 5S -0.00005 -0.00000 0.00029 -0.00022 -0.00000 150 5PX 0.00000 0.00012 0.00000 0.00000 0.00004 151 5PY -0.00001 0.00000 0.00001 0.00001 -0.00000 152 5PZ 0.00021 0.00000 0.00009 0.00002 0.00000 153 6D 0 0.00002 -0.00000 0.00001 0.00002 0.00000 154 6D+1 0.00000 -0.00000 -0.00000 0.00000 0.00002 155 6D-1 -0.00003 0.00000 -0.00000 -0.00000 -0.00000 156 6D+2 -0.00003 0.00000 -0.00000 0.00000 -0.00000 157 6D-2 -0.00000 -0.00002 0.00000 -0.00000 -0.00001 158 7D 0 0.00015 0.00000 0.00017 0.00025 0.00000 159 7D+1 0.00000 -0.00008 -0.00000 0.00000 0.00034 160 7D-1 -0.00016 -0.00000 -0.00009 0.00002 -0.00000 161 7D+2 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 162 7D-2 0.00000 -0.00025 0.00000 -0.00000 -0.00006 163 7 H 1S 0.00010 0.00000 0.00145 0.00008 0.00000 164 2S 0.00014 0.00000 0.00190 0.00011 0.00000 165 3S 0.00003 0.00000 0.00046 0.00012 0.00000 166 4PX -0.00000 -0.00006 -0.00000 -0.00000 -0.00007 167 4PY -0.00006 0.00000 0.00001 0.00001 -0.00000 168 4PZ 0.00002 -0.00000 -0.00005 -0.00003 -0.00000 169 8 H 1S 0.00001 0.00000 0.00041 0.00005 0.00000 170 2S -0.00009 0.00000 0.00158 0.00020 0.00000 171 3S -0.00019 0.00000 0.00046 0.00007 0.00000 172 4PX 0.00000 0.00005 0.00000 0.00000 0.00001 173 4PY 0.00001 0.00000 0.00002 -0.00000 0.00000 174 4PZ 0.00003 0.00000 0.00010 0.00000 -0.00000 175 9 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 2S 0.00001 -0.00000 -0.00002 -0.00000 -0.00000 177 3S 0.00004 -0.00000 -0.00006 -0.00001 -0.00000 178 4PX -0.00000 0.00000 -0.00000 -0.00000 -0.00000 179 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 180 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 10 H 1S 0.00000 0.00000 0.00000 -0.00000 0.00000 182 2S 0.00000 0.00000 0.00000 0.00000 0.00000 183 3S 0.00001 0.00000 0.00007 0.00002 0.00000 184 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 186 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 187 11 H 1S 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00001 -0.00000 -0.00000 -0.00002 0.00000 189 3S 0.00005 0.00000 0.00000 0.00002 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 -0.00000 -0.00000 -0.00000 0.00000 192 4PZ -0.00000 0.00000 -0.00000 -0.00000 -0.00000 136 137 138 139 140 136 6 N 1S 0.65039 137 2S 0.50431 0.50671 138 2PX 0.00000 0.00000 0.08635 139 2PY 0.00000 0.00000 0.00000 0.09984 140 2PZ 0.00000 0.00000 0.00000 0.00000 0.13863 141 3S -0.03710 -0.07632 0.00000 0.00000 0.00000 142 3PX 0.00000 0.00000 0.08131 0.00000 0.00000 143 3PY 0.00000 0.00000 0.00000 0.08967 0.00000 144 3PZ 0.00000 0.00000 0.00000 0.00000 0.12508 145 4S -0.02213 -0.03595 0.00000 0.00000 0.00000 146 4PX 0.00000 0.00000 0.02273 0.00000 0.00000 147 4PY 0.00000 0.00000 0.00000 0.01616 0.00000 148 4PZ 0.00000 0.00000 0.00000 0.00000 0.03444 149 5S -0.00114 -0.00157 0.00000 0.00000 0.00000 150 5PX 0.00000 0.00000 0.00009 -0.00000 0.00000 151 5PY 0.00000 0.00000 -0.00000 -0.00031 0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00000 0.00088 153 6D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00000 156 6D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 157 6D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 158 7D 0 -0.00000 -0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00000 0.00000 0.00000 0.00000 0.00000 161 7D+2 -0.00000 -0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 -0.00000 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 164 2S 0.00002 0.00003 -0.00000 -0.00021 0.00001 165 3S 0.00026 0.00039 -0.00000 -0.00058 0.00003 166 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 167 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 169 8 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 170 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 171 3S -0.00001 -0.00001 0.00000 0.00004 0.00006 172 4PX -0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 174 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 175 9 H 1S -0.00000 0.00000 -0.00000 -0.00000 -0.00000 176 2S 0.00000 0.00000 -0.00000 -0.00000 -0.00000 177 3S 0.00000 0.00000 -0.00000 -0.00000 -0.00001 178 4PX 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4PZ 0.00000 -0.00000 -0.00000 -0.00000 -0.00000 181 10 H 1S -0.00000 0.00000 0.00000 0.00000 0.00000 182 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 183 3S -0.00001 -0.00001 0.00000 0.00004 0.00006 184 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 185 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 186 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 187 11 H 1S 0.00000 0.00000 -0.00000 -0.00000 0.00000 188 2S 0.00002 0.00003 -0.00000 -0.00021 0.00001 189 3S 0.00026 0.00039 -0.00000 -0.00058 0.00003 190 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 191 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 192 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 141 142 143 144 145 141 3S 0.56359 142 3PX 0.00000 0.19920 143 3PY 0.00000 0.00000 0.20956 144 3PZ 0.00000 0.00000 0.00000 0.29369 145 4S 0.37371 0.00000 0.00000 0.00000 0.49813 146 4PX 0.00000 0.10574 0.00000 0.00000 0.00000 147 4PY 0.00000 0.00000 0.07179 0.00000 0.00000 148 4PZ 0.00000 0.00000 0.00000 0.15330 0.00000 149 5S 0.01606 0.00000 0.00000 0.00000 0.07310 150 5PX 0.00000 0.00056 -0.00000 0.00000 0.00000 151 5PY 0.00000 -0.00000 -0.00179 0.00000 0.00000 152 5PZ 0.00000 0.00000 0.00000 0.00515 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 0.00000 -0.00000 156 6D+2 0.00000 0.00000 0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 159 7D+1 -0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 -0.00000 0.00000 0.00000 0.00000 -0.00000 161 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00003 -0.00000 -0.00009 0.00000 -0.00141 164 2S -0.00143 -0.00000 -0.00198 0.00006 -0.00813 165 3S -0.00514 -0.00000 -0.00356 0.00020 -0.01615 166 4PX -0.00000 0.00002 0.00000 0.00000 -0.00000 167 4PY -0.00000 0.00000 0.00005 0.00000 -0.00016 168 4PZ 0.00000 0.00000 0.00001 -0.00000 0.00002 169 8 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 170 2S 0.00000 0.00000 0.00000 0.00001 -0.00008 171 3S 0.00012 0.00000 0.00027 0.00044 -0.00058 172 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 173 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 174 4PZ 0.00000 -0.00000 0.00000 -0.00000 0.00000 175 9 H 1S 0.00000 -0.00000 -0.00000 -0.00000 0.00000 176 2S -0.00000 -0.00000 -0.00000 -0.00000 0.00001 177 3S -0.00002 -0.00000 -0.00000 -0.00004 0.00002 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 0.00000 179 4PY -0.00000 -0.00000 -0.00000 -0.00000 0.00000 180 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 182 2S 0.00000 0.00000 0.00000 0.00001 -0.00008 183 3S 0.00012 0.00000 0.00027 0.00044 -0.00058 184 4PX 0.00000 -0.00000 0.00000 0.00000 -0.00000 185 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 186 4PZ 0.00000 0.00000 0.00000 -0.00000 0.00000 187 11 H 1S -0.00003 -0.00000 -0.00009 0.00000 -0.00141 188 2S -0.00143 -0.00000 -0.00198 0.00006 -0.00813 189 3S -0.00514 -0.00000 -0.00356 0.00020 -0.01615 190 4PX -0.00000 0.00002 0.00000 0.00000 -0.00000 191 4PY -0.00000 0.00000 0.00005 0.00000 -0.00016 192 4PZ 0.00000 0.00000 0.00001 -0.00000 0.00002 146 147 148 149 150 146 4PX 0.13605 147 4PY 0.00000 0.06042 148 4PZ 0.00000 0.00000 0.19666 149 5S 0.00000 0.00000 0.00000 0.05809 150 5PX 0.00161 -0.00000 0.00000 0.00000 0.00210 151 5PY -0.00000 -0.00233 0.00000 0.00000 0.00000 152 5PZ 0.00000 0.00000 0.01315 0.00000 0.00000 153 6D 0 0.00000 0.00000 0.00000 0.00000 0.00000 154 6D+1 0.00000 0.00000 0.00000 0.00000 0.00000 155 6D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 156 6D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 -0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00000 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00000 0.00000 160 7D-1 0.00000 0.00000 0.00000 -0.00000 0.00000 161 7D+2 0.00000 0.00000 0.00000 -0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00000 -0.00181 0.00009 -0.00188 -0.00000 164 2S -0.00000 -0.00734 0.00036 -0.00731 -0.00000 165 3S -0.00000 -0.00717 0.00060 -0.01076 -0.00000 166 4PX 0.00023 -0.00000 0.00000 -0.00000 -0.00001 167 4PY -0.00000 0.00002 0.00002 -0.00017 -0.00000 168 4PZ 0.00000 0.00002 -0.00002 0.00000 0.00000 169 8 H 1S 0.00000 0.00001 0.00002 -0.00011 -0.00000 170 2S 0.00000 0.00013 0.00036 -0.00084 -0.00000 171 3S 0.00000 0.00081 0.00195 -0.00228 -0.00000 172 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00001 173 4PY 0.00000 0.00000 0.00001 -0.00002 -0.00000 174 4PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 175 9 H 1S -0.00000 -0.00000 -0.00000 0.00009 -0.00000 176 2S -0.00000 -0.00000 -0.00004 0.00061 -0.00000 177 3S -0.00000 -0.00000 -0.00035 0.00131 -0.00000 178 4PX -0.00000 -0.00000 -0.00000 0.00000 -0.00001 179 4PY -0.00000 -0.00000 -0.00000 0.00000 -0.00000 180 4PZ -0.00000 -0.00000 -0.00000 0.00001 -0.00000 181 10 H 1S 0.00000 0.00001 0.00002 -0.00011 -0.00000 182 2S 0.00000 0.00013 0.00036 -0.00084 -0.00000 183 3S 0.00000 0.00081 0.00195 -0.00228 -0.00000 184 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00001 185 4PY 0.00000 0.00000 0.00001 -0.00002 0.00000 186 4PZ 0.00000 0.00000 -0.00001 0.00002 0.00000 187 11 H 1S -0.00000 -0.00181 0.00009 -0.00188 -0.00000 188 2S -0.00000 -0.00734 0.00036 -0.00731 -0.00000 189 3S -0.00000 -0.00717 0.00060 -0.01076 -0.00000 190 4PX 0.00023 -0.00000 0.00000 -0.00000 -0.00001 191 4PY -0.00000 0.00002 0.00002 -0.00017 -0.00000 192 4PZ 0.00000 0.00002 -0.00002 0.00000 0.00000 151 152 153 154 155 151 5PY 0.00138 152 5PZ 0.00000 0.00478 153 6D 0 0.00000 0.00000 0.00015 154 6D+1 0.00000 0.00000 0.00000 0.00013 155 6D-1 0.00000 0.00000 0.00000 0.00000 0.00067 156 6D+2 0.00000 0.00000 -0.00000 0.00000 0.00000 157 6D-2 0.00000 0.00000 0.00000 0.00000 0.00000 158 7D 0 0.00000 0.00000 0.00025 0.00000 0.00000 159 7D+1 0.00000 0.00000 0.00000 0.00023 0.00000 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00050 161 7D+2 0.00000 0.00000 0.00000 0.00000 0.00000 162 7D-2 0.00000 0.00000 0.00000 0.00000 0.00000 163 7 H 1S -0.00081 0.00007 0.00000 -0.00000 -0.00000 164 2S -0.00269 0.00027 0.00001 0.00000 -0.00000 165 3S -0.00133 0.00025 0.00000 0.00000 -0.00000 166 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 167 4PY -0.00004 0.00001 0.00000 -0.00000 -0.00000 168 4PZ 0.00000 0.00001 -0.00000 -0.00000 -0.00000 169 8 H 1S -0.00002 0.00018 -0.00000 0.00000 0.00000 170 2S -0.00009 0.00095 0.00000 0.00000 0.00000 171 3S -0.00008 0.00125 0.00000 -0.00000 0.00000 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY -0.00000 0.00002 -0.00000 -0.00000 -0.00000 174 4PZ 0.00001 -0.00001 -0.00000 0.00000 0.00000 175 9 H 1S -0.00000 -0.00005 0.00000 -0.00000 0.00000 176 2S -0.00000 -0.00026 0.00000 0.00000 -0.00000 177 3S -0.00000 -0.00090 0.00000 0.00000 0.00000 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY -0.00000 0.00000 -0.00000 -0.00000 -0.00000 180 4PZ 0.00000 0.00000 -0.00000 -0.00000 0.00000 181 10 H 1S -0.00002 0.00018 -0.00000 0.00000 0.00000 182 2S -0.00009 0.00095 0.00000 0.00000 0.00000 183 3S -0.00008 0.00125 0.00000 0.00000 0.00000 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00000 0.00002 -0.00000 -0.00000 -0.00000 186 4PZ 0.00001 -0.00001 -0.00000 0.00000 0.00000 187 11 H 1S -0.00081 0.00007 0.00000 -0.00000 -0.00000 188 2S -0.00269 0.00027 0.00001 -0.00000 -0.00000 189 3S -0.00133 0.00025 0.00000 -0.00000 -0.00000 190 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 191 4PY -0.00004 0.00001 0.00000 -0.00000 -0.00000 192 4PZ 0.00000 0.00001 -0.00000 -0.00000 -0.00000 156 157 158 159 160 156 6D+2 0.00020 157 6D-2 0.00000 0.00009 158 7D 0 -0.00000 0.00000 0.00212 159 7D+1 0.00000 0.00000 0.00000 0.00195 160 7D-1 0.00000 0.00000 0.00000 0.00000 0.00189 161 7D+2 0.00007 -0.00000 0.00000 0.00000 0.00000 162 7D-2 -0.00000 0.00016 0.00000 0.00000 0.00000 163 7 H 1S 0.00000 0.00000 0.00006 -0.00000 -0.00002 164 2S 0.00002 0.00000 0.00030 0.00000 -0.00008 165 3S 0.00001 0.00000 -0.00002 0.00000 -0.00004 166 4PX 0.00000 0.00000 -0.00000 0.00000 -0.00000 167 4PY 0.00000 0.00000 0.00003 -0.00000 -0.00000 168 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 169 8 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 170 2S 0.00000 0.00000 0.00000 0.00000 0.00000 171 3S 0.00000 0.00000 0.00002 0.00000 0.00003 172 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 173 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 174 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 175 9 H 1S -0.00000 -0.00000 0.00000 -0.00000 0.00000 176 2S -0.00000 -0.00000 0.00000 0.00000 0.00000 177 3S -0.00000 -0.00000 0.00002 0.00000 0.00000 178 4PX -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 179 4PY -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 180 4PZ -0.00000 -0.00000 -0.00000 -0.00000 0.00000 181 10 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 182 2S 0.00000 0.00000 0.00000 0.00000 0.00000 183 3S 0.00000 0.00000 0.00002 0.00000 0.00003 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00000 -0.00000 -0.00000 -0.00000 186 4PZ -0.00000 -0.00000 -0.00000 0.00000 0.00000 187 11 H 1S 0.00000 0.00000 0.00006 -0.00000 -0.00002 188 2S 0.00002 0.00000 0.00030 -0.00000 -0.00008 189 3S 0.00001 0.00000 -0.00002 -0.00000 -0.00004 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 0.00003 -0.00000 -0.00000 192 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00001 161 162 163 164 165 161 7D+2 0.00049 162 7D-2 -0.00000 0.00133 163 7 H 1S 0.00012 0.00000 0.08377 164 2S 0.00060 0.00000 0.08649 0.17970 165 3S 0.00009 0.00000 0.01497 0.04751 0.02973 166 4PX 0.00000 0.00002 0.00000 0.00000 0.00000 167 4PY 0.00006 0.00000 0.00000 0.00000 0.00000 168 4PZ -0.00000 -0.00000 0.00000 0.00000 0.00000 169 8 H 1S -0.00000 -0.00000 -0.00000 -0.00003 -0.00012 170 2S -0.00000 -0.00000 -0.00003 -0.00046 -0.00044 171 3S -0.00000 -0.00000 -0.00023 -0.00107 -0.00038 172 4PX 0.00000 0.00000 -0.00000 -0.00000 0.00000 173 4PY -0.00000 0.00000 -0.00000 -0.00000 0.00000 174 4PZ -0.00000 -0.00000 -0.00000 -0.00003 -0.00011 175 9 H 1S -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 176 2S -0.00000 -0.00000 -0.00000 -0.00000 -0.00005 177 3S -0.00000 -0.00000 -0.00000 -0.00004 -0.00029 178 4PX -0.00000 -0.00000 0.00000 0.00000 0.00000 179 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 180 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 181 10 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 182 2S -0.00000 -0.00000 0.00000 0.00000 0.00001 183 3S -0.00000 -0.00000 0.00000 0.00001 0.00012 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00000 0.00000 0.00000 0.00000 0.00000 186 4PZ -0.00000 -0.00000 0.00000 0.00000 -0.00000 187 11 H 1S 0.00012 0.00000 -0.00000 -0.00000 -0.00000 188 2S 0.00060 0.00000 -0.00000 -0.00000 -0.00002 189 3S 0.00009 0.00000 -0.00000 -0.00002 -0.00001 190 4PX 0.00000 0.00002 0.00000 0.00000 0.00000 191 4PY 0.00006 0.00000 0.00000 0.00000 0.00000 192 4PZ -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 166 167 168 169 170 166 4PX 0.00041 167 4PY 0.00000 0.00132 168 4PZ 0.00000 -0.00000 0.00068 169 8 H 1S 0.00000 0.00000 -0.00000 0.08316 170 2S 0.00000 0.00000 -0.00003 0.08698 0.18324 171 3S 0.00000 0.00000 -0.00009 0.01340 0.04365 172 4PX 0.00000 -0.00000 -0.00000 0.00000 0.00000 173 4PY -0.00000 -0.00000 -0.00000 0.00000 0.00000 174 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 175 9 H 1S -0.00000 -0.00000 0.00000 -0.00000 -0.00003 176 2S -0.00000 -0.00000 0.00000 -0.00003 -0.00057 177 3S -0.00000 -0.00000 0.00000 -0.00026 -0.00133 178 4PX -0.00000 0.00000 0.00000 -0.00000 -0.00000 179 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00001 180 4PZ 0.00000 0.00000 0.00000 -0.00000 -0.00001 181 10 H 1S 0.00000 0.00000 0.00000 -0.00000 -0.00000 182 2S 0.00000 0.00000 0.00000 -0.00000 -0.00000 183 3S 0.00000 0.00000 0.00000 -0.00000 -0.00004 184 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 186 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 187 11 H 1S 0.00000 0.00000 -0.00000 0.00000 0.00000 188 2S 0.00000 0.00000 -0.00000 0.00000 0.00000 189 3S 0.00000 0.00000 -0.00000 0.00000 0.00001 190 4PX -0.00000 0.00000 -0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 192 4PZ 0.00000 -0.00000 -0.00000 0.00000 0.00000 171 172 173 174 175 171 3S 0.02407 172 4PX 0.00000 0.00051 173 4PY 0.00000 0.00000 0.00154 174 4PZ 0.00000 -0.00000 0.00000 0.00056 175 9 H 1S -0.00031 -0.00000 -0.00000 -0.00000 0.08332 176 2S -0.00154 -0.00000 -0.00003 -0.00000 0.08717 177 3S -0.00166 -0.00000 -0.00008 -0.00002 0.01382 178 4PX -0.00000 0.00000 0.00000 0.00000 0.00000 179 4PY -0.00006 0.00000 0.00000 0.00000 0.00000 180 4PZ -0.00003 -0.00000 -0.00000 0.00000 0.00000 181 10 H 1S -0.00000 0.00000 0.00000 0.00000 -0.00000 182 2S -0.00004 0.00000 0.00000 0.00000 -0.00003 183 3S -0.00022 0.00000 0.00000 0.00000 -0.00031 184 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 185 4PY 0.00000 0.00000 0.00000 -0.00000 -0.00000 186 4PZ 0.00000 -0.00000 0.00000 -0.00000 -0.00000 187 11 H 1S 0.00000 0.00000 0.00000 0.00000 -0.00000 188 2S 0.00001 0.00000 0.00000 0.00000 -0.00000 189 3S 0.00012 0.00000 0.00000 -0.00000 -0.00000 190 4PX 0.00000 -0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 192 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 176 177 178 179 180 176 2S 0.18345 177 3S 0.04448 0.02411 178 4PX 0.00000 0.00000 0.00045 179 4PY 0.00000 0.00000 0.00000 0.00019 180 4PZ 0.00000 0.00000 0.00000 0.00000 0.00192 181 10 H 1S -0.00003 -0.00026 0.00000 -0.00000 -0.00000 182 2S -0.00057 -0.00133 0.00000 -0.00001 -0.00001 183 3S -0.00154 -0.00166 0.00000 -0.00006 -0.00003 184 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 185 4PY -0.00003 -0.00008 0.00000 0.00000 -0.00000 186 4PZ -0.00000 -0.00002 0.00000 0.00000 0.00000 187 11 H 1S -0.00000 -0.00000 0.00000 0.00000 0.00000 188 2S -0.00000 -0.00004 0.00000 0.00000 0.00000 189 3S -0.00005 -0.00029 0.00000 0.00000 -0.00000 190 4PX 0.00000 0.00000 -0.00000 0.00000 0.00000 191 4PY -0.00000 -0.00000 0.00000 0.00000 0.00000 192 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 181 182 183 184 185 181 10 H 1S 0.08316 182 2S 0.08698 0.18324 183 3S 0.01340 0.04365 0.02407 184 4PX 0.00000 0.00000 0.00000 0.00051 185 4PY 0.00000 0.00000 0.00000 0.00000 0.00154 186 4PZ 0.00000 0.00000 0.00000 0.00000 -0.00000 187 11 H 1S -0.00000 -0.00003 -0.00023 0.00000 -0.00000 188 2S -0.00003 -0.00046 -0.00107 0.00000 -0.00000 189 3S -0.00012 -0.00044 -0.00038 0.00000 0.00000 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00000 191 4PY 0.00000 0.00000 0.00000 0.00000 -0.00000 192 4PZ -0.00000 -0.00003 -0.00009 0.00000 -0.00000 186 187 188 189 190 186 4PZ 0.00056 187 11 H 1S -0.00000 0.08377 188 2S -0.00003 0.08649 0.17970 189 3S -0.00011 0.01497 0.04751 0.02973 190 4PX 0.00000 0.00000 0.00000 0.00000 0.00041 191 4PY 0.00000 0.00000 0.00000 0.00000 0.00000 192 4PZ 0.00000 0.00000 0.00000 0.00000 0.00000 191 192 191 4PY 0.00132 192 4PZ 0.00000 0.00068 Gross orbital populations: 1 1 1 C 1S 1.10336 2 2S 0.88506 3 2PX 0.16790 4 2PY 0.23415 5 2PZ 0.24324 6 3S 0.78317 7 3PX 0.40846 8 3PY 0.49675 9 3PZ 0.52591 10 4S 0.30266 11 4PX 0.31120 12 4PY 0.12739 13 4PZ 0.12938 14 5S 0.07859 15 5PX 0.03425 16 5PY 0.01911 17 5PZ 0.04406 18 6D 0 0.00639 19 6D+1 0.00191 20 6D-1 0.00772 21 6D+2 0.00373 22 6D-2 0.00165 23 7D 0 0.02419 24 7D+1 0.02251 25 7D-1 0.03924 26 7D+2 0.01081 27 7D-2 0.01227 28 2 C 1S 1.10323 29 2S 0.88525 30 2PX 0.17335 31 2PY 0.23886 32 2PZ 0.24385 33 3S 0.77746 34 3PX 0.42489 35 3PY 0.51618 36 3PZ 0.52714 37 4S 0.40581 38 4PX 0.35013 39 4PY 0.22466 40 4PZ 0.18181 41 5S -0.12711 42 5PX 0.00779 43 5PY 0.00771 44 5PZ -0.01058 45 6D 0 0.00487 46 6D+1 0.00136 47 6D-1 0.00529 48 6D+2 0.00251 49 6D-2 0.00099 50 7D 0 0.01403 51 7D+1 0.01782 52 7D-1 0.01700 53 7D+2 0.00526 54 7D-2 0.00999 55 3 C 1S 1.10329 56 2S 0.88520 57 2PX 0.16426 58 2PY 0.24757 59 2PZ 0.23910 60 3S 0.78346 61 3PX 0.40630 62 3PY 0.53759 63 3PZ 0.51281 64 4S 0.35379 65 4PX 0.32936 66 4PY 0.15991 67 4PZ 0.18303 68 5S 0.04899 69 5PX 0.03143 70 5PY -0.01283 71 5PZ 0.03598 72 6D 0 0.00415 73 6D+1 0.00078 74 6D-1 0.00571 75 6D+2 0.00300 76 6D-2 0.00194 77 7D 0 0.01887 78 7D+1 0.00494 79 7D-1 0.01185 80 7D+2 0.01041 81 7D-2 0.02628 82 4 C 1S 1.10323 83 2S 0.88525 84 2PX 0.17335 85 2PY 0.23886 86 2PZ 0.24385 87 3S 0.77746 88 3PX 0.42489 89 3PY 0.51618 90 3PZ 0.52714 91 4S 0.40581 92 4PX 0.35013 93 4PY 0.22466 94 4PZ 0.18181 95 5S -0.12711 96 5PX 0.00779 97 5PY 0.00771 98 5PZ -0.01058 99 6D 0 0.00487 100 6D+1 0.00136 101 6D-1 0.00529 102 6D+2 0.00251 103 6D-2 0.00099 104 7D 0 0.01403 105 7D+1 0.01782 106 7D-1 0.01700 107 7D+2 0.00526 108 7D-2 0.00999 109 5 C 1S 1.10336 110 2S 0.88506 111 2PX 0.16790 112 2PY 0.23415 113 2PZ 0.24324 114 3S 0.78317 115 3PX 0.40846 116 3PY 0.49675 117 3PZ 0.52591 118 4S 0.30266 119 4PX 0.31120 120 4PY 0.12739 121 4PZ 0.12938 122 5S 0.07859 123 5PX 0.03425 124 5PY 0.01911 125 5PZ 0.04406 126 6D 0 0.00639 127 6D+1 0.00191 128 6D-1 0.00772 129 6D+2 0.00373 130 6D-2 0.00165 131 7D 0 0.02419 132 7D+1 0.02251 133 7D-1 0.03924 134 7D+2 0.01081 135 7D-2 0.01227 136 6 N 1S 1.09482 137 2S 0.89599 138 2PX 0.20556 139 2PY 0.24717 140 2PZ 0.32251 141 3S 0.90190 142 3PX 0.47707 143 3PY 0.56135 144 3PZ 0.68578 145 4S 0.77249 146 4PX 0.41584 147 4PY 0.21533 148 4PZ 0.45694 149 5S 0.00997 150 5PX -0.01442 151 5PY -0.01538 152 5PZ -0.00340 153 6D 0 0.00085 154 6D+1 0.00077 155 6D-1 0.00408 156 6D+2 0.00140 157 6D-2 0.00078 158 7D 0 0.00991 159 7D+1 0.01114 160 7D-1 0.01779 161 7D+2 0.00595 162 7D-2 0.01589 163 7 H 1S 0.28198 164 2S 0.51891 165 3S 0.07723 166 4PX 0.00539 167 4PY 0.01298 168 4PZ 0.00756 169 8 H 1S 0.27999 170 2S 0.52441 171 3S 0.07702 172 4PX 0.00630 173 4PY 0.01489 174 4PZ 0.00657 175 9 H 1S 0.28046 176 2S 0.52475 177 3S 0.07647 178 4PX 0.00573 179 4PY 0.00346 180 4PZ 0.01817 181 10 H 1S 0.27999 182 2S 0.52441 183 3S 0.07702 184 4PX 0.00630 185 4PY 0.01489 186 4PZ 0.00657 187 11 H 1S 0.28198 188 2S 0.51891 189 3S 0.07723 190 4PX 0.00539 191 4PY 0.01298 192 4PZ 0.00756 Condensed to atoms (all electrons): 1 2 3 4 5 6 1 C 5.041438 0.328062 0.037215 -0.202808 0.120678 0.272438 2 C 0.328062 4.942610 0.466964 0.055697 -0.202808 0.127806 3 C 0.037215 0.466964 4.834748 0.466964 0.037215 -0.093318 4 C -0.202808 0.055697 0.466964 4.942610 0.328062 0.127806 5 C 0.120678 -0.202808 0.037215 0.328062 5.041438 0.272438 6 N 0.272438 0.127806 -0.093318 0.127806 0.272438 6.737435 7 H 0.015620 -0.005066 0.018953 -0.089485 0.449813 -0.076017 8 H 0.001997 0.017226 -0.047406 0.407357 -0.044544 0.002559 9 H 0.005146 -0.038799 0.404278 -0.038799 0.005146 0.000394 10 H -0.044544 0.407357 -0.047406 0.017226 0.001997 0.002559 11 H 0.449813 -0.089485 0.018953 -0.005066 0.015620 -0.076017 7 8 9 10 11 1 C 0.015620 0.001997 0.005146 -0.044544 0.449813 2 C -0.005066 0.017226 -0.038799 0.407357 -0.089485 3 C 0.018953 -0.047406 0.404278 -0.047406 0.018953 4 C -0.089485 0.407357 -0.038799 0.017226 -0.005066 5 C 0.449813 -0.044544 0.005146 0.001997 0.015620 6 N -0.076017 0.002559 0.000394 0.002559 -0.076017 7 H 0.593546 -0.003009 -0.000391 0.000140 -0.000052 8 H -0.003009 0.581135 -0.005963 -0.000308 0.000140 9 H -0.000391 -0.005963 0.584384 -0.005963 -0.000391 10 H 0.000140 -0.000308 -0.005963 0.581135 -0.003009 11 H -0.000052 0.000140 -0.000391 -0.003009 0.593546 Mulliken charges: 1 1 C -0.025055 2 C -0.009567 3 C -0.097160 4 C -0.009567 5 C -0.025055 6 N -0.298083 7 H 0.095948 8 H 0.090815 9 H 0.090958 10 H 0.090815 11 H 0.095948 Sum of Mulliken charges = -0.00000 Mulliken charges with hydrogens summed into heavy atoms: 1 1 C 0.070893 2 C 0.081249 3 C -0.006202 4 C 0.081249 5 C 0.070893 6 N -0.298083 Electronic spatial extent (au): = 433.8017 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= -2.3120 Tot= 2.3120 Quadrupole moment (field-independent basis, Debye-Ang): XX= -38.1678 YY= -29.6166 ZZ= -36.7879 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= -3.3104 YY= 5.2409 ZZ= -1.9305 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= -0.0000 YYY= -0.0000 ZZZ= -16.0537 XYY= -0.0000 XXY= -0.0000 XXZ= 1.2484 XZZ= -0.0000 YZZ= -0.0000 YYZ= 1.9753 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -44.6087 YYYY= -255.1008 ZZZZ= -290.4578 XXXY= -0.0000 XXXZ= 0.0000 YYYX= -0.0000 YYYZ= -0.0000 ZZZX= 0.0000 ZZZY= -0.0000 XXYY= -59.7601 XXZZ= -58.2809 YYZZ= -81.6616 XXYZ= 0.0000 YYXZ= 0.0000 ZZXY= -0.0000 N-N= 2.065361352869D+02 E-N=-9.899764665226D+02 KE= 2.473163994830D+02 Symmetry A1 KE= 1.613323147534D+02 Symmetry A2 KE= 2.280482771819D+00 Symmetry B1 KE= 4.718633388724D+00 Symmetry B2 KE= 7.898496856911D+01 Orbital energies and kinetic energies (alpha): 1 2 1 (A1)--O -14.314877 22.050828 2 (B2)--O -10.211681 15.953444 3 (A1)--O -10.211676 15.953587 4 (A1)--O -10.198346 15.952492 5 (B2)--O -10.188403 15.951665 6 (A1)--O -10.188374 15.952930 7 (A1)--O -0.951271 1.842708 8 (A1)--O -0.814511 1.719919 9 (B2)--O -0.770899 1.664282 10 (B2)--O -0.639140 1.607007 11 (A1)--O -0.637415 1.582328 12 (A1)--O -0.538568 1.023040 13 (B2)--O -0.491612 1.599572 14 (A1)--O -0.478443 1.315798 15 (B2)--O -0.438453 1.255851 16 (A1)--O -0.413811 1.397882 17 (B1)--O -0.407782 1.083188 18 (B2)--O -0.374127 1.460662 19 (B1)--O -0.298610 1.276128 20 (A2)--O -0.273767 1.140241 21 (A1)--O -0.265616 1.874645 22 (B1)--V -0.040761 1.446406 23 (A2)--V -0.027451 1.287209 24 (A1)--V 0.000395 0.296398 25 (B2)--V 0.019560 0.264858 26 (A1)--V 0.027191 0.257179 27 (B2)--V 0.046486 0.277568 28 (A1)--V 0.050685 0.290381 29 (B1)--V 0.054001 0.234110 30 (A1)--V 0.061879 0.278429 31 (B1)--V 0.084989 0.316395 32 (A2)--V 0.085200 0.263861 33 (A1)--V 0.094229 0.340217 34 (B2)--V 0.097200 0.227099 35 (B1)--V 0.117764 1.011915 36 (B2)--V 0.135870 0.297986 37 (A2)--V 0.138804 0.393076 38 (A1)--V 0.138910 0.333573 39 (B2)--V 0.144726 0.314592 40 (A1)--V 0.149165 0.378274 41 (B1)--V 0.156916 1.015890 42 (A1)--V 0.165820 0.657379 43 (B2)--V 0.194266 0.779258 44 (A1)--V 0.199379 0.775910 45 (B2)--V 0.201651 0.411829 46 (A1)--V 0.207216 0.627051 47 (B2)--V 0.208932 0.422701 48 (B2)--V 0.223935 0.874383 49 (A1)--V 0.231798 0.764862 50 (B1)--V 0.243670 0.554682 51 (A1)--V 0.249296 0.959774 52 (A1)--V 0.275070 0.649166 53 (B2)--V 0.296445 0.794424 54 (A1)--V 0.305042 1.256076 55 (B2)--V 0.315671 1.151712 56 (A1)--V 0.316388 1.406631 57 (B2)--V 0.326039 1.700097 58 (A1)--V 0.427111 1.283318 59 (B1)--V 0.453114 0.984644 60 (B2)--V 0.475315 1.357272 61 (A1)--V 0.479475 2.013032 62 (B2)--V 0.502766 1.503889 63 (A1)--V 0.508235 1.498743 64 (B1)--V 0.522040 1.372605 65 (A2)--V 0.526124 1.261284 66 (B2)--V 0.544164 1.842544 67 (B1)--V 0.558617 1.415483 68 (A1)--V 0.565033 1.641690 69 (A2)--V 0.600070 1.493209 70 (A1)--V 0.609444 1.564711 71 (B2)--V 0.612243 1.430988 72 (B1)--V 0.618867 1.570795 73 (A1)--V 0.623333 1.385436 74 (B2)--V 0.633345 1.840094 75 (A2)--V 0.649856 1.274710 76 (A1)--V 0.684474 2.148699 77 (B2)--V 0.723627 2.125244 78 (A1)--V 0.730869 2.230008 79 (A1)--V 0.757807 1.441307 80 (A2)--V 0.769261 1.432304 81 (B2)--V 0.781748 2.384824 82 (B1)--V 0.782460 1.427532 83 (B2)--V 0.801735 1.871875 84 (A1)--V 0.803506 1.804083 85 (B2)--V 0.808952 1.571135 86 (A1)--V 0.822714 2.275950 87 (A1)--V 0.846143 1.717726 88 (B1)--V 0.853917 1.758657 89 (A2)--V 0.871977 1.583938 90 (B1)--V 0.914498 1.896115 91 (B2)--V 0.916827 1.544753 92 (A1)--V 0.926886 1.759631 93 (A1)--V 0.990642 2.064418 94 (B2)--V 1.046100 1.778240 95 (A2)--V 1.129469 1.699903 96 (A1)--V 1.137923 2.216853 97 (B2)--V 1.158942 1.951520 98 (B1)--V 1.175518 1.774601 99 (B1)--V 1.250457 1.907548 100 (A1)--V 1.278725 2.432088 101 (A1)--V 1.315969 2.721189 102 (B2)--V 1.316210 2.631201 103 (A2)--V 1.316514 1.969274 104 (A1)--V 1.340391 2.442586 105 (B2)--V 1.358759 2.306391 106 (A1)--V 1.406330 2.795292 107 (B2)--V 1.406427 2.466958 108 (A1)--V 1.460304 2.511346 109 (B1)--V 1.471087 2.236008 110 (B2)--V 1.490063 2.406369 111 (A1)--V 1.494085 2.863575 112 (B2)--V 1.523441 2.922689 113 (B2)--V 1.587201 2.692774 114 (A1)--V 1.612140 2.538928 115 (B1)--V 1.641995 2.333346 116 (A2)--V 1.715159 2.348297 117 (A2)--V 1.811779 2.704403 118 (A1)--V 1.840207 3.372368 119 (B1)--V 1.878296 2.622605 120 (B2)--V 1.920694 2.971223 121 (A1)--V 1.968579 3.100853 122 (A2)--V 2.006960 2.678670 123 (B2)--V 2.148390 3.247289 124 (B1)--V 2.153707 2.965864 125 (A1)--V 2.219064 4.149843 126 (B2)--V 2.364276 4.715460 127 (A1)--V 2.383607 4.000244 128 (B2)--V 2.482324 3.683616 129 (A1)--V 2.491224 3.821714 130 (B2)--V 2.642864 3.576142 131 (A1)--V 2.655731 4.094730 132 (A1)--V 2.688214 4.230782 133 (B1)--V 2.689393 6.254416 134 (A1)--V 2.736519 4.154497 135 (B2)--V 2.743088 4.063722 136 (B2)--V 2.789381 4.163082 137 (A1)--V 2.804453 4.272958 138 (A2)--V 2.810612 6.222901 139 (B1)--V 2.812989 6.273783 140 (A2)--V 2.830150 6.258044 141 (B2)--V 2.992371 5.159729 142 (B1)--V 3.007887 6.282021 143 (B2)--V 3.057295 5.212446 144 (A2)--V 3.090139 4.777414 145 (A1)--V 3.090587 4.822293 146 (B1)--V 3.110918 4.915747 147 (B2)--V 3.184718 6.244187 148 (A1)--V 3.198448 5.205273 149 (B2)--V 3.256477 5.468904 150 (B1)--V 3.260816 5.006592 151 (A1)--V 3.265043 4.938830 152 (A2)--V 3.271734 4.897847 153 (B1)--V 3.331032 5.141549 154 (A1)--V 3.401004 6.374637 155 (A2)--V 3.409798 5.104981 156 (B2)--V 3.414191 6.699768 157 (A1)--V 3.510099 6.387936 158 (A1)--V 3.539355 5.660808 159 (A2)--V 3.560755 5.310321 160 (B2)--V 3.561075 5.674173 161 (A1)--V 3.563352 6.690968 162 (B1)--V 3.577348 5.374837 163 (B1)--V 3.586011 5.314763 164 (A2)--V 3.662936 5.443112 165 (B2)--V 3.674779 6.672188 166 (A1)--V 3.686102 6.823657 167 (B2)--V 3.743246 6.087673 168 (A1)--V 3.781343 6.458463 169 (B2)--V 3.790487 6.201227 170 (A1)--V 3.844360 5.863126 171 (A1)--V 3.886598 6.299184 172 (B2)--V 3.954780 6.337545 173 (B1)--V 3.955465 8.795598 174 (B2)--V 3.969228 5.784149 175 (A1)--V 3.998978 5.913539 176 (A1)--V 4.423956 8.147015 177 (B2)--V 4.533201 6.973316 178 (A1)--V 4.554948 7.008753 179 (A1)--V 4.831071 7.877675 180 (B2)--V 4.967782 8.284408 181 (B1)--V 5.008169 7.403720 182 (A2)--V 5.066329 7.487461 183 (A1)--V 5.140319 7.627194 184 (B2)--V 5.234377 8.061014 185 (A1)--V 5.621115 8.219797 186 (B2)--V 5.644138 9.457947 187 (A1)--V 23.736780 60.305993 188 (B2)--V 23.999582 60.364702 189 (A1)--V 24.003459 60.376137 190 (B2)--V 24.039260 60.425791 191 (A1)--V 24.087336 60.380635 192 (A1)--V 35.658831 89.014860 Total kinetic energy from orbitals= 2.473163994830D+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: C5H5N pyridine Storage needed: 111480 in NPA, 148180 in NBO ( 104856907 available) GSVD: LWork= 16872 too small for GESVD, short by 22230 words or 22230 for optimal perf. NATURAL POPULATIONS: Natural atomic orbital occupancies NAO Atom No lang Type(AO) Occupancy Energy ---------------------------------------------------------- 1 C 1 S Cor( 1S) 1.99921 -10.07448 2 C 1 S Val( 2S) 0.92056 -0.17219 3 C 1 S Ryd( 3S) 0.00227 0.96648 4 C 1 S Ryd( 4S) 0.00017 1.37890 5 C 1 S Ryd( 5S) 0.00001 21.16858 6 C 1 px Val( 2p) 0.92426 -0.12078 7 C 1 px Ryd( 4p) 0.00149 0.54134 8 C 1 px Ryd( 3p) 0.00020 0.28153 9 C 1 px Ryd( 5p) 0.00006 2.68553 10 C 1 py Val( 2p) 1.02711 -0.04980 11 C 1 py Ryd( 4p) 0.00857 0.97576 12 C 1 py Ryd( 3p) 0.00036 0.32387 13 C 1 py Ryd( 5p) 0.00012 3.23746 14 C 1 pz Val( 2p) 1.04483 -0.05048 15 C 1 pz Ryd( 4p) 0.00934 0.91316 16 C 1 pz Ryd( 3p) 0.00066 0.34414 17 C 1 pz Ryd( 5p) 0.00019 3.12979 18 C 1 dxy Ryd( 3d) 0.00049 1.89110 19 C 1 dxy Ryd( 4d) 0.00008 2.41829 20 C 1 dxz Ryd( 3d) 0.00034 1.91860 21 C 1 dxz Ryd( 4d) 0.00006 2.49571 22 C 1 dyz Ryd( 3d) 0.00118 2.40924 23 C 1 dyz Ryd( 4d) 0.00059 3.18310 24 C 1 dx2y2 Ryd( 3d) 0.00097 2.13754 25 C 1 dx2y2 Ryd( 4d) 0.00018 2.81716 26 C 1 dz2 Ryd( 3d) 0.00100 2.54789 27 C 1 dz2 Ryd( 4d) 0.00045 3.08526 28 C 2 S Cor( 1S) 1.99913 -10.04304 29 C 2 S Val( 2S) 0.96515 -0.18907 30 C 2 S Ryd( 3S) 0.00138 0.83185 31 C 2 S Ryd( 4S) 0.00008 1.52836 32 C 2 S Ryd( 5S) 0.00001 21.45247 33 C 2 px Val( 2p) 1.01044 -0.12557 34 C 2 px Ryd( 4p) 0.00127 0.49210 35 C 2 px Ryd( 3p) 0.00025 0.33040 36 C 2 px Ryd( 5p) 0.00003 2.71075 37 C 2 py Val( 2p) 1.15239 -0.07117 38 C 2 py Ryd( 4p) 0.00512 1.00800 39 C 2 py Ryd( 3p) 0.00036 0.38095 40 C 2 py Ryd( 5p) 0.00008 3.36256 41 C 2 pz Val( 2p) 1.09800 -0.07256 42 C 2 pz Ryd( 4p) 0.00495 0.87975 43 C 2 pz Ryd( 3p) 0.00039 0.45259 44 C 2 pz Ryd( 5p) 0.00017 3.37317 45 C 2 dxy Ryd( 3d) 0.00034 1.39827 46 C 2 dxy Ryd( 4d) 0.00006 2.90796 47 C 2 dxz Ryd( 3d) 0.00021 1.45771 48 C 2 dxz Ryd( 4d) 0.00009 2.95141 49 C 2 dyz Ryd( 3d) 0.00085 2.10641 50 C 2 dyz Ryd( 4d) 0.00066 3.51223 51 C 2 dx2y2 Ryd( 3d) 0.00119 1.77762 52 C 2 dx2y2 Ryd( 4d) 0.00024 3.25356 53 C 2 dz2 Ryd( 3d) 0.00104 2.20867 54 C 2 dz2 Ryd( 4d) 0.00036 3.41984 55 C 3 S Cor( 1S) 1.99915 -10.05108 56 C 3 S Val( 2S) 0.95676 -0.18706 57 C 3 S Ryd( 3S) 0.00139 1.08401 58 C 3 S Ryd( 4S) 0.00008 1.76053 59 C 3 S Ryd( 5S) 0.00001 20.83009 60 C 3 px Val( 2p) 0.95378 -0.12642 61 C 3 px Ryd( 4p) 0.00067 0.50434 62 C 3 px Ryd( 3p) 0.00022 0.33275 63 C 3 px Ryd( 5p) 0.00002 2.70181 64 C 3 py Val( 2p) 1.06590 -0.07004 65 C 3 py Ryd( 4p) 0.00443 0.76735 66 C 3 py Ryd( 3p) 0.00044 0.46861 67 C 3 py Ryd( 5p) 0.00018 3.43328 68 C 3 pz Val( 2p) 1.17261 -0.07276 69 C 3 pz Ryd( 4p) 0.00732 1.07003 70 C 3 pz Ryd( 3p) 0.00023 0.28959 71 C 3 pz Ryd( 5p) 0.00006 3.44531 72 C 3 dxy Ryd( 3d) 0.00015 1.41985 73 C 3 dxy Ryd( 4d) 0.00016 3.01435 74 C 3 dxz Ryd( 3d) 0.00039 1.31245 75 C 3 dxz Ryd( 4d) 0.00003 2.92664 76 C 3 dyz Ryd( 3d) 0.00077 2.03912 77 C 3 dyz Ryd( 4d) 0.00040 3.48068 78 C 3 dx2y2 Ryd( 3d) 0.00131 2.02622 79 C 3 dx2y2 Ryd( 4d) 0.00016 3.31909 80 C 3 dz2 Ryd( 3d) 0.00084 1.78055 81 C 3 dz2 Ryd( 4d) 0.00080 3.47165 82 C 4 S Cor( 1S) 1.99913 -10.04304 83 C 4 S Val( 2S) 0.96515 -0.18907 84 C 4 S Ryd( 3S) 0.00138 0.83185 85 C 4 S Ryd( 4S) 0.00008 1.52836 86 C 4 S Ryd( 5S) 0.00001 21.45247 87 C 4 px Val( 2p) 1.01044 -0.12557 88 C 4 px Ryd( 4p) 0.00127 0.49210 89 C 4 px Ryd( 3p) 0.00025 0.33040 90 C 4 px Ryd( 5p) 0.00003 2.71075 91 C 4 py Val( 2p) 1.15239 -0.07117 92 C 4 py Ryd( 4p) 0.00512 1.00800 93 C 4 py Ryd( 3p) 0.00036 0.38095 94 C 4 py Ryd( 5p) 0.00008 3.36256 95 C 4 pz Val( 2p) 1.09800 -0.07256 96 C 4 pz Ryd( 4p) 0.00495 0.87975 97 C 4 pz Ryd( 3p) 0.00039 0.45259 98 C 4 pz Ryd( 5p) 0.00017 3.37317 99 C 4 dxy Ryd( 3d) 0.00034 1.39827 100 C 4 dxy Ryd( 4d) 0.00006 2.90796 101 C 4 dxz Ryd( 3d) 0.00021 1.45771 102 C 4 dxz Ryd( 4d) 0.00009 2.95141 103 C 4 dyz Ryd( 3d) 0.00085 2.10641 104 C 4 dyz Ryd( 4d) 0.00066 3.51223 105 C 4 dx2y2 Ryd( 3d) 0.00119 1.77762 106 C 4 dx2y2 Ryd( 4d) 0.00024 3.25356 107 C 4 dz2 Ryd( 3d) 0.00104 2.20867 108 C 4 dz2 Ryd( 4d) 0.00036 3.41984 109 C 5 S Cor( 1S) 1.99921 -10.07448 110 C 5 S Val( 2S) 0.92056 -0.17219 111 C 5 S Ryd( 3S) 0.00227 0.96648 112 C 5 S Ryd( 4S) 0.00017 1.37890 113 C 5 S Ryd( 5S) 0.00001 21.16858 114 C 5 px Val( 2p) 0.92426 -0.12078 115 C 5 px Ryd( 4p) 0.00149 0.54134 116 C 5 px Ryd( 3p) 0.00020 0.28153 117 C 5 px Ryd( 5p) 0.00006 2.68553 118 C 5 py Val( 2p) 1.02711 -0.04980 119 C 5 py Ryd( 4p) 0.00857 0.97576 120 C 5 py Ryd( 3p) 0.00036 0.32387 121 C 5 py Ryd( 5p) 0.00012 3.23746 122 C 5 pz Val( 2p) 1.04483 -0.05048 123 C 5 pz Ryd( 4p) 0.00934 0.91316 124 C 5 pz Ryd( 3p) 0.00066 0.34414 125 C 5 pz Ryd( 5p) 0.00019 3.12979 126 C 5 dxy Ryd( 3d) 0.00049 1.89110 127 C 5 dxy Ryd( 4d) 0.00008 2.41829 128 C 5 dxz Ryd( 3d) 0.00034 1.91860 129 C 5 dxz Ryd( 4d) 0.00006 2.49571 130 C 5 dyz Ryd( 3d) 0.00118 2.40924 131 C 5 dyz Ryd( 4d) 0.00059 3.18310 132 C 5 dx2y2 Ryd( 3d) 0.00097 2.13754 133 C 5 dx2y2 Ryd( 4d) 0.00018 2.81716 134 C 5 dz2 Ryd( 3d) 0.00100 2.54789 135 C 5 dz2 Ryd( 4d) 0.00045 3.08526 136 N 6 S Cor( 1S) 1.99944 -14.12558 137 N 6 S Val( 2S) 1.37292 -0.51777 138 N 6 S Ryd( 3S) 0.00166 1.18711 139 N 6 S Ryd( 4S) 0.00005 1.43736 140 N 6 S Ryd( 5S) 0.00000 35.39425 141 N 6 px Val( 2p) 1.15939 -0.18166 142 N 6 px Ryd( 3p) 0.00085 0.57665 143 N 6 px Ryd( 4p) 0.00016 0.66600 144 N 6 px Ryd( 5p) 0.00001 3.79600 145 N 6 py Val( 2p) 1.20580 -0.16581 146 N 6 py Ryd( 4p) 0.00382 1.06113 147 N 6 py Ryd( 3p) 0.00044 0.86998 148 N 6 py Ryd( 5p) 0.00012 4.61490 149 N 6 pz Val( 2p) 1.68488 -0.21979 150 N 6 pz Ryd( 3p) 0.00933 0.67323 151 N 6 pz Ryd( 4p) 0.00013 0.81472 152 N 6 pz Ryd( 5p) 0.00004 4.22385 153 N 6 dxy Ryd( 3d) 0.00005 1.39400 154 N 6 dxy Ryd( 4d) 0.00016 5.00491 155 N 6 dxz Ryd( 3d) 0.00372 1.29999 156 N 6 dxz Ryd( 4d) 0.00000 4.93678 157 N 6 dyz Ryd( 3d) 0.00510 2.06899 158 N 6 dyz Ryd( 4d) 0.00026 5.20417 159 N 6 dx2y2 Ryd( 3d) 0.00249 1.70782 160 N 6 dx2y2 Ryd( 4d) 0.00009 5.08769 161 N 6 dz2 Ryd( 3d) 0.00675 1.46446 162 N 6 dz2 Ryd( 4d) 0.00027 5.08061 163 H 7 S Val( 1S) 0.81203 0.02926 164 H 7 S Ryd( 2S) 0.00052 0.85858 165 H 7 S Ryd( 3S) 0.00013 2.15042 166 H 7 px Ryd( 2p) 0.00015 1.88545 167 H 7 py Ryd( 2p) 0.00028 2.78454 168 H 7 pz Ryd( 2p) 0.00016 2.61296 169 H 8 S Val( 1S) 0.78734 0.03509 170 H 8 S Ryd( 2S) 0.00062 1.01156 171 H 8 S Ryd( 3S) 0.00016 1.96980 172 H 8 px Ryd( 2p) 0.00020 1.91418 173 H 8 py Ryd( 2p) 0.00034 2.82336 174 H 8 pz Ryd( 2p) 0.00013 2.59543 175 H 9 S Val( 1S) 0.79038 0.03294 176 H 9 S Ryd( 2S) 0.00050 1.00752 177 H 9 S Ryd( 3S) 0.00015 1.99378 178 H 9 px Ryd( 2p) 0.00019 1.90077 179 H 9 py Ryd( 2p) 0.00004 2.52093 180 H 9 pz Ryd( 2p) 0.00042 2.85332 181 H 10 S Val( 1S) 0.78734 0.03509 182 H 10 S Ryd( 2S) 0.00062 1.01156 183 H 10 S Ryd( 3S) 0.00016 1.96980 184 H 10 px Ryd( 2p) 0.00020 1.91418 185 H 10 py Ryd( 2p) 0.00034 2.82336 186 H 10 pz Ryd( 2p) 0.00013 2.59543 187 H 11 S Val( 1S) 0.81203 0.02926 188 H 11 S Ryd( 2S) 0.00052 0.85858 189 H 11 S Ryd( 3S) 0.00013 2.15042 190 H 11 px Ryd( 2p) 0.00015 1.88545 191 H 11 py Ryd( 2p) 0.00028 2.78454 192 H 11 pz Ryd( 2p) 0.00016 2.61296 WARNING: Population inversion found on atom C 1 Population inversion found on atom C 2 Population inversion found on atom C 3 Population inversion found on atom C 4 Population inversion found on atom C 5 Population inversion found on atom N 6 Summary of Natural Population Analysis: Natural Population Natural ----------------------------------------------- Atom No Charge Core Valence Rydberg Total ----------------------------------------------------------------------- C 1 0.05526 1.99921 3.91676 0.02877 5.94474 C 2 -0.24427 1.99913 4.22599 0.01915 6.24427 C 3 -0.16827 1.99915 4.14904 0.02008 6.16827 C 4 -0.24427 1.99913 4.22599 0.01915 6.24427 C 5 0.05526 1.99921 3.91676 0.02877 5.94474 N 6 -0.45793 1.99944 5.42299 0.03550 7.45793 H 7 0.18673 0.00000 0.81203 0.00124 0.81327 H 8 0.21122 0.00000 0.78734 0.00145 0.78878 H 9 0.20832 0.00000 0.79038 0.00131 0.79168 H 10 0.21122 0.00000 0.78734 0.00145 0.78878 H 11 0.18673 0.00000 0.81203 0.00124 0.81327 ======================================================================= * Total * 0.00000 11.99528 29.84664 0.15809 42.00000 Natural Population -------------------------------------------------------- Core 11.99528 ( 99.9606% of 12) Valence 29.84664 ( 99.4888% of 30) Natural Minimal Basis 41.84191 ( 99.6236% of 42) Natural Rydberg Basis 0.15809 ( 0.3764% of 42) -------------------------------------------------------- Atom No Natural Electron Configuration ---------------------------------------------------------------------------- C 1 [core]2S( 0.92)2p( 3.00)4p( 0.02) C 2 [core]2S( 0.97)2p( 3.26)4p( 0.01) C 3 [core]2S( 0.96)2p( 3.19)4p( 0.01) C 4 [core]2S( 0.97)2p( 3.26)4p( 0.01) C 5 [core]2S( 0.92)2p( 3.00)4p( 0.02) N 6 [core]2S( 1.37)2p( 4.05)3p( 0.01)3d( 0.02) H 7 1S( 0.81) H 8 1S( 0.79) H 9 1S( 0.79) H 10 1S( 0.79) H 11 1S( 0.81) NATURAL BOND ORBITAL ANALYSIS: Occupancies Lewis Structure Low High Occ. ------------------- ----------------- occ occ Cycle Thresh. Lewis Non-Lewis CR BD 3C LP (L) (NL) Dev ============================================================================= 1(1) 1.90 38.90394 3.09606 6 11 0 4 3 3 0.44 2(2) 1.90 38.90394 3.09606 6 11 0 4 3 3 0.44 3(1) 1.80 38.90394 3.09606 6 11 0 4 3 3 0.44 4(2) 1.80 38.90394 3.09606 6 11 0 4 3 3 0.44 5(1) 1.70 39.45420 2.54580 6 12 0 3 2 3 0.44 6(2) 1.70 39.45420 2.54580 6 12 0 3 2 3 0.44 7(1) 1.60 40.71486 1.28514 6 14 0 1 0 3 0.44 8(2) 1.60 40.71486 1.28514 6 14 0 1 0 3 0.44 9(1) 1.50 40.71486 1.28514 6 14 0 1 0 3 0.44 10(2) 1.50 40.71486 1.28514 6 14 0 1 0 3 0.44 11(1) 1.60 40.71486 1.28514 6 14 0 1 0 3 0.44 ----------------------------------------------------------------------------- Structure accepted: RESONANCE keyword permits strongly delocalized structure -------------------------------------------------------- Core 11.99529 ( 99.961% of 12) Valence Lewis 28.71957 ( 95.732% of 30) ================== ============================ Total Lewis 40.71486 ( 96.940% of 42) ----------------------------------------------------- Valence non-Lewis 1.20201 ( 2.862% of 42) Rydberg non-Lewis 0.08312 ( 0.198% of 42) ================== ============================ Total non-Lewis 1.28514 ( 3.060% of 42) -------------------------------------------------------- (Occupancy) Bond orbital/ Coefficients/ Hybrids --------------------------------------------------------------------------------- 1. (1.98478) BD ( 1) C 1 - C 2 ( 49.19%) 0.7014* C 1 s( 38.85%)p 1.57( 61.05%)d 0.00( 0.10%) 0.0001 0.6233 -0.0069 -0.0039 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0301 0.0405 -0.0032 0.0018 -0.7795 0.0133 0.0133 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0036 0.0027 -0.0075 0.0099 0.0294 0.0012 ( 50.81%) 0.7128* C 2 s( 34.96%)p 1.86( 64.92%)d 0.00( 0.12%) -0.0000 0.5912 -0.0095 -0.0010 0.0004 0.0000 0.0000 0.0000 0.0000 0.0016 0.0379 -0.0055 0.0009 0.8044 -0.0232 -0.0100 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0068 -0.0001 -0.0136 0.0093 0.0289 0.0066 2. (1.98635) BD ( 1) C 1 - N 6 ( 40.78%) 0.6386* C 1 s( 31.83%)p 2.14( 68.05%)d 0.00( 0.12%) 0.0001 0.5634 -0.0291 0.0052 0.0004 0.0000 0.0000 0.0000 0.0000 0.7051 -0.0176 -0.0096 -0.0010 0.4218 -0.0710 0.0057 -0.0011 0.0000 0.0000 0.0000 0.0000 0.0180 0.0105 -0.0273 0.0027 0.0004 -0.0057 ( 59.22%) 0.7696* N 6 s( 35.73%)p 1.79( 63.93%)d 0.01( 0.34%) -0.0001 0.5975 -0.0159 0.0007 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.7048 0.0341 0.0067 -0.0008 -0.3757 -0.0158 0.0043 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0452 0.0070 -0.0310 -0.0014 0.0183 -0.0030 3. (1.71367) BD ( 2) C 1 - N 6 ( 41.10%) 0.6411* C 1 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9994 0.0190 0.0159 0.0063 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0229 0.0023 -0.0000 0.0044 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 58.90%) 0.7674* N 6 s( 0.00%)p 1.00( 99.67%)d 0.00( 0.33%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9982 -0.0180 0.0083 -0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0024 -0.0043 -0.0570 -0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 4. (1.98137) BD ( 1) C 1 - H 11 ( 59.75%) 0.7730* C 1 s( 29.26%)p 2.41( 70.67%)d 0.00( 0.07%) 0.0005 -0.5404 -0.0252 -0.0000 0.0002 0.0000 0.0000 0.0000 0.0000 0.7047 0.0267 -0.0018 -0.0015 -0.4576 -0.0026 -0.0014 0.0015 0.0000 0.0000 0.0000 0.0000 0.0222 0.0019 0.0102 0.0038 0.0067 -0.0020 ( 40.25%) 0.6345* H 11 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0012 -0.0009 0.0000 -0.0168 0.0104 5. (1.97939) BD ( 1) C 2 - C 3 ( 49.93%) 0.7066* C 2 s( 35.69%)p 1.80( 64.18%)d 0.00( 0.12%) 0.0000 0.5973 -0.0146 0.0008 0.0003 0.0000 0.0000 0.0000 0.0000 0.6680 0.0033 -0.0127 0.0015 -0.4400 0.0433 -0.0002 0.0013 0.0000 0.0000 0.0000 0.0000 -0.0142 -0.0099 -0.0299 0.0030 0.0019 -0.0054 ( 50.07%) 0.7076* C 3 s( 35.57%)p 1.81( 64.32%)d 0.00( 0.11%) 0.0001 0.5963 -0.0130 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7059 0.0361 0.0076 0.0005 0.3778 0.0261 -0.0091 0.0009 0.0000 0.0000 0.0000 0.0000 -0.0168 -0.0091 -0.0247 0.0006 0.0102 -0.0081 6. (1.64985) BD ( 2) C 2 - C 3 ( 52.14%) 0.7220* C 2 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0192 0.0127 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0169 0.0047 0.0049 -0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 47.86%) 0.6918* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9996 0.0166 0.0143 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0055 -0.0058 0.0178 0.0030 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 7. (1.97936) BD ( 1) C 2 - H 10 ( 60.63%) 0.7787* C 2 s( 29.22%)p 2.42( 70.74%)d 0.00( 0.04%) 0.0004 -0.5402 -0.0192 -0.0002 0.0007 0.0000 0.0000 0.0000 0.0000 0.7424 0.0124 0.0010 -0.0022 0.3950 0.0060 0.0014 -0.0013 0.0000 0.0000 0.0000 0.0000 -0.0137 -0.0084 0.0106 0.0065 0.0027 0.0036 ( 39.37%) 0.6274* H 10 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0006 -0.0009 0.0000 -0.0185 -0.0096 8. (1.97939) BD ( 1) C 3 - C 4 ( 50.07%) 0.7076* C 3 s( 35.57%)p 1.81( 64.32%)d 0.00( 0.11%) 0.0001 0.5963 -0.0130 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 0.7059 -0.0361 -0.0076 -0.0005 0.3778 0.0261 -0.0091 0.0009 0.0000 0.0000 0.0000 0.0000 0.0168 0.0091 -0.0247 0.0006 0.0102 -0.0081 ( 49.93%) 0.7066* C 4 s( 35.69%)p 1.80( 64.18%)d 0.00( 0.12%) 0.0000 0.5973 -0.0146 0.0008 0.0003 0.0000 0.0000 0.0000 0.0000 -0.6680 -0.0033 0.0127 -0.0015 -0.4400 0.0433 -0.0002 0.0013 0.0000 0.0000 0.0000 0.0000 0.0142 0.0099 -0.0299 0.0030 0.0019 -0.0054 9. (1.98046) BD ( 1) C 3 - H 9 ( 60.52%) 0.7780* C 3 s( 28.75%)p 2.48( 71.20%)d 0.00( 0.05%) 0.0004 -0.5358 -0.0215 0.0001 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.8436 0.0182 0.0033 -0.0012 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0029 -0.0011 -0.0181 -0.0111 ( 39.48%) 0.6283* H 9 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0005 -0.0010 0.0000 0.0000 -0.0209 10. (1.98478) BD ( 1) C 4 - C 5 ( 50.81%) 0.7128* C 4 s( 34.96%)p 1.86( 64.92%)d 0.00( 0.12%) -0.0000 0.5912 -0.0095 -0.0010 0.0004 0.0000 0.0000 0.0000 0.0000 -0.0016 -0.0379 0.0055 -0.0009 0.8044 -0.0232 -0.0100 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.0068 0.0001 -0.0136 0.0093 0.0289 0.0066 ( 49.19%) 0.7014* C 5 s( 38.85%)p 1.57( 61.05%)d 0.00( 0.10%) 0.0001 0.6233 -0.0069 -0.0039 -0.0001 0.0000 0.0000 0.0000 0.0000 0.0301 -0.0405 0.0032 -0.0018 -0.7795 0.0133 0.0133 0.0005 0.0000 0.0000 0.0000 0.0000 0.0036 -0.0027 -0.0075 0.0099 0.0294 0.0012 11. (1.63398) BD ( 2) C 4 - C 5 ( 53.24%) 0.7296* C 4 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9994 0.0256 0.0141 0.0037 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0121 -0.0008 0.0130 0.0038 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 46.76%) 0.6838* C 5 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9994 0.0267 0.0128 0.0051 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0087 -0.0007 -0.0158 -0.0019 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 12. (1.97936) BD ( 1) C 4 - H 8 ( 60.63%) 0.7787* C 4 s( 29.22%)p 2.42( 70.74%)d 0.00( 0.04%) -0.0004 0.5402 0.0192 0.0002 -0.0007 0.0000 0.0000 0.0000 0.0000 0.7424 0.0124 0.0010 -0.0022 -0.3950 -0.0060 -0.0014 0.0013 0.0000 0.0000 0.0000 0.0000 -0.0137 -0.0084 -0.0106 -0.0065 -0.0027 -0.0036 ( 39.37%) 0.6274* H 8 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0006 0.0009 0.0000 -0.0185 0.0096 13. (1.98635) BD ( 1) C 5 - N 6 ( 40.78%) 0.6386* C 5 s( 31.83%)p 2.14( 68.05%)d 0.00( 0.12%) 0.0001 0.5634 -0.0291 0.0052 0.0004 0.0000 0.0000 0.0000 0.0000 -0.7051 0.0176 0.0096 0.0010 0.4218 -0.0710 0.0057 -0.0011 0.0000 0.0000 0.0000 0.0000 -0.0180 -0.0105 -0.0273 0.0027 0.0004 -0.0057 ( 59.22%) 0.7696* N 6 s( 35.73%)p 1.79( 63.93%)d 0.01( 0.34%) -0.0001 0.5975 -0.0159 0.0007 -0.0001 0.0000 0.0000 0.0000 0.0000 0.7048 -0.0341 -0.0067 0.0008 -0.3757 -0.0158 0.0043 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.0452 -0.0070 -0.0310 -0.0014 0.0183 -0.0030 14. (1.98137) BD ( 1) C 5 - H 7 ( 59.75%) 0.7730* C 5 s( 29.26%)p 2.41( 70.67%)d 0.00( 0.07%) -0.0005 0.5404 0.0252 0.0000 -0.0002 0.0000 0.0000 0.0000 0.0000 0.7047 0.0267 -0.0018 -0.0015 0.4576 0.0026 0.0014 -0.0015 0.0000 0.0000 0.0000 0.0000 0.0222 0.0019 -0.0102 -0.0038 -0.0067 0.0020 ( 40.25%) 0.6345* H 7 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0012 0.0009 0.0000 -0.0168 -0.0104 15. (1.99921) CR ( 1) C 1 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 -0.0000 0.0000 0.0000 0.0003 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 16. (1.99914) CR ( 1) C 2 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 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 17. (1.99915) CR ( 1) C 3 s(100.00%)p 0.00( 0.00%) 1.0000 0.0001 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0004 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 18. (1.99914) CR ( 1) C 4 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 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 19. (1.99921) CR ( 1) C 5 s(100.00%)p 0.00( 0.00%) 1.0000 0.0002 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0004 0.0000 -0.0000 -0.0000 0.0003 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 20. (1.99944) CR ( 1) N 6 s(100.00%) 1.0000 0.0002 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0001 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 21. (1.91910) LP ( 1) N 6 s( 28.50%)p 2.50( 71.19%)d 0.01( 0.31%) -0.0002 0.5335 0.0209 -0.0012 0.0002 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.8429 0.0383 0.0026 0.0012 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0068 0.0007 -0.0547 0.0051 22. (0.00784) RY*( 1) C 1 s( 3.52%)p24.87( 87.54%)d 2.54( 8.94%) 0.0000 0.0101 0.1820 0.0437 0.0077 0.0000 0.0000 0.0000 0.0000 0.0122 0.8930 0.0402 0.0035 0.0568 0.2286 0.0990 -0.1045 0.0000 0.0000 0.0000 0.0000 0.1424 0.0952 0.1448 -0.0026 0.0197 0.1966 23. (0.00583) RY*( 2) C 1 s( 0.18%)p99.99( 97.22%)d14.29( 2.60%) -0.0000 0.0311 -0.0075 0.0167 -0.0228 0.0000 0.0000 0.0000 0.0000 0.0517 -0.2338 0.1303 -0.1165 0.0249 0.9352 -0.0553 -0.0775 0.0000 0.0000 0.0000 0.0000 0.0226 -0.1576 -0.0019 -0.0057 0.0209 -0.0123 24. (0.00131) RY*( 3) C 1 s( 0.00%)p 1.00( 62.40%)d 0.60( 37.60%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0021 0.7841 -0.0335 0.0899 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.5334 0.1648 -0.1401 -0.2113 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 25. (0.00110) RY*( 4) C 1 s( 18.89%)p 2.10( 39.67%)d 2.19( 41.44%) -0.0000 0.0038 0.4272 0.0778 0.0168 0.0000 0.0000 0.0000 0.0000 0.0092 -0.1903 0.3453 0.0189 -0.0068 -0.1437 0.4631 0.0748 0.0000 0.0000 0.0000 0.0000 0.3120 -0.4586 0.2344 -0.0316 0.1570 0.1618 26. (0.00053) RY*( 5) C 1 s( 41.50%)p 0.87( 35.92%)d 0.54( 22.58%) -0.0000 0.0141 0.6399 -0.0723 -0.0062 -0.0000 -0.0000 -0.0000 -0.0000 0.0222 0.0208 -0.1958 -0.1511 -0.0107 -0.0254 -0.5272 0.1355 -0.0000 -0.0000 -0.0000 -0.0000 0.0783 -0.1035 0.0550 -0.3305 -0.0571 -0.3057 27. (0.00048) RY*( 6) C 1 s( 0.00%)p 1.00( 15.98%)d 5.26( 84.02%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0182 0.3323 0.1497 0.1633 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3122 0.2649 0.8033 0.1648 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 28. (0.00022) RY*( 7) C 1 s( 43.90%)p 0.48( 20.91%)d 0.80( 35.19%) -0.0000 0.0029 0.0494 0.6589 -0.0494 0.0000 0.0000 0.0000 0.0000 -0.0010 -0.1220 0.1573 0.0697 -0.0041 0.0576 -0.0573 0.3975 0.0000 0.0000 0.0000 0.0000 0.0957 0.5308 0.1305 -0.1379 0.1435 0.0661 29. (0.00011) RY*( 8) C 1 s( 7.20%)p 1.69( 12.14%)d11.21( 80.67%) -0.0000 0.0130 0.2659 -0.0154 0.0289 -0.0000 -0.0000 -0.0000 -0.0000 0.0307 -0.1084 0.2576 -0.1572 -0.0209 -0.0328 0.0129 -0.1264 -0.0000 -0.0000 -0.0000 -0.0000 -0.5101 0.1626 0.1594 -0.0495 -0.5781 0.3975 30. (0.00008) RY*( 9) C 1 s( 11.88%)p 2.30( 27.36%)d 5.11( 60.76%) 31. (0.00004) RY*(10) C 1 s( 20.16%)p 1.35( 27.12%)d 2.62( 52.72%) 32. (0.00001) RY*(11) C 1 s( 9.53%)p 8.66( 82.56%)d 0.83( 7.91%) 33. (0.00001) RY*(12) C 1 s( 27.00%)p 2.37( 63.89%)d 0.34( 9.11%) 34. (0.00000) RY*(13) C 1 s( 0.00%)p 1.00( 19.36%)d 4.16( 80.64%) 35. (0.00000) RY*(14) C 1 s( 0.00%)p 1.00( 5.35%)d17.68( 94.65%) 36. (0.00000) RY*(15) C 1 s( 87.65%)p 0.03( 2.77%)d 0.11( 9.59%) 37. (0.00000) RY*(16) C 1 s( 0.00%)p 1.00( 1.52%)d64.92( 98.48%) 38. (0.00000) RY*(17) C 1 s( 10.03%)p 6.28( 62.95%)d 2.69( 27.02%) 39. (0.00000) RY*(18) C 1 s( 0.00%)p 1.00( 98.00%)d 0.02( 2.00%) 40. (0.00001) RY*(19) C 1 s( 11.47%)p 0.73( 8.36%)d 6.99( 80.17%) 41. (0.00001) RY*(20) C 1 s( 6.66%)p 1.46( 9.72%)d12.55( 83.62%) 42. (0.00000) RY*(21) C 1 s( 0.00%)p 1.00( 97.43%)d 0.03( 2.57%) 43. (0.00001) RY*(22) C 1 s( 0.49%)p45.05( 22.11%)d99.99( 77.40%) 44. (0.00552) RY*( 1) C 2 s( 2.16%)p41.24( 89.02%)d 4.09( 8.83%) 0.0000 -0.0187 0.1453 0.0008 0.0105 0.0000 0.0000 0.0000 0.0000 -0.0265 0.7548 -0.0531 0.0284 -0.0066 0.5573 -0.0742 -0.0004 0.0000 0.0000 0.0000 0.0000 0.0413 -0.2355 0.0108 0.0848 -0.0293 0.1513 45. (0.00175) RY*( 2) C 2 s( 0.71%)p99.99( 98.22%)d 1.51( 1.07%) -0.0000 -0.0038 0.0837 -0.0090 0.0022 -0.0000 -0.0000 -0.0000 -0.0000 0.0203 0.5435 -0.0528 -0.1469 -0.0452 -0.7732 0.0611 0.2416 -0.0000 -0.0000 -0.0000 -0.0000 -0.0005 0.0047 -0.0414 0.0632 -0.0080 0.0702 46. (0.00105) RY*( 3) C 2 s( 43.40%)p 0.14( 6.22%)d 1.16( 50.38%) -0.0000 0.0105 0.6576 -0.0184 0.0342 0.0000 0.0000 0.0000 0.0000 0.0117 0.0341 0.1968 -0.0928 0.0068 0.0632 0.0912 -0.0349 0.0000 0.0000 0.0000 0.0000 -0.5224 0.3492 0.2025 -0.1510 0.1813 -0.1106 47. (0.00095) RY*( 4) C 2 s( 0.00%)p 1.00( 74.53%)d 0.34( 25.47%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0110 0.8214 0.2249 0.1410 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.4496 0.0528 -0.0121 0.2228 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 48. (0.00063) RY*( 5) C 2 s( 0.20%)p99.99( 54.18%)d99.99( 45.61%) 0.0000 -0.0030 -0.0101 0.0426 -0.0105 0.0000 0.0000 0.0000 0.0000 -0.0041 0.0860 -0.3158 0.1269 -0.0022 -0.0406 0.5988 -0.2418 0.0000 0.0000 0.0000 0.0000 0.0672 -0.3105 0.1131 -0.2129 0.3208 -0.4406 49. (0.00026) RY*( 6) C 2 s( 0.00%)p 1.00( 1.62%)d60.59( 98.38%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0034 -0.0971 -0.0577 -0.0588 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0716 -0.4098 0.7804 0.4490 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 50. (0.00014) RY*( 7) C 2 s( 51.01%)p 0.33( 17.05%)d 0.63( 31.95%) 0.0000 -0.0157 0.0837 0.7089 -0.0135 0.0000 0.0000 0.0000 0.0000 -0.0110 -0.1053 -0.2933 -0.1282 -0.0033 -0.0365 -0.2206 -0.0824 0.0000 0.0000 0.0000 0.0000 -0.2637 -0.1999 -0.2846 0.1343 0.2982 0.1484 51. (0.00013) RY*( 8) C 2 s( 24.63%)p 1.69( 41.59%)d 1.37( 33.78%) -0.0000 0.0079 0.4817 -0.0521 -0.1072 0.0000 0.0000 0.0000 0.0000 0.0258 -0.1091 -0.4653 -0.1686 0.0055 -0.0837 -0.2920 -0.2571 0.0000 0.0000 0.0000 0.0000 0.4500 -0.0020 0.2039 -0.1976 -0.2275 0.0540 52. (0.00008) RY*( 9) C 2 s( 16.28%)p 2.87( 46.80%)d 2.27( 36.92%) 53. (0.00004) RY*(10) C 2 s( 12.06%)p 3.31( 39.97%)d 3.98( 47.96%) 54. (0.00000) RY*(11) C 2 s( 97.49%)p 0.01( 1.16%)d 0.01( 1.35%) 55. (0.00001) RY*(12) C 2 s( 7.62%)p 6.97( 53.06%)d 5.16( 39.32%) 56. (0.00000) RY*(13) C 2 s( 0.00%)p 1.00( 21.49%)d 3.65( 78.51%) 57. (0.00000) RY*(14) C 2 s( 0.00%)p 1.00( 0.45%)d99.99( 99.55%) 58. (0.00000) RY*(15) C 2 s( 0.00%)p 1.00( 99.91%)d 0.00( 0.09%) 59. (0.00000) RY*(16) C 2 s( 0.00%)p 1.00( 2.71%)d35.92( 97.29%) 60. (0.00001) RY*(17) C 2 s( 9.84%)p 8.09( 79.68%)d 1.06( 10.48%) 61. (0.00000) RY*(18) C 2 s( 21.42%)p 0.88( 18.81%)d 2.79( 59.77%) 62. (0.00000) RY*(19) C 2 s( 0.00%)p 1.00( 99.32%)d 0.01( 0.68%) 63. (0.00000) RY*(20) C 2 s( 1.41%)p 6.93( 9.77%)d62.99( 88.82%) 64. (0.00001) RY*(21) C 2 s( 9.54%)p 0.70( 6.73%)d 8.77( 83.73%) 65. (0.00000) RY*(22) C 2 s( 2.35%)p16.17( 37.92%)d25.47( 59.73%) 66. (0.00681) RY*( 1) C 3 s( 0.75%)p99.99( 89.26%)d13.40( 10.00%) -0.0000 -0.0216 0.0780 -0.0294 0.0073 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0336 0.9415 -0.0557 0.0438 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0585 -0.1436 0.0787 -0.2641 67. (0.00222) RY*( 2) C 3 s( 0.00%)p 1.00( 99.36%)d 0.01( 0.64%) -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0471 0.9624 -0.0838 -0.2411 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0660 -0.0448 -0.0000 0.0000 -0.0000 -0.0000 68. (0.00079) RY*( 3) C 3 s( 53.35%)p 0.12( 6.64%)d 0.75( 40.01%) 0.0000 0.0135 0.7294 0.0231 0.0264 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0000 0.0165 0.1046 0.1934 -0.1335 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0991 0.0265 -0.5327 0.3252 69. (0.00066) RY*( 4) C 3 s( 0.00%)p 1.00( 49.42%)d 1.02( 50.58%) -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0028 -0.0551 0.6610 -0.2330 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.3831 -0.5992 0.0000 -0.0000 0.0000 -0.0000 70. (0.00052) RY*( 5) C 3 s( 0.00%)p 1.00( 68.50%)d 0.46( 31.50%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0065 0.7989 0.1650 0.1399 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0990 0.1035 -0.5055 0.1974 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 71. (0.00037) RY*( 6) C 3 s( 0.00%)p 1.00( 1.44%)d68.50( 98.56%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0090 -0.1155 -0.0238 -0.0202 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.6842 0.7151 0.0733 -0.0285 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 72. (0.00015) RY*( 7) C 3 s( 45.14%)p 0.56( 25.36%)d 0.65( 29.49%) -0.0000 -0.0048 0.3838 0.5432 -0.0952 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0113 -0.1739 -0.2002 -0.4280 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 -0.0270 -0.2189 0.2961 -0.3982 73. (0.00011) RY*( 8) C 3 s( 4.99%)p 1.88( 9.36%)d17.16( 85.65%) -0.0000 -0.0274 -0.1185 0.1863 0.0209 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0279 0.0695 -0.2640 0.1354 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.8780 0.2340 -0.1508 -0.0901 74. (0.00007) RY*( 9) C 3 s( 57.30%)p 0.40( 23.00%)d 0.34( 19.69%) 75. (0.00006) RY*(10) C 3 s( 0.00%)p 1.00( 62.52%)d 0.60( 37.48%) 76. (0.00002) RY*(11) C 3 s( 0.00%)p 1.00( 19.62%)d 4.10( 80.38%) 77. (0.00000) RY*(12) C 3 s( 21.95%)p 3.27( 71.72%)d 0.29( 6.33%) 78. (0.00000) RY*(13) C 3 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 79. (0.00000) RY*(14) C 3 s( 96.97%)p 0.01( 1.42%)d 0.02( 1.61%) 80. (0.00000) RY*(15) C 3 s( 0.00%)p 1.00( 28.62%)d 2.49( 71.38%) 81. (0.00000) RY*(16) C 3 s( 0.00%)p 1.00( 2.98%)d32.52( 97.02%) 82. (0.00000) RY*(17) C 3 s( 0.00%)p 1.00( 99.11%)d 0.01( 0.89%) 83. (0.00000) RY*(18) C 3 s( 0.00%)p 1.00( 69.15%)d 0.45( 30.85%) 84. (0.00000) RY*(19) C 3 s( 0.00%)p 1.00( 99.39%)d 0.01( 0.61%) 85. (0.00000) RY*(20) C 3 s( 8.68%)p 0.52( 4.48%)d10.01( 86.84%) 86. (0.00000) RY*(21) C 3 s( 5.48%)p10.90( 59.73%)d 6.35( 34.79%) 87. (0.00000) RY*(22) C 3 s( 5.49%)p 1.66( 9.11%)d15.54( 85.40%) 88. (0.00552) RY*( 1) C 4 s( 2.16%)p41.24( 89.02%)d 4.09( 8.83%) 0.0000 -0.0187 0.1453 0.0008 0.0105 -0.0000 -0.0000 -0.0000 -0.0000 0.0265 -0.7548 0.0531 -0.0284 -0.0066 0.5573 -0.0742 -0.0004 -0.0000 -0.0000 -0.0000 -0.0000 -0.0413 0.2355 0.0108 0.0848 -0.0293 0.1513 89. (0.00175) RY*( 2) C 4 s( 0.71%)p99.99( 98.22%)d 1.51( 1.07%) -0.0000 -0.0038 0.0837 -0.0090 0.0022 -0.0000 -0.0000 -0.0000 -0.0000 -0.0203 -0.5435 0.0528 0.1469 -0.0452 -0.7732 0.0611 0.2416 -0.0000 -0.0000 -0.0000 -0.0000 0.0005 -0.0047 -0.0414 0.0632 -0.0080 0.0702 90. (0.00105) RY*( 3) C 4 s( 43.40%)p 0.14( 6.22%)d 1.16( 50.38%) -0.0000 0.0105 0.6576 -0.0184 0.0342 0.0000 0.0000 0.0000 0.0000 -0.0117 -0.0341 -0.1968 0.0928 0.0068 0.0632 0.0912 -0.0349 0.0000 0.0000 0.0000 0.0000 0.5224 -0.3492 0.2025 -0.1510 0.1813 -0.1106 91. (0.00088) RY*( 4) C 4 s( 0.00%)p 1.00( 75.41%)d 0.33( 24.59%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0196 0.8253 0.2277 0.1440 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.4451 -0.0754 -0.0554 0.1976 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 92. (0.00063) RY*( 5) C 4 s( 0.20%)p99.99( 54.18%)d99.99( 45.61%) 0.0000 -0.0030 -0.0101 0.0426 -0.0105 0.0000 0.0000 0.0000 0.0000 0.0041 -0.0860 0.3158 -0.1269 -0.0022 -0.0406 0.5988 -0.2418 0.0000 0.0000 0.0000 0.0000 -0.0672 0.3105 0.1131 -0.2129 0.3208 -0.4406 93. (0.00028) RY*( 6) C 4 s( 0.00%)p 1.00( 0.74%)d99.99( 99.26%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0082 -0.0518 -0.0453 -0.0509 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0965 0.4063 0.7785 0.4607 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 94. (0.00014) RY*( 7) C 4 s( 51.00%)p 0.33( 17.05%)d 0.63( 31.95%) 0.0000 -0.0157 0.0837 0.7090 -0.0135 0.0000 0.0000 0.0000 0.0000 0.0110 0.1053 0.2933 0.1282 -0.0033 -0.0365 -0.2206 -0.0824 0.0000 0.0000 0.0000 0.0000 0.2637 0.1999 -0.2846 0.1343 0.2982 0.1484 95. (0.00013) RY*( 8) C 4 s( 24.63%)p 1.69( 41.59%)d 1.37( 33.78%) -0.0000 0.0079 0.4817 -0.0521 -0.1072 -0.0000 -0.0000 -0.0000 -0.0000 -0.0258 0.1092 0.4653 0.1686 0.0055 -0.0837 -0.2920 -0.2571 -0.0000 -0.0000 -0.0000 -0.0000 -0.4500 0.0020 0.2039 -0.1976 -0.2275 0.0540 96. (0.00008) RY*( 9) C 4 s( 16.28%)p 2.87( 46.80%)d 2.27( 36.92%) 97. (0.00004) RY*(10) C 4 s( 12.06%)p 3.31( 39.97%)d 3.98( 47.96%) 98. (0.00000) RY*(11) C 4 s( 97.49%)p 0.01( 1.16%)d 0.01( 1.35%) 99. (0.00001) RY*(12) C 4 s( 7.62%)p 6.97( 53.06%)d 5.16( 39.32%) 100. (0.00000) RY*(13) C 4 s( 0.00%)p 1.00( 22.70%)d 3.40( 77.30%) 101. (0.00000) RY*(14) C 4 s( 0.00%)p 1.00( 0.44%)d99.99( 99.56%) 102. (0.00000) RY*(15) C 4 s( 0.00%)p 1.00( 98.58%)d 0.01( 1.42%) 103. (0.00000) RY*(16) C 4 s( 0.00%)p 1.00( 2.82%)d34.49( 97.18%) 104. (0.00001) RY*(17) C 4 s( 9.84%)p 8.09( 79.68%)d 1.06( 10.48%) 105. (0.00000) RY*(18) C 4 s( 21.42%)p 0.88( 18.81%)d 2.79( 59.77%) 106. (0.00000) RY*(19) C 4 s( 0.00%)p 1.00( 99.34%)d 0.01( 0.66%) 107. (0.00000) RY*(20) C 4 s( 1.41%)p 6.93( 9.77%)d62.99( 88.82%) 108. (0.00001) RY*(21) C 4 s( 9.54%)p 0.70( 6.73%)d 8.77( 83.73%) 109. (0.00000) RY*(22) C 4 s( 2.35%)p16.17( 37.92%)d25.47( 59.73%) 110. (0.00784) RY*( 1) C 5 s( 3.52%)p24.87( 87.54%)d 2.54( 8.94%) 0.0000 0.0101 0.1820 0.0437 0.0077 -0.0000 -0.0000 -0.0000 -0.0000 -0.0122 -0.8930 -0.0402 -0.0035 0.0568 0.2286 0.0990 -0.1045 -0.0000 -0.0000 -0.0000 -0.0000 -0.1424 -0.0952 0.1448 -0.0026 0.0197 0.1966 111. (0.00583) RY*( 2) C 5 s( 0.18%)p99.99( 97.22%)d14.29( 2.60%) -0.0000 0.0311 -0.0075 0.0167 -0.0228 0.0000 0.0000 0.0000 0.0000 -0.0517 0.2338 -0.1303 0.1165 0.0249 0.9352 -0.0553 -0.0775 0.0000 0.0000 0.0000 0.0000 -0.0226 0.1576 -0.0019 -0.0057 0.0209 -0.0123 112. (0.00114) RY*( 3) C 5 s( 0.00%)p 1.00( 67.66%)d 0.48( 32.34%) 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0191 0.8152 -0.0173 0.1070 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.4967 -0.1925 -0.0521 -0.1922 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 113. (0.00110) RY*( 4) C 5 s( 18.89%)p 2.10( 39.67%)d 2.19( 41.44%) -0.0000 0.0038 0.4272 0.0778 0.0168 0.0000 0.0000 0.0000 0.0000 -0.0092 0.1903 -0.3453 -0.0189 -0.0068 -0.1437 0.4631 0.0748 0.0000 0.0000 0.0000 0.0000 -0.3120 0.4586 0.2344 -0.0316 0.1570 0.1618 114. (0.00053) RY*( 5) C 5 s( 41.50%)p 0.87( 35.92%)d 0.54( 22.58%) -0.0000 0.0141 0.6399 -0.0723 -0.0062 -0.0000 -0.0000 -0.0000 -0.0000 -0.0222 -0.0208 0.1958 0.1511 -0.0107 -0.0254 -0.5272 0.1355 -0.0000 -0.0000 -0.0000 -0.0000 -0.0783 0.1035 0.0550 -0.3305 -0.0571 -0.3057 115. (0.00051) RY*( 6) C 5 s( 0.00%)p 1.00( 10.70%)d 8.34( 89.30%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0005 0.2458 0.1527 0.1527 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.3685 -0.2455 0.8137 0.1867 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 116. (0.00022) RY*( 7) C 5 s( 43.90%)p 0.48( 20.91%)d 0.80( 35.19%) -0.0000 0.0029 0.0494 0.6589 -0.0494 0.0000 0.0000 0.0000 0.0000 0.0010 0.1220 -0.1573 -0.0697 -0.0041 0.0576 -0.0573 0.3975 0.0000 0.0000 0.0000 0.0000 -0.0957 -0.5308 0.1305 -0.1379 0.1435 0.0661 117. (0.00011) RY*( 8) C 5 s( 7.20%)p 1.69( 12.14%)d11.21( 80.67%) -0.0000 0.0130 0.2659 -0.0154 0.0289 0.0000 0.0000 0.0000 0.0000 -0.0307 0.1084 -0.2576 0.1572 -0.0209 -0.0328 0.0129 -0.1264 0.0000 0.0000 0.0000 0.0000 0.5101 -0.1626 0.1594 -0.0495 -0.5781 0.3975 118. (0.00008) RY*( 9) C 5 s( 11.88%)p 2.30( 27.36%)d 5.11( 60.76%) 119. (0.00004) RY*(10) C 5 s( 20.16%)p 1.35( 27.12%)d 2.62( 52.72%) 120. (0.00001) RY*(11) C 5 s( 9.48%)p 8.71( 82.59%)d 0.84( 7.93%) 121. (0.00001) RY*(12) C 5 s( 27.00%)p 2.37( 63.89%)d 0.34( 9.11%) 122. (0.00000) RY*(13) C 5 s( 0.00%)p 1.00( 19.10%)d 4.24( 80.90%) 123. (0.00000) RY*(14) C 5 s( 0.00%)p 1.00( 5.52%)d17.12( 94.48%) 124. (0.00000) RY*(15) C 5 s( 87.65%)p 0.03( 2.77%)d 0.11( 9.59%) 125. (0.00000) RY*(16) C 5 s( 0.00%)p 1.00( 1.54%)d63.90( 98.46%) 126. (0.00000) RY*(17) C 5 s( 10.05%)p 6.27( 62.97%)d 2.68( 26.98%) 127. (0.00000) RY*(18) C 5 s( 0.00%)p 1.00( 98.07%)d 0.02( 1.93%) 128. (0.00001) RY*(19) C 5 s( 11.47%)p 0.73( 8.36%)d 6.99( 80.17%) 129. (0.00001) RY*(20) C 5 s( 6.69%)p 1.45( 9.67%)d12.50( 83.63%) 130. (0.00000) RY*(21) C 5 s( 0.00%)p 1.00( 97.44%)d 0.03( 2.56%) 131. (0.00001) RY*(22) C 5 s( 0.49%)p45.05( 22.11%)d99.99( 77.40%) 132. (0.00654) RY*( 1) N 6 s( 0.07%)p99.99( 93.76%)d87.80( 6.17%) 0.0000 -0.0031 0.0260 -0.0035 -0.0023 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0519 0.9654 -0.0506 0.0168 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0461 0.1160 -0.1349 0.1670 133. (0.00143) RY*( 2) N 6 s( 0.00%)p 1.00( 96.37%)d 0.04( 3.63%) -0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0531 0.9199 -0.2958 -0.1648 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.1825 -0.0551 0.0000 -0.0000 0.0000 -0.0000 134. (0.00072) RY*( 3) N 6 s( 0.00%)p 1.00( 91.72%)d 0.09( 8.28%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0307 0.9111 0.2864 0.0642 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0193 0.0343 0.2845 0.0176 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 135. (0.00053) RY*( 4) N 6 s( 51.11%)p 0.15( 7.49%)d 0.81( 41.41%) 0.0000 -0.0100 0.6752 0.2330 -0.0266 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0378 -0.1290 0.0588 0.2310 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0000 -0.3334 0.0116 -0.5430 0.0893 136. (0.00048) RY*( 5) N 6 s( 0.00%)p 1.00( 57.64%)d 0.73( 42.36%) -0.0000 0.0000 0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0009 0.2572 0.6453 -0.3063 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.3644 0.5393 -0.0000 -0.0000 0.0000 -0.0000 137. (0.00024) RY*( 6) N 6 s( 0.00%)p 1.00( 0.14%)d99.99( 99.86%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.0038 -0.0360 -0.0113 -0.0025 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.4907 0.8704 -0.0115 -0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 138. (0.00017) RY*( 7) N 6 s( 10.44%)p 3.18( 33.19%)d 5.40( 56.37%) 0.0000 0.0191 -0.1116 0.2944 0.0700 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 -0.0000 0.0000 -0.0330 -0.1154 -0.5517 -0.1148 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.5558 0.0702 -0.3817 0.3227 139. (0.00008) RY*( 8) N 6 s( 37.00%)p 0.11( 4.13%)d 1.59( 58.87%) 140. (0.00006) RY*( 9) N 6 s( 0.00%)p 1.00( 92.91%)d 0.08( 7.09%) 141. (0.00003) RY*(10) N 6 s( 0.00%)p 1.00( 12.75%)d 6.84( 87.25%) 142. (0.00002) RY*(11) N 6 s( 3.63%)p17.45( 63.38%)d 9.08( 32.99%) 143. (0.00000) RY*(12) N 6 s( 7.93%)p11.36( 90.07%)d 0.25( 2.00%) 144. (0.00000) RY*(13) N 6 s( 0.00%)p 0.00( 0.00%)d 1.00(100.00%) 145. (0.00000) RY*(14) N 6 s( 88.53%)p 0.03( 2.40%)d 0.10( 9.07%) 146. (0.00000) RY*(15) N 6 s( 0.00%)p 1.00( 8.47%)d10.81( 91.53%) 147. (0.00000) RY*(16) N 6 s( 0.00%)p 1.00( 0.03%)d99.99( 99.97%) 148. (0.00000) RY*(17) N 6 s( 99.39%)p 0.00( 0.45%)d 0.00( 0.15%) 149. (0.00000) RY*(18) N 6 s( 0.00%)p 1.00( 40.75%)d 1.45( 59.25%) 150. (0.00000) RY*(19) N 6 s( 0.95%)p 4.76( 4.50%)d99.94( 94.55%) 151. (0.00000) RY*(20) N 6 s( 0.99%)p 1.16( 1.16%)d98.53( 97.85%) 152. (0.00000) RY*(21) N 6 s( 0.00%)p 1.00(100.00%)d 0.00( 0.00%) 153. (0.00000) RY*(22) N 6 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) 154. (0.00052) RY*( 1) H 7 s( 99.27%)p 0.01( 0.73%) 0.0029 0.9963 0.0027 0.0000 0.0717 0.0464 155. (0.00014) RY*( 2) H 7 s( 89.61%)p 0.12( 10.39%) 0.0039 -0.0237 0.9463 0.0000 0.0931 0.3086 156. (0.00015) RY*( 3) H 7 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 157. (0.00005) RY*( 4) H 7 s( 9.92%)p 9.08( 90.08%) 158. (0.00003) RY*( 5) H 7 s( 1.23%)p80.04( 98.77%) 159. (0.00063) RY*( 1) H 8 s( 99.28%)p 0.01( 0.72%) 0.0024 0.9964 0.0038 0.0000 0.0736 -0.0424 160. (0.00020) RY*( 2) H 8 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 161. (0.00016) RY*( 3) H 8 s( 94.66%)p 0.06( 5.34%) 0.0038 -0.0230 0.9726 0.0000 0.1724 -0.1540 162. (0.00004) RY*( 4) H 8 s( 3.63%)p26.52( 96.37%) 163. (0.00004) RY*( 5) H 8 s( 2.47%)p39.43( 97.53%) 164. (0.00051) RY*( 1) H 9 s( 99.03%)p 0.01( 0.97%) 0.0025 0.9951 0.0069 0.0000 0.0000 -0.0987 165. (0.00019) RY*( 2) H 9 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 166. (0.00016) RY*( 3) H 9 s( 93.74%)p 0.07( 6.26%) 0.0043 -0.0315 0.9677 0.0000 0.0000 -0.2502 167. (0.00004) RY*( 4) H 9 s( 0.00%)p 1.00(100.00%) 168. (0.00004) RY*( 5) H 9 s( 7.28%)p12.74( 92.72%) 169. (0.00063) RY*( 1) H 10 s( 99.28%)p 0.01( 0.72%) 0.0024 0.9964 0.0038 0.0000 -0.0736 -0.0424 170. (0.00020) RY*( 2) H 10 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 171. (0.00016) RY*( 3) H 10 s( 94.66%)p 0.06( 5.34%) 0.0038 -0.0230 0.9726 0.0000 -0.1724 -0.1540 172. (0.00004) RY*( 4) H 10 s( 3.63%)p26.52( 96.37%) 173. (0.00004) RY*( 5) H 10 s( 2.47%)p39.43( 97.53%) 174. (0.00052) RY*( 1) H 11 s( 99.27%)p 0.01( 0.73%) 0.0029 0.9963 0.0027 0.0000 -0.0717 0.0464 175. (0.00014) RY*( 2) H 11 s( 89.61%)p 0.12( 10.39%) 0.0039 -0.0237 0.9463 0.0000 -0.0931 0.3086 176. (0.00015) RY*( 3) H 11 s( 0.00%)p 1.00(100.00%) 0.0000 0.0000 0.0000 1.0000 0.0000 0.0000 177. (0.00005) RY*( 4) H 11 s( 9.92%)p 9.08( 90.08%) 178. (0.00003) RY*( 5) H 11 s( 1.23%)p80.04( 98.77%) 179. (0.02607) BD*( 1) C 1 - C 2 ( 50.81%) 0.7128* C 1 s( 38.85%)p 1.57( 61.05%)d 0.00( 0.10%) 0.0001 0.6233 -0.0069 -0.0039 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.0301 0.0405 -0.0032 0.0018 -0.7795 0.0133 0.0133 0.0005 0.0000 0.0000 0.0000 0.0000 -0.0036 0.0027 -0.0075 0.0099 0.0294 0.0012 ( 49.19%) -0.7014* C 2 s( 34.96%)p 1.86( 64.92%)d 0.00( 0.12%) -0.0000 0.5912 -0.0095 -0.0010 0.0004 0.0000 0.0000 0.0000 0.0000 0.0016 0.0379 -0.0055 0.0009 0.8044 -0.0232 -0.0100 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0068 -0.0001 -0.0136 0.0093 0.0289 0.0066 180. (0.01584) BD*( 1) C 1 - N 6 ( 59.22%) 0.7696* C 1 s( 31.83%)p 2.14( 68.05%)d 0.00( 0.12%) 0.0001 0.5634 -0.0291 0.0052 0.0004 0.0000 0.0000 0.0000 0.0000 0.7051 -0.0176 -0.0096 -0.0010 0.4218 -0.0710 0.0057 -0.0011 0.0000 0.0000 0.0000 0.0000 0.0180 0.0105 -0.0273 0.0027 0.0004 -0.0057 ( 40.78%) -0.6386* N 6 s( 35.73%)p 1.79( 63.93%)d 0.01( 0.34%) -0.0001 0.5975 -0.0159 0.0007 -0.0001 0.0000 0.0000 0.0000 0.0000 -0.7048 0.0341 0.0067 -0.0008 -0.3757 -0.0158 0.0043 -0.0002 0.0000 0.0000 0.0000 0.0000 0.0452 0.0070 -0.0310 -0.0014 0.0183 -0.0030 181. (0.37488) BD*( 2) C 1 - N 6 ( 58.90%) 0.7674* C 1 s( 0.00%)p 1.00( 99.94%)d 0.00( 0.06%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9994 0.0190 0.0159 0.0063 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0229 0.0023 -0.0000 0.0044 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 ( 41.10%) -0.6411* N 6 s( 0.00%)p 1.00( 99.67%)d 0.00( 0.33%) 0.0000 0.0000 0.0000 0.0000 0.0000 0.9982 -0.0180 0.0083 -0.0022 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0024 -0.0043 -0.0570 -0.0007 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 182. (0.02479) BD*( 1) C 1 - H 11 ( 40.25%) 0.6345* C 1 s( 29.26%)p 2.41( 70.67%)d 0.00( 0.07%) -0.0005 0.5404 0.0252 0.0000 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.7047 -0.0267 0.0018 0.0015 0.4576 0.0026 0.0014 -0.0015 -0.0000 -0.0000 -0.0000 -0.0000 -0.0222 -0.0019 -0.0102 -0.0038 -0.0067 0.0020 ( 59.75%) -0.7730* H 11 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0012 0.0009 -0.0000 0.0168 -0.0104 183. (0.01603) BD*( 1) C 2 - C 3 ( 50.07%) 0.7076* C 2 s( 35.69%)p 1.80( 64.18%)d 0.00( 0.12%) 0.0000 0.5973 -0.0146 0.0008 0.0003 0.0000 0.0000 0.0000 0.0000 0.6680 0.0033 -0.0127 0.0015 -0.4400 0.0433 -0.0002 0.0013 0.0000 0.0000 0.0000 0.0000 -0.0142 -0.0099 -0.0299 0.0030 0.0019 -0.0054 ( 49.93%) -0.7066* C 3 s( 35.57%)p 1.81( 64.32%)d 0.00( 0.11%) 0.0001 0.5963 -0.0130 -0.0001 0.0001 0.0000 0.0000 0.0000 0.0000 -0.7059 0.0361 0.0076 0.0005 0.3778 0.0261 -0.0091 0.0009 0.0000 0.0000 0.0000 0.0000 -0.0168 -0.0091 -0.0247 0.0006 0.0102 -0.0081 184. (0.31618) BD*( 2) C 2 - C 3 ( 47.86%) 0.6918* C 2 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9996 -0.0192 -0.0127 -0.0030 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0169 -0.0047 -0.0049 0.0030 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 ( 52.14%) -0.7220* C 3 s( 0.00%)p 1.00( 99.96%)d 0.00( 0.04%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9996 -0.0166 -0.0143 -0.0030 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0055 0.0058 -0.0178 -0.0030 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 185. (0.01393) BD*( 1) C 2 - H 10 ( 39.37%) 0.6274* C 2 s( 29.22%)p 2.42( 70.74%)d 0.00( 0.04%) -0.0004 0.5402 0.0192 0.0002 -0.0007 -0.0000 -0.0000 -0.0000 -0.0000 -0.7424 -0.0124 -0.0010 0.0022 -0.3950 -0.0060 -0.0014 0.0013 -0.0000 -0.0000 -0.0000 -0.0000 0.0137 0.0084 -0.0106 -0.0065 -0.0027 -0.0036 ( 60.63%) -0.7787* H 10 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0006 0.0009 -0.0000 0.0185 0.0096 186. (0.01603) BD*( 1) C 3 - C 4 ( 49.93%) 0.7066* C 3 s( 35.57%)p 1.81( 64.32%)d 0.00( 0.11%) -0.0001 -0.5963 0.0130 0.0001 -0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.7059 0.0361 0.0076 0.0005 -0.3778 -0.0261 0.0091 -0.0009 -0.0000 -0.0000 -0.0000 -0.0000 -0.0168 -0.0091 0.0247 -0.0006 -0.0102 0.0081 ( 50.07%) -0.7076* C 4 s( 35.69%)p 1.80( 64.18%)d 0.00( 0.12%) -0.0000 -0.5973 0.0146 -0.0008 -0.0003 -0.0000 -0.0000 -0.0000 -0.0000 0.6680 0.0033 -0.0127 0.0015 0.4400 -0.0433 0.0002 -0.0013 -0.0000 -0.0000 -0.0000 -0.0000 -0.0142 -0.0099 0.0299 -0.0030 -0.0019 0.0054 187. (0.01474) BD*( 1) C 3 - H 9 ( 39.48%) 0.6283* C 3 s( 28.75%)p 2.48( 71.20%)d 0.00( 0.05%) -0.0004 0.5358 0.0215 -0.0001 -0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.8436 -0.0182 -0.0033 0.0012 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0000 0.0029 0.0011 0.0181 0.0111 ( 60.52%) -0.7780* H 9 s( 99.96%)p 0.00( 0.04%) 0.9998 -0.0005 0.0010 -0.0000 -0.0000 0.0209 188. (0.02607) BD*( 1) C 4 - C 5 ( 49.19%) 0.7014* C 4 s( 34.96%)p 1.86( 64.92%)d 0.00( 0.12%) 0.0000 -0.5912 0.0095 0.0010 -0.0004 -0.0000 -0.0000 -0.0000 -0.0000 0.0016 0.0379 -0.0055 0.0009 -0.8044 0.0232 0.0100 0.0002 -0.0000 -0.0000 -0.0000 -0.0000 0.0068 -0.0001 0.0136 -0.0093 -0.0289 -0.0066 ( 50.81%) -0.7128* C 5 s( 38.85%)p 1.57( 61.05%)d 0.00( 0.10%) -0.0001 -0.6233 0.0069 0.0039 0.0001 -0.0000 -0.0000 -0.0000 -0.0000 -0.0301 0.0405 -0.0032 0.0018 0.7795 -0.0133 -0.0133 -0.0005 -0.0000 -0.0000 -0.0000 -0.0000 -0.0036 0.0027 0.0075 -0.0099 -0.0294 -0.0012 189. (0.30288) BD*( 2) C 4 - C 5 ( 46.76%) 0.6838* C 4 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9994 -0.0256 -0.0141 -0.0037 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0121 0.0008 -0.0130 -0.0038 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 ( 53.24%) -0.7296* C 5 s( 0.00%)p 1.00( 99.97%)d 0.00( 0.03%) -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.9994 -0.0267 -0.0128 -0.0051 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 0.0087 0.0007 0.0158 0.0019 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 -0.0000 190. (0.01393) BD*( 1) C 4 - H 8 ( 39.37%) 0.6274* C 4 s( 29.22%)p 2.42( 70.74%)d 0.00( 0.04%) 0.0004 -0.5402 -0.0192 -0.0002 0.0007 -0.0000 -0.0000 -0.0000 -0.0000 -0.7424 -0.0124 -0.0010 0.0022 0.3950 0.0060 0.0014 -0.0013 -0.0000 -0.0000 -0.0000 -0.0000 0.0137 0.0084 0.0106 0.0065 0.0027 0.0036 ( 60.63%) -0.7787* H 8 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0006 -0.0009 -0.0000 0.0185 -0.0096 191. (0.01584) BD*( 1) C 5 - N 6 ( 59.22%) 0.7696* C 5 s( 31.83%)p 2.14( 68.05%)d 0.00( 0.12%) 0.0001 0.5634 -0.0291 0.0052 0.0004 0.0000 0.0000 0.0000 0.0000 -0.7051 0.0176 0.0096 0.0010 0.4218 -0.0710 0.0057 -0.0011 0.0000 0.0000 0.0000 0.0000 -0.0180 -0.0105 -0.0273 0.0027 0.0004 -0.0057 ( 40.78%) -0.6386* N 6 s( 35.73%)p 1.79( 63.93%)d 0.01( 0.34%) -0.0001 0.5975 -0.0159 0.0007 -0.0001 0.0000 0.0000 0.0000 0.0000 0.7048 -0.0341 -0.0067 0.0008 -0.3757 -0.0158 0.0043 -0.0002 0.0000 0.0000 0.0000 0.0000 -0.0452 -0.0070 -0.0310 -0.0014 0.0183 -0.0030 192. (0.02479) BD*( 1) C 5 - H 7 ( 40.25%) 0.6345* C 5 s( 29.26%)p 2.41( 70.67%)d 0.00( 0.07%) 0.0005 -0.5404 -0.0252 -0.0000 0.0002 -0.0000 -0.0000 -0.0000 -0.0000 -0.7047 -0.0267 0.0018 0.0015 -0.4576 -0.0026 -0.0014 0.0015 -0.0000 -0.0000 -0.0000 -0.0000 -0.0222 -0.0019 0.0102 0.0038 0.0067 -0.0020 ( 59.75%) -0.7730* H 7 s( 99.96%)p 0.00( 0.04%) -0.9998 0.0012 -0.0009 -0.0000 0.0168 0.0104 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 2 177.8 270.0 179.3 90.0 2.9 -- -- -- 2. BD ( 1) C 1 - N 6 58.7 90.0 62.3 90.0 3.6 120.2 270.0 1.1 3. BD ( 2) C 1 - N 6 58.7 90.0 90.0 0.0 90.0 90.0 0.0 90.0 6. BD ( 2) C 2 - C 3 120.7 90.0 90.0 0.0 90.0 90.0 0.0 90.0 10. BD ( 1) C 4 - C 5 2.2 270.0 -- -- -- 179.3 270.0 2.9 11. BD ( 2) C 4 - C 5 2.2 270.0 90.0 0.0 90.0 90.0 0.0 90.0 13. BD ( 1) C 5 - N 6 58.7 270.0 62.3 270.0 3.6 120.2 90.0 1.1 21. LP ( 1) N 6 -- -- 0.0 0.0 -- -- -- -- 181. BD*( 2) C 1 - N 6 58.7 90.0 90.0 0.0 90.0 90.0 0.0 90.0 184. BD*( 2) C 2 - C 3 120.7 90.0 90.0 0.0 90.0 90.0 0.0 90.0 189. BD*( 2) C 4 - C 5 2.2 270.0 90.0 0.0 90.0 90.0 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 / 66. RY*( 1) C 3 1.34 2.00 0.046 1. BD ( 1) C 1 - C 2 / 67. RY*( 2) C 3 1.31 2.02 0.046 1. BD ( 1) C 1 - C 2 /132. RY*( 1) N 6 1.04 1.60 0.036 1. BD ( 1) C 1 - C 2 /133. RY*( 2) N 6 0.98 1.87 0.038 1. BD ( 1) C 1 - C 2 /180. BD*( 1) C 1 - N 6 1.53 1.25 0.039 1. BD ( 1) C 1 - C 2 /182. BD*( 1) C 1 - H 11 0.91 1.13 0.029 1. BD ( 1) C 1 - C 2 /183. BD*( 1) C 2 - C 3 2.53 1.28 0.051 1. BD ( 1) C 1 - C 2 /185. BD*( 1) C 2 - H 10 0.98 1.14 0.030 1. BD ( 1) C 1 - C 2 /187. BD*( 1) C 3 - H 9 2.84 1.14 0.051 2. BD ( 1) C 1 - N 6 / 45. RY*( 2) C 2 0.93 2.28 0.041 2. BD ( 1) C 1 - N 6 /111. RY*( 2) C 5 3.90 1.98 0.079 2. BD ( 1) C 1 - N 6 /179. BD*( 1) C 1 - C 2 1.74 1.38 0.044 2. BD ( 1) C 1 - N 6 /185. BD*( 1) C 2 - H 10 1.53 1.25 0.039 2. BD ( 1) C 1 - N 6 /191. BD*( 1) C 5 - N 6 0.85 1.36 0.030 2. BD ( 1) C 1 - N 6 /192. BD*( 1) C 5 - H 7 2.27 1.24 0.048 3. BD ( 2) C 1 - N 6 /112. RY*( 3) C 5 2.26 1.01 0.046 3. BD ( 2) C 1 - N 6 /184. BD*( 2) C 2 - C 3 13.48 0.32 0.059 3. BD ( 2) C 1 - N 6 /189. BD*( 2) C 4 - C 5 26.50 0.32 0.082 4. BD ( 1) C 1 - H 11 / 44. RY*( 1) C 2 1.47 1.85 0.047 4. BD ( 1) C 1 - H 11 /132. RY*( 1) N 6 1.37 1.40 0.039 4. BD ( 1) C 1 - H 11 /183. BD*( 1) C 2 - C 3 3.72 1.08 0.057 4. BD ( 1) C 1 - H 11 /191. BD*( 1) C 5 - N 6 4.87 1.06 0.064 5. BD ( 1) C 2 - C 3 / 22. RY*( 1) C 1 2.22 1.87 0.058 5. BD ( 1) C 2 - C 3 / 25. RY*( 4) C 1 0.98 2.09 0.041 5. BD ( 1) C 2 - C 3 / 88. RY*( 1) C 4 1.72 2.04 0.053 5. BD ( 1) C 2 - C 3 / 89. RY*( 2) C 4 0.82 2.17 0.038 5. BD ( 1) C 2 - C 3 /179. BD*( 1) C 1 - C 2 2.40 1.27 0.049 5. BD ( 1) C 2 - C 3 /182. BD*( 1) C 1 - H 11 2.35 1.13 0.046 5. BD ( 1) C 2 - C 3 /185. BD*( 1) C 2 - H 10 1.07 1.14 0.031 5. BD ( 1) C 2 - C 3 /186. BD*( 1) C 3 - C 4 2.70 1.27 0.052 5. BD ( 1) C 2 - C 3 /187. BD*( 1) C 3 - H 9 0.93 1.14 0.029 5. BD ( 1) C 2 - C 3 /190. BD*( 1) C 4 - H 8 2.75 1.14 0.050 6. BD ( 2) C 2 - C 3 / 27. RY*( 6) C 1 0.59 2.47 0.038 6. BD ( 2) C 2 - C 3 / 91. RY*( 4) C 4 1.57 0.78 0.034 6. BD ( 2) C 2 - C 3 /181. BD*( 2) C 1 - N 6 27.84 0.27 0.077 6. BD ( 2) C 2 - C 3 /189. BD*( 2) C 4 - C 5 17.54 0.28 0.064 7. BD ( 1) C 2 - H 10 / 23. RY*( 2) C 1 1.71 1.69 0.048 7. BD ( 1) C 2 - H 10 / 66. RY*( 1) C 3 1.45 1.81 0.046 7. BD ( 1) C 2 - H 10 /179. BD*( 1) C 1 - C 2 0.56 1.09 0.022 7. BD ( 1) C 2 - H 10 /180. BD*( 1) C 1 - N 6 4.46 1.06 0.062 7. BD ( 1) C 2 - H 10 /183. BD*( 1) C 2 - C 3 0.67 1.09 0.024 7. BD ( 1) C 2 - H 10 /186. BD*( 1) C 3 - C 4 3.54 1.09 0.055 8. BD ( 1) C 3 - C 4 / 44. RY*( 1) C 2 1.72 2.04 0.053 8. BD ( 1) C 3 - C 4 / 45. RY*( 2) C 2 0.82 2.17 0.038 8. BD ( 1) C 3 - C 4 /110. RY*( 1) C 5 2.22 1.87 0.058 8. BD ( 1) C 3 - C 4 /113. RY*( 4) C 5 0.98 2.09 0.041 8. BD ( 1) C 3 - C 4 /183. BD*( 1) C 2 - C 3 2.70 1.27 0.052 8. BD ( 1) C 3 - C 4 /185. BD*( 1) C 2 - H 10 2.75 1.14 0.050 8. BD ( 1) C 3 - C 4 /187. BD*( 1) C 3 - H 9 0.93 1.14 0.029 8. BD ( 1) C 3 - C 4 /188. BD*( 1) C 4 - C 5 2.40 1.27 0.049 8. BD ( 1) C 3 - C 4 /190. BD*( 1) C 4 - H 8 1.07 1.14 0.031 8. BD ( 1) C 3 - C 4 /192. BD*( 1) C 5 - H 7 2.35 1.13 0.046 9. BD ( 1) C 3 - H 9 / 44. RY*( 1) C 2 1.42 1.86 0.046 9. BD ( 1) C 3 - H 9 / 45. RY*( 2) C 2 0.57 1.99 0.030 9. BD ( 1) C 3 - H 9 / 88. RY*( 1) C 4 1.42 1.86 0.046 9. BD ( 1) C 3 - H 9 / 89. RY*( 2) C 4 0.57 1.99 0.030 9. BD ( 1) C 3 - H 9 /179. BD*( 1) C 1 - C 2 3.42 1.09 0.055 9. BD ( 1) C 3 - H 9 /183. BD*( 1) C 2 - C 3 0.59 1.09 0.023 9. BD ( 1) C 3 - H 9 /186. BD*( 1) C 3 - C 4 0.59 1.09 0.023 9. BD ( 1) C 3 - H 9 /188. BD*( 1) C 4 - C 5 3.42 1.09 0.055 10. BD ( 1) C 4 - C 5 / 66. RY*( 1) C 3 1.34 2.00 0.046 10. BD ( 1) C 4 - C 5 / 67. RY*( 2) C 3 1.31 2.02 0.046 10. BD ( 1) C 4 - C 5 /132. RY*( 1) N 6 1.04 1.60 0.036 10. BD ( 1) C 4 - C 5 /133. RY*( 2) N 6 0.98 1.87 0.038 10. BD ( 1) C 4 - C 5 /186. BD*( 1) C 3 - C 4 2.53 1.28 0.051 10. BD ( 1) C 4 - C 5 /187. BD*( 1) C 3 - H 9 2.84 1.14 0.051 10. BD ( 1) C 4 - C 5 /190. BD*( 1) C 4 - H 8 0.98 1.14 0.030 10. BD ( 1) C 4 - C 5 /191. BD*( 1) C 5 - N 6 1.53 1.25 0.039 10. BD ( 1) C 4 - C 5 /192. BD*( 1) C 5 - H 7 0.91 1.13 0.029 11. BD ( 2) C 4 - C 5 / 70. RY*( 5) C 3 0.76 0.80 0.024 11. BD ( 2) C 4 - C 5 /134. RY*( 3) N 6 0.82 0.69 0.023 11. BD ( 2) C 4 - C 5 /181. BD*( 2) C 1 - N 6 17.41 0.27 0.061 11. BD ( 2) C 4 - C 5 /184. BD*( 2) C 2 - C 3 22.87 0.28 0.072 12. BD ( 1) C 4 - H 8 / 66. RY*( 1) C 3 1.45 1.81 0.046 12. BD ( 1) C 4 - H 8 /111. RY*( 2) C 5 1.71 1.69 0.048 12. BD ( 1) C 4 - H 8 /183. BD*( 1) C 2 - C 3 3.54 1.09 0.055 12. BD ( 1) C 4 - H 8 /186. BD*( 1) C 3 - C 4 0.67 1.09 0.024 12. BD ( 1) C 4 - H 8 /188. BD*( 1) C 4 - C 5 0.56 1.09 0.022 12. BD ( 1) C 4 - H 8 /191. BD*( 1) C 5 - N 6 4.46 1.06 0.062 13. BD ( 1) C 5 - N 6 / 23. RY*( 2) C 1 3.90 1.98 0.079 13. BD ( 1) C 5 - N 6 / 89. RY*( 2) C 4 0.93 2.28 0.041 13. BD ( 1) C 5 - N 6 /180. BD*( 1) C 1 - N 6 0.85 1.36 0.030 13. BD ( 1) C 5 - N 6 /182. BD*( 1) C 1 - H 11 2.27 1.24 0.048 13. BD ( 1) C 5 - N 6 /188. BD*( 1) C 4 - C 5 1.74 1.38 0.044 13. BD ( 1) C 5 - N 6 /190. BD*( 1) C 4 - H 8 1.53 1.25 0.039 14. BD ( 1) C 5 - H 7 / 88. RY*( 1) C 4 1.47 1.85 0.047 14. BD ( 1) C 5 - H 7 /132. RY*( 1) N 6 1.37 1.40 0.039 14. BD ( 1) C 5 - H 7 /180. BD*( 1) C 1 - N 6 4.87 1.06 0.064 14. BD ( 1) C 5 - H 7 /186. BD*( 1) C 3 - C 4 3.72 1.08 0.057 15. CR ( 1) C 1 / 45. RY*( 2) C 2 1.23 11.53 0.106 15. CR ( 1) C 1 /133. RY*( 2) N 6 0.94 11.23 0.092 15. CR ( 1) C 1 /183. BD*( 1) C 2 - C 3 0.68 10.63 0.076 15. CR ( 1) C 1 /191. BD*( 1) C 5 - N 6 1.33 10.61 0.107 16. CR ( 1) C 2 / 23. RY*( 2) C 1 1.49 11.20 0.115 16. CR ( 1) C 2 / 67. RY*( 2) C 3 1.53 11.35 0.117 16. CR ( 1) C 2 /180. BD*( 1) C 1 - N 6 0.58 10.57 0.070 16. CR ( 1) C 2 /186. BD*( 1) C 3 - C 4 0.65 10.60 0.075 17. CR ( 1) C 3 / 45. RY*( 2) C 2 1.59 11.51 0.121 17. CR ( 1) C 3 / 89. RY*( 2) C 4 1.59 11.51 0.121 17. CR ( 1) C 3 /179. BD*( 1) C 1 - C 2 0.58 10.60 0.070 17. CR ( 1) C 3 /188. BD*( 1) C 4 - C 5 0.58 10.60 0.070 18. CR ( 1) C 4 / 67. RY*( 2) C 3 1.53 11.35 0.117 18. CR ( 1) C 4 /111. RY*( 2) C 5 1.49 11.20 0.115 18. CR ( 1) C 4 /183. BD*( 1) C 2 - C 3 0.65 10.60 0.075 18. CR ( 1) C 4 /191. BD*( 1) C 5 - N 6 0.58 10.57 0.070 19. CR ( 1) C 5 / 89. RY*( 2) C 4 1.23 11.53 0.106 19. CR ( 1) C 5 /133. RY*( 2) N 6 0.94 11.23 0.092 19. CR ( 1) C 5 /180. BD*( 1) C 1 - N 6 1.33 10.61 0.107 19. CR ( 1) C 5 /186. BD*( 1) C 3 - C 4 0.68 10.63 0.076 20. CR ( 1) N 6 / 22. RY*( 1) C 1 1.89 15.28 0.152 20. CR ( 1) N 6 / 23. RY*( 2) C 1 0.53 15.28 0.080 20. CR ( 1) N 6 /110. RY*( 1) C 5 1.89 15.28 0.152 20. CR ( 1) N 6 /111. RY*( 2) C 5 0.53 15.28 0.080 20. CR ( 1) N 6 /179. BD*( 1) C 1 - C 2 0.64 14.68 0.087 20. CR ( 1) N 6 /188. BD*( 1) C 4 - C 5 0.64 14.68 0.087 21. LP ( 1) N 6 / 22. RY*( 1) C 1 3.90 1.50 0.070 21. LP ( 1) N 6 /110. RY*( 1) C 5 3.90 1.50 0.070 21. LP ( 1) N 6 /145. RY*( 14) N 6 0.71 1.64 0.031 21. LP ( 1) N 6 /179. BD*( 1) C 1 - C 2 9.52 0.90 0.084 21. LP ( 1) N 6 /182. BD*( 1) C 1 - H 11 4.47 0.76 0.053 21. LP ( 1) N 6 /188. BD*( 1) C 4 - C 5 9.52 0.90 0.084 21. LP ( 1) N 6 /192. BD*( 1) C 5 - H 7 4.47 0.76 0.053 181. BD*( 2) C 1 - N 6 / 24. RY*( 3) C 1 2.62 0.87 0.098 181. BD*( 2) C 1 - N 6 /134. RY*( 3) N 6 1.99 0.43 0.060 181. BD*( 2) C 1 - N 6 /184. BD*( 2) C 2 - C 3 214.53 0.01 0.086 181. BD*( 2) C 1 - N 6 /189. BD*( 2) C 4 - C 5 163.63 0.02 0.080 184. BD*( 2) C 2 - C 3 / 47. RY*( 4) C 2 2.14 0.56 0.077 184. BD*( 2) C 2 - C 3 / 58. RY*( 15) C 2 0.68 0.42 0.038 184. BD*( 2) C 2 - C 3 / 70. RY*( 5) C 3 2.24 0.52 0.076 184. BD*( 2) C 2 - C 3 / 82. RY*( 17) C 3 0.52 0.36 0.031 184. BD*( 2) C 2 - C 3 / 91. RY*( 4) C 4 0.54 0.50 0.037 189. BD*( 2) C 4 - C 5 / 91. RY*( 4) C 4 1.00 0.50 0.051 189. BD*( 2) C 4 - C 5 /102. RY*( 15) C 4 0.69 0.39 0.038 189. BD*( 2) C 4 - C 5 /112. RY*( 3) C 5 0.81 0.70 0.055 Natural Bond Orbitals (Summary): Principal Delocalizations NBO Occupancy Energy (geminal,vicinal,remote) ==================================================================================== Molecular unit 1 (C5H5N) 1. BD ( 1) C 1 - C 2 1.98478 -0.71886 187(v),183(g),180(g),66(v) 67(v),132(v),133(v),185(g) 182(g) 2. BD ( 1) C 1 - N 6 1.98635 -0.82896 111(v),192(v),179(g),185(v) 45(v),191(g) 3. BD ( 2) C 1 - N 6 1.71367 -0.30277 189(v),184(v),112(v) 4. BD ( 1) C 1 - H 11 1.98137 -0.52505 191(v),183(v),44(v),132(v) 5. BD ( 1) C 2 - C 3 1.97939 -0.71675 190(v),186(g),179(g),182(v) 22(v),88(v),185(g),25(v) 187(g),89(v) 6. BD ( 2) C 2 - C 3 1.64985 -0.26775 181(v),189(v),91(v),27(v) 7. BD ( 1) C 2 - H 10 1.97936 -0.53236 180(v),186(v),23(v),66(v) 183(g),179(g) 8. BD ( 1) C 3 - C 4 1.97939 -0.71675 185(v),183(g),188(g),192(v) 110(v),44(v),190(g),113(v) 187(g),45(v) 9. BD ( 1) C 3 - H 9 1.98046 -0.53556 179(v),188(v),44(v),88(v) 183(g),186(g),45(v),89(v) 10. BD ( 1) C 4 - C 5 1.98478 -0.71886 187(v),186(g),191(g),66(v) 67(v),132(v),133(v),190(g) 192(g) 11. BD ( 2) C 4 - C 5 1.63398 -0.26612 184(v),181(v),134(v),70(v) 12. BD ( 1) C 4 - H 8 1.97936 -0.53236 191(v),183(v),111(v),66(v) 186(g),188(g) 13. BD ( 1) C 5 - N 6 1.98635 -0.82896 23(v),182(v),188(g),190(v) 89(v),180(g) 14. BD ( 1) C 5 - H 7 1.98137 -0.52505 180(v),186(v),88(v),132(v) 15. CR ( 1) C 1 1.99921 -10.07477 191(v),45(v),133(v),183(v) 16. CR ( 1) C 2 1.99914 -10.04336 67(v),23(v),186(v),180(v) 17. CR ( 1) C 3 1.99915 -10.05131 45(v),89(v),179(v),188(v) 18. CR ( 1) C 4 1.99914 -10.04336 67(v),111(v),183(v),191(v) 19. CR ( 1) C 5 1.99921 -10.07477 180(v),89(v),133(v),186(v) 20. CR ( 1) N 6 1.99944 -14.12615 22(v),110(v),179(v),188(v) 23(v),111(v) 21. LP ( 1) N 6 1.91910 -0.34214 179(v),188(v),182(v),192(v) 22(v),110(v),145(g) 22. RY*( 1) C 1 0.00784 1.15616 23. RY*( 2) C 1 0.00583 1.15328 24. RY*( 3) C 1 0.00131 0.86510 25. RY*( 4) C 1 0.00110 1.36927 26. RY*( 5) C 1 0.00053 1.28687 27. RY*( 6) C 1 0.00048 2.20415 28. RY*( 7) C 1 0.00022 2.61851 29. RY*( 8) C 1 0.00011 1.79423 30. RY*( 9) C 1 0.00008 1.85152 31. RY*( 10) C 1 0.00004 4.76103 32. RY*( 11) C 1 0.00001 3.01224 33. RY*( 12) C 1 0.00001 2.36631 34. RY*( 13) C 1 0.00000 1.61594 35. RY*( 14) C 1 0.00000 2.35032 36. RY*( 15) C 1 0.00000 18.72100 37. RY*( 16) C 1 0.00000 2.12371 38. RY*( 17) C 1 0.00000 0.93196 39. RY*( 18) C 1 0.00000 2.73523 40. RY*( 19) C 1 0.00001 2.10580 41. RY*( 20) C 1 0.00001 2.60731 42. RY*( 21) C 1 0.00000 0.33817 43. RY*( 22) C 1 0.00001 2.85581 44. RY*( 1) C 2 0.00552 1.32294 45. RY*( 2) C 2 0.00175 1.45551 46. RY*( 3) C 2 0.00105 1.33232 47. RY*( 4) C 2 0.00095 0.57081 48. RY*( 5) C 2 0.00063 1.44002 49. RY*( 6) C 2 0.00026 2.68491 50. RY*( 7) C 2 0.00014 1.95458 51. RY*( 8) C 2 0.00013 1.44566 52. RY*( 9) C 2 0.00008 1.37948 53. RY*( 10) C 2 0.00004 2.67906 54. RY*( 11) C 2 0.00000 20.86152 55. RY*( 12) C 2 0.00001 2.26632 56. RY*( 13) C 2 0.00000 1.21799 57. RY*( 14) C 2 0.00000 2.54105 58. RY*( 15) C 2 0.00000 0.43888 59. RY*( 16) C 2 0.00000 2.03888 60. RY*( 17) C 2 0.00001 2.92443 61. RY*( 18) C 2 0.00000 2.70130 62. RY*( 19) C 2 0.00000 2.75699 63. RY*( 20) C 2 0.00000 3.38968 64. RY*( 21) C 2 0.00001 2.01527 65. RY*( 22) C 2 0.00000 2.36009 66. RY*( 1) C 3 0.00681 1.27666 67. RY*( 2) C 3 0.00222 1.30532 68. RY*( 3) C 3 0.00079 1.40371 69. RY*( 4) C 3 0.00066 1.41029 70. RY*( 5) C 3 0.00052 0.53155 71. RY*( 6) C 3 0.00037 3.05245 72. RY*( 7) C 3 0.00015 3.08149 73. RY*( 8) C 3 0.00011 1.69855 74. RY*( 9) C 3 0.00007 1.33076 75. RY*( 10) C 3 0.00006 2.06505 76. RY*( 11) C 3 0.00002 3.20472 77. RY*( 12) C 3 0.00000 2.80603 78. RY*( 13) C 3 0.00000 1.32776 79. RY*( 14) C 3 0.00000 20.20290 80. RY*( 15) C 3 0.00000 1.13960 81. RY*( 16) C 3 0.00000 3.04075 82. RY*( 17) C 3 0.00000 0.37297 83. RY*( 18) C 3 0.00000 2.18766 84. RY*( 19) C 3 0.00000 2.74771 85. RY*( 20) C 3 0.00000 3.22957 86. RY*( 21) C 3 0.00000 0.62790 87. RY*( 22) C 3 0.00000 3.41752 88. RY*( 1) C 4 0.00552 1.32294 89. RY*( 2) C 4 0.00175 1.45551 90. RY*( 3) C 4 0.00105 1.33232 91. RY*( 4) C 4 0.00088 0.51312 92. RY*( 5) C 4 0.00063 1.44002 93. RY*( 6) C 4 0.00028 2.74330 94. RY*( 7) C 4 0.00014 1.95458 95. RY*( 8) C 4 0.00013 1.44567 96. RY*( 9) C 4 0.00008 1.37948 97. RY*( 10) C 4 0.00004 2.67906 98. RY*( 11) C 4 0.00000 20.86153 99. RY*( 12) C 4 0.00001 2.26632 100. RY*( 13) C 4 0.00000 1.23945 101. RY*( 14) C 4 0.00000 2.54598 102. RY*( 15) C 4 0.00000 0.40789 103. RY*( 16) C 4 0.00000 2.04271 104. RY*( 17) C 4 0.00001 2.92442 105. RY*( 18) C 4 0.00000 2.70130 106. RY*( 19) C 4 0.00000 2.75778 107. RY*( 20) C 4 0.00000 3.38968 108. RY*( 21) C 4 0.00001 2.01527 109. RY*( 22) C 4 0.00000 2.36009 110. RY*( 1) C 5 0.00784 1.15616 111. RY*( 2) C 5 0.00583 1.15328 112. RY*( 3) C 5 0.00114 0.71191 113. RY*( 4) C 5 0.00110 1.36927 114. RY*( 5) C 5 0.00053 1.28687 115. RY*( 6) C 5 0.00051 2.35892 116. RY*( 7) C 5 0.00022 2.61851 117. RY*( 8) C 5 0.00011 1.79423 118. RY*( 9) C 5 0.00008 1.85152 119. RY*( 10) C 5 0.00004 4.76103 120. RY*( 11) C 5 0.00001 3.00979 121. RY*( 12) C 5 0.00001 2.36628 122. RY*( 13) C 5 0.00000 1.63370 123. RY*( 14) C 5 0.00000 2.33758 124. RY*( 15) C 5 0.00000 18.72105 125. RY*( 16) C 5 0.00000 2.11575 126. RY*( 17) C 5 0.00000 0.93300 127. RY*( 18) C 5 0.00000 2.73804 128. RY*( 19) C 5 0.00001 2.10607 129. RY*( 20) C 5 0.00001 2.60841 130. RY*( 21) C 5 0.00000 0.33830 131. RY*( 22) C 5 0.00001 2.85582 132. RY*( 1) N 6 0.00654 0.87821 133. RY*( 2) N 6 0.00143 1.15120 134. RY*( 3) N 6 0.00072 0.42789 135. RY*( 4) N 6 0.00053 1.64243 136. RY*( 5) N 6 0.00048 2.58341 137. RY*( 6) N 6 0.00024 4.29657 138. RY*( 7) N 6 0.00017 1.82759 139. RY*( 8) N 6 0.00008 1.70482 140. RY*( 9) N 6 0.00006 3.44008 141. RY*( 10) N 6 0.00003 2.76640 142. RY*( 11) N 6 0.00002 1.08489 143. RY*( 12) N 6 0.00000 3.96640 144. RY*( 13) N 6 0.00000 2.09622 145. RY*( 14) N 6 0.00000 1.30134 146. RY*( 15) N 6 0.00000 1.26820 147. RY*( 16) N 6 0.00000 4.93209 148. RY*( 17) N 6 0.00000 35.28818 149. RY*( 18) N 6 0.00000 3.86702 150. RY*( 19) N 6 0.00000 4.42053 151. RY*( 20) N 6 0.00000 4.95650 152. RY*( 21) N 6 0.00000 0.82445 153. RY*( 22) N 6 0.00000 3.82933 154. RY*( 1) H 7 0.00052 0.92569 155. RY*( 2) H 7 0.00014 2.28746 156. RY*( 3) H 7 0.00015 1.88545 157. RY*( 4) H 7 0.00005 2.50270 158. RY*( 5) H 7 0.00003 2.68857 159. RY*( 1) H 8 0.00063 1.07400 160. RY*( 2) H 8 0.00020 1.91418 161. RY*( 3) H 8 0.00016 2.08566 162. RY*( 4) H 8 0.00004 2.70063 163. RY*( 5) H 8 0.00004 2.53764 164. RY*( 1) H 9 0.00051 1.08190 165. RY*( 2) H 9 0.00019 1.90077 166. RY*( 3) H 9 0.00016 2.12254 167. RY*( 4) H 9 0.00004 2.52093 168. RY*( 5) H 9 0.00004 2.64808 169. RY*( 1) H 10 0.00063 1.07400 170. RY*( 2) H 10 0.00020 1.91418 171. RY*( 3) H 10 0.00016 2.08566 172. RY*( 4) H 10 0.00004 2.70063 173. RY*( 5) H 10 0.00004 2.53764 174. RY*( 1) H 11 0.00052 0.92569 175. RY*( 2) H 11 0.00014 2.28746 176. RY*( 3) H 11 0.00015 1.88545 177. RY*( 4) H 11 0.00005 2.50270 178. RY*( 5) H 11 0.00003 2.68857 179. BD*( 1) C 1 - C 2 0.02607 0.55322 180. BD*( 1) C 1 - N 6 0.01584 0.53142 181. BD*( 2) C 1 - N 6 0.37488 -0.00059 184(v),189(v),24(g),134(g) 182. BD*( 1) C 1 - H 11 0.02479 0.41323 183. BD*( 1) C 2 - C 3 0.01603 0.55791 184. BD*( 2) C 2 - C 3 0.31618 0.01425 189(v),181(v),70(g),47(g) 58(g),91(v),82(g) 185. BD*( 1) C 2 - H 10 0.01393 0.42169 186. BD*( 1) C 3 - C 4 0.01603 0.55791 187. BD*( 1) C 3 - H 9 0.01474 0.42025 188. BD*( 1) C 4 - C 5 0.02607 0.55322 189. BD*( 2) C 4 - C 5 0.30288 0.01606 184(v),181(v),91(g),112(g) 102(g) 190. BD*( 1) C 4 - H 8 0.01393 0.42169 191. BD*( 1) C 5 - N 6 0.01584 0.53142 192. BD*( 1) C 5 - H 7 0.02479 0.41323 ------------------------------- Total Lewis 40.71486 ( 96.9401%) Valence non-Lewis 1.20201 ( 2.8619%) Rydberg non-Lewis 0.08312 ( 0.1979%) ------------------------------- Total unit 1 42.00000 (100.0000%) Charge unit 1 0.00000 Unable to Open any file for archive entry. 1\1\GINC-COMPUTE-0-1\SP\RB3LYP\6-311+G(2d,p)\C5H5N1\ESSELMAN\04-Apr-20 25\0\\#N B3LYP/6-311+G(2d,p) SP GFINPUT POP=(FULL,NBORead) Geom=Connec tivity\\C5H5N pyridine\\0,1\C\C,1,1.391219449\C,2,1.389196245,1,118.50 7022\C,3,1.389196245,2,118.5538802,1,0.,0\C,4,1.391219449,3,118.507022 ,2,0.,0\N,1,1.335049615,2,123.5426221,3,0.,0\H,5,1.08589845,4,120.3454 298,3,180.,0\H,4,1.083061681,3,121.2740438,2,180.,0\H,3,1.083716,2,120 .7230599,1,180.,0\H,2,1.083061681,1,120.2189342,6,180.,0\H,1,1.0858984 5,2,120.3454298,3,180.,0\\Version=ES64L-G16RevC.01\State=1-A1\HF=-248. 3579442\RMSD=9.741e-09\Dipole=0.0351724,0.,0.9089299\Quadrupole=3.8884 826,-2.4611904,-1.4272922,0.,-0.2060101,0.\PG=C02V [C2(H1C1N1),SGV(C4H 4)]\\@ The archive entry for this job was punched. COMMON SENSE IS NOT SO COMMON. -- VOLTAIRE Job cpu time: 0 days 0 hours 0 minutes 30.8 seconds. Elapsed time: 0 days 0 hours 0 minutes 31.0 seconds. File lengths (MBytes): RWF= 25 Int= 0 D2E= 0 Chk= 3 Scr= 1 Normal termination of Gaussian 16 at Fri Apr 4 10:55:51 2025.