Entering Gaussian System, Link 0=g09 Input=PH3.inp Output=PH3.out Initial command: /share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42959/Gau-133993.inp" -scrdir="/mnt/beegfs/tmpdir/42959/" Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 133994. Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2013, Gaussian, Inc. All Rights Reserved. This is part of the Gaussian(R) 09 program. It is based on 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 09, Revision D.01, M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H. P. Hratchian, A. F. Izmaylov, J. Bloino, G. Zheng, J. L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J. A. Montgomery, Jr., J. E. Peralta, F. Ogliaro, M. Bearpark, J. J. Heyd, E. Brothers, K. N. Kudin, V. N. Staroverov, T. Keith, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J. C. Burant, S. S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J. M. Millam, M. Klene, J. E. Knox, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, R. L. Martin, K. Morokuma, V. G. Zakrzewski, G. A. Voth, P. Salvador, J. J. Dannenberg, S. Dapprich, A. D. Daniels, O. Farkas, J. B. Foresman, J. V. Ortiz, J. Cioslowski, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2013. ****************************************** Gaussian 09: ES64L-G09RevD.01 24-Apr-2013 5-Apr-2019 ****************************************** %nproc=24 Will use up to 24 processors via shared memory. %mem=100GB ----------------------------------------- #p ROCCSD(T) aug-cc-pVTZ pop=full gfprint ----------------------------------------- 1/38=1/1; 2/12=2,17=6,18=5,40=1/2; 3/5=16,6=1,7=10,11=2,16=1,24=100,25=1,30=1,116=101/1,2,3; 4//1; 5/5=2,38=5/2; 8/5=-1,6=4,9=120000,10=1/1,4; 9/5=7,14=2/13; 6/7=3/1; 99/5=1,9=1/99; Leave Link 1 at Fri Apr 5 09:20:51 2019, MaxMem= 13421772800 cpu: 1.5 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe) -- G2 -- Symbolic Z-matrix: Charge = 0 Multiplicity = 1 P X 1 1. H 1 R 2 BETA H 1 R 2 BETA 3 120. 0 H 1 R 2 BETA 3 -120. 0 Variables: R 1.42206 BETA 122.94861 NAtoms= 4 NQM= 4 NQMF= 0 NMMI= 0 NMMIF= 0 NMic= 0 NMicF= 0. Isotopes and Nuclear Properties: (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM) in nuclear magnetons) Atom 1 2 3 4 IAtWgt= 31 1 1 1 AtmWgt= 30.9737634 1.0078250 1.0078250 1.0078250 NucSpn= 1 1 1 1 AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000 NQMom= 0.0000000 0.0000000 0.0000000 0.0000000 NMagM= 1.1316000 2.7928460 2.7928460 2.7928460 AtZNuc= 15.0000000 1.0000000 1.0000000 1.0000000 Leave Link 101 at Fri Apr 5 09:20:51 2019, MaxMem= 13421772800 cpu: 1.2 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l202.exe) Input orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 0.000000 0.000000 0.000000 2 1 0 1.193330 0.000000 -0.773437 3 1 0 -0.596665 -1.033455 -0.773437 4 1 0 -0.596665 1.033455 -0.773437 --------------------------------------------------------------------- Distance matrix (angstroms): 1 2 3 4 1 P 0.000000 2 H 1.422056 0.000000 3 H 1.422056 2.066909 0.000000 4 H 1.422056 2.066909 2.066909 0.000000 Stoichiometry H3P Framework group C3V[C3(P),3SGV(H)] Deg. of freedom 2 Full point group C3V NOp 6 Largest Abelian subgroup CS NOp 2 Largest concise Abelian subgroup CS NOp 2 Standard orientation: --------------------------------------------------------------------- Center Atomic Atomic Coordinates (Angstroms) Number Number Type X Y Z --------------------------------------------------------------------- 1 15 0 0.000000 0.000000 0.128906 2 1 0 0.000000 1.193330 -0.644531 3 1 0 1.033455 -0.596665 -0.644531 4 1 0 -1.033455 -0.596665 -0.644531 --------------------------------------------------------------------- Rotational constants (GHZ): 132.9742016 132.9742016 117.3787103 Leave Link 202 at Fri Apr 5 09:20:51 2019, MaxMem= 13421772800 cpu: 0.4 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe) Standard basis: Aug-CC-pVTZ (5D, 7F) Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F. Ernie: 12 primitive shells out of 97 were deleted. AO basis set (Overlap normalization): Atom P1 Shell 1 S 11 bf 1 - 1 0.000000000000 0.000000000000 0.243597362076 0.3124000000D+06 0.5764091004D-04 0.4680000000D+05 0.4478410293D-03 0.1065000000D+05 0.2346978532D-02 0.3018000000D+04 0.9772573146D-02 0.9868000000D+03 0.3411096726D-01 0.3574000000D+03 0.1000955474D+00 0.1396000000D+03 0.2340950740D+00 0.5763000000D+02 0.3818858240D+00 0.2460000000D+02 0.3174111914D+00 0.1012000000D+02 0.7089576183D-01 0.1805000000D+01 0.4038263680D-02 Atom P1 Shell 2 S 9 bf 2 - 2 0.000000000000 0.000000000000 0.243597362076 0.3018000000D+04 -0.1081317431D-04 0.9868000000D+03 -0.2023738393D-03 0.3574000000D+03 -0.1662574110D-02 0.1396000000D+03 -0.1076395590D-01 0.5763000000D+02 -0.4608972279D-01 0.2460000000D+02 -0.1034635888D+00 0.1012000000D+02 0.5591776592D-01 0.4283000000D+01 0.5310306353D+00 0.1805000000D+01 0.5202543715D+00 Atom P1 Shell 3 S 9 bf 3 - 3 0.000000000000 0.000000000000 0.243597362076 0.3018000000D+04 -0.1892550663D-05 0.9868000000D+03 0.5428187278D-05 0.1396000000D+03 0.2660144015D-03 0.5763000000D+02 0.9877977341D-03 0.2460000000D+02 0.4720659090D-02 0.1012000000D+02 -0.3298171869D-02 0.4283000000D+01 -0.7260629942D-01 0.1805000000D+01 -0.3366220404D+00 0.2782000000D+00 0.1153296401D+01 Atom P1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.243597362076 0.6158000000D+00 0.1000000000D+01 Atom P1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.243597362076 0.1055000000D+00 0.1000000000D+01 Atom P1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.243597362076 0.4090000000D-01 0.1000000000D+01 Atom P1 Shell 7 P 6 bf 7 - 9 0.000000000000 0.000000000000 0.243597362076 0.5049000000D+03 0.2432259834D-02 0.1194000000D+03 0.1929407536D-01 0.3796000000D+02 0.8841910987D-01 0.1395000000D+02 0.2545303458D+00 0.5457000000D+01 0.4398877607D+00 0.2177000000D+01 0.3832874854D+00 Atom P1 Shell 8 P 6 bf 10 - 12 0.000000000000 0.000000000000 0.243597362076 0.1194000000D+03 -0.9580976701D-04 0.3796000000D+02 -0.7898985479D-03 0.1395000000D+02 -0.6425118319D-02 0.5457000000D+01 -0.1491216401D-01 0.2177000000D+01 -0.3173538774D-01 0.2877000000D+00 0.1011555363D+01 Atom P1 Shell 9 P 1 bf 13 - 15 0.000000000000 0.000000000000 0.243597362076 0.8010000000D+00 0.1000000000D+01 Atom P1 Shell 10 P 1 bf 16 - 18 0.000000000000 0.000000000000 0.243597362076 0.9714000000D-01 0.1000000000D+01 Atom P1 Shell 11 P 1 bf 19 - 21 0.000000000000 0.000000000000 0.243597362076 0.3070000000D-01 0.1000000000D+01 Atom P1 Shell 12 D 1 bf 22 - 26 0.000000000000 0.000000000000 0.243597362076 0.2160000000D+00 0.1000000000D+01 Atom P1 Shell 13 D 1 bf 27 - 31 0.000000000000 0.000000000000 0.243597362076 0.6520000000D+00 0.1000000000D+01 Atom P1 Shell 14 D 1 bf 32 - 36 0.000000000000 0.000000000000 0.243597362076 0.7750000000D-01 0.1000000000D+01 Atom P1 Shell 15 F 1 bf 37 - 43 0.000000000000 0.000000000000 0.243597362076 0.4520000000D+00 0.1000000000D+01 Atom P1 Shell 16 F 1 bf 44 - 50 0.000000000000 0.000000000000 0.243597362076 0.1650000000D+00 0.1000000000D+01 Atom H2 Shell 17 S 3 bf 51 - 51 0.000000000000 2.255067787720 -1.217986810379 0.3387000000D+02 0.2549486323D-01 0.5095000000D+01 0.1903627659D+00 0.1159000000D+01 0.8521620222D+00 Atom H2 Shell 18 S 1 bf 52 - 52 0.000000000000 2.255067787720 -1.217986810379 0.3258000000D+00 0.1000000000D+01 Atom H2 Shell 19 S 1 bf 53 - 53 0.000000000000 2.255067787720 -1.217986810379 0.1027000000D+00 0.1000000000D+01 Atom H2 Shell 20 S 1 bf 54 - 54 0.000000000000 2.255067787720 -1.217986810379 0.2526000000D-01 0.1000000000D+01 Atom H2 Shell 21 P 1 bf 55 - 57 0.000000000000 2.255067787720 -1.217986810379 0.1407000000D+01 0.1000000000D+01 Atom H2 Shell 22 P 1 bf 58 - 60 0.000000000000 2.255067787720 -1.217986810379 0.3880000000D+00 0.1000000000D+01 Atom H2 Shell 23 P 1 bf 61 - 63 0.000000000000 2.255067787720 -1.217986810379 0.1020000000D+00 0.1000000000D+01 Atom H2 Shell 24 D 1 bf 64 - 68 0.000000000000 2.255067787720 -1.217986810379 0.1057000000D+01 0.1000000000D+01 Atom H2 Shell 25 D 1 bf 69 - 73 0.000000000000 2.255067787720 -1.217986810379 0.2470000000D+00 0.1000000000D+01 Atom H3 Shell 26 S 3 bf 74 - 74 1.952945991421 -1.127533893860 -1.217986810379 0.3387000000D+02 0.2549486323D-01 0.5095000000D+01 0.1903627659D+00 0.1159000000D+01 0.8521620222D+00 Atom H3 Shell 27 S 1 bf 75 - 75 1.952945991421 -1.127533893860 -1.217986810379 0.3258000000D+00 0.1000000000D+01 Atom H3 Shell 28 S 1 bf 76 - 76 1.952945991421 -1.127533893860 -1.217986810379 0.1027000000D+00 0.1000000000D+01 Atom H3 Shell 29 S 1 bf 77 - 77 1.952945991421 -1.127533893860 -1.217986810379 0.2526000000D-01 0.1000000000D+01 Atom H3 Shell 30 P 1 bf 78 - 80 1.952945991421 -1.127533893860 -1.217986810379 0.1407000000D+01 0.1000000000D+01 Atom H3 Shell 31 P 1 bf 81 - 83 1.952945991421 -1.127533893860 -1.217986810379 0.3880000000D+00 0.1000000000D+01 Atom H3 Shell 32 P 1 bf 84 - 86 1.952945991421 -1.127533893860 -1.217986810379 0.1020000000D+00 0.1000000000D+01 Atom H3 Shell 33 D 1 bf 87 - 91 1.952945991421 -1.127533893860 -1.217986810379 0.1057000000D+01 0.1000000000D+01 Atom H3 Shell 34 D 1 bf 92 - 96 1.952945991421 -1.127533893860 -1.217986810379 0.2470000000D+00 0.1000000000D+01 Atom H4 Shell 35 S 3 bf 97 - 97 -1.952945991421 -1.127533893860 -1.217986810379 0.3387000000D+02 0.2549486323D-01 0.5095000000D+01 0.1903627659D+00 0.1159000000D+01 0.8521620222D+00 Atom H4 Shell 36 S 1 bf 98 - 98 -1.952945991421 -1.127533893860 -1.217986810379 0.3258000000D+00 0.1000000000D+01 Atom H4 Shell 37 S 1 bf 99 - 99 -1.952945991421 -1.127533893860 -1.217986810379 0.1027000000D+00 0.1000000000D+01 Atom H4 Shell 38 S 1 bf 100 - 100 -1.952945991421 -1.127533893860 -1.217986810379 0.2526000000D-01 0.1000000000D+01 Atom H4 Shell 39 P 1 bf 101 - 103 -1.952945991421 -1.127533893860 -1.217986810379 0.1407000000D+01 0.1000000000D+01 Atom H4 Shell 40 P 1 bf 104 - 106 -1.952945991421 -1.127533893860 -1.217986810379 0.3880000000D+00 0.1000000000D+01 Atom H4 Shell 41 P 1 bf 107 - 109 -1.952945991421 -1.127533893860 -1.217986810379 0.1020000000D+00 0.1000000000D+01 Atom H4 Shell 42 D 1 bf 110 - 114 -1.952945991421 -1.127533893860 -1.217986810379 0.1057000000D+01 0.1000000000D+01 Atom H4 Shell 43 D 1 bf 115 - 119 -1.952945991421 -1.127533893860 -1.217986810379 0.2470000000D+00 0.1000000000D+01 There are 83 symmetry adapted cartesian basis functions of A' symmetry. There are 51 symmetry adapted cartesian basis functions of A" symmetry. There are 72 symmetry adapted basis functions of A' symmetry. There are 47 symmetry adapted basis functions of A" symmetry. 119 basis functions, 196 primitive gaussians, 134 cartesian basis functions 9 alpha electrons 9 beta electrons nuclear repulsion energy 17.5135284332 Hartrees. IExCor= 0 DFT=F Ex=HF Corr=None ExCW=0 ScaHFX= 1.000000 ScaDFX= 1.000000 1.000000 1.000000 1.000000 ScalE2= 1.000000 1.000000 IRadAn= 0 IRanWt= -1 IRanGd= 0 ICorTp=0 IEmpDi= 4 NAtoms= 4 NActive= 4 NUniq= 2 SFac= 4.00D+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. Leave Link 301 at Fri Apr 5 09:20:52 2019, MaxMem= 13421772800 cpu: 1.0 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l302.exe) NPDir=0 NMtPBC= 1 NCelOv= 1 NCel= 1 NClECP= 1 NCelD= 1 NCelK= 1 NCelE2= 1 NClLst= 1 CellRange= 0.0. One-electron integrals computed using PRISM. One-electron integral symmetry used in STVInt NBasis= 119 RedAO= T EigKep= 2.05D-04 NBF= 72 47 NBsUse= 119 1.00D-06 EigRej= -1.00D+00 NBFU= 72 47 Leave Link 302 at Fri Apr 5 09:20:52 2019, MaxMem= 13421772800 cpu: 4.7 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe) DipDrv: MaxL=1. Leave Link 303 at Fri Apr 5 09:20:52 2019, MaxMem= 13421772800 cpu: 0.7 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe) ExpMin= 2.53D-02 ExpMax= 3.12D+05 ExpMxC= 9.87D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 Harris functional with IExCor= 205 and IRadAn= 5 diagonalized for initial guess. HarFok: IExCor= 205 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. Harris En= -342.218978717576 JPrj=0 DoOrth=F DoCkMO=F. Initial guess orbital symmetries: Occupied (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A1) Virtual (E) (E) (A1) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A2) (E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) The electronic state of the initial guess is 1-A1. Leave Link 401 at Fri Apr 5 09:20:52 2019, MaxMem= 13421772800 cpu: 5.6 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l502.exe) Restricted open shell SCF: Using DIIS extrapolation, IDIIS= 1040. Integral symmetry usage will be decided dynamically. Keep R1 and R2 ints in memory in symmetry-blocked form, NReq=38441814. IVT= 76946 IEndB= 76946 NGot= 13421772800 MDV= 13396114172 LenX= 13396114172 LenY= 13396095775 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. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 7140 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. Cycle 1 Pass 1 IDiag 1: E= -342.456450179788 DIIS: error= 3.44D-02 at cycle 1 NSaved= 1. NSaved= 1 IEnMin= 1 EnMin= -342.456450179788 IErMin= 1 ErrMin= 3.44D-02 ErrMax= 3.44D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-01 BMatP= 1.04D-01 IDIUse=3 WtCom= 6.56D-01 WtEn= 3.44D-01 Coeff-Com: 0.100D+01 Coeff-En: 0.100D+01 Coeff: 0.100D+01 Gap= 0.532 Goal= None Shift= 0.000 GapD= 0.532 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1. RMSDP=2.50D-03 MaxDP=9.11D-02 OVMax= 4.56D-02 Cycle 2 Pass 1 IDiag 1: E= -342.486700833829 Delta-E= -0.030250654041 Rises=F Damp=F DIIS: error= 2.36D-03 at cycle 2 NSaved= 2. NSaved= 2 IEnMin= 2 EnMin= -342.486700833829 IErMin= 2 ErrMin= 2.36D-03 ErrMax= 2.36D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-04 BMatP= 1.04D-01 IDIUse=3 WtCom= 9.76D-01 WtEn= 2.36D-02 Coeff-Com: -0.352D-02 0.100D+01 Coeff-En: 0.000D+00 0.100D+01 Coeff: -0.344D-02 0.100D+01 Gap= 0.420 Goal= None Shift= 0.000 RMSDP=6.15D-04 MaxDP=2.65D-02 DE=-3.03D-02 OVMax= 1.00D-02 Cycle 3 Pass 1 IDiag 1: E= -342.487471149215 Delta-E= -0.000770315386 Rises=F Damp=F DIIS: error= 8.08D-04 at cycle 3 NSaved= 3. NSaved= 3 IEnMin= 3 EnMin= -342.487471149215 IErMin= 3 ErrMin= 8.08D-04 ErrMax= 8.08D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.06D-05 BMatP= 6.02D-04 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.08D-03 Coeff-Com: -0.468D-02-0.987D-01 0.110D+01 Coeff-En: 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.464D-02-0.979D-01 0.110D+01 Gap= 0.417 Goal= None Shift= 0.000 RMSDP=9.02D-05 MaxDP=3.27D-03 DE=-7.70D-04 OVMax= 3.92D-03 Cycle 4 Pass 1 IDiag 1: E= -342.487559977140 Delta-E= -0.000088827925 Rises=F Damp=F DIIS: error= 2.86D-04 at cycle 4 NSaved= 4. NSaved= 4 IEnMin= 4 EnMin= -342.487559977140 IErMin= 4 ErrMin= 2.86D-04 ErrMax= 2.86D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.48D-06 BMatP= 3.06D-05 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.86D-03 Coeff-Com: -0.485D-03-0.267D-01-0.118D+00 0.115D+01 Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01 Coeff: -0.483D-03-0.266D-01-0.118D+00 0.114D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=2.72D-05 MaxDP=1.07D-03 DE=-8.88D-05 OVMax= 1.77D-03 Cycle 5 Pass 1 IDiag 1: E= -342.487571073341 Delta-E= -0.000011096201 Rises=F Damp=F DIIS: error= 8.19D-05 at cycle 5 NSaved= 5. NSaved= 5 IEnMin= 5 EnMin= -342.487571073341 IErMin= 5 ErrMin= 8.19D-05 ErrMax= 8.19D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.47D-07 BMatP= 3.48D-06 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.824D-03 0.441D-02-0.902D-01-0.268D-01 0.111D+01 Coeff: 0.824D-03 0.441D-02-0.902D-01-0.268D-01 0.111D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=8.14D-06 MaxDP=2.23D-04 DE=-1.11D-05 OVMax= 5.66D-04 Cycle 6 Pass 1 IDiag 1: E= -342.487571976501 Delta-E= -0.000000903160 Rises=F Damp=F DIIS: error= 1.18D-05 at cycle 6 NSaved= 6. NSaved= 6 IEnMin= 6 EnMin= -342.487571976501 IErMin= 6 ErrMin= 1.18D-05 ErrMax= 1.18D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.66D-09 BMatP= 2.47D-07 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.206D-03-0.224D-03 0.255D-01-0.328D-01-0.253D+00 0.126D+01 Coeff: -0.206D-03-0.224D-03 0.255D-01-0.328D-01-0.253D+00 0.126D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=1.43D-06 MaxDP=4.17D-05 DE=-9.03D-07 OVMax= 1.04D-04 Cycle 7 Pass 1 IDiag 1: E= -342.487571998030 Delta-E= -0.000000021529 Rises=F Damp=F DIIS: error= 1.49D-06 at cycle 7 NSaved= 7. NSaved= 7 IEnMin= 7 EnMin= -342.487571998030 IErMin= 7 ErrMin= 1.49D-06 ErrMax= 1.49D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.19D-10 BMatP= 6.66D-09 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.105D-04-0.182D-03 0.104D-02 0.396D-02-0.181D-01-0.857D-01 Coeff-Com: 0.110D+01 Coeff: -0.105D-04-0.182D-03 0.104D-02 0.396D-02-0.181D-01-0.857D-01 Coeff: 0.110D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=1.58D-07 MaxDP=3.42D-06 DE=-2.15D-08 OVMax= 9.67D-06 Cycle 8 Pass 1 IDiag 1: E= -342.487571998373 Delta-E= -0.000000000343 Rises=F Damp=F DIIS: error= 3.31D-07 at cycle 8 NSaved= 8. NSaved= 8 IEnMin= 8 EnMin= -342.487571998373 IErMin= 8 ErrMin= 3.31D-07 ErrMax= 3.31D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-12 BMatP= 1.19D-10 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: 0.525D-05 0.283D-04-0.613D-03 0.158D-03 0.726D-02-0.202D-01 Coeff-Com: -0.103D+00 0.112D+01 Coeff: 0.525D-05 0.283D-04-0.613D-03 0.158D-03 0.726D-02-0.202D-01 Coeff: -0.103D+00 0.112D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=2.34D-08 MaxDP=6.35D-07 DE=-3.43D-10 OVMax= 2.05D-06 Cycle 9 Pass 1 IDiag 1: E= -342.487571998385 Delta-E= -0.000000000012 Rises=F Damp=F DIIS: error= 9.93D-08 at cycle 9 NSaved= 9. NSaved= 9 IEnMin= 9 EnMin= -342.487571998385 IErMin= 9 ErrMin= 9.93D-08 ErrMax= 9.93D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.02D-13 BMatP= 3.21D-12 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00 Coeff-Com: -0.124D-05-0.790D-06 0.153D-03-0.230D-03-0.164D-02 0.118D-01 Coeff-Com: -0.307D-01-0.277D+00 0.130D+01 Coeff: -0.124D-05-0.790D-06 0.153D-03-0.230D-03-0.164D-02 0.118D-01 Coeff: -0.307D-01-0.277D+00 0.130D+01 Gap= 0.418 Goal= None Shift= 0.000 RMSDP=7.31D-09 MaxDP=2.11D-07 DE=-1.23D-11 OVMax= 4.31D-07 SCF Done: E(ROHF) = -342.487571998 A.U. after 9 cycles NFock= 9 Conv=0.73D-08 -V/T= 2.0002 = 0.0000 = 0.0000 = 0.0000 = 0.0000 S= 0.0000 = 0.000000000000E+00 KE= 3.424279455498D+02 PE=-8.506940546319D+02 EE= 1.482650086504D+02 Annihilation of the first spin contaminant: S**2 before annihilation 0.0000, after 0.0000 Leave Link 502 at Fri Apr 5 09:20:54 2019, MaxMem= 13421772800 cpu: 32.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l801.exe) Windowed orbitals will be sorted by symmetry type. GenMOA: NOpAll= 6 NOp2=2 NOpUse= 6 JSym2X=1 FoFJK: IHMeth= 1 ICntrl= 0 DoSepK=F KAlg= 0 I1Cent= 0 FoldK=F IRaf= 0 NMat= 1 IRICut= 1 DoRegI=T DoRafI=F ISym2E= 1. FoFCou: FMM=F IPFlag= 0 FMFlag= 100000 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 0 IOpCl= 1 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 1 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. = 0.0000 = 0.0000 = 0.0000 = 0.0000 S= 0.0000 ExpMin= 2.53D-02 ExpMax= 3.12D+05 ExpMxC= 9.87D+02 IAcc=3 IRadAn= 5 AccDes= 0.00D+00 HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 5 IDoV=-2 UseB2=F ITyADJ=14 ICtDFT= 12500011 ScaDFX= 1.000000 1.000000 1.000000 1.000000 Largest valence mixing into a core orbital is 5.17D-04 Largest core mixing into a valence orbital is 1.39D-04 Largest valence mixing into a core orbital is 5.17D-04 Largest core mixing into a valence orbital is 1.39D-04 Range of M.O.s used for correlation: 6 119 NBasis= 119 NAE= 9 NBE= 9 NFC= 5 NFV= 0 NROrb= 114 NOA= 4 NOB= 4 NVA= 110 NVB= 110 **** Warning!!: The largest alpha MO coefficient is 0.23892889D+02 **** Warning!!: The largest beta MO coefficient is 0.23892889D+02 Singles contribution to E2= -0.4311822602D-14 Leave Link 801 at Fri Apr 5 09:20:54 2019, MaxMem= 13421772800 cpu: 9.8 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l804.exe) Open-shell transformation, MDV= 13421772800 ITran=4 ISComp=2. Semi-Direct transformation. ModeAB= 4 MOrb= 4 LenV= 13421196955 LASXX= 1438717 LTotXX= 1438717 LenRXX= 2920170 LTotAB= 1481453 MaxLAS= 3003672 LenRXY= 0 NonZer= 4358887 LenScr= 7208960 LnRSAI= 3003672 LnScr1= 5046272 LExtra= 0 Total= 18179074 MaxDsk= -1 SrtSym= T ITran= 4 DoSDTr: NPSUse= 24 JobTyp=1 Pass 1: I= 1 to 4. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. ModeAB= 4 MOrb= 4 LenV= 13421196955 LASXX= 1438717 LTotXX= 1438717 LenRXX= 2817952 LTotAB= 1379235 MaxLAS= 3003672 LenRXY= 0 NonZer= 4256669 LenScr= 6815744 LnRSAI= 3003672 LnScr1= 5046272 LExtra= 0 Total= 17683640 MaxDsk= -1 SrtSym= T ITran= 4 DoSDTr: NPSUse= 24 JobTyp=2 Pass 1: I= 1 to 4. (rs|ai) integrals will be sorted in core. Complete sort for first half transformation. First half transformation complete. Complete sort for second half transformation. Second half transformation complete. Spin components of T(2) and E(2): alpha-alpha T2 = 0.6841591684D-02 E2= -0.1413710864D-01 alpha-beta T2 = 0.6002756848D-01 E2= -0.1453295770D+00 beta-beta T2 = 0.6841591684D-02 E2= -0.1413710864D-01 ANorm= 0.1036200150D+01 E2 = -0.1736037943D+00 EUMP2 = -0.34266117579267D+03 (S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00 E(PUHF)= -0.34248757200D+03 E(PMP2)= -0.34266117579D+03 Leave Link 804 at Fri Apr 5 09:20:55 2019, MaxMem= 13421772800 cpu: 28.7 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe) CIDS: MDV= 13421772800. Frozen-core window: NFC= 5 NFV= 0. IFCWin=0 IBDFC=1 NFBD= 0 0 NFCmp= 0 0 NFFFC= 0 0 Using original routines for 1st iteration, S=T. Using DD4UQ or CC4UQ for 2nd and later iterations. Keep R2 and R3 ints in memory in symmetry-blocked form, NReq=38366542. FoFCou: FMM=F IPFlag= 0 FMFlag= 0 FMFlg1= 0 NFxFlg= 0 DoJE=F BraDBF=F KetDBF=F FulRan=T wScrn= 0.000000 ICntrl= 600 IOpCl= 0 I1Cent= 0 NGrid= 0 NMat0= 1 NMatS0= 7140 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0 Petite list used in FoFCou. CCSD(T) ======= Iterations= 50 Convergence= 0.100D-06 Iteration Nr. 1 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. MP4(R+Q)= 0.29725512D-01 Maximum subspace dimension= 5 Norm of the A-vectors is 4.6389844D-02 conv= 1.00D-05. RLE energy= -0.1689221067 E3= -0.24914071D-01 EROMP3= -0.34268608986D+03 E4(SDQ)= -0.28391441D-02 ROMP4(SDQ)= -0.34268892901D+03 VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION: DE(Corr)= -0.16879235 E(Corr)= -342.65636435 NORM(A)= 0.10338960D+01 Iteration Nr. 2 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 2.4338194D-01 conv= 1.00D-05. RLE energy= -0.1747326673 DE(Corr)= -0.19319076 E(CORR)= -342.68076276 Delta=-2.44D-02 NORM(A)= 0.10366144D+01 Iteration Nr. 3 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 2.0169173D-01 conv= 1.00D-05. RLE energy= -0.1865340773 DE(Corr)= -0.19460127 E(CORR)= -342.68217327 Delta=-1.41D-03 NORM(A)= 0.10432147D+01 Iteration Nr. 4 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 1.1465781D-01 conv= 1.00D-05. RLE energy= -0.2014755689 DE(Corr)= -0.19759773 E(CORR)= -342.68516973 Delta=-3.00D-03 NORM(A)= 0.10534945D+01 Iteration Nr. 5 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 5.7261447D-03 conv= 1.00D-05. RLE energy= -0.2012969990 DE(Corr)= -0.20152321 E(CORR)= -342.68909520 Delta=-3.93D-03 NORM(A)= 0.10535034D+01 Iteration Nr. 6 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 2.4841452D-03 conv= 1.00D-05. RLE energy= -0.2015576509 DE(Corr)= -0.20148810 E(CORR)= -342.68906010 Delta= 3.51D-05 NORM(A)= 0.10537314D+01 Iteration Nr. 7 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 4.6879195D-04 conv= 1.00D-05. RLE energy= -0.2015584218 DE(Corr)= -0.20155720 E(CORR)= -342.68912920 Delta=-6.91D-05 NORM(A)= 0.10537386D+01 Iteration Nr. 8 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 1.5587113D-04 conv= 1.00D-05. RLE energy= -0.2015574606 DE(Corr)= -0.20155832 E(CORR)= -342.68913031 Delta=-1.12D-06 NORM(A)= 0.10537368D+01 Iteration Nr. 9 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 4.9377348D-05 conv= 1.00D-05. RLE energy= -0.2015571679 DE(Corr)= -0.20155723 E(CORR)= -342.68912923 Delta= 1.08D-06 NORM(A)= 0.10537367D+01 Iteration Nr. 10 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 1.8409500D-05 conv= 1.00D-05. RLE energy= -0.2015574011 DE(Corr)= -0.20155730 E(CORR)= -342.68912930 Delta=-7.24D-08 NORM(A)= 0.10537369D+01 Iteration Nr. 11 ********************** DD1Dir will call FoFMem 1 times, MxPair= 44 NAB= 16 NAA= 6 NBB= 6. Norm of the A-vectors is 6.0013581D-06 conv= 1.00D-05. RLE energy= -0.2015574083 DE(Corr)= -0.20155738 E(CORR)= -342.68912938 Delta=-7.64D-08 NORM(A)= 0.10537370D+01 CI/CC converged in 11 iterations to DelEn=-7.64D-08 Conv= 1.00D-07 ErrA1= 6.00D-06 Conv= 1.00D-05 Largest amplitude= 2.95D-02 Time for triples= 7375.41 seconds. T4(CCSD)= -0.73344820D-02 T5(CCSD)= 0.17753654D-03 CCSD(T)= -0.34269628632D+03 Discarding MO integrals. Leave Link 913 at Fri Apr 5 09:26:44 2019, MaxMem= 13421772800 cpu: 8063.3 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l601.exe) Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=1. ********************************************************************** Population analysis using the SCF density. ********************************************************************** Orbital symmetries: Occupied (A1) (A1) (E) (E) (A1) (A1) (E) (E) (A1) Virtual (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (A1) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A2) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (E) (E) (A1) (A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E) (A2) (E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E) (A2) (A1) (E) (E) (E) (E) (A1) (E) (E) (A1) The electronic state is 1-A1. Alpha occ. eigenvalues -- -79.94724 -7.48972 -5.38311 -5.38311 -5.38221 Alpha occ. eigenvalues -- -0.85425 -0.51974 -0.51974 -0.38894 Alpha virt. eigenvalues -- 0.02923 0.05376 0.05376 0.08179 0.09025 Alpha virt. eigenvalues -- 0.09025 0.13761 0.16739 0.16739 0.19981 Alpha virt. eigenvalues -- 0.19981 0.20168 0.27599 0.27599 0.29160 Alpha virt. eigenvalues -- 0.30810 0.30810 0.32460 0.32659 0.32659 Alpha virt. eigenvalues -- 0.33287 0.38021 0.38021 0.38367 0.56725 Alpha virt. eigenvalues -- 0.56725 0.56873 0.60142 0.60142 0.63142 Alpha virt. eigenvalues -- 0.65789 0.66653 0.72992 0.72992 0.74858 Alpha virt. eigenvalues -- 0.76544 0.76544 0.78328 0.78328 0.86002 Alpha virt. eigenvalues -- 0.93218 0.93218 0.96696 0.97676 1.00552 Alpha virt. eigenvalues -- 1.00552 1.02776 1.02776 1.03371 1.14926 Alpha virt. eigenvalues -- 1.14926 1.17182 1.19890 1.19890 1.26179 Alpha virt. eigenvalues -- 1.26179 1.27255 1.47020 1.50305 1.50305 Alpha virt. eigenvalues -- 1.51072 1.62601 1.62601 1.64282 1.67694 Alpha virt. eigenvalues -- 1.67694 1.78859 1.78859 1.79497 1.88653 Alpha virt. eigenvalues -- 1.99101 2.15559 2.15559 2.16839 2.26899 Alpha virt. eigenvalues -- 2.26899 2.31369 2.41620 2.41620 2.69630 Alpha virt. eigenvalues -- 2.90923 2.90923 3.45478 3.58496 3.58496 Alpha virt. eigenvalues -- 3.90534 3.90534 3.92181 3.98972 3.98972 Alpha virt. eigenvalues -- 4.11552 4.12959 4.12959 4.19877 4.31446 Alpha virt. eigenvalues -- 4.43957 4.43957 4.47545 4.52181 4.52181 Alpha virt. eigenvalues -- 4.54178 4.67001 4.74411 4.74411 4.80969 Alpha virt. eigenvalues -- 4.80969 4.86221 5.33968 5.33968 8.41415 Molecular Orbital Coefficients: 1 2 3 4 5 (A1)--O (A1)--O (E)--O (E)--O (A1)--O Eigenvalues -- -79.94724 -7.48972 -5.38311 -5.38311 -5.38221 1 1 P 1S 1.00103 -0.27253 0.00000 0.00000 -0.00156 2 2S -0.00319 0.99294 0.00000 0.00000 0.00723 3 3S 0.00075 -0.01055 0.00000 0.00000 0.00049 4 4S -0.00099 0.06263 0.00000 0.00000 -0.00245 5 5S -0.00084 0.00831 0.00000 0.00000 0.00343 6 6S -0.00010 0.00017 0.00000 0.00000 -0.00084 7 7PX 0.00000 0.00000 0.96032 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.96032 0.00000 9 7PZ -0.00009 -0.00453 0.00000 0.00000 0.96135 10 8PX 0.00000 0.00000 -0.00732 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 -0.00732 0.00000 12 8PZ -0.00017 0.00144 0.00000 0.00000 -0.00575 13 9PX 0.00000 0.00000 0.07895 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.07895 0.00000 15 9PZ 0.00008 -0.00182 0.00000 0.00000 0.07664 16 10PX 0.00000 0.00000 -0.00096 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -0.00096 0.00000 18 10PZ 0.00029 -0.00198 0.00000 0.00000 0.00051 19 11PX 0.00000 0.00000 -0.00035 0.00000 0.00000 20 11PY 0.00000 0.00000 0.00000 -0.00035 0.00000 21 11PZ 0.00001 0.00001 0.00000 0.00000 -0.00008 22 12D 0 0.00003 0.00006 0.00000 0.00000 0.00226 23 12D+1 0.00000 0.00000 0.00377 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00377 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00094 0.00000 26 12D-2 0.00000 0.00000 0.00094 0.00000 0.00000 27 13D 0 -0.00001 -0.00035 0.00000 0.00000 -0.00100 28 13D+1 0.00000 0.00000 -0.00114 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 -0.00114 0.00000 30 13D+2 0.00000 0.00000 0.00000 -0.00016 0.00000 31 13D-2 0.00000 0.00000 -0.00016 0.00000 0.00000 32 14D 0 -0.00002 0.00008 0.00000 0.00000 -0.00050 33 14D+1 0.00000 0.00000 0.00021 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00021 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00029 0.00000 36 14D-2 0.00000 0.00000 0.00029 0.00000 0.00000 37 15F 0 0.00001 0.00008 0.00000 0.00000 -0.00028 38 15F+1 0.00000 0.00000 -0.00018 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00018 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00004 0.00000 41 15F-2 0.00000 0.00000 0.00004 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.00001 -0.00010 0.00000 0.00000 0.00019 44 16F 0 -0.00001 -0.00008 0.00000 0.00000 -0.00004 45 16F+1 0.00000 0.00000 -0.00071 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00071 0.00000 47 16F+2 0.00000 0.00000 0.00000 -0.00064 0.00000 48 16F-2 0.00000 0.00000 -0.00064 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00001 0.00005 0.00000 0.00000 -0.00019 51 2 H 1S 0.00000 0.00022 0.00000 0.00042 -0.00028 52 2S -0.00004 0.00084 0.00000 0.00431 -0.00124 53 3S 0.00025 -0.00214 0.00000 0.00088 -0.00038 54 4S 0.00001 -0.00001 0.00000 0.00033 0.00009 55 5PX 0.00000 0.00000 -0.00007 0.00000 0.00000 56 5PY 0.00000 -0.00002 0.00000 0.00002 -0.00005 57 5PZ 0.00000 0.00002 0.00000 0.00001 -0.00004 58 6PX 0.00000 0.00000 0.00088 0.00000 0.00000 59 6PY 0.00004 -0.00032 0.00000 -0.00095 0.00082 60 6PZ -0.00001 0.00008 0.00000 0.00053 0.00039 61 7PX 0.00000 0.00000 0.00027 0.00000 0.00000 62 7PY -0.00005 0.00064 0.00000 0.00004 0.00021 63 7PZ 0.00002 -0.00032 0.00000 -0.00005 -0.00009 64 8D 0 0.00000 -0.00003 0.00000 0.00000 -0.00004 65 8D+1 0.00000 0.00000 -0.00003 0.00000 0.00000 66 8D-1 -0.00001 0.00001 0.00000 0.00018 -0.00002 67 8D+2 0.00000 -0.00003 0.00000 0.00012 -0.00005 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00001 -0.00008 0.00000 0.00015 0.00031 70 9D+1 0.00000 0.00000 0.00004 0.00000 0.00000 71 9D-1 0.00001 0.00008 0.00000 0.00009 -0.00032 72 9D+2 0.00002 0.00000 0.00000 0.00030 0.00028 73 9D-2 0.00000 0.00000 -0.00075 0.00000 0.00000 74 3 H 1S 0.00000 0.00022 0.00037 -0.00021 -0.00028 75 2S -0.00004 0.00084 0.00373 -0.00215 -0.00124 76 3S 0.00025 -0.00214 0.00076 -0.00044 -0.00038 77 4S 0.00001 -0.00001 0.00028 -0.00016 0.00009 78 5PX 0.00000 -0.00002 0.00000 -0.00004 -0.00005 79 5PY 0.00000 0.00001 -0.00004 -0.00005 0.00003 80 5PZ 0.00000 0.00002 0.00001 -0.00001 -0.00004 81 6PX 0.00003 -0.00028 -0.00049 0.00079 0.00071 82 6PY -0.00002 0.00016 0.00079 0.00043 -0.00041 83 6PZ -0.00001 0.00008 0.00046 -0.00026 0.00039 84 7PX -0.00004 0.00055 0.00010 0.00010 0.00018 85 7PY 0.00003 -0.00032 0.00010 0.00021 -0.00010 86 7PZ 0.00002 -0.00032 -0.00004 0.00002 -0.00009 87 8D 0 0.00000 -0.00003 0.00000 0.00000 -0.00004 88 8D+1 -0.00001 0.00001 0.00012 -0.00009 -0.00002 89 8D-1 0.00000 -0.00001 -0.00009 0.00002 0.00001 90 8D+2 0.00000 0.00002 -0.00005 0.00003 0.00002 91 8D-2 0.00000 -0.00003 0.00009 -0.00005 -0.00004 92 9D 0 0.00001 -0.00008 0.00013 -0.00008 0.00031 93 9D+1 0.00001 0.00007 0.00008 -0.00002 -0.00028 94 9D-1 0.00000 -0.00004 -0.00002 0.00005 0.00016 95 9D+2 -0.00001 0.00000 -0.00045 -0.00049 -0.00014 96 9D-2 0.00001 0.00000 0.00003 -0.00045 0.00024 97 4 H 1S 0.00000 0.00022 -0.00037 -0.00021 -0.00028 98 2S -0.00004 0.00084 -0.00373 -0.00215 -0.00124 99 3S 0.00025 -0.00214 -0.00076 -0.00044 -0.00038 100 4S 0.00001 -0.00001 -0.00028 -0.00016 0.00009 101 5PX 0.00000 0.00002 0.00000 0.00004 0.00005 102 5PY 0.00000 0.00001 0.00004 -0.00005 0.00003 103 5PZ 0.00000 0.00002 -0.00001 -0.00001 -0.00004 104 6PX -0.00003 0.00028 -0.00049 -0.00079 -0.00071 105 6PY -0.00002 0.00016 -0.00079 0.00043 -0.00041 106 6PZ -0.00001 0.00008 -0.00046 -0.00026 0.00039 107 7PX 0.00004 -0.00055 0.00010 -0.00010 -0.00018 108 7PY 0.00003 -0.00032 -0.00010 0.00021 -0.00010 109 7PZ 0.00002 -0.00032 0.00004 0.00002 -0.00009 110 8D 0 0.00000 -0.00003 0.00000 0.00000 -0.00004 111 8D+1 0.00001 -0.00001 0.00012 0.00009 0.00002 112 8D-1 0.00000 -0.00001 0.00009 0.00002 0.00001 113 8D+2 0.00000 0.00002 0.00005 0.00003 0.00002 114 8D-2 0.00000 0.00003 0.00009 0.00005 0.00004 115 9D 0 0.00001 -0.00008 -0.00013 -0.00008 0.00031 116 9D+1 -0.00001 -0.00007 0.00008 0.00002 0.00028 117 9D-1 0.00000 -0.00004 0.00002 0.00005 0.00016 118 9D+2 -0.00001 0.00000 0.00045 -0.00049 -0.00014 119 9D-2 -0.00001 0.00000 0.00003 0.00045 -0.00024 6 7 8 9 10 (A1)--O (E)--O (E)--O (A1)--O (A1)--V Eigenvalues -- -0.85425 -0.51974 -0.51974 -0.38894 0.02923 1 1 P 1S 0.06247 0.00000 0.00000 0.03011 0.01040 2 2S -0.23728 0.00000 0.00000 -0.11706 -0.05065 3 3S 0.48740 0.00000 0.00000 0.25712 0.06538 4 4S 0.05116 0.00000 0.00000 0.03666 -0.01473 5 5S 0.20475 0.00000 0.00000 0.29705 2.18974 6 6S -0.03180 0.00000 0.00000 0.02934 3.64948 7 7PX 0.00000 -0.16325 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 -0.16325 0.00000 0.00000 9 7PZ 0.04395 0.00000 0.00000 -0.19039 0.01421 10 8PX 0.00000 0.36399 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.36399 0.00000 0.00000 12 8PZ -0.06859 0.00000 0.00000 0.42739 -0.08871 13 9PX 0.00000 0.09803 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.09803 0.00000 0.00000 15 9PZ -0.02293 0.00000 0.00000 0.12590 -0.00776 16 10PX 0.00000 0.19337 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.19337 0.00000 0.00000 18 10PZ 0.01044 0.00000 0.00000 0.30596 -1.22533 19 11PX 0.00000 -0.00037 0.00000 0.00000 0.00000 20 11PY 0.00000 0.00000 -0.00037 0.00000 0.00000 21 11PZ 0.00497 0.00000 0.00000 0.02150 -0.66445 22 12D 0 -0.00018 0.00000 0.00000 -0.00124 0.00747 23 12D+1 0.00000 -0.06891 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 -0.06891 0.00000 0.00000 25 12D+2 0.00000 0.00000 -0.05173 0.00000 0.00000 26 12D-2 0.00000 -0.05173 0.00000 0.00000 0.00000 27 13D 0 -0.00285 0.00000 0.00000 -0.00059 -0.00129 28 13D+1 0.00000 -0.05624 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 -0.05624 0.00000 0.00000 30 13D+2 0.00000 0.00000 -0.04297 0.00000 0.00000 31 13D-2 0.00000 -0.04297 0.00000 0.00000 0.00000 32 14D 0 0.00120 0.00000 0.00000 -0.00994 0.09796 33 14D+1 0.00000 -0.02241 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 -0.02241 0.00000 0.00000 35 14D+2 0.00000 0.00000 -0.00552 0.00000 0.00000 36 14D-2 0.00000 -0.00552 0.00000 0.00000 0.00000 37 15F 0 0.00796 0.00000 0.00000 -0.00763 0.00595 38 15F+1 0.00000 0.00516 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00516 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.01890 0.00000 0.00000 41 15F-2 0.00000 0.01890 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.00860 0.00000 0.00000 0.00538 -0.00669 44 16F 0 -0.00179 0.00000 0.00000 -0.00114 0.01978 45 16F+1 0.00000 0.00484 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00484 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00333 0.00000 0.00000 48 16F-2 0.00000 0.00333 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00203 0.00000 0.00000 -0.00077 -0.02825 51 2 H 1S 0.07761 0.00000 0.15627 -0.05528 0.00215 52 2S 0.12142 0.00000 0.23185 -0.10181 -0.03254 53 3S 0.04038 0.00000 0.10156 -0.06274 -1.26775 54 4S 0.00384 0.00000 0.00576 -0.00156 -1.15208 55 5PX 0.00000 0.00297 0.00000 0.00000 0.00000 56 5PY -0.00675 0.00000 -0.00711 0.00378 -0.00509 57 5PZ 0.00372 0.00000 0.00636 0.00154 0.00257 58 6PX 0.00000 0.00804 0.00000 0.00000 0.00000 59 6PY -0.01155 0.00000 0.00413 0.00656 0.03342 60 6PZ 0.00678 0.00000 0.00532 0.00767 -0.01978 61 7PX 0.00000 -0.01088 0.00000 0.00000 0.00000 62 7PY 0.00072 0.00000 0.00054 -0.00450 0.34573 63 7PZ -0.00152 0.00000 -0.00259 -0.00305 -0.11539 64 8D 0 -0.00054 0.00000 0.00081 0.00131 -0.00008 65 8D+1 0.00000 0.00084 0.00000 0.00000 0.00000 66 8D-1 -0.00223 0.00000 -0.00110 0.00042 0.00082 67 8D+2 -0.00201 0.00000 0.00017 0.00151 0.00005 68 8D-2 0.00000 -0.00160 0.00000 0.00000 0.00000 69 9D 0 0.00039 0.00000 -0.00048 0.00048 0.00408 70 9D+1 0.00000 0.00191 0.00000 0.00000 0.00000 71 9D-1 0.00168 0.00000 0.00289 -0.00155 0.01051 72 9D+2 0.00148 0.00000 0.00230 -0.00178 0.01752 73 9D-2 0.00000 0.00169 0.00000 0.00000 0.00000 74 3 H 1S 0.07761 0.13534 -0.07814 -0.05528 0.00215 75 2S 0.12142 0.20079 -0.11592 -0.10181 -0.03254 76 3S 0.04038 0.08795 -0.05078 -0.06274 -1.26775 77 4S 0.00384 0.00499 -0.00288 -0.00156 -1.15208 78 5PX -0.00585 -0.00459 0.00436 0.00327 -0.00441 79 5PY 0.00338 0.00436 0.00045 -0.00189 0.00255 80 5PZ 0.00372 0.00551 -0.00318 0.00154 0.00257 81 6PX -0.01000 0.00511 0.00169 0.00568 0.02894 82 6PY 0.00578 0.00169 0.00707 -0.00328 -0.01671 83 6PZ 0.00678 0.00460 -0.00266 0.00767 -0.01978 84 7PX 0.00062 -0.00232 -0.00494 -0.00389 0.29941 85 7PY -0.00036 -0.00494 -0.00803 0.00225 -0.17286 86 7PZ -0.00152 -0.00224 0.00129 -0.00305 -0.11539 87 8D 0 -0.00054 0.00070 -0.00040 0.00131 -0.00008 88 8D+1 -0.00193 -0.00062 0.00084 0.00036 0.00071 89 8D-1 0.00111 0.00084 0.00035 -0.00021 -0.00041 90 8D+2 0.00101 -0.00077 -0.00116 -0.00076 -0.00003 91 8D-2 -0.00174 -0.00027 -0.00077 0.00131 0.00005 92 9D 0 0.00039 -0.00041 0.00024 0.00048 0.00408 93 9D+1 0.00145 0.00264 -0.00042 -0.00134 0.00911 94 9D-1 -0.00084 -0.00042 0.00216 0.00078 -0.00526 95 9D+2 -0.00074 -0.00026 0.00184 0.00089 -0.00876 96 9D-2 0.00129 0.00215 -0.00026 -0.00154 0.01517 97 4 H 1S 0.07761 -0.13534 -0.07814 -0.05528 0.00215 98 2S 0.12142 -0.20079 -0.11592 -0.10181 -0.03254 99 3S 0.04038 -0.08795 -0.05078 -0.06274 -1.26775 100 4S 0.00384 -0.00499 -0.00288 -0.00156 -1.15208 101 5PX 0.00585 -0.00459 -0.00436 -0.00327 0.00441 102 5PY 0.00338 -0.00436 0.00045 -0.00189 0.00255 103 5PZ 0.00372 -0.00551 -0.00318 0.00154 0.00257 104 6PX 0.01000 0.00511 -0.00169 -0.00568 -0.02894 105 6PY 0.00578 -0.00169 0.00707 -0.00328 -0.01671 106 6PZ 0.00678 -0.00460 -0.00266 0.00767 -0.01978 107 7PX -0.00062 -0.00232 0.00494 0.00389 -0.29941 108 7PY -0.00036 0.00494 -0.00803 0.00225 -0.17286 109 7PZ -0.00152 0.00224 0.00129 -0.00305 -0.11539 110 8D 0 -0.00054 -0.00070 -0.00040 0.00131 -0.00008 111 8D+1 0.00193 -0.00062 -0.00084 -0.00036 -0.00071 112 8D-1 0.00111 -0.00084 0.00035 -0.00021 -0.00041 113 8D+2 0.00101 0.00077 -0.00116 -0.00076 -0.00003 114 8D-2 0.00174 -0.00027 0.00077 -0.00131 -0.00005 115 9D 0 0.00039 0.00041 0.00024 0.00048 0.00408 116 9D+1 -0.00145 0.00264 0.00042 0.00134 -0.00911 117 9D-1 -0.00084 0.00042 0.00216 0.00078 -0.00526 118 9D+2 -0.00074 0.00026 0.00184 0.00089 -0.00876 119 9D-2 -0.00129 0.00215 0.00026 0.00154 -0.01517 11 12 13 14 15 (E)--V (E)--V (A1)--V (E)--V (E)--V Eigenvalues -- 0.05376 0.05376 0.08179 0.09025 0.09025 1 1 P 1S 0.00000 0.00000 -0.00594 0.00000 0.00000 2 2S 0.00000 0.00000 0.02264 0.00000 0.00000 3 3S 0.00000 0.00000 -0.05548 0.00000 0.00000 4 4S 0.00000 0.00000 -0.01676 0.00000 0.00000 5 5S 0.00000 0.00000 1.48915 0.00000 0.00000 6 6S 0.00000 0.00000 -0.59208 0.00000 0.00000 7 7PX 0.02226 0.00000 0.00000 0.00000 0.02445 8 7PY 0.00000 0.02226 0.00000 0.02445 0.00000 9 7PZ 0.00000 0.00000 0.04487 0.00000 0.00000 10 8PX -0.16196 0.00000 0.00000 0.00000 -0.02222 11 8PY 0.00000 -0.16196 0.00000 -0.02222 0.00000 12 8PZ 0.00000 0.00000 -0.11325 0.00000 0.00000 13 9PX -0.01151 0.00000 0.00000 0.00000 -0.01205 14 9PY 0.00000 -0.01151 0.00000 -0.01205 0.00000 15 9PZ 0.00000 0.00000 -0.03810 0.00000 0.00000 16 10PX -1.77303 0.00000 0.00000 0.00000 -0.66858 17 10PY 0.00000 -1.77303 0.00000 -0.66858 0.00000 18 10PZ 0.00000 0.00000 -0.01897 0.00000 0.00000 19 11PX -1.60729 0.00000 0.00000 0.00000 -3.27723 20 11PY 0.00000 -1.60729 0.00000 -3.27723 0.00000 21 11PZ 0.00000 0.00000 1.66504 0.00000 0.00000 22 12D 0 0.00000 0.00000 -0.12346 0.00000 0.00000 23 12D+1 0.14254 0.00000 0.00000 0.00000 -0.02231 24 12D-1 0.00000 0.14254 0.00000 -0.02231 0.00000 25 12D+2 0.00000 0.11521 0.00000 -0.09773 0.00000 26 12D-2 0.11521 0.00000 0.00000 0.00000 -0.09773 27 13D 0 0.00000 0.00000 0.00527 0.00000 0.00000 28 13D+1 0.00842 0.00000 0.00000 0.00000 -0.03656 29 13D-1 0.00000 0.00842 0.00000 -0.03656 0.00000 30 13D+2 0.00000 0.00650 0.00000 -0.02716 0.00000 31 13D-2 0.00650 0.00000 0.00000 0.00000 -0.02716 32 14D 0 0.00000 0.00000 -0.66417 0.00000 0.00000 33 14D+1 0.50569 0.00000 0.00000 0.00000 0.59723 34 14D-1 0.00000 0.50569 0.00000 0.59723 0.00000 35 14D+2 0.00000 0.37778 0.00000 -0.03632 0.00000 36 14D-2 0.37778 0.00000 0.00000 0.00000 -0.03632 37 15F 0 0.00000 0.00000 0.00683 0.00000 0.00000 38 15F+1 -0.00432 0.00000 0.00000 0.00000 0.00836 39 15F-1 0.00000 -0.00432 0.00000 0.00836 0.00000 40 15F+2 0.00000 -0.01395 0.00000 0.01593 0.00000 41 15F-2 -0.01395 0.00000 0.00000 0.00000 0.01593 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 -0.00462 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.07618 0.00000 0.00000 45 16F+1 -0.01509 0.00000 0.00000 0.00000 -0.04681 46 16F-1 0.00000 -0.01509 0.00000 -0.04681 0.00000 47 16F+2 0.00000 -0.04851 0.00000 0.01813 0.00000 48 16F-2 -0.04851 0.00000 0.00000 0.00000 0.01813 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.05986 0.00000 0.00000 51 2 H 1S 0.00000 -0.01463 0.01622 0.04873 0.00000 52 2S 0.00000 0.04261 -0.04135 0.06118 0.00000 53 3S 0.00000 2.56186 -0.20667 0.88277 0.00000 54 4S 0.00000 4.90469 0.11203 4.18178 0.00000 55 5PX -0.00004 0.00000 0.00000 0.00000 -0.00169 56 5PY 0.00000 0.00553 -0.00079 0.00099 0.00000 57 5PZ 0.00000 -0.00372 0.00063 0.00076 0.00000 58 6PX -0.00469 0.00000 0.00000 0.00000 0.00082 59 6PY 0.00000 -0.06398 -0.00206 -0.00406 0.00000 60 6PZ 0.00000 0.03944 -0.01560 -0.02342 0.00000 61 7PX 0.02018 0.00000 0.00000 0.00000 0.48180 62 7PY 0.00000 -0.76308 0.03277 0.30370 0.00000 63 7PZ 0.00000 0.50711 -0.59458 -0.08316 0.00000 64 8D 0 0.00000 -0.00017 -0.00049 -0.00075 0.00000 65 8D+1 -0.00102 0.00000 0.00000 0.00000 0.00025 66 8D-1 0.00000 -0.00086 -0.00205 0.00087 0.00000 67 8D+2 0.00000 -0.00091 -0.00012 -0.00106 0.00000 68 8D-2 -0.00018 0.00000 0.00000 0.00000 0.00158 69 9D 0 0.00000 -0.00454 -0.02259 0.01302 0.00000 70 9D+1 -0.00152 0.00000 0.00000 0.00000 0.00638 71 9D-1 0.00000 -0.04399 0.05245 0.01838 0.00000 72 9D+2 0.00000 -0.03500 -0.01489 0.03900 0.00000 73 9D-2 0.00421 0.00000 0.00000 0.00000 -0.05330 74 3 H 1S -0.01267 0.00731 0.01622 -0.02436 0.04220 75 2S 0.03690 -0.02131 -0.04135 -0.03059 0.05299 76 3S 2.21863 -1.28093 -0.20667 -0.44138 0.76450 77 4S 4.24759 -2.45234 0.11203 -2.09089 3.62152 78 5PX 0.00414 -0.00241 -0.00068 -0.00116 0.00032 79 5PY -0.00241 0.00136 0.00039 -0.00102 -0.00116 80 5PZ -0.00322 0.00186 0.00063 -0.00038 0.00066 81 6PX -0.04916 0.02568 -0.00179 0.00212 -0.00284 82 6PY 0.02568 -0.01951 0.00103 -0.00040 0.00212 83 6PZ 0.03416 -0.01972 -0.01560 0.01171 -0.02028 84 7PX -0.56726 0.33916 0.02838 0.07712 0.34823 85 7PY 0.33916 -0.17564 -0.01639 0.43728 0.07712 86 7PZ 0.43917 -0.25355 -0.59458 0.04158 -0.07202 87 8D 0 -0.00015 0.00008 -0.00049 0.00038 -0.00065 88 8D+1 -0.00090 -0.00007 -0.00178 -0.00027 0.00071 89 8D-1 -0.00007 -0.00098 0.00103 0.00041 -0.00027 90 8D+2 0.00032 -0.00036 0.00006 0.00092 0.00114 91 8D-2 -0.00072 0.00032 -0.00010 0.00114 -0.00040 92 9D 0 -0.00393 0.00227 -0.02259 -0.00651 0.01128 93 9D+1 -0.03337 0.01839 0.04543 -0.00520 0.01538 94 9D-1 0.01839 -0.01214 -0.02623 0.00938 -0.00520 95 9D+2 0.01698 -0.00559 0.00744 -0.03022 -0.03997 96 9D-2 -0.02519 0.01698 -0.01289 -0.03997 0.01593 97 4 H 1S 0.01267 0.00731 0.01622 -0.02436 -0.04220 98 2S -0.03690 -0.02131 -0.04135 -0.03059 -0.05299 99 3S -2.21863 -1.28093 -0.20667 -0.44138 -0.76450 100 4S -4.24759 -2.45234 0.11203 -2.09089 -3.62152 101 5PX 0.00414 0.00241 0.00068 0.00116 0.00032 102 5PY 0.00241 0.00136 0.00039 -0.00102 0.00116 103 5PZ 0.00322 0.00186 0.00063 -0.00038 -0.00066 104 6PX -0.04916 -0.02568 0.00179 -0.00212 -0.00284 105 6PY -0.02568 -0.01951 0.00103 -0.00040 -0.00212 106 6PZ -0.03416 -0.01972 -0.01560 0.01171 0.02028 107 7PX -0.56726 -0.33916 -0.02838 -0.07712 0.34823 108 7PY -0.33916 -0.17564 -0.01639 0.43728 -0.07712 109 7PZ -0.43917 -0.25355 -0.59458 0.04158 0.07202 110 8D 0 0.00015 0.00008 -0.00049 0.00038 0.00065 111 8D+1 -0.00090 0.00007 0.00178 0.00027 0.00071 112 8D-1 0.00007 -0.00098 0.00103 0.00041 0.00027 113 8D+2 -0.00032 -0.00036 0.00006 0.00092 -0.00114 114 8D-2 -0.00072 -0.00032 0.00010 -0.00114 -0.00040 115 9D 0 0.00393 0.00227 -0.02259 -0.00651 -0.01128 116 9D+1 -0.03337 -0.01839 -0.04543 0.00520 0.01538 117 9D-1 -0.01839 -0.01214 -0.02623 0.00938 0.00520 118 9D+2 -0.01698 -0.00559 0.00744 -0.03022 0.03997 119 9D-2 -0.02519 -0.01698 0.01289 0.03997 0.01593 16 17 18 19 20 (A1)--V (E)--V (E)--V (E)--V (E)--V Eigenvalues -- 0.13761 0.16739 0.16739 0.19981 0.19981 1 1 P 1S -0.02631 0.00000 0.00000 0.00000 0.00000 2 2S 0.06447 0.00000 0.00000 0.00000 0.00000 3 3S -0.32408 0.00000 0.00000 0.00000 0.00000 4 4S -0.12337 0.00000 0.00000 0.00000 0.00000 5 5S 5.94744 0.00000 0.00000 0.00000 0.00000 6 6S 8.69140 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 -0.12023 0.00000 0.00000 -0.00493 8 7PY 0.00000 0.00000 -0.12023 -0.00493 0.00000 9 7PZ -0.03951 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.11570 0.00000 0.00000 0.02403 11 8PY 0.00000 0.00000 0.11570 0.02403 0.00000 12 8PZ -0.07168 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.09499 0.00000 0.00000 0.00341 14 9PY 0.00000 0.00000 0.09499 0.00341 0.00000 15 9PZ 0.03233 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 -3.72384 0.00000 0.00000 -0.76161 17 10PY 0.00000 0.00000 -3.72384 -0.76161 0.00000 18 10PZ -3.39983 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 -3.26016 0.00000 0.00000 -0.11705 20 11PY 0.00000 0.00000 -3.26016 -0.11705 0.00000 21 11PZ -1.19371 0.00000 0.00000 0.00000 0.00000 22 12D 0 0.01124 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.37100 0.00000 0.00000 0.01791 24 12D-1 0.00000 0.00000 0.37100 0.01791 0.00000 25 12D+2 0.00000 0.00000 0.21917 0.16682 0.00000 26 12D-2 0.00000 0.21917 0.00000 0.00000 0.16682 27 13D 0 -0.00584 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.04279 0.00000 0.00000 0.05972 29 13D-1 0.00000 0.00000 0.04279 0.05972 0.00000 30 13D+2 0.00000 0.00000 0.04605 -0.07854 0.00000 31 13D-2 0.00000 0.04605 0.00000 0.00000 -0.07854 32 14D 0 0.14948 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 1.86355 0.00000 0.00000 0.91584 34 14D-1 0.00000 0.00000 1.86355 0.91584 0.00000 35 14D+2 0.00000 0.00000 0.94650 -0.70265 0.00000 36 14D-2 0.00000 0.94650 0.00000 0.00000 -0.70265 37 15F 0 0.01620 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 -0.00888 0.00000 0.00000 0.00843 39 15F-1 0.00000 0.00000 -0.00888 0.00843 0.00000 40 15F+2 0.00000 0.00000 -0.02517 -0.01866 0.00000 41 15F-2 0.00000 -0.02517 0.00000 0.00000 -0.01866 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.02012 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.07074 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 -0.09990 0.00000 0.00000 -0.06567 46 16F-1 0.00000 0.00000 -0.09990 -0.06567 0.00000 47 16F+2 0.00000 0.00000 -0.09907 0.00946 0.00000 48 16F-2 0.00000 -0.09907 0.00000 0.00000 0.00946 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.08804 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.01226 0.00000 -0.05679 -0.00300 0.00000 52 2S -0.07548 0.00000 0.02447 0.07924 0.00000 53 3S -3.71611 0.00000 5.72587 0.91675 0.00000 54 4S -1.56032 0.00000 4.94029 0.19791 0.00000 55 5PX 0.00000 0.00428 0.00000 0.00000 -0.00958 56 5PY -0.00452 0.00000 0.00557 0.00366 0.00000 57 5PZ 0.00305 0.00000 0.00128 0.00488 0.00000 58 6PX 0.00000 0.01133 0.00000 0.00000 -0.02106 59 6PY 0.12399 0.00000 -0.15345 -0.02763 0.00000 60 6PZ -0.07196 0.00000 0.07406 0.02932 0.00000 61 7PX 0.00000 0.58271 0.00000 0.00000 0.08833 62 7PY 1.08704 0.00000 -1.29501 -0.16742 0.00000 63 7PZ -0.45279 0.00000 1.00952 0.13570 0.00000 64 8D 0 0.00042 0.00000 -0.00118 0.00310 0.00000 65 8D+1 0.00000 0.00009 0.00000 0.00000 -0.00094 66 8D-1 0.00380 0.00000 -0.00418 -0.00039 0.00000 67 8D+2 0.00232 0.00000 -0.00479 -0.00347 0.00000 68 8D-2 0.00000 0.00038 0.00000 0.00000 0.00321 69 9D 0 0.01060 0.00000 0.00797 0.01845 0.00000 70 9D+1 0.00000 0.00283 0.00000 0.00000 -0.04144 71 9D-1 0.03744 0.00000 -0.05568 -0.02043 0.00000 72 9D+2 0.04763 0.00000 -0.02348 0.02969 0.00000 73 9D-2 0.00000 -0.04977 0.00000 0.00000 0.01845 74 3 H 1S 0.01226 -0.04918 0.02839 0.00150 -0.00260 75 2S -0.07548 0.02119 -0.01224 -0.03962 0.06862 76 3S -3.71611 4.95875 -2.86293 -0.45837 0.79393 77 4S -1.56032 4.27841 -2.47014 -0.09895 0.17139 78 5PX -0.00391 0.00525 -0.00056 -0.00573 0.00035 79 5PY 0.00226 -0.00056 0.00460 -0.00627 -0.00573 80 5PZ 0.00305 0.00111 -0.00064 -0.00244 0.00423 81 6PX 0.10738 -0.11226 0.07136 0.00285 -0.02599 82 6PY -0.06200 0.07136 -0.02986 -0.02270 0.00285 83 6PZ -0.07196 0.06414 -0.03703 -0.01466 0.02539 84 7PX 0.94141 -0.82558 0.81308 0.11074 -0.10348 85 7PY -0.54352 0.81308 0.11328 0.02439 0.11074 86 7PZ -0.45279 0.87427 -0.50476 -0.06785 0.11752 87 8D 0 0.00042 -0.00102 0.00059 -0.00155 0.00268 88 8D+1 0.00329 -0.00311 0.00185 -0.00024 -0.00053 89 8D-1 -0.00190 0.00185 -0.00098 -0.00080 -0.00024 90 8D+2 -0.00116 0.00224 -0.00091 0.00154 0.00289 91 8D-2 0.00201 -0.00349 0.00224 0.00289 -0.00180 92 9D 0 0.01060 0.00690 -0.00398 -0.00922 0.01597 93 9D+1 0.03242 -0.04106 0.02534 -0.00910 -0.02568 94 9D-1 -0.01872 0.02534 -0.01180 -0.03619 -0.00910 95 9D+2 -0.02381 -0.01138 -0.04320 0.02126 -0.00487 96 9D-2 0.04124 -0.03005 -0.01138 -0.00487 0.02688 97 4 H 1S 0.01226 0.04918 0.02839 0.00150 0.00260 98 2S -0.07548 -0.02119 -0.01224 -0.03962 -0.06862 99 3S -3.71611 -4.95875 -2.86293 -0.45837 -0.79393 100 4S -1.56032 -4.27841 -2.47014 -0.09895 -0.17139 101 5PX 0.00391 0.00525 0.00056 0.00573 0.00035 102 5PY 0.00226 0.00056 0.00460 -0.00627 0.00573 103 5PZ 0.00305 -0.00111 -0.00064 -0.00244 -0.00423 104 6PX -0.10738 -0.11226 -0.07136 -0.00285 -0.02599 105 6PY -0.06200 -0.07136 -0.02986 -0.02270 -0.00285 106 6PZ -0.07196 -0.06414 -0.03703 -0.01466 -0.02539 107 7PX -0.94141 -0.82558 -0.81308 -0.11074 -0.10348 108 7PY -0.54352 -0.81308 0.11328 0.02439 -0.11074 109 7PZ -0.45279 -0.87427 -0.50476 -0.06785 -0.11752 110 8D 0 0.00042 0.00102 0.00059 -0.00155 -0.00268 111 8D+1 -0.00329 -0.00311 -0.00185 0.00024 -0.00053 112 8D-1 -0.00190 -0.00185 -0.00098 -0.00080 0.00024 113 8D+2 -0.00116 -0.00224 -0.00091 0.00154 -0.00289 114 8D-2 -0.00201 -0.00349 -0.00224 -0.00289 -0.00180 115 9D 0 0.01060 -0.00690 -0.00398 -0.00922 -0.01597 116 9D+1 -0.03242 -0.04106 -0.02534 0.00910 -0.02568 117 9D-1 -0.01872 -0.02534 -0.01180 -0.03619 0.00910 118 9D+2 -0.02381 0.01138 -0.04320 0.02126 0.00487 119 9D-2 -0.04124 -0.03005 0.01138 0.00487 0.02688 21 22 23 24 25 (A1)--V (E)--V (E)--V (A1)--V (E)--V Eigenvalues -- 0.20168 0.27599 0.27599 0.29160 0.30810 1 1 P 1S 0.00105 0.00000 0.00000 0.00475 0.00000 2 2S -0.01086 0.00000 0.00000 -0.07146 0.00000 3 3S -0.00896 0.00000 0.00000 -0.08471 0.00000 4 4S -0.01897 0.00000 0.00000 -0.05388 0.00000 5 5S 0.09173 0.00000 0.00000 -4.03721 0.00000 6 6S 0.93647 0.00000 0.00000 4.41213 0.00000 7 7PX 0.00000 -0.02376 0.00000 0.00000 0.04615 8 7PY 0.00000 0.00000 -0.02376 0.00000 0.00000 9 7PZ 0.01092 0.00000 0.00000 0.06923 0.00000 10 8PX 0.00000 -0.36266 0.00000 0.00000 0.12863 11 8PY 0.00000 0.00000 -0.36266 0.00000 0.00000 12 8PZ 0.06549 0.00000 0.00000 0.12163 0.00000 13 9PX 0.00000 0.02446 0.00000 0.00000 -0.02490 14 9PY 0.00000 0.00000 0.02446 0.00000 0.00000 15 9PZ -0.01564 0.00000 0.00000 -0.05816 0.00000 16 10PX 0.00000 -4.46997 0.00000 0.00000 -2.80291 17 10PY 0.00000 0.00000 -4.46997 0.00000 0.00000 18 10PZ -0.44434 0.00000 0.00000 1.02363 0.00000 19 11PX 0.00000 0.64574 0.00000 0.00000 -1.14071 20 11PY 0.00000 0.00000 0.64574 0.00000 0.00000 21 11PZ -0.09417 0.00000 0.00000 -0.80448 0.00000 22 12D 0 -0.07841 0.00000 0.00000 -0.19807 0.00000 23 12D+1 0.00000 0.23152 0.00000 0.00000 0.24094 24 12D-1 0.00000 0.00000 0.23152 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.39573 0.00000 0.00000 26 12D-2 0.00000 0.39573 0.00000 0.00000 0.54556 27 13D 0 0.09820 0.00000 0.00000 0.01072 0.00000 28 13D+1 0.00000 -0.04769 0.00000 0.00000 -0.02136 29 13D-1 0.00000 0.00000 -0.04769 0.00000 0.00000 30 13D+2 0.00000 0.00000 -0.05221 0.00000 0.00000 31 13D-2 0.00000 -0.05221 0.00000 0.00000 -0.04036 32 14D 0 1.09419 0.00000 0.00000 -1.39492 0.00000 33 14D+1 0.00000 -0.03781 0.00000 0.00000 1.66353 34 14D-1 0.00000 0.00000 -0.03781 0.00000 0.00000 35 14D+2 0.00000 0.00000 1.19942 0.00000 0.00000 36 14D-2 0.00000 1.19942 0.00000 0.00000 3.08630 37 15F 0 0.00730 0.00000 0.00000 -0.02245 0.00000 38 15F+1 0.00000 -0.01457 0.00000 0.00000 0.00119 39 15F-1 0.00000 0.00000 -0.01457 0.00000 0.00000 40 15F+2 0.00000 0.00000 -0.03339 0.00000 0.00000 41 15F-2 0.00000 -0.03339 0.00000 0.00000 0.00191 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.00685 0.00000 0.00000 0.02395 0.00000 44 16F 0 -0.06790 0.00000 0.00000 0.27940 0.00000 45 16F+1 0.00000 0.10764 0.00000 0.00000 -0.14774 46 16F-1 0.00000 0.00000 0.10764 0.00000 0.00000 47 16F+2 0.00000 0.00000 -0.16125 0.00000 0.00000 48 16F-2 0.00000 -0.16125 0.00000 0.00000 -0.66168 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.02503 0.00000 0.00000 -0.22352 0.00000 51 2 H 1S -0.01018 0.00000 0.06519 -0.03476 0.00000 52 2S -0.03168 0.00000 0.23847 -0.10876 0.00000 53 3S -0.30964 0.00000 8.09348 -0.40491 0.00000 54 4S -0.11492 0.00000 1.03928 -0.42321 0.00000 55 5PX 0.00000 -0.00072 0.00000 0.00000 0.00190 56 5PY -0.00560 0.00000 0.00436 -0.00537 0.00000 57 5PZ -0.00641 0.00000 -0.00965 0.00530 0.00000 58 6PX 0.00000 -0.04804 0.00000 0.00000 -0.10120 59 6PY 0.00436 0.00000 -0.18212 -0.03368 0.00000 60 6PZ -0.01831 0.00000 0.17093 -0.04053 0.00000 61 7PX 0.00000 -1.27911 0.00000 0.00000 -1.63856 62 7PY 0.00650 0.00000 -3.66295 -1.45996 0.00000 63 7PZ 0.06642 0.00000 2.08600 -0.08170 0.00000 64 8D 0 0.00032 0.00000 0.00290 0.00093 0.00000 65 8D+1 0.00000 -0.00325 0.00000 0.00000 0.00673 66 8D-1 0.00399 0.00000 -0.00141 0.00153 0.00000 67 8D+2 -0.00242 0.00000 0.00326 0.00515 0.00000 68 8D-2 0.00000 -0.00581 0.00000 0.00000 -0.00210 69 9D 0 -0.03899 0.00000 -0.04644 -0.05269 0.00000 70 9D+1 0.00000 -0.01512 0.00000 0.00000 -0.18078 71 9D-1 -0.01882 0.00000 -0.19841 -0.05362 0.00000 72 9D+2 0.00133 0.00000 -0.20884 -0.15307 0.00000 73 9D-2 0.00000 0.15038 0.00000 0.00000 0.11480 74 3 H 1S -0.01018 0.05646 -0.03260 -0.03476 0.01439 75 2S -0.03168 0.20652 -0.11924 -0.10876 0.55024 76 3S -0.30964 7.00916 -4.04674 -0.40491 5.03015 77 4S -0.11492 0.90005 -0.51964 -0.42321 1.11920 78 5PX -0.00485 0.00309 -0.00220 -0.00465 0.00358 79 5PY 0.00280 -0.00220 0.00055 0.00269 -0.00097 80 5PZ -0.00641 -0.00836 0.00483 0.00530 -0.00461 81 6PX 0.00378 -0.14860 0.05806 -0.02917 -0.10651 82 6PY -0.00218 0.05806 -0.08156 0.01684 0.00306 83 6PZ -0.01831 0.14803 -0.08546 -0.04053 0.06288 84 7PX 0.00563 -3.06699 1.03223 -1.26436 -0.27806 85 7PY -0.00325 1.03223 -1.87507 0.72998 -0.78548 86 7PZ 0.06642 1.80653 -1.04300 -0.08170 0.00474 87 8D 0 0.00032 0.00251 -0.00145 0.00093 -0.00024 88 8D+1 0.00345 -0.00187 -0.00080 0.00133 -0.00416 89 8D-1 -0.00199 -0.00080 -0.00279 -0.00077 0.00629 90 8D+2 0.00121 -0.00392 -0.00354 -0.00257 0.00044 91 8D-2 -0.00209 0.00099 -0.00392 0.00446 -0.00286 92 9D 0 -0.03899 -0.04022 0.02322 -0.05269 0.03097 93 9D+1 -0.01630 -0.15259 0.07937 -0.04644 0.06221 94 9D-1 0.00941 0.07937 -0.06094 0.02681 -0.14029 95 9D+2 -0.00067 0.15555 0.06057 0.07654 0.01433 96 9D-2 0.00115 -0.11904 0.15555 -0.13256 0.08997 97 4 H 1S -0.01018 -0.05646 -0.03260 -0.03476 -0.01439 98 2S -0.03168 -0.20652 -0.11924 -0.10876 -0.55024 99 3S -0.30964 -7.00916 -4.04674 -0.40491 -5.03015 100 4S -0.11492 -0.90005 -0.51964 -0.42321 -1.11920 101 5PX 0.00485 0.00309 0.00220 0.00465 0.00358 102 5PY 0.00280 0.00220 0.00055 0.00269 0.00097 103 5PZ -0.00641 0.00836 0.00483 0.00530 0.00461 104 6PX -0.00378 -0.14860 -0.05806 0.02917 -0.10651 105 6PY -0.00218 -0.05806 -0.08156 0.01684 -0.00306 106 6PZ -0.01831 -0.14803 -0.08546 -0.04053 -0.06288 107 7PX -0.00563 -3.06699 -1.03223 1.26436 -0.27806 108 7PY -0.00325 -1.03223 -1.87507 0.72998 0.78548 109 7PZ 0.06642 -1.80653 -1.04300 -0.08170 -0.00474 110 8D 0 0.00032 -0.00251 -0.00145 0.00093 0.00024 111 8D+1 -0.00345 -0.00187 0.00080 -0.00133 -0.00416 112 8D-1 -0.00199 0.00080 -0.00279 -0.00077 -0.00629 113 8D+2 0.00121 0.00392 -0.00354 -0.00257 -0.00044 114 8D-2 0.00209 0.00099 0.00392 -0.00446 -0.00286 115 9D 0 -0.03899 0.04022 0.02322 -0.05269 -0.03097 116 9D+1 0.01630 -0.15259 -0.07937 0.04644 0.06221 117 9D-1 0.00941 -0.07937 -0.06094 0.02681 0.14029 118 9D+2 -0.00067 -0.15555 0.06057 0.07654 -0.01433 119 9D-2 -0.00115 -0.11904 -0.15555 0.13256 0.08997 26 27 28 29 30 (E)--V (A1)--V (E)--V (E)--V (A2)--V Eigenvalues -- 0.30810 0.32460 0.32659 0.32659 0.33287 1 1 P 1S 0.00000 0.00821 0.00000 0.00000 0.00000 2 2S 0.00000 -0.02251 0.00000 0.00000 0.00000 3 3S 0.00000 0.09796 0.00000 0.00000 0.00000 4 4S 0.00000 -0.00095 0.00000 0.00000 0.00000 5 5S 0.00000 5.45552 0.00000 0.00000 0.00000 6 6S 0.00000 -2.49296 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.02110 0.00000 0.00000 8 7PY 0.04615 0.00000 0.00000 0.02110 0.00000 9 7PZ 0.00000 -0.09408 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.03392 0.00000 0.00000 11 8PY 0.12863 0.00000 0.00000 -0.03392 0.00000 12 8PZ 0.00000 0.11598 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 -0.00839 0.00000 0.00000 14 9PY -0.02490 0.00000 0.00000 -0.00839 0.00000 15 9PZ 0.00000 0.07133 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -2.87675 0.00000 0.00000 17 10PY -2.80291 0.00000 0.00000 -2.87675 0.00000 18 10PZ 0.00000 2.93579 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 -0.63903 0.00000 0.00000 20 11PY -1.14071 0.00000 0.00000 -0.63903 0.00000 21 11PZ 0.00000 1.65110 0.00000 0.00000 0.00000 22 12D 0 0.00000 -0.60400 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.57193 0.00000 0.00000 24 12D-1 0.24094 0.00000 0.00000 0.57193 0.00000 25 12D+2 0.54556 0.00000 0.00000 -0.28106 0.00000 26 12D-2 0.00000 0.00000 -0.28106 0.00000 0.00000 27 13D 0 0.00000 0.04744 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 -0.04429 0.00000 0.00000 29 13D-1 -0.02136 0.00000 0.00000 -0.04429 0.00000 30 13D+2 -0.04036 0.00000 0.00000 0.02055 0.00000 31 13D-2 0.00000 0.00000 0.02055 0.00000 0.00000 32 14D 0 0.00000 -3.33269 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 2.81163 0.00000 0.00000 34 14D-1 1.66353 0.00000 0.00000 2.81163 0.00000 35 14D+2 3.08630 0.00000 0.00000 -1.50005 0.00000 36 14D-2 0.00000 0.00000 -1.50005 0.00000 0.00000 37 15F 0 0.00000 0.00357 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00649 0.00000 0.00000 39 15F-1 0.00119 0.00000 0.00000 0.00649 0.00000 40 15F+2 0.00191 0.00000 0.00000 -0.01418 0.00000 41 15F-2 0.00000 0.00000 -0.01418 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 -0.00570 43 15F-3 0.00000 -0.01002 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.35534 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -0.63648 0.00000 0.00000 46 16F-1 -0.14774 0.00000 0.00000 -0.63648 0.00000 47 16F+2 -0.66168 0.00000 0.00000 0.12839 0.00000 48 16F-2 0.00000 0.00000 0.12839 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.41924 50 16F-3 0.00000 -0.24655 0.00000 0.00000 0.00000 51 2 H 1S 0.01662 -0.00866 0.00000 0.00744 0.00000 52 2S 0.63536 -0.19258 0.00000 0.24997 0.00000 53 3S 5.80831 -0.65479 0.00000 3.64681 0.00000 54 4S 1.29234 0.24009 0.00000 0.80151 0.00000 55 5PX 0.00000 0.00000 -0.01070 0.00000 0.00196 56 5PY 0.00414 0.00468 0.00000 0.00647 0.00000 57 5PZ -0.00532 0.00244 0.00000 0.00054 0.00000 58 6PX 0.00000 0.00000 0.14243 0.00000 0.02771 59 6PY -0.10827 -0.02498 0.00000 -0.15992 0.00000 60 6PZ 0.07261 -0.10817 0.00000 -0.05782 0.00000 61 7PX 0.00000 0.00000 1.77595 0.00000 2.03299 62 7PY 0.17544 -0.38903 0.00000 -1.99131 0.00000 63 7PZ 0.00548 -2.79504 0.00000 -2.02301 0.00000 64 8D 0 -0.00028 0.00187 0.00000 0.01048 0.00000 65 8D+1 0.00000 0.00000 -0.00193 0.00000 -0.00631 66 8D-1 -0.00779 -0.00553 0.00000 -0.00698 0.00000 67 8D+2 -0.00311 0.00362 0.00000 0.00087 0.00000 68 8D-2 0.00000 0.00000 -0.00180 0.00000 0.01446 69 9D 0 0.03576 -0.12756 0.00000 -0.28720 0.00000 70 9D+1 0.00000 0.00000 0.03161 0.00000 0.13477 71 9D-1 0.14321 0.21956 0.00000 0.12952 0.00000 72 9D+2 0.08170 -0.09922 0.00000 -0.09499 0.00000 73 9D-2 0.00000 0.00000 -0.17473 0.00000 -0.23961 74 3 H 1S -0.00831 -0.00866 0.00645 -0.00372 0.00000 75 2S -0.31768 -0.19258 0.21648 -0.12499 0.00000 76 3S -2.90416 -0.65479 3.15823 -1.82341 0.00000 77 4S -0.64617 0.24009 0.69412 -0.40075 0.00000 78 5PX -0.00097 0.00405 0.00218 -0.00743 -0.00098 79 5PY 0.00246 -0.00234 -0.00743 -0.00641 -0.00169 80 5PZ 0.00266 0.00244 0.00046 -0.00027 0.00000 81 6PX 0.00306 -0.02164 -0.08433 0.13092 -0.01386 82 6PY -0.10297 0.01249 0.13092 0.06684 -0.02400 83 6PZ -0.03630 -0.10817 -0.05007 0.02891 0.00000 84 7PX -0.78548 -0.33691 -1.04950 1.63127 -1.01649 85 7PY -1.18506 0.19451 1.63127 0.83413 -1.76062 86 7PZ -0.00274 -2.79504 -1.75198 1.01151 0.00000 87 8D 0 0.00014 0.00187 0.00908 -0.00524 0.00000 88 8D+1 0.00629 -0.00479 -0.00571 0.00218 0.00315 89 8D-1 0.00310 0.00276 0.00218 -0.00319 0.00546 90 8D+2 -0.00236 -0.00181 -0.00116 -0.00113 -0.01252 91 8D-2 0.00044 0.00313 0.00020 -0.00116 -0.00723 92 9D 0 -0.01788 -0.12756 -0.24873 0.14360 0.00000 93 9D+1 -0.14029 0.19015 0.10504 -0.04240 -0.06738 94 9D-1 -0.09978 -0.10978 -0.04240 0.05608 -0.11671 95 9D+2 0.10652 0.04961 -0.03453 -0.15479 0.20751 96 9D-2 0.01433 -0.08593 -0.11493 -0.03453 0.11980 97 4 H 1S -0.00831 -0.00866 -0.00645 -0.00372 0.00000 98 2S -0.31768 -0.19258 -0.21648 -0.12499 0.00000 99 3S -2.90416 -0.65479 -3.15823 -1.82341 0.00000 100 4S -0.64617 0.24009 -0.69412 -0.40075 0.00000 101 5PX 0.00097 -0.00405 0.00218 0.00743 -0.00098 102 5PY 0.00246 -0.00234 0.00743 -0.00641 0.00169 103 5PZ 0.00266 0.00244 -0.00046 -0.00027 0.00000 104 6PX -0.00306 0.02164 -0.08433 -0.13092 -0.01386 105 6PY -0.10297 0.01249 -0.13092 0.06684 0.02400 106 6PZ -0.03630 -0.10817 0.05007 0.02891 0.00000 107 7PX 0.78548 0.33691 -1.04950 -1.63127 -1.01649 108 7PY -1.18506 0.19451 -1.63127 0.83413 1.76062 109 7PZ -0.00274 -2.79504 1.75198 1.01151 0.00000 110 8D 0 0.00014 0.00187 -0.00908 -0.00524 0.00000 111 8D+1 -0.00629 0.00479 -0.00571 -0.00218 0.00315 112 8D-1 0.00310 0.00276 -0.00218 -0.00319 -0.00546 113 8D+2 -0.00236 -0.00181 0.00116 -0.00113 0.01252 114 8D-2 -0.00044 -0.00313 0.00020 0.00116 -0.00723 115 9D 0 -0.01788 -0.12756 0.24873 0.14360 0.00000 116 9D+1 0.14029 -0.19015 0.10504 0.04240 -0.06738 117 9D-1 -0.09978 -0.10978 0.04240 0.05608 0.11671 118 9D+2 0.10652 0.04961 0.03453 -0.15479 -0.20751 119 9D-2 -0.01433 0.08593 -0.11493 0.03453 0.11980 31 32 33 34 35 (E)--V (E)--V (A1)--V (E)--V (E)--V Eigenvalues -- 0.38021 0.38021 0.38367 0.56725 0.56725 1 1 P 1S 0.00000 0.00000 0.03475 0.00000 0.00000 2 2S 0.00000 0.00000 -0.18111 0.00000 0.00000 3 3S 0.00000 0.00000 0.21157 0.00000 0.00000 4 4S 0.00000 0.00000 -0.12974 0.00000 0.00000 5 5S 0.00000 0.00000 20.15334 0.00000 0.00000 6 6S 0.00000 0.00000 8.76680 0.00000 0.00000 7 7PX -0.11143 0.00000 0.00000 -0.01784 0.00000 8 7PY 0.00000 0.11143 0.00000 0.00000 -0.01784 9 7PZ 0.00000 0.00000 0.03116 0.00000 0.00000 10 8PX 0.52689 0.00000 0.00000 0.37531 0.00000 11 8PY 0.00000 -0.52689 0.00000 0.00000 0.37531 12 8PZ 0.00000 0.00000 -0.72904 0.00000 0.00000 13 9PX 0.06978 0.00000 0.00000 0.00996 0.00000 14 9PY 0.00000 -0.06978 0.00000 0.00000 0.00996 15 9PZ 0.00000 0.00000 -0.00423 0.00000 0.00000 16 10PX 11.92253 0.00000 0.00000 -0.75334 0.00000 17 10PY 0.00000 -11.92253 0.00000 0.00000 -0.75334 18 10PZ 0.00000 0.00000 -8.76485 0.00000 0.00000 19 11PX 3.30570 0.00000 0.00000 0.10705 0.00000 20 11PY 0.00000 -3.30570 0.00000 0.00000 0.10705 21 11PZ 0.00000 0.00000 -0.78670 0.00000 0.00000 22 12D 0 0.00000 0.00000 0.09551 0.00000 0.00000 23 12D+1 -0.59172 0.00000 0.00000 -0.64812 0.00000 24 12D-1 0.00000 0.59172 0.00000 0.00000 -0.64812 25 12D+2 0.00000 0.16647 0.00000 0.00000 1.30248 26 12D-2 -0.16647 0.00000 0.00000 1.30248 0.00000 27 13D 0 0.00000 0.00000 -0.01141 0.00000 0.00000 28 13D+1 0.06409 0.00000 0.00000 -0.10311 0.00000 29 13D-1 0.00000 -0.06409 0.00000 0.00000 -0.10311 30 13D+2 0.00000 -0.02363 0.00000 0.00000 0.05818 31 13D-2 0.02363 0.00000 0.00000 0.05818 0.00000 32 14D 0 0.00000 0.00000 0.56444 0.00000 0.00000 33 14D+1 -4.07988 0.00000 0.00000 0.64150 0.00000 34 14D-1 0.00000 4.07988 0.00000 0.00000 0.64150 35 14D+2 0.00000 1.16094 0.00000 0.00000 -0.06121 36 14D-2 -1.16094 0.00000 0.00000 -0.06121 0.00000 37 15F 0 0.00000 0.00000 0.05112 0.00000 0.00000 38 15F+1 0.00196 0.00000 0.00000 0.04185 0.00000 39 15F-1 0.00000 -0.00196 0.00000 0.00000 0.04185 40 15F+2 0.00000 -0.02310 0.00000 0.00000 -0.06582 41 15F-2 0.02310 0.00000 0.00000 -0.06582 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 -0.05561 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.03439 0.00000 0.00000 45 16F+1 0.08090 0.00000 0.00000 0.01707 0.00000 46 16F-1 0.00000 -0.08090 0.00000 0.00000 0.01707 47 16F+2 0.00000 0.00896 0.00000 0.00000 -0.24342 48 16F-2 -0.00896 0.00000 0.00000 -0.24342 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.06349 0.00000 0.00000 51 2 H 1S 0.00000 0.04181 -0.01922 0.00000 -0.01267 52 2S 0.00000 0.38580 -0.27150 0.00000 0.52173 53 3S 0.00000 13.52527 -9.27166 0.00000 -0.38752 54 4S 0.00000 3.97582 -1.17298 0.00000 -0.28723 55 5PX 0.00353 0.00000 0.00000 0.00490 0.00000 56 5PY 0.00000 0.01744 -0.02516 0.00000 -0.01085 57 5PZ 0.00000 -0.00651 0.01281 0.00000 -0.00099 58 6PX -0.04480 0.00000 0.00000 0.00722 0.00000 59 6PY 0.00000 -0.24386 0.26135 0.00000 -0.04916 60 6PZ 0.00000 0.09665 -0.14995 0.00000 0.03127 61 7PX -2.70874 0.00000 0.00000 -0.23158 0.00000 62 7PY 0.00000 -1.77152 3.04019 0.00000 0.99975 63 7PZ 0.00000 2.76093 -1.25029 0.00000 0.15096 64 8D 0 0.00000 -0.00982 -0.00074 0.00000 0.00172 65 8D+1 0.00574 0.00000 0.00000 -0.00032 0.00000 66 8D-1 0.00000 0.00285 0.00513 0.00000 -0.00015 67 8D+2 0.00000 -0.00911 0.00183 0.00000 -0.00923 68 8D-2 -0.00859 0.00000 0.00000 0.00750 0.00000 69 9D 0 0.00000 0.11912 0.04489 0.00000 0.15420 70 9D+1 -0.07470 0.00000 0.00000 -0.18023 0.00000 71 9D-1 0.00000 -0.14580 0.16035 0.00000 -0.00801 72 9D+2 0.00000 0.04710 0.17868 0.00000 0.22187 73 9D-2 0.24004 0.00000 0.00000 0.11985 0.00000 74 3 H 1S -0.03621 -0.02091 -0.01922 -0.01097 0.00634 75 2S -0.33411 -0.19290 -0.27150 0.45183 -0.26087 76 3S -11.71323 -6.76263 -9.27166 -0.33561 0.19376 77 4S -3.44316 -1.98791 -1.17298 -0.24875 0.14362 78 5PX -0.01219 -0.00908 -0.02179 -0.00692 0.00682 79 5PY 0.00908 0.00171 0.01258 0.00682 0.00096 80 5PZ 0.00563 0.00325 0.01281 -0.00085 0.00049 81 6PX 0.17169 0.12499 0.22633 -0.03506 0.02441 82 6PY -0.12499 -0.02736 -0.13067 0.02441 -0.00688 83 6PZ -0.08370 -0.04833 -0.14995 0.02708 -0.01563 84 7PX 0.65146 1.94001 2.63288 0.69192 -0.53318 85 7PY -1.94001 1.58868 -1.52009 -0.53318 0.07625 86 7PZ -2.39104 -1.38047 -1.25029 0.13073 -0.07548 87 8D 0 0.00851 0.00491 -0.00074 0.00149 -0.00086 88 8D+1 -0.00070 -0.00372 0.00444 -0.00019 -0.00008 89 8D-1 0.00372 -0.00359 -0.00256 -0.00008 -0.00028 90 8D+2 -0.00766 0.00416 -0.00092 0.00725 0.00332 91 8D-2 0.00469 0.00766 0.00159 -0.00505 0.00725 92 9D 0 -0.10316 -0.05956 0.04489 0.13354 -0.07710 93 9D+1 0.09067 0.09548 0.13887 -0.05106 -0.07457 94 9D-1 -0.09548 0.01958 -0.08017 -0.07457 -0.13717 95 9D+2 0.12434 -0.16825 -0.08934 -0.04418 0.14535 96 9D-2 0.02468 -0.12434 0.15474 0.19636 -0.04418 97 4 H 1S 0.03621 -0.02091 -0.01922 0.01097 0.00634 98 2S 0.33411 -0.19290 -0.27150 -0.45183 -0.26087 99 3S 11.71323 -6.76263 -9.27166 0.33561 0.19376 100 4S 3.44316 -1.98791 -1.17298 0.24875 0.14362 101 5PX -0.01219 0.00908 0.02179 -0.00692 -0.00682 102 5PY -0.00908 0.00171 0.01258 -0.00682 0.00096 103 5PZ -0.00563 0.00325 0.01281 0.00085 0.00049 104 6PX 0.17169 -0.12499 -0.22633 -0.03506 -0.02441 105 6PY 0.12499 -0.02736 -0.13067 -0.02441 -0.00688 106 6PZ 0.08370 -0.04833 -0.14995 -0.02708 -0.01563 107 7PX 0.65146 -1.94001 -2.63288 0.69192 0.53318 108 7PY 1.94001 1.58868 -1.52009 0.53318 0.07625 109 7PZ 2.39104 -1.38047 -1.25029 -0.13073 -0.07548 110 8D 0 -0.00851 0.00491 -0.00074 -0.00149 -0.00086 111 8D+1 -0.00070 0.00372 -0.00444 -0.00019 0.00008 112 8D-1 -0.00372 -0.00359 -0.00256 0.00008 -0.00028 113 8D+2 0.00766 0.00416 -0.00092 -0.00725 0.00332 114 8D-2 0.00469 -0.00766 -0.00159 -0.00505 -0.00725 115 9D 0 0.10316 -0.05956 0.04489 -0.13354 -0.07710 116 9D+1 0.09067 -0.09548 -0.13887 -0.05106 0.07457 117 9D-1 0.09548 0.01958 -0.08017 0.07457 -0.13717 118 9D+2 -0.12434 -0.16825 -0.08934 0.04418 0.14535 119 9D-2 0.02468 0.12434 -0.15474 0.19636 0.04418 36 37 38 39 40 (A1)--V (E)--V (E)--V (A1)--V (A1)--V Eigenvalues -- 0.56873 0.60142 0.60142 0.63142 0.65789 1 1 P 1S -0.00118 0.00000 0.00000 -0.00963 -0.01438 2 2S -0.04355 0.00000 0.00000 0.08380 -0.04389 3 3S -0.13284 0.00000 0.00000 0.01453 -0.37480 4 4S -0.12700 0.00000 0.00000 0.01833 -0.19318 5 5S 2.01150 0.00000 0.00000 5.42696 4.39624 6 6S 2.37385 0.00000 0.00000 -1.20395 3.79052 7 7PX 0.00000 0.05601 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.05601 0.00000 0.00000 9 7PZ -0.03123 0.00000 0.00000 0.06140 -0.04372 10 8PX 0.00000 -1.38013 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 -1.38013 0.00000 0.00000 12 8PZ 0.46165 0.00000 0.00000 -1.00360 0.13626 13 9PX 0.00000 -0.02682 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 -0.02682 0.00000 0.00000 15 9PZ 0.00166 0.00000 0.00000 -0.01042 0.04939 16 10PX 0.00000 0.21468 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.21468 0.00000 0.00000 18 10PZ -1.31198 0.00000 0.00000 3.95951 -0.10987 19 11PX 0.00000 0.19150 0.00000 0.00000 0.00000 20 11PY 0.00000 0.00000 0.19150 0.00000 0.00000 21 11PZ -0.12881 0.00000 0.00000 0.38421 -0.34658 22 12D 0 -1.25042 0.00000 0.00000 -0.79611 -0.27835 23 12D+1 0.00000 -0.17874 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 -0.17874 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.73199 0.00000 0.00000 26 12D-2 0.00000 0.73199 0.00000 0.00000 0.00000 27 13D 0 -0.11394 0.00000 0.00000 0.03624 0.05751 28 13D+1 0.00000 0.13520 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.13520 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.10979 0.00000 0.00000 31 13D-2 0.00000 0.10979 0.00000 0.00000 0.00000 32 14D 0 0.42562 0.00000 0.00000 -2.21242 -1.75689 33 14D+1 0.00000 -1.30643 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 -1.30643 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.56843 0.00000 0.00000 36 14D-2 0.00000 0.56843 0.00000 0.00000 0.00000 37 15F 0 0.04442 0.00000 0.00000 -0.01081 0.06131 38 15F+1 0.00000 0.00433 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00433 0.00000 0.00000 40 15F+2 0.00000 0.00000 -0.05664 0.00000 0.00000 41 15F-2 0.00000 -0.05664 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.04867 0.00000 0.00000 -0.09416 0.00195 44 16F 0 0.14794 0.00000 0.00000 0.58075 0.31659 45 16F+1 0.00000 0.17841 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.17841 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.06818 0.00000 0.00000 48 16F-2 0.00000 0.06818 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.30400 0.00000 0.00000 0.23115 -1.04348 51 2 H 1S 0.03443 0.00000 -0.00676 0.02235 0.08545 52 2S -0.08616 0.00000 -1.16893 0.42184 0.21193 53 3S -1.55101 0.00000 7.72365 -1.34666 -2.97696 54 4S -0.23655 0.00000 0.79025 0.06634 -0.39418 55 5PX 0.00000 0.01671 0.00000 0.00000 0.00000 56 5PY -0.00384 0.00000 0.03381 0.00316 -0.00350 57 5PZ 0.00487 0.00000 -0.02070 0.01856 0.01974 58 6PX 0.00000 -0.12500 0.00000 0.00000 0.00000 59 6PY 0.11164 0.00000 -0.16762 -0.01513 0.09077 60 6PZ -0.02586 0.00000 0.14273 -0.18760 -0.21422 61 7PX 0.00000 -2.26372 0.00000 0.00000 0.00000 62 7PY -0.11793 0.00000 -4.24891 0.00964 -0.35219 63 7PZ -0.30555 0.00000 1.91024 -2.25096 -1.21105 64 8D 0 0.00258 0.00000 0.01138 0.00583 0.00218 65 8D+1 0.00000 0.00197 0.00000 0.00000 0.00000 66 8D-1 0.00860 0.00000 -0.00786 0.00279 0.00098 67 8D+2 -0.00087 0.00000 0.00072 0.00181 0.00905 68 8D-2 0.00000 -0.00832 0.00000 0.00000 0.00000 69 9D 0 -0.16435 0.00000 -0.11834 -0.20572 -0.12193 70 9D+1 0.00000 -0.07830 0.00000 0.00000 0.00000 71 9D-1 -0.03137 0.00000 -0.37974 0.24770 0.03142 72 9D+2 -0.06516 0.00000 -0.36031 -0.05238 -0.18105 73 9D-2 0.00000 0.35707 0.00000 0.00000 0.00000 74 3 H 1S 0.03443 -0.00586 0.00338 0.02235 0.08545 75 2S -0.08616 -1.01232 0.58446 0.42184 0.21193 76 3S -1.55101 6.68887 -3.86182 -1.34666 -2.97696 77 4S -0.23655 0.68437 -0.39512 0.06634 -0.39418 78 5PX -0.00332 0.02953 -0.00740 0.00274 -0.00303 79 5PY 0.00192 -0.00740 0.02099 -0.00158 0.00175 80 5PZ 0.00487 -0.01792 0.01035 0.01856 0.01974 81 6PX 0.09668 -0.15697 0.01846 -0.01310 0.07861 82 6PY -0.05582 0.01846 -0.13565 0.00757 -0.04538 83 6PZ -0.02586 0.12361 -0.07137 -0.18760 -0.21422 84 7PX -0.10213 -3.75261 0.85961 0.00834 -0.30500 85 7PY 0.05896 0.85961 -2.76002 -0.00482 0.17609 86 7PZ -0.30555 1.65432 -0.95512 -2.25096 -1.21105 87 8D 0 0.00258 0.00985 -0.00569 0.00583 0.00218 88 8D+1 0.00745 -0.00540 0.00425 0.00241 0.00085 89 8D-1 -0.00430 0.00425 -0.00049 -0.00139 -0.00049 90 8D+2 0.00043 -0.00391 -0.00606 -0.00091 -0.00452 91 8D-2 -0.00075 -0.00154 -0.00391 0.00157 0.00783 92 9D 0 -0.16435 -0.10249 0.05917 -0.20572 -0.12193 93 9D+1 -0.02717 -0.30438 0.13053 0.21451 0.02721 94 9D-1 0.01569 0.13053 -0.15366 -0.12385 -0.01571 95 9D+2 0.03258 0.31064 0.17773 0.02619 0.09052 96 9D-2 -0.05643 -0.18097 0.31064 -0.04537 -0.15679 97 4 H 1S 0.03443 0.00586 0.00338 0.02235 0.08545 98 2S -0.08616 1.01232 0.58446 0.42184 0.21193 99 3S -1.55101 -6.68887 -3.86182 -1.34666 -2.97696 100 4S -0.23655 -0.68437 -0.39512 0.06634 -0.39418 101 5PX 0.00332 0.02953 0.00740 -0.00274 0.00303 102 5PY 0.00192 0.00740 0.02099 -0.00158 0.00175 103 5PZ 0.00487 0.01792 0.01035 0.01856 0.01974 104 6PX -0.09668 -0.15697 -0.01846 0.01310 -0.07861 105 6PY -0.05582 -0.01846 -0.13565 0.00757 -0.04538 106 6PZ -0.02586 -0.12361 -0.07137 -0.18760 -0.21422 107 7PX 0.10213 -3.75261 -0.85961 -0.00834 0.30500 108 7PY 0.05896 -0.85961 -2.76002 -0.00482 0.17609 109 7PZ -0.30555 -1.65432 -0.95512 -2.25096 -1.21105 110 8D 0 0.00258 -0.00985 -0.00569 0.00583 0.00218 111 8D+1 -0.00745 -0.00540 -0.00425 -0.00241 -0.00085 112 8D-1 -0.00430 -0.00425 -0.00049 -0.00139 -0.00049 113 8D+2 0.00043 0.00391 -0.00606 -0.00091 -0.00452 114 8D-2 0.00075 -0.00154 0.00391 -0.00157 -0.00783 115 9D 0 -0.16435 0.10249 0.05917 -0.20572 -0.12193 116 9D+1 0.02717 -0.30438 -0.13053 -0.21451 -0.02721 117 9D-1 0.01569 -0.13053 -0.15366 -0.12385 -0.01571 118 9D+2 0.03258 -0.31064 0.17773 0.02619 0.09052 119 9D-2 0.05643 -0.18097 -0.31064 0.04537 0.15679 41 42 43 44 45 (A1)--V (E)--V (E)--V (A2)--V (E)--V Eigenvalues -- 0.66653 0.72992 0.72992 0.74858 0.76544 1 1 P 1S 0.00173 0.00000 0.00000 0.00000 0.00000 2 2S -0.09733 0.00000 0.00000 0.00000 0.00000 3 3S -0.19674 0.00000 0.00000 0.00000 0.00000 4 4S -0.12238 0.00000 0.00000 0.00000 0.00000 5 5S -2.59638 0.00000 0.00000 0.00000 0.00000 6 6S 3.89827 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00469 0.00000 -0.11483 8 7PY 0.00000 0.00469 0.00000 0.00000 0.00000 9 7PZ -0.07948 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.39167 0.00000 0.03767 11 8PY 0.00000 0.39167 0.00000 0.00000 0.00000 12 8PZ 0.98740 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.02761 0.00000 0.12273 14 9PY 0.00000 0.02761 0.00000 0.00000 0.00000 15 9PZ 0.04226 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -1.94846 0.00000 -13.79635 17 10PY 0.00000 -1.94846 0.00000 0.00000 0.00000 18 10PZ -3.89610 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 -0.54761 0.00000 -1.20202 20 11PY 0.00000 -0.54761 0.00000 0.00000 0.00000 21 11PZ -0.75775 0.00000 0.00000 0.00000 0.00000 22 12D 0 0.62676 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.27377 0.00000 1.40862 24 12D-1 0.00000 0.27377 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.61896 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.61896 0.00000 1.57108 27 13D 0 0.02605 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 -0.10739 0.00000 0.09398 29 13D-1 0.00000 -0.10739 0.00000 0.00000 0.00000 30 13D+2 0.00000 -0.12212 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 -0.12212 0.00000 0.01723 32 14D 0 1.14075 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 1.35270 0.00000 2.40337 34 14D-1 0.00000 1.35270 0.00000 0.00000 0.00000 35 14D+2 0.00000 1.94780 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 1.94780 0.00000 2.89410 37 15F 0 -0.09455 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00685 0.00000 -0.07317 39 15F-1 0.00000 0.00685 0.00000 0.00000 0.00000 40 15F+2 0.00000 -0.02109 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 -0.02109 0.00000 -0.15578 42 15F+3 0.00000 0.00000 0.00000 -0.02614 0.00000 43 15F-3 -0.01556 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.92344 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -0.75365 0.00000 0.86022 46 16F-1 0.00000 -0.75365 0.00000 0.00000 0.00000 47 16F+2 0.00000 -1.63077 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 -1.63077 0.00000 -0.79913 49 16F+3 0.00000 0.00000 0.00000 1.62635 0.00000 50 16F-3 0.11527 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.03597 -0.06705 0.00000 0.00000 0.00000 52 2S -0.24110 0.74186 0.00000 0.00000 0.00000 53 3S -0.66958 4.58477 0.00000 0.00000 0.00000 54 4S -0.36319 0.61631 0.00000 0.00000 0.00000 55 5PX 0.00000 0.00000 0.02406 -0.02425 0.00676 56 5PY -0.00478 0.00359 0.00000 0.00000 0.00000 57 5PZ -0.00362 0.01165 0.00000 0.00000 0.00000 58 6PX 0.00000 0.00000 -0.19195 0.11702 -0.08904 59 6PY 0.04943 -0.18844 0.00000 0.00000 0.00000 60 6PZ 0.02767 0.06275 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00000 -1.38056 1.64524 0.05296 62 7PY -0.17635 -0.30602 0.00000 0.00000 0.00000 63 7PZ 1.49507 -0.63914 0.00000 0.00000 0.00000 64 8D 0 -0.00050 0.01010 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00952 -0.00715 0.00084 66 8D-1 -0.00001 -0.00808 0.00000 0.00000 0.00000 67 8D+2 -0.00237 0.00321 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 -0.00794 0.02063 0.00610 69 9D 0 0.11858 -0.10709 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 -0.34039 0.19687 -0.17219 71 9D-1 -0.20758 0.35642 0.00000 0.00000 0.00000 72 9D+2 -0.06129 0.11082 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.22412 -0.34441 0.03061 74 3 H 1S 0.03597 0.03353 -0.05807 0.00000 -0.08327 75 2S -0.24110 -0.37093 0.64247 0.00000 0.62489 76 3S -0.66958 -2.29239 3.97053 0.00000 15.44726 77 4S -0.36319 -0.30815 0.53374 0.00000 1.52460 78 5PX -0.00414 0.00886 0.00870 0.01213 0.01213 79 5PY 0.00239 0.01894 0.00886 0.02100 -0.00310 80 5PZ -0.00362 -0.00582 0.01009 0.00000 -0.03502 81 6PX 0.04281 -0.00152 -0.18932 -0.05851 -0.40750 82 6PY -0.02471 -0.19108 -0.00152 -0.10134 0.18386 83 6PZ 0.02767 -0.03138 0.05435 0.00000 0.47562 84 7PX -0.15273 -0.46529 -0.57465 -0.82262 -1.98538 85 7PY 0.08818 -1.11193 -0.46529 -1.42482 1.17683 86 7PZ 1.49507 0.31957 -0.55351 0.00000 3.41046 87 8D 0 -0.00050 -0.00505 0.00875 0.00000 -0.01406 88 8D+1 -0.00001 0.00762 -0.00368 0.00358 -0.01123 89 8D-1 0.00000 0.00512 0.00762 0.00620 0.00697 90 8D+2 0.00118 -0.00516 -0.00483 -0.01787 0.01306 91 8D-2 -0.00205 -0.00483 0.00042 -0.01032 -0.01651 92 9D 0 0.11858 0.05355 -0.09275 0.00000 0.27400 93 9D+1 -0.17977 -0.30173 0.18221 -0.09843 -0.24217 94 9D-1 0.10379 -0.16619 -0.30173 -0.17049 0.04041 95 9D+2 0.03065 0.19579 0.04906 0.29827 -0.00021 96 9D-2 -0.05308 0.04906 0.13914 0.17221 0.03097 97 4 H 1S 0.03597 0.03353 0.05807 0.00000 0.08327 98 2S -0.24110 -0.37093 -0.64247 0.00000 -0.62489 99 3S -0.66958 -2.29239 -3.97053 0.00000 -15.44726 100 4S -0.36319 -0.30815 -0.53374 0.00000 -1.52460 101 5PX 0.00414 -0.00886 0.00870 0.01213 0.01213 102 5PY 0.00239 0.01894 -0.00886 -0.02100 0.00310 103 5PZ -0.00362 -0.00582 -0.01009 0.00000 0.03502 104 6PX -0.04281 0.00152 -0.18932 -0.05851 -0.40750 105 6PY -0.02471 -0.19108 0.00152 0.10134 -0.18386 106 6PZ 0.02767 -0.03138 -0.05435 0.00000 -0.47562 107 7PX 0.15273 0.46529 -0.57465 -0.82262 -1.98538 108 7PY 0.08818 -1.11193 0.46529 1.42482 -1.17683 109 7PZ 1.49507 0.31957 0.55351 0.00000 -3.41046 110 8D 0 -0.00050 -0.00505 -0.00875 0.00000 0.01406 111 8D+1 0.00001 -0.00762 -0.00368 0.00358 -0.01123 112 8D-1 0.00000 0.00512 -0.00762 -0.00620 -0.00697 113 8D+2 0.00118 -0.00516 0.00483 0.01787 -0.01306 114 8D-2 0.00205 0.00483 0.00042 -0.01032 -0.01651 115 9D 0 0.11858 0.05355 0.09275 0.00000 -0.27400 116 9D+1 0.17977 0.30173 0.18221 -0.09843 -0.24217 117 9D-1 0.10379 -0.16619 0.30173 0.17049 -0.04041 118 9D+2 0.03065 0.19579 -0.04906 -0.29827 0.00021 119 9D-2 0.05308 -0.04906 0.13914 0.17221 0.03097 46 47 48 49 50 (E)--V (E)--V (E)--V (A1)--V (E)--V Eigenvalues -- 0.76544 0.78328 0.78328 0.86002 0.93218 1 1 P 1S 0.00000 0.00000 0.00000 -0.03920 0.00000 2 2S 0.00000 0.00000 0.00000 0.07177 0.00000 3 3S 0.00000 0.00000 0.00000 -0.58805 0.00000 4 4S 0.00000 0.00000 0.00000 -0.30671 0.00000 5 5S 0.00000 0.00000 0.00000 15.93102 0.00000 6 6S 0.00000 0.00000 0.00000 4.77488 0.00000 7 7PX 0.00000 -0.10603 0.00000 0.00000 -0.01657 8 7PY -0.11483 0.00000 -0.10603 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 -0.14967 0.00000 10 8PX 0.00000 0.03416 0.00000 0.00000 0.40010 11 8PY 0.03767 0.00000 0.03416 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.48889 0.00000 13 9PX 0.00000 0.11653 0.00000 0.00000 0.04463 14 9PY 0.12273 0.00000 0.11653 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.17180 0.00000 16 10PX 0.00000 -13.42889 0.00000 0.00000 -0.23864 17 10PY -13.79635 0.00000 -13.42889 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 -8.19463 0.00000 19 11PX 0.00000 -1.22656 0.00000 0.00000 -0.44654 20 11PY -1.20202 0.00000 -1.22656 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00000 -0.76079 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.77547 0.00000 23 12D+1 0.00000 2.12233 0.00000 0.00000 0.13719 24 12D-1 1.40862 0.00000 2.12233 0.00000 0.00000 25 12D+2 1.57108 0.00000 0.35444 0.00000 0.00000 26 12D-2 0.00000 0.35444 0.00000 0.00000 -0.87563 27 13D 0 0.00000 0.00000 0.00000 -0.05166 0.00000 28 13D+1 0.00000 0.02517 0.00000 0.00000 -0.12601 29 13D-1 0.09398 0.00000 0.02517 0.00000 0.00000 30 13D+2 0.01723 0.00000 0.10363 0.00000 0.00000 31 13D-2 0.00000 0.10363 0.00000 0.00000 -0.02369 32 14D 0 0.00000 0.00000 0.00000 1.69937 0.00000 33 14D+1 0.00000 4.22825 0.00000 0.00000 0.69599 34 14D-1 2.40337 0.00000 4.22825 0.00000 0.00000 35 14D+2 2.89410 0.00000 0.09093 0.00000 0.00000 36 14D-2 0.00000 0.09093 0.00000 0.00000 -0.60130 37 15F 0 0.00000 0.00000 0.00000 0.12069 0.00000 38 15F+1 0.00000 -0.06898 0.00000 0.00000 -0.04809 39 15F-1 -0.07317 0.00000 -0.06898 0.00000 0.00000 40 15F+2 -0.15578 0.00000 -0.12749 0.00000 0.00000 41 15F-2 0.00000 -0.12749 0.00000 0.00000 0.00769 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 -0.13916 0.00000 44 16F 0 0.00000 0.00000 0.00000 -0.70558 0.00000 45 16F+1 0.00000 -1.45552 0.00000 0.00000 -0.42919 46 16F-1 0.86022 0.00000 -1.45552 0.00000 0.00000 47 16F+2 -0.79913 0.00000 0.23268 0.00000 0.00000 48 16F-2 0.00000 0.23268 0.00000 0.00000 1.17963 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 1.11982 0.00000 51 2 H 1S -0.09615 0.00000 -0.08214 0.07013 0.00000 52 2S 0.72156 0.00000 0.76764 0.62970 0.00000 53 3S 17.83696 0.00000 16.24845 -7.13173 0.00000 54 4S 1.76046 0.00000 1.70288 -0.54154 0.00000 55 5PX 0.00000 -0.03137 0.00000 0.00000 -0.02561 56 5PY 0.01393 0.00000 0.04144 -0.03754 0.00000 57 5PZ -0.04044 0.00000 0.00440 -0.00103 0.00000 58 6PX 0.00000 0.30974 0.00000 0.00000 0.28001 59 6PY -0.51365 0.00000 -0.67291 0.58614 0.00000 60 6PZ 0.54919 0.00000 0.20066 -0.12902 0.00000 61 7PX 0.00000 2.40738 0.00000 0.00000 1.18505 62 7PY -2.66482 0.00000 -4.08159 2.64977 0.00000 63 7PZ 3.93806 0.00000 0.88799 0.13483 0.00000 64 8D 0 -0.01624 0.00000 0.00420 -0.00459 0.00000 65 8D+1 0.00000 -0.01086 0.00000 0.00000 0.02746 66 8D-1 -0.01525 0.00000 -0.02421 0.01833 0.00000 67 8D+2 -0.02405 0.00000 -0.00952 0.01566 0.00000 68 8D-2 0.00000 -0.00240 0.00000 0.00000 0.01621 69 9D 0 0.31639 0.00000 -0.38160 0.30664 0.00000 70 9D+1 0.00000 0.14223 0.00000 0.00000 -0.39252 71 9D-1 -0.26550 0.00000 0.02843 0.10915 0.00000 72 9D+2 0.03109 0.00000 -0.31038 0.27770 0.00000 73 9D-2 0.00000 -0.36915 0.00000 0.00000 -0.68882 74 3 H 1S 0.04808 -0.07114 0.04107 0.07013 0.00542 75 2S -0.36078 0.66479 -0.38382 0.62970 -0.89163 76 3S -8.91848 14.07157 -8.12423 -7.13173 -0.86634 77 4S -0.88023 1.47474 -0.85144 -0.54154 0.09990 78 5PX -0.00310 0.02324 -0.03153 -0.03251 -0.00722 79 5PY 0.00855 -0.03153 -0.01317 0.01877 -0.01062 80 5PZ 0.02022 0.00381 -0.00220 -0.00103 0.01103 81 6PX 0.18386 -0.42725 0.42550 0.50762 -0.00785 82 6PY -0.19519 0.42550 0.06408 -0.29307 0.16620 83 6PZ -0.27460 0.17378 -0.10033 -0.12902 -0.08932 84 7PX 1.17683 -2.45935 2.80980 2.29477 0.79854 85 7PY -0.62649 2.80980 0.78514 -1.32489 0.22315 86 7PZ -1.96903 0.76903 -0.44400 0.13483 -0.58216 87 8D 0 0.00812 0.00364 -0.00210 -0.00459 -0.00250 88 8D+1 0.00697 -0.02087 0.00578 0.01587 -0.00235 89 8D-1 -0.00318 0.00578 -0.01420 -0.00916 0.01721 90 8D+2 -0.00143 0.00308 -0.00418 -0.00783 0.01258 91 8D-2 0.01306 -0.00774 0.00308 0.01356 -0.00557 92 9D 0 -0.15819 -0.33047 0.19080 0.30664 -0.13063 93 9D+1 0.04041 0.05688 0.04928 0.09453 0.25597 94 9D-1 -0.19551 0.04928 0.11378 -0.05457 -0.37441 95 9D+2 0.03073 -0.02545 -0.35445 -0.13885 -0.41809 96 9D-2 -0.00021 -0.32507 -0.02545 0.24050 0.03534 97 4 H 1S 0.04808 0.07114 0.04107 0.07013 -0.00542 98 2S -0.36078 -0.66479 -0.38382 0.62970 0.89163 99 3S -8.91848 -14.07157 -8.12423 -7.13173 0.86634 100 4S -0.88023 -1.47474 -0.85144 -0.54154 -0.09990 101 5PX 0.00310 0.02324 0.03153 0.03251 -0.00722 102 5PY 0.00855 0.03153 -0.01317 0.01877 0.01062 103 5PZ 0.02022 -0.00381 -0.00220 -0.00103 -0.01103 104 6PX -0.18386 -0.42725 -0.42550 -0.50762 -0.00785 105 6PY -0.19519 -0.42550 0.06408 -0.29307 -0.16620 106 6PZ -0.27460 -0.17378 -0.10033 -0.12902 0.08932 107 7PX -1.17683 -2.45935 -2.80980 -2.29477 0.79854 108 7PY -0.62649 -2.80980 0.78514 -1.32489 -0.22315 109 7PZ -1.96903 -0.76903 -0.44400 0.13483 0.58216 110 8D 0 0.00812 -0.00364 -0.00210 -0.00459 0.00250 111 8D+1 -0.00697 -0.02087 -0.00578 -0.01587 -0.00235 112 8D-1 -0.00318 -0.00578 -0.01420 -0.00916 -0.01721 113 8D+2 -0.00143 -0.00308 -0.00418 -0.00783 -0.01258 114 8D-2 -0.01306 -0.00774 -0.00308 -0.01356 -0.00557 115 9D 0 -0.15819 0.33047 0.19080 0.30664 0.13063 116 9D+1 -0.04041 0.05688 -0.04928 -0.09453 0.25597 117 9D-1 -0.19551 -0.04928 0.11378 -0.05457 0.37441 118 9D+2 0.03073 0.02545 -0.35445 -0.13885 0.41809 119 9D-2 0.00021 -0.32507 0.02545 -0.24050 0.03534 51 52 53 54 55 (E)--V (A1)--V (A2)--V (E)--V (E)--V Eigenvalues -- 0.93218 0.96696 0.97676 1.00552 1.00552 1 1 P 1S 0.00000 -0.03324 0.00000 0.00000 0.00000 2 2S 0.00000 0.13615 0.00000 0.00000 0.00000 3 3S 0.00000 -0.34594 0.00000 0.00000 0.00000 4 4S 0.00000 -0.25115 0.00000 0.00000 0.00000 5 5S 0.00000 22.50522 0.00000 0.00000 0.00000 6 6S 0.00000 3.07928 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 0.04993 0.00000 8 7PY -0.01657 0.00000 0.00000 0.00000 0.04993 9 7PZ 0.00000 -0.05926 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.04467 0.00000 11 8PY 0.40010 0.00000 0.00000 0.00000 0.04467 12 8PZ 0.00000 -1.22945 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 -0.06764 0.00000 14 9PY 0.04463 0.00000 0.00000 0.00000 -0.06764 15 9PZ 0.00000 0.05482 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 4.01134 0.00000 17 10PY -0.23864 0.00000 0.00000 0.00000 4.01134 18 10PZ 0.00000 -5.23373 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 0.00000 0.92624 0.00000 20 11PY -0.44654 0.00000 0.00000 0.00000 0.92624 21 11PZ 0.00000 0.16713 0.00000 0.00000 0.00000 22 12D 0 0.00000 -0.43874 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.61307 0.00000 24 12D-1 0.13719 0.00000 0.00000 0.00000 0.61307 25 12D+2 -0.87563 0.00000 0.00000 0.00000 -0.20117 26 12D-2 0.00000 0.00000 0.00000 -0.20117 0.00000 27 13D 0 0.00000 0.01350 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.01324 0.00000 29 13D-1 -0.12601 0.00000 0.00000 0.00000 0.01324 30 13D+2 -0.02369 0.00000 0.00000 0.00000 0.05578 31 13D-2 0.00000 0.00000 0.00000 0.05578 0.00000 32 14D 0 0.00000 -0.90823 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 -0.94111 0.00000 34 14D-1 0.69599 0.00000 0.00000 0.00000 -0.94111 35 14D+2 -0.60130 0.00000 0.00000 0.00000 -0.43802 36 14D-2 0.00000 0.00000 0.00000 -0.43802 0.00000 37 15F 0 0.00000 0.08586 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 -0.15749 0.00000 39 15F-1 -0.04809 0.00000 0.00000 0.00000 -0.15749 40 15F+2 0.00769 0.00000 0.00000 0.00000 -0.03409 41 15F-2 0.00000 0.00000 0.00000 -0.03409 0.00000 42 15F+3 0.00000 0.00000 0.19748 0.00000 0.00000 43 15F-3 0.00000 -0.09608 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.51948 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.09570 0.00000 46 16F-1 -0.42919 0.00000 0.00000 0.00000 0.09570 47 16F+2 1.17963 0.00000 0.00000 0.00000 -0.14147 48 16F-2 0.00000 0.00000 0.00000 -0.14147 0.00000 49 16F+3 0.00000 0.00000 -0.29365 0.00000 0.00000 50 16F-3 0.00000 -0.93600 0.00000 0.00000 0.00000 51 2 H 1S 0.00626 0.04814 0.00000 0.00000 0.00541 52 2S -1.02956 -0.88356 0.00000 0.00000 0.65852 53 3S -1.00036 -7.87981 0.00000 0.00000 -3.71200 54 4S 0.11536 -0.40715 0.00000 0.00000 -0.88061 55 5PX 0.00000 0.00000 0.00593 -0.00360 0.00000 56 5PY -0.00109 -0.01762 0.00000 0.00000 -0.00114 57 5PZ 0.01273 0.02469 0.00000 0.00000 -0.00273 58 6PX 0.00000 0.00000 -0.25757 0.14819 0.00000 59 6PY -0.10381 0.31619 0.00000 0.00000 0.11000 60 6PZ -0.10314 -0.33949 0.00000 0.00000 0.17485 61 7PX 0.00000 0.00000 1.06209 -0.99191 0.00000 62 7PY 0.66971 2.24651 0.00000 0.00000 -0.32703 63 7PZ -0.67222 -2.28474 0.00000 0.00000 -1.50060 64 8D 0 -0.00289 0.00297 0.00000 0.00000 0.04537 65 8D+1 0.00000 0.00000 -0.02351 0.01625 0.00000 66 8D-1 -0.01229 -0.00114 0.00000 0.00000 -0.00376 67 8D+2 -0.01284 -0.00647 0.00000 0.00000 -0.00161 68 8D-2 0.00000 0.00000 0.02783 -0.00829 0.00000 69 9D 0 -0.15084 -0.13369 0.00000 0.00000 -1.17884 70 9D+1 0.00000 0.00000 0.50834 -0.26206 0.00000 71 9D-1 0.47213 0.68225 0.00000 0.00000 0.11222 72 9D+2 0.27673 0.51638 0.00000 0.00000 -0.27046 73 9D-2 0.00000 0.00000 -0.76394 0.16062 0.00000 74 3 H 1S -0.00313 0.04814 0.00000 0.00468 -0.00270 75 2S 0.51478 -0.88356 0.00000 0.57029 -0.32926 76 3S 0.50018 -7.87981 0.00000 -3.21468 1.85600 77 4S -0.05768 -0.40715 0.00000 -0.76263 0.44031 78 5PX -0.01062 -0.01526 -0.00296 -0.00176 -0.00107 79 5PY -0.01948 0.00881 -0.00513 -0.00107 -0.00299 80 5PZ -0.00637 0.02469 0.00000 -0.00236 0.00136 81 6PX 0.16620 0.27382 0.12878 0.11955 0.01654 82 6PY 0.18406 -0.15809 0.22306 0.01654 0.13865 83 6PZ 0.05157 -0.33949 0.00000 0.15143 -0.08743 84 7PX 0.22315 1.94554 -0.53104 -0.49325 -0.28790 85 7PY 1.05621 -1.12326 -0.91979 -0.28790 -0.82569 86 7PZ 0.33611 -2.28474 0.00000 -1.29956 0.75030 87 8D 0 0.00145 0.00297 0.00000 0.03929 -0.02269 88 8D+1 0.01721 -0.00098 0.01175 0.00125 0.00866 89 8D-1 0.01752 0.00057 0.02036 0.00866 0.01125 90 8D+2 0.00895 0.00323 -0.02410 -0.00289 -0.00662 91 8D-2 0.01258 -0.00560 -0.01391 -0.00328 -0.00289 92 9D 0 0.07542 -0.13369 0.00000 -1.02091 0.58942 93 9D+1 -0.37441 0.59084 -0.25417 0.01865 -0.16207 94 9D-1 -0.17636 -0.34112 -0.44023 -0.16207 -0.16849 95 9D+2 -0.44743 -0.25819 0.66159 0.18666 0.05285 96 9D-2 -0.41809 0.44720 0.38197 -0.16269 0.18666 97 4 H 1S -0.00313 0.04814 0.00000 -0.00468 -0.00270 98 2S 0.51478 -0.88356 0.00000 -0.57029 -0.32926 99 3S 0.50018 -7.87981 0.00000 3.21468 1.85600 100 4S -0.05768 -0.40715 0.00000 0.76263 0.44031 101 5PX 0.01062 0.01526 -0.00296 -0.00176 0.00107 102 5PY -0.01948 0.00881 0.00513 0.00107 -0.00299 103 5PZ -0.00637 0.02469 0.00000 0.00236 0.00136 104 6PX -0.16620 -0.27382 0.12878 0.11955 -0.01654 105 6PY 0.18406 -0.15809 -0.22306 -0.01654 0.13865 106 6PZ 0.05157 -0.33949 0.00000 -0.15143 -0.08743 107 7PX -0.22315 -1.94554 -0.53104 -0.49325 0.28790 108 7PY 1.05621 -1.12326 0.91979 0.28790 -0.82569 109 7PZ 0.33611 -2.28474 0.00000 1.29956 0.75030 110 8D 0 0.00145 0.00297 0.00000 -0.03929 -0.02269 111 8D+1 -0.01721 0.00098 0.01175 0.00125 -0.00866 112 8D-1 0.01752 0.00057 -0.02036 -0.00866 0.01125 113 8D+2 0.00895 0.00323 0.02410 0.00289 -0.00662 114 8D-2 -0.01258 0.00560 -0.01391 -0.00328 0.00289 115 9D 0 0.07542 -0.13369 0.00000 1.02091 0.58942 116 9D+1 0.37441 -0.59084 -0.25417 0.01865 0.16207 117 9D-1 -0.17636 -0.34112 0.44023 0.16207 -0.16849 118 9D+2 -0.44743 -0.25819 -0.66159 -0.18666 0.05285 119 9D-2 0.41809 -0.44720 0.38197 -0.16269 -0.18666 56 57 58 59 60 (E)--V (E)--V (A1)--V (E)--V (E)--V Eigenvalues -- 1.02776 1.02776 1.03371 1.14926 1.14926 1 1 P 1S 0.00000 0.00000 -0.00602 0.00000 0.00000 2 2S 0.00000 0.00000 -0.02366 0.00000 0.00000 3 3S 0.00000 0.00000 -0.17769 0.00000 0.00000 4 4S 0.00000 0.00000 -0.12575 0.00000 0.00000 5 5S 0.00000 0.00000 3.22512 0.00000 0.00000 6 6S 0.00000 0.00000 -0.61422 0.00000 0.00000 7 7PX 0.04983 0.00000 0.00000 0.00676 0.00000 8 7PY 0.00000 0.04983 0.00000 0.00000 0.00676 9 7PZ 0.00000 0.00000 0.03993 0.00000 0.00000 10 8PX 0.30907 0.00000 0.00000 0.77732 0.00000 11 8PY 0.00000 0.30907 0.00000 0.00000 0.77732 12 8PZ 0.00000 0.00000 0.44581 0.00000 0.00000 13 9PX -0.06898 0.00000 0.00000 -0.03052 0.00000 14 9PY 0.00000 -0.06898 0.00000 0.00000 -0.03052 15 9PZ 0.00000 0.00000 -0.07726 0.00000 0.00000 16 10PX 3.99042 0.00000 0.00000 0.66551 0.00000 17 10PY 0.00000 3.99042 0.00000 0.00000 0.66551 18 10PZ 0.00000 0.00000 1.78177 0.00000 0.00000 19 11PX 0.89608 0.00000 0.00000 0.23901 0.00000 20 11PY 0.00000 0.89608 0.00000 0.00000 0.23901 21 11PZ 0.00000 0.00000 0.45265 0.00000 0.00000 22 12D 0 0.00000 0.00000 -1.69709 0.00000 0.00000 23 12D+1 -0.37731 0.00000 0.00000 -0.86241 0.00000 24 12D-1 0.00000 -0.37731 0.00000 0.00000 -0.86241 25 12D+2 0.00000 1.01108 0.00000 0.00000 1.29488 26 12D-2 1.01108 0.00000 0.00000 1.29488 0.00000 27 13D 0 0.00000 0.00000 0.09106 0.00000 0.00000 28 13D+1 0.03190 0.00000 0.00000 0.14377 0.00000 29 13D-1 0.00000 0.03190 0.00000 0.00000 0.14377 30 13D+2 0.00000 -0.03768 0.00000 0.00000 -0.22739 31 13D-2 -0.03768 0.00000 0.00000 -0.22739 0.00000 32 14D 0 0.00000 0.00000 -1.50853 0.00000 0.00000 33 14D+1 -1.31193 0.00000 0.00000 -0.24066 0.00000 34 14D-1 0.00000 -1.31193 0.00000 0.00000 -0.24066 35 14D+2 0.00000 0.15449 0.00000 0.00000 0.14855 36 14D-2 0.15449 0.00000 0.00000 0.14855 0.00000 37 15F 0 0.00000 0.00000 0.05588 0.00000 0.00000 38 15F+1 -0.00795 0.00000 0.00000 0.09870 0.00000 39 15F-1 0.00000 -0.00795 0.00000 0.00000 0.09870 40 15F+2 0.00000 -0.12388 0.00000 0.00000 -0.14757 41 15F-2 -0.12388 0.00000 0.00000 -0.14757 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 -0.15067 0.00000 0.00000 44 16F 0 0.00000 0.00000 1.38520 0.00000 0.00000 45 16F+1 -0.05961 0.00000 0.00000 0.00982 0.00000 46 16F-1 0.00000 -0.05961 0.00000 0.00000 0.00982 47 16F+2 0.00000 0.06698 0.00000 0.00000 0.30126 48 16F-2 0.06698 0.00000 0.00000 0.30126 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.84954 0.00000 0.00000 51 2 H 1S 0.00000 0.01094 0.00071 0.00000 0.01436 52 2S 0.00000 0.36563 -0.28468 0.00000 -0.31704 53 3S 0.00000 -3.44406 -0.65410 0.00000 0.63041 54 4S 0.00000 -0.91583 0.07235 0.00000 -0.21578 55 5PX 0.00196 0.00000 0.00000 0.00147 0.00000 56 5PY 0.00000 -0.00511 0.00055 0.00000 -0.00126 57 5PZ 0.00000 -0.00291 0.00644 0.00000 -0.00597 58 6PX 0.04976 0.00000 0.00000 -0.10383 0.00000 59 6PY 0.00000 0.04934 0.07135 0.00000 -0.00143 60 6PZ 0.00000 0.14710 -0.09326 0.00000 0.19775 61 7PX -1.61443 0.00000 0.00000 -1.26667 0.00000 62 7PY 0.00000 0.28199 -0.41818 0.00000 0.05246 63 7PZ 0.00000 -0.69560 -1.41075 0.00000 0.54486 64 8D 0 0.00000 -0.01831 -0.01211 0.00000 0.01177 65 8D+1 0.01771 0.00000 0.00000 0.01846 0.00000 66 8D-1 0.00000 -0.03693 -0.01278 0.00000 0.00947 67 8D+2 0.00000 0.03322 0.03194 0.00000 -0.03453 68 8D-2 -0.01040 0.00000 0.00000 -0.01818 0.00000 69 9D 0 0.00000 0.36098 -0.00480 0.00000 0.23430 70 9D+1 -0.60755 0.00000 0.00000 -0.79209 0.00000 71 9D-1 0.00000 0.57132 0.72204 0.00000 -0.36842 72 9D+2 0.00000 -0.66949 -0.90802 0.00000 0.75330 73 9D-2 0.61230 0.00000 0.00000 1.08644 0.00000 74 3 H 1S 0.00947 -0.00547 0.00071 0.01244 -0.00718 75 2S 0.31665 -0.18282 -0.28468 -0.27457 0.15852 76 3S -2.98265 1.72203 -0.65410 0.54595 -0.31520 77 4S -0.79313 0.45791 0.07235 -0.18687 0.10789 78 5PX -0.00334 0.00306 0.00048 -0.00058 0.00118 79 5PY 0.00306 0.00019 -0.00028 0.00118 0.00079 80 5PZ -0.00252 0.00146 0.00644 -0.00517 0.00299 81 6PX 0.04945 0.00018 0.06179 -0.02703 -0.04434 82 6PY 0.00018 0.04966 -0.03568 -0.04434 -0.07823 83 6PZ 0.12739 -0.07355 -0.09326 0.17126 -0.09888 84 7PX -0.19211 -0.82117 -0.36216 -0.27732 -0.57120 85 7PY -0.82117 -1.14032 0.20909 -0.57120 -0.93689 86 7PZ -0.60241 0.34780 -1.41075 0.47186 -0.27243 87 8D 0 -0.01586 0.00916 -0.01211 0.01019 -0.00588 88 8D+1 -0.02327 0.02366 -0.01107 0.01172 0.00390 89 8D-1 0.02366 0.00405 0.00639 0.00390 0.01622 90 8D+2 -0.01889 0.00050 -0.01597 0.00708 -0.02227 91 8D-2 0.02231 -0.01889 0.02766 -0.03045 0.00708 92 9D 0 0.31261 -0.18049 -0.00480 0.20291 -0.11715 93 9D+1 0.27660 -0.51046 0.62531 -0.47434 -0.18346 94 9D-1 -0.51046 -0.31283 -0.36102 -0.18346 -0.68617 95 9D+2 0.55503 0.29185 0.45401 0.14426 1.00316 96 9D-2 -0.34904 0.55503 -0.78637 0.83659 0.14426 97 4 H 1S -0.00947 -0.00547 0.00071 -0.01244 -0.00718 98 2S -0.31665 -0.18282 -0.28468 0.27457 0.15852 99 3S 2.98265 1.72203 -0.65410 -0.54595 -0.31520 100 4S 0.79313 0.45791 0.07235 0.18687 0.10789 101 5PX -0.00334 -0.00306 -0.00048 -0.00058 -0.00118 102 5PY -0.00306 0.00019 -0.00028 -0.00118 0.00079 103 5PZ 0.00252 0.00146 0.00644 0.00517 0.00299 104 6PX 0.04945 -0.00018 -0.06179 -0.02703 0.04434 105 6PY -0.00018 0.04966 -0.03568 0.04434 -0.07823 106 6PZ -0.12739 -0.07355 -0.09326 -0.17126 -0.09888 107 7PX -0.19211 0.82117 0.36216 -0.27732 0.57120 108 7PY 0.82117 -1.14032 0.20909 0.57120 -0.93689 109 7PZ 0.60241 0.34780 -1.41075 -0.47186 -0.27243 110 8D 0 0.01586 0.00916 -0.01211 -0.01019 -0.00588 111 8D+1 -0.02327 -0.02366 0.01107 0.01172 -0.00390 112 8D-1 -0.02366 0.00405 0.00639 -0.00390 0.01622 113 8D+2 0.01889 0.00050 -0.01597 -0.00708 -0.02227 114 8D-2 0.02231 0.01889 -0.02766 -0.03045 -0.00708 115 9D 0 -0.31261 -0.18049 -0.00480 -0.20291 -0.11715 116 9D+1 0.27660 0.51046 -0.62531 -0.47434 0.18346 117 9D-1 0.51046 -0.31283 -0.36102 0.18346 -0.68617 118 9D+2 -0.55503 0.29185 0.45401 -0.14426 1.00316 119 9D-2 -0.34904 -0.55503 0.78637 0.83659 -0.14426 61 62 63 64 65 (A1)--V (E)--V (E)--V (E)--V (E)--V Eigenvalues -- 1.17182 1.19890 1.19890 1.26179 1.26179 1 1 P 1S -0.00042 0.00000 0.00000 0.00000 0.00000 2 2S -0.01393 0.00000 0.00000 0.00000 0.00000 3 3S -0.04739 0.00000 0.00000 0.00000 0.00000 4 4S -0.08119 0.00000 0.00000 0.00000 0.00000 5 5S 1.17686 0.00000 0.00000 0.00000 0.00000 6 6S 0.10547 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.08791 0.00000 -0.13142 8 7PY 0.00000 0.08791 0.00000 0.13142 0.00000 9 7PZ 0.00005 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -1.28166 0.00000 -0.42802 11 8PY 0.00000 1.28166 0.00000 0.42802 0.00000 12 8PZ 1.18182 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.07276 0.00000 0.07724 14 9PY 0.00000 -0.07276 0.00000 -0.07724 0.00000 15 9PZ -0.04312 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 2.63680 0.00000 3.45959 17 10PY 0.00000 -2.63680 0.00000 -3.45959 0.00000 18 10PZ 1.26318 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 -0.17404 0.00000 0.39879 20 11PY 0.00000 0.17404 0.00000 -0.39879 0.00000 21 11PZ 0.12676 0.00000 0.00000 0.00000 0.00000 22 12D 0 -1.10078 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.22222 0.00000 -1.92381 24 12D-1 0.00000 -0.22222 0.00000 1.92381 0.00000 25 12D+2 0.00000 -0.35950 0.00000 1.57043 0.00000 26 12D-2 0.00000 0.00000 0.35950 0.00000 -1.57043 27 13D 0 0.25318 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.07313 0.00000 -0.18289 29 13D-1 0.00000 -0.07313 0.00000 0.18289 0.00000 30 13D+2 0.00000 0.00184 0.00000 0.06649 0.00000 31 13D-2 0.00000 0.00000 -0.00184 0.00000 -0.06649 32 14D 0 -0.22965 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 -0.33965 0.00000 -1.93813 34 14D-1 0.00000 0.33965 0.00000 1.93813 0.00000 35 14D+2 0.00000 0.31344 0.00000 0.64847 0.00000 36 14D-2 0.00000 0.00000 -0.31344 0.00000 -0.64847 37 15F 0 0.10220 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.04036 0.00000 -0.02725 39 15F-1 0.00000 -0.04036 0.00000 0.02725 0.00000 40 15F+2 0.00000 0.04809 0.00000 0.01974 0.00000 41 15F-2 0.00000 0.00000 -0.04809 0.00000 -0.01974 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.09591 0.00000 0.00000 0.00000 0.00000 44 16F 0 -1.02829 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -1.02409 0.00000 1.21172 46 16F-1 0.00000 1.02409 0.00000 -1.21172 0.00000 47 16F+2 0.00000 0.02576 0.00000 -1.18637 0.00000 48 16F-2 0.00000 0.00000 -0.02576 0.00000 1.18637 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.60049 0.00000 0.00000 0.00000 0.00000 51 2 H 1S -0.01632 0.04526 0.00000 0.00774 0.00000 52 2S 0.14870 -0.84950 0.00000 3.53785 0.00000 53 3S -0.47649 2.65298 0.00000 -1.84639 0.00000 54 4S -0.00622 -0.37729 0.00000 -0.06865 0.00000 55 5PX 0.00000 0.00000 0.00799 0.00000 0.00039 56 5PY -0.00335 -0.02430 0.00000 -0.01626 0.00000 57 5PZ 0.00316 -0.01237 0.00000 0.02455 0.00000 58 6PX 0.00000 0.00000 -0.11701 0.00000 0.15824 59 6PY 0.06700 0.37657 0.00000 -0.05178 0.00000 60 6PZ -0.14398 0.17723 0.00000 -0.29210 0.00000 61 7PX 0.00000 0.00000 -0.04606 0.00000 -0.95594 62 7PY -0.36377 -0.04715 0.00000 2.74191 0.00000 63 7PZ -0.86585 -0.20161 0.00000 -1.19550 0.00000 64 8D 0 0.03394 0.01073 0.00000 -0.01600 0.00000 65 8D+1 0.00000 0.00000 0.03571 0.00000 -0.01737 66 8D-1 0.01423 -0.03282 0.00000 -0.01808 0.00000 67 8D+2 -0.00330 -0.01163 0.00000 -0.03041 0.00000 68 8D-2 0.00000 0.00000 0.02232 0.00000 -0.02441 69 9D 0 -1.15506 -0.23000 0.00000 0.34557 0.00000 70 9D+1 0.00000 0.00000 -0.82535 0.00000 0.59156 71 9D-1 0.02354 1.20433 0.00000 0.70826 0.00000 72 9D+2 -0.06301 0.65325 0.00000 0.85360 0.00000 73 9D-2 0.00000 0.00000 -0.47199 0.00000 0.49609 74 3 H 1S -0.01632 -0.02263 -0.03920 -0.00387 -0.00670 75 2S 0.14870 0.42475 0.73569 -1.76893 -3.06387 76 3S -0.47649 -1.32649 -2.29755 0.92319 1.59902 77 4S -0.00622 0.18864 0.32674 0.03432 0.05945 78 5PX -0.00290 0.00707 0.02022 0.00687 0.01229 79 5PY 0.00167 -0.01207 -0.00707 -0.00436 -0.00687 80 5PZ 0.00316 0.00618 0.01071 -0.01227 -0.02126 81 6PX 0.05802 -0.11239 -0.31168 -0.04610 0.07839 82 6PY -0.03350 0.18190 0.11239 -0.13162 0.04610 83 6PZ -0.14398 -0.08861 -0.15348 0.14605 0.25297 84 7PX -0.31503 0.04036 0.02385 -0.77335 -2.29542 85 7PY 0.18188 0.02276 -0.04036 1.40243 0.77335 86 7PZ -0.86585 0.10081 0.17460 0.59775 1.03534 87 8D 0 0.03394 -0.00537 -0.00929 0.00800 0.01385 88 8D+1 0.01232 -0.00125 0.03354 0.01535 0.00922 89 8D-1 -0.00711 -0.03499 0.00125 0.00851 -0.01535 90 8D+2 0.00165 -0.01965 0.00463 0.01071 -0.02374 91 8D-2 -0.00286 -0.00463 0.01430 0.02374 0.01670 92 9D 0 -1.15506 0.11500 0.19919 -0.17278 -0.29927 93 9D+1 0.02038 -0.16410 -1.10959 -0.56284 -0.38330 94 9D-1 -0.01177 0.92010 0.16410 -0.26661 0.56284 95 9D+2 0.03150 0.51731 0.07849 -0.15867 0.58443 96 9D-2 -0.05457 -0.07849 -0.60794 -0.58443 -0.51617 97 4 H 1S -0.01632 -0.02263 0.03920 -0.00387 0.00670 98 2S 0.14870 0.42475 -0.73569 -1.76893 3.06387 99 3S -0.47649 -1.32649 2.29755 0.92319 -1.59902 100 4S -0.00622 0.18864 -0.32674 0.03432 -0.05945 101 5PX 0.00290 -0.00707 0.02022 -0.00687 0.01229 102 5PY 0.00167 -0.01207 0.00707 -0.00436 0.00687 103 5PZ 0.00316 0.00618 -0.01071 -0.01227 0.02126 104 6PX -0.05802 0.11239 -0.31168 0.04610 0.07839 105 6PY -0.03350 0.18190 -0.11239 -0.13162 -0.04610 106 6PZ -0.14398 -0.08861 0.15348 0.14605 -0.25297 107 7PX 0.31503 -0.04036 0.02385 0.77335 -2.29542 108 7PY 0.18188 0.02276 0.04036 1.40243 -0.77335 109 7PZ -0.86585 0.10081 -0.17460 0.59775 -1.03534 110 8D 0 0.03394 -0.00537 0.00929 0.00800 -0.01385 111 8D+1 -0.01232 0.00125 0.03354 -0.01535 0.00922 112 8D-1 -0.00711 -0.03499 -0.00125 0.00851 0.01535 113 8D+2 0.00165 -0.01965 -0.00463 0.01071 0.02374 114 8D-2 0.00286 0.00463 0.01430 -0.02374 0.01670 115 9D 0 -1.15506 0.11500 -0.19919 -0.17278 0.29927 116 9D+1 -0.02038 0.16410 -1.10959 0.56284 -0.38330 117 9D-1 -0.01177 0.92010 -0.16410 -0.26661 -0.56284 118 9D+2 0.03150 0.51731 -0.07849 -0.15867 -0.58443 119 9D-2 0.05457 0.07849 -0.60794 0.58443 -0.51617 66 67 68 69 70 (A2)--V (A1)--V (E)--V (E)--V (A2)--V Eigenvalues -- 1.27255 1.47020 1.50305 1.50305 1.51072 1 1 P 1S 0.00000 -0.06875 0.00000 0.00000 0.00000 2 2S 0.00000 -0.39898 0.00000 0.00000 0.00000 3 3S 0.00000 -2.37387 0.00000 0.00000 0.00000 4 4S 0.00000 -1.66047 0.00000 0.00000 0.00000 5 5S 0.00000 23.89289 0.00000 0.00000 0.00000 6 6S 0.00000 6.57303 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.07138 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 -0.07138 0.00000 9 7PZ 0.00000 0.05869 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.27865 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.27865 0.00000 12 8PZ 0.00000 -1.26719 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.13624 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.13624 0.00000 15 9PZ 0.00000 0.02956 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -1.14334 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 -1.14334 0.00000 18 10PZ 0.00000 -9.72450 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 -0.10922 0.00000 0.00000 20 11PY 0.00000 0.00000 0.00000 -0.10922 0.00000 21 11PZ 0.00000 -0.69668 0.00000 0.00000 0.00000 22 12D 0 0.00000 -0.86474 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 1.20735 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 1.20735 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.92955 0.00000 26 12D-2 0.00000 0.00000 0.92955 0.00000 0.00000 27 13D 0 0.00000 0.03103 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 -0.05172 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 -0.05172 0.00000 30 13D+2 0.00000 0.00000 0.00000 -0.01391 0.00000 31 13D-2 0.00000 0.00000 -0.01391 0.00000 0.00000 32 14D 0 0.00000 0.05894 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.63984 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.63984 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.60775 0.00000 36 14D-2 0.00000 0.00000 0.60775 0.00000 0.00000 37 15F 0 0.00000 0.09473 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.07564 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.07564 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00786 0.00000 41 15F-2 0.00000 0.00000 0.00786 0.00000 0.00000 42 15F+3 -0.04860 0.00000 0.00000 0.00000 -0.15482 43 15F-3 0.00000 -0.07359 0.00000 0.00000 0.00000 44 16F 0 0.00000 1.19041 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -0.98436 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.98436 0.00000 47 16F+2 0.00000 0.00000 0.00000 -0.92211 0.00000 48 16F-2 0.00000 0.00000 -0.92211 0.00000 0.00000 49 16F+3 1.82071 0.00000 0.00000 0.00000 0.93852 50 16F-3 0.00000 -1.20573 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 -0.06699 0.00000 0.04642 0.00000 52 2S 0.00000 -2.42120 0.00000 0.89880 0.00000 53 3S 0.00000 -8.94106 0.00000 5.37693 0.00000 54 4S 0.00000 -0.62132 0.00000 0.38649 0.00000 55 5PX -0.02484 0.00000 0.03623 0.00000 -0.04000 56 5PY 0.00000 -0.03888 0.00000 0.04272 0.00000 57 5PZ 0.00000 0.03667 0.00000 0.03583 0.00000 58 6PX 0.43459 0.00000 -0.73209 0.00000 0.93579 59 6PY 0.00000 0.93218 0.00000 -1.20772 0.00000 60 6PZ 0.00000 -0.97387 0.00000 -0.61446 0.00000 61 7PX 0.07544 0.00000 -1.10823 0.00000 1.41638 62 7PY 0.00000 1.28776 0.00000 -2.17721 0.00000 63 7PZ 0.00000 -0.60995 0.00000 -0.55347 0.00000 64 8D 0 0.00000 -0.00319 0.00000 0.02610 0.00000 65 8D+1 -0.04089 0.00000 0.00372 0.00000 0.00089 66 8D-1 0.00000 0.05878 0.00000 -0.02811 0.00000 67 8D+2 0.00000 0.04237 0.00000 0.00334 0.00000 68 8D-2 -0.03746 0.00000 -0.02358 0.00000 0.03876 69 9D 0 0.00000 -0.05484 0.00000 -0.98756 0.00000 70 9D+1 1.05265 0.00000 -0.39050 0.00000 0.34223 71 9D-1 0.00000 -0.28612 0.00000 0.44541 0.00000 72 9D+2 0.00000 -0.35398 0.00000 -0.61341 0.00000 73 9D-2 0.77199 0.00000 0.66224 0.00000 -1.08437 74 3 H 1S 0.00000 -0.06699 0.04020 -0.02321 0.00000 75 2S 0.00000 -2.42120 0.77839 -0.44940 0.00000 76 3S 0.00000 -8.94106 4.65656 -2.68847 0.00000 77 4S 0.00000 -0.62132 0.33471 -0.19324 0.00000 78 5PX 0.01242 -0.03367 0.04110 -0.00281 0.02000 79 5PY 0.02151 0.01944 -0.00281 0.03785 0.03464 80 5PZ 0.00000 0.03667 0.03103 -0.01791 0.00000 81 6PX -0.21729 0.80730 -1.08881 0.20595 -0.46790 82 6PY -0.37636 -0.46609 0.20595 -0.85100 -0.81042 83 6PZ 0.00000 -0.97387 -0.53213 0.30723 0.00000 84 7PX -0.03772 1.11523 -1.90996 0.46288 -0.70819 85 7PY -0.06534 -0.64388 0.46288 -1.37547 -1.22662 86 7PZ 0.00000 -0.60995 -0.47932 0.27674 0.00000 87 8D 0 0.00000 -0.00319 0.02261 -0.01305 0.00000 88 8D+1 0.02045 0.05090 -0.02015 0.01379 -0.00044 89 8D-1 0.03541 -0.02939 0.01379 -0.00424 -0.00077 90 8D+2 0.03244 -0.02119 -0.01166 -0.01685 -0.03357 91 8D-2 0.01873 0.03670 -0.00339 -0.01166 -0.01938 92 9D 0 0.00000 -0.05484 -0.85525 0.49378 0.00000 93 9D+1 -0.52632 -0.24779 0.23643 -0.36196 -0.17111 94 9D-1 -0.91162 0.14306 -0.36196 -0.18153 -0.29638 95 9D+2 -0.66856 0.17699 0.55237 0.34332 0.93909 96 9D-2 -0.38599 -0.30656 -0.29450 0.55237 0.54218 97 4 H 1S 0.00000 -0.06699 -0.04020 -0.02321 0.00000 98 2S 0.00000 -2.42120 -0.77839 -0.44940 0.00000 99 3S 0.00000 -8.94106 -4.65656 -2.68847 0.00000 100 4S 0.00000 -0.62132 -0.33471 -0.19324 0.00000 101 5PX 0.01242 0.03367 0.04110 0.00281 0.02000 102 5PY -0.02151 0.01944 0.00281 0.03785 -0.03464 103 5PZ 0.00000 0.03667 -0.03103 -0.01791 0.00000 104 6PX -0.21729 -0.80730 -1.08881 -0.20595 -0.46790 105 6PY 0.37636 -0.46609 -0.20595 -0.85100 0.81042 106 6PZ 0.00000 -0.97387 0.53213 0.30723 0.00000 107 7PX -0.03772 -1.11523 -1.90996 -0.46288 -0.70819 108 7PY 0.06534 -0.64388 -0.46288 -1.37547 1.22662 109 7PZ 0.00000 -0.60995 0.47932 0.27674 0.00000 110 8D 0 0.00000 -0.00319 -0.02261 -0.01305 0.00000 111 8D+1 0.02045 -0.05090 -0.02015 -0.01379 -0.00044 112 8D-1 -0.03541 -0.02939 -0.01379 -0.00424 0.00077 113 8D+2 -0.03244 -0.02119 0.01166 -0.01685 0.03357 114 8D-2 0.01873 -0.03670 -0.00339 0.01166 -0.01938 115 9D 0 0.00000 -0.05484 0.85525 0.49378 0.00000 116 9D+1 -0.52632 0.24779 0.23643 0.36196 -0.17111 117 9D-1 0.91162 0.14306 0.36196 -0.18153 0.29638 118 9D+2 0.66856 0.17699 -0.55237 0.34332 -0.93909 119 9D-2 -0.38599 0.30656 -0.29450 -0.55237 0.54218 71 72 73 74 75 (E)--V (E)--V (A1)--V (E)--V (E)--V Eigenvalues -- 1.62601 1.62601 1.64282 1.67694 1.67694 1 1 P 1S 0.00000 0.00000 0.02430 0.00000 0.00000 2 2S 0.00000 0.00000 0.10465 0.00000 0.00000 3 3S 0.00000 0.00000 0.76198 0.00000 0.00000 4 4S 0.00000 0.00000 0.48587 0.00000 0.00000 5 5S 0.00000 0.00000 -3.51720 0.00000 0.00000 6 6S 0.00000 0.00000 -1.72414 0.00000 0.00000 7 7PX -0.03446 0.00000 0.00000 0.04890 0.00000 8 7PY 0.00000 -0.03446 0.00000 0.00000 0.04890 9 7PZ 0.00000 0.00000 -0.12413 0.00000 0.00000 10 8PX -1.17435 0.00000 0.00000 -2.92750 0.00000 11 8PY 0.00000 -1.17435 0.00000 0.00000 -2.92750 12 8PZ 0.00000 0.00000 0.92095 0.00000 0.00000 13 9PX 0.10060 0.00000 0.00000 -0.00776 0.00000 14 9PY 0.00000 0.10060 0.00000 0.00000 -0.00776 15 9PZ 0.00000 0.00000 0.19060 0.00000 0.00000 16 10PX -4.61701 0.00000 0.00000 -13.29162 0.00000 17 10PY 0.00000 -4.61701 0.00000 0.00000 -13.29162 18 10PZ 0.00000 0.00000 5.81238 0.00000 0.00000 19 11PX -0.32786 0.00000 0.00000 -0.88907 0.00000 20 11PY 0.00000 -0.32786 0.00000 0.00000 -0.88907 21 11PZ 0.00000 0.00000 0.35942 0.00000 0.00000 22 12D 0 0.00000 0.00000 -1.86475 0.00000 0.00000 23 12D+1 0.51839 0.00000 0.00000 3.67813 0.00000 24 12D-1 0.00000 0.51839 0.00000 0.00000 3.67813 25 12D+2 0.00000 3.31558 0.00000 0.00000 2.88984 26 12D-2 3.31558 0.00000 0.00000 2.88984 0.00000 27 13D 0 0.00000 0.00000 -0.70538 0.00000 0.00000 28 13D+1 -0.36150 0.00000 0.00000 0.11206 0.00000 29 13D-1 0.00000 -0.36150 0.00000 0.00000 0.11206 30 13D+2 0.00000 0.19336 0.00000 0.00000 -0.85943 31 13D-2 0.19336 0.00000 0.00000 -0.85943 0.00000 32 14D 0 0.00000 0.00000 -2.01447 0.00000 0.00000 33 14D+1 0.21389 0.00000 0.00000 2.95844 0.00000 34 14D-1 0.00000 0.21389 0.00000 0.00000 2.95844 35 14D+2 0.00000 2.05247 0.00000 0.00000 1.18807 36 14D-2 2.05247 0.00000 0.00000 1.18807 0.00000 37 15F 0 0.00000 0.00000 -0.11649 0.00000 0.00000 38 15F+1 -0.21611 0.00000 0.00000 -0.07044 0.00000 39 15F-1 0.00000 -0.21611 0.00000 0.00000 -0.07044 40 15F+2 0.00000 0.05954 0.00000 0.00000 -0.25999 41 15F-2 0.05954 0.00000 0.00000 -0.25999 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.17989 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.67619 0.00000 0.00000 45 16F+1 0.85509 0.00000 0.00000 -0.60737 0.00000 46 16F-1 0.00000 0.85509 0.00000 0.00000 -0.60737 47 16F+2 0.00000 -1.56553 0.00000 0.00000 -0.87640 48 16F-2 -1.56553 0.00000 0.00000 -0.87640 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.45173 0.00000 0.00000 51 2 H 1S 0.00000 0.03892 -0.03181 0.00000 0.00963 52 2S 0.00000 1.82557 0.49078 0.00000 3.67399 53 3S 0.00000 8.02649 1.52435 0.00000 15.85615 54 4S 0.00000 0.62198 0.14986 0.00000 1.25427 55 5PX 0.07490 0.00000 0.00000 -0.03959 0.00000 56 5PY 0.00000 -0.00517 0.04587 0.00000 0.04611 57 5PZ 0.00000 -0.06031 0.05377 0.00000 -0.02672 58 6PX -1.39855 0.00000 0.00000 0.29592 0.00000 59 6PY 0.00000 -0.42914 -0.75126 0.00000 -1.86381 60 6PZ 0.00000 1.48043 -0.78517 0.00000 1.20838 61 7PX -1.42368 0.00000 0.00000 1.18044 0.00000 62 7PY 0.00000 -1.11332 -0.91305 0.00000 -2.96224 63 7PZ 0.00000 2.17641 -1.50358 0.00000 2.24233 64 8D 0 0.00000 -0.02187 0.02019 0.00000 0.00509 65 8D+1 0.01679 0.00000 0.00000 -0.03285 0.00000 66 8D-1 0.00000 -0.01800 -0.03478 0.00000 -0.04346 67 8D+2 0.00000 -0.01570 0.01095 0.00000 -0.03112 68 8D-2 -0.00059 0.00000 0.00000 0.04668 0.00000 69 9D 0 0.00000 0.67781 -0.52049 0.00000 0.10837 70 9D+1 -0.47094 0.00000 0.00000 0.11023 0.00000 71 9D-1 0.00000 -0.41955 0.62507 0.00000 -0.30036 72 9D+2 0.00000 0.01656 -0.37624 0.00000 -0.20566 73 9D-2 0.61367 0.00000 0.00000 -0.64400 0.00000 74 3 H 1S 0.03371 -0.01946 -0.03181 0.00834 -0.00481 75 2S 1.58099 -0.91278 0.49078 3.18176 -1.83699 76 3S 6.95114 -4.01324 1.52435 13.73183 -7.92808 77 4S 0.53865 -0.31099 0.14986 1.08623 -0.62713 78 5PX 0.01485 0.03467 0.03972 0.02468 -0.03711 79 5PY 0.03467 0.05488 -0.02294 -0.03711 -0.01817 80 5PZ -0.05223 0.03015 0.05377 -0.02314 0.01336 81 6PX -0.67150 -0.41977 -0.65061 -1.32388 0.93519 82 6PY -0.41977 -1.15620 0.37563 0.93519 -0.24401 83 6PZ 1.28209 -0.74021 -0.78517 1.04649 -0.60419 84 7PX -1.19091 -0.13439 -0.79073 -1.92657 1.79383 85 7PY -0.13439 -1.34609 0.45653 1.79383 0.14477 86 7PZ 1.88483 -1.08820 -1.50358 1.94191 -1.12116 87 8D 0 -0.01894 0.01094 0.02019 0.00441 -0.00255 88 8D+1 -0.00930 0.01507 -0.03012 -0.04081 0.00459 89 8D-1 0.01507 0.00810 0.01739 0.00459 -0.03550 90 8D+2 0.00654 -0.00437 -0.00547 0.03369 0.02723 91 8D-2 -0.01192 0.00654 0.00948 -0.01167 0.03369 92 9D 0 0.58700 -0.33891 -0.52049 0.09385 -0.05418 93 9D+1 -0.43240 -0.02225 0.54133 -0.19771 0.17779 94 9D-1 -0.02225 -0.45809 -0.31254 0.17779 0.00758 95 9D+2 0.25856 0.46439 0.18812 -0.18981 -0.53441 96 9D-2 0.16584 0.25856 -0.32583 -0.31524 -0.18981 97 4 H 1S -0.03371 -0.01946 -0.03181 -0.00834 -0.00481 98 2S -1.58099 -0.91278 0.49078 -3.18176 -1.83699 99 3S -6.95114 -4.01324 1.52435 -13.73183 -7.92808 100 4S -0.53865 -0.31099 0.14986 -1.08623 -0.62713 101 5PX 0.01485 -0.03467 -0.03972 0.02468 0.03711 102 5PY -0.03467 0.05488 -0.02294 0.03711 -0.01817 103 5PZ 0.05223 0.03015 0.05377 0.02314 0.01336 104 6PX -0.67150 0.41977 0.65061 -1.32388 -0.93519 105 6PY 0.41977 -1.15620 0.37563 -0.93519 -0.24401 106 6PZ -1.28209 -0.74021 -0.78517 -1.04649 -0.60419 107 7PX -1.19091 0.13439 0.79073 -1.92657 -1.79383 108 7PY 0.13439 -1.34609 0.45653 -1.79383 0.14477 109 7PZ -1.88483 -1.08820 -1.50358 -1.94191 -1.12116 110 8D 0 0.01894 0.01094 0.02019 -0.00441 -0.00255 111 8D+1 -0.00930 -0.01507 0.03012 -0.04081 -0.00459 112 8D-1 -0.01507 0.00810 0.01739 -0.00459 -0.03550 113 8D+2 -0.00654 -0.00437 -0.00547 -0.03369 0.02723 114 8D-2 -0.01192 -0.00654 -0.00948 -0.01167 -0.03369 115 9D 0 -0.58700 -0.33891 -0.52049 -0.09385 -0.05418 116 9D+1 -0.43240 0.02225 -0.54133 -0.19771 -0.17779 117 9D-1 0.02225 -0.45809 -0.31254 -0.17779 0.00758 118 9D+2 -0.25856 0.46439 0.18812 0.18981 -0.53441 119 9D-2 0.16584 -0.25856 0.32583 -0.31524 0.18981 76 77 78 79 80 (E)--V (E)--V (A1)--V (A1)--V (A1)--V Eigenvalues -- 1.78859 1.78859 1.79497 1.88653 1.99101 1 1 P 1S 0.00000 0.00000 0.04312 0.00553 0.11532 2 2S 0.00000 0.00000 0.15906 0.00740 0.19020 3 3S 0.00000 0.00000 1.28258 0.13611 2.99718 4 4S 0.00000 0.00000 0.66183 0.03635 1.42822 5 5S 0.00000 0.00000 -1.53497 1.01415 8.64976 6 6S 0.00000 0.00000 -1.51329 0.52756 1.25616 7 7PX -0.08556 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.08556 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 -0.11468 -0.00191 -0.00233 10 8PX 1.66554 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 -1.66554 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 -0.15006 -0.22571 -2.81846 13 9PX 0.11631 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 -0.11631 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.16684 0.00897 -0.09210 16 10PX 9.70053 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 -9.70053 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 4.70297 -0.91277 -1.93902 19 11PX 0.76716 0.00000 0.00000 0.00000 0.00000 20 11PY 0.00000 -0.76716 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.36021 -0.12827 -0.11384 22 12D 0 0.00000 0.00000 -2.96411 0.49664 1.41962 23 12D+1 -3.97705 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 3.97705 0.00000 0.00000 0.00000 25 12D+2 0.00000 -0.41944 0.00000 0.00000 0.00000 26 12D-2 0.41944 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 1.07993 -0.19274 -0.26284 28 13D+1 0.79609 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 -0.79609 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.66412 0.00000 0.00000 0.00000 31 13D-2 -0.66412 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 -1.39846 0.28763 0.03167 33 14D+1 -2.50515 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 2.50515 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.37515 0.00000 0.00000 0.00000 36 14D-2 -0.37515 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 -0.25639 -0.90928 0.09863 38 15F+1 -0.13467 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.13467 0.00000 0.00000 0.00000 40 15F+2 0.00000 -0.25894 0.00000 0.00000 0.00000 41 15F-2 0.25894 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.05955 -0.75470 0.11351 44 16F 0 0.00000 0.00000 1.15181 0.20491 -0.68430 45 16F+1 1.36964 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 -1.36964 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.31803 0.00000 0.00000 0.00000 48 16F-2 -0.31803 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.10023 0.37743 0.37847 51 2 H 1S 0.00000 0.01673 -0.02815 -0.02111 -0.12630 52 2S 0.00000 2.29613 0.31152 0.01306 0.19182 53 3S 0.00000 9.86418 0.79528 -0.55934 -3.84111 54 4S 0.00000 0.90582 0.11649 -0.05895 -0.19895 55 5PX 0.04703 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 0.04233 0.02142 -0.00832 -0.07730 57 5PZ 0.00000 -0.01218 0.02366 0.00369 0.02576 58 6PX -1.26522 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 -1.49121 -0.52465 0.18858 1.44922 60 6PZ 0.00000 0.18584 -0.81165 0.04881 -0.21900 61 7PX -1.79344 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 -1.74003 -0.42004 0.24072 1.68756 63 7PZ 0.00000 0.91549 -1.39413 0.15661 -0.84146 64 8D 0 0.00000 -0.03724 -0.03216 0.03058 0.00446 65 8D+1 -0.02060 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00200 -0.00347 0.01439 -0.03377 67 8D+2 0.00000 -0.04075 -0.03160 -0.02307 -0.01933 68 8D-2 0.03594 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 -0.08943 0.07179 -0.03373 0.24397 70 9D+1 0.08292 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 -0.30472 0.69789 -0.04901 0.60985 72 9D+2 0.00000 0.21371 -0.19701 0.13231 0.86375 73 9D-2 0.61529 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.01449 -0.00836 -0.02815 -0.02111 -0.12630 75 2S -1.98851 -1.14807 0.31152 0.01306 0.19182 76 3S -8.54263 -4.93209 0.79528 -0.55934 -3.84111 77 4S -0.78446 -0.45291 0.11649 -0.05895 -0.19895 78 5PX -0.01999 -0.03869 0.01855 -0.00720 -0.06695 79 5PY 0.03869 -0.02469 -0.01071 0.00416 0.03865 80 5PZ 0.01055 0.00609 0.02366 0.00369 0.02576 81 6PX 0.80210 1.19357 -0.45436 0.16332 1.25506 82 6PY -1.19357 0.57612 0.26233 -0.09429 -0.72461 83 6PZ -0.16094 -0.09292 -0.81165 0.04881 -0.21900 84 7PX 0.85666 1.53004 -0.36377 0.20847 1.46147 85 7PY -1.53004 0.91007 0.21002 -0.12036 -0.84378 86 7PZ -0.79284 -0.45775 -1.39413 0.15661 -0.84146 87 8D 0 0.03225 0.01862 -0.03216 0.03058 0.00446 88 8D+1 -0.00365 0.00979 -0.00300 0.01246 -0.02925 89 8D-1 -0.00979 0.01495 0.00173 -0.00720 0.01689 90 8D+2 -0.00208 -0.03714 0.01580 0.01153 0.00966 91 8D-2 0.03955 0.00208 -0.02737 -0.01998 -0.01674 92 9D 0 0.07745 0.04471 0.07179 -0.03373 0.24397 93 9D+1 0.24927 0.09604 0.60439 -0.04244 0.52815 94 9D-1 -0.09604 -0.13837 -0.34894 0.02450 -0.30493 95 9D+2 0.35897 -0.40804 0.09851 -0.06616 -0.43188 96 9D-2 -0.00646 -0.35897 -0.17062 0.11459 0.74803 97 4 H 1S 0.01449 -0.00836 -0.02815 -0.02111 -0.12630 98 2S 1.98851 -1.14807 0.31152 0.01306 0.19182 99 3S 8.54263 -4.93209 0.79528 -0.55934 -3.84111 100 4S 0.78446 -0.45291 0.11649 -0.05895 -0.19895 101 5PX -0.01999 0.03869 -0.01855 0.00720 0.06695 102 5PY -0.03869 -0.02469 -0.01071 0.00416 0.03865 103 5PZ -0.01055 0.00609 0.02366 0.00369 0.02576 104 6PX 0.80210 -1.19357 0.45436 -0.16332 -1.25506 105 6PY 1.19357 0.57612 0.26233 -0.09429 -0.72461 106 6PZ 0.16094 -0.09292 -0.81165 0.04881 -0.21900 107 7PX 0.85666 -1.53004 0.36377 -0.20847 -1.46147 108 7PY 1.53004 0.91007 0.21002 -0.12036 -0.84378 109 7PZ 0.79284 -0.45775 -1.39413 0.15661 -0.84146 110 8D 0 -0.03225 0.01862 -0.03216 0.03058 0.00446 111 8D+1 -0.00365 -0.00979 0.00300 -0.01246 0.02925 112 8D-1 0.00979 0.01495 0.00173 -0.00720 0.01689 113 8D+2 0.00208 -0.03714 0.01580 0.01153 0.00966 114 8D-2 0.03955 -0.00208 0.02737 0.01998 0.01674 115 9D 0 -0.07745 0.04471 0.07179 -0.03373 0.24397 116 9D+1 0.24927 -0.09604 -0.60439 0.04244 -0.52815 117 9D-1 0.09604 -0.13837 -0.34894 0.02450 -0.30493 118 9D+2 -0.35897 -0.40804 0.09851 -0.06616 -0.43188 119 9D-2 -0.00646 0.35897 0.17062 -0.11459 -0.74803 81 82 83 84 85 (E)--V (E)--V (A2)--V (E)--V (E)--V Eigenvalues -- 2.15559 2.15559 2.16839 2.26899 2.26899 1 1 P 1S 0.00000 0.00000 0.00000 0.00000 0.00000 2 2S 0.00000 0.00000 0.00000 0.00000 0.00000 3 3S 0.00000 0.00000 0.00000 0.00000 0.00000 4 4S 0.00000 0.00000 0.00000 0.00000 0.00000 5 5S 0.00000 0.00000 0.00000 0.00000 0.00000 6 6S 0.00000 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 -0.09749 0.00000 -0.02477 0.00000 8 7PY 0.09749 0.00000 0.00000 0.00000 -0.02477 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 -1.08721 0.00000 0.79496 0.00000 11 8PY 1.08721 0.00000 0.00000 0.00000 0.79496 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.13291 0.00000 0.12655 0.00000 14 9PY -0.13291 0.00000 0.00000 0.00000 0.12655 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 2.48169 0.00000 -0.46623 0.00000 17 10PY -2.48169 0.00000 0.00000 0.00000 -0.46623 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 -0.23142 0.00000 0.03802 0.00000 20 11PY 0.23142 0.00000 0.00000 0.00000 0.03802 21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 -2.17209 0.00000 -0.72312 0.00000 24 12D-1 2.17209 0.00000 0.00000 0.00000 -0.72312 25 12D+2 1.84542 0.00000 0.00000 0.00000 2.58425 26 12D-2 0.00000 -1.84542 0.00000 2.58425 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.79484 0.00000 -0.41136 0.00000 29 13D-1 -0.79484 0.00000 0.00000 0.00000 -0.41136 30 13D+2 -0.54028 0.00000 0.00000 0.00000 -0.47951 31 13D-2 0.00000 0.54028 0.00000 -0.47951 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 -0.73449 0.00000 0.27448 0.00000 34 14D-1 0.73449 0.00000 0.00000 0.00000 0.27448 35 14D+2 0.29198 0.00000 0.00000 0.00000 0.25659 36 14D-2 0.00000 -0.29198 0.00000 0.25659 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.80729 0.00000 1.24487 0.00000 39 15F-1 -0.80729 0.00000 0.00000 0.00000 1.24487 40 15F+2 -0.86763 0.00000 0.00000 0.00000 -0.52483 41 15F-2 0.00000 0.86763 0.00000 -0.52483 0.00000 42 15F+3 0.00000 0.00000 1.46742 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.42649 0.00000 -0.12667 0.00000 46 16F-1 -0.42649 0.00000 0.00000 0.00000 -0.12667 47 16F+2 -0.58536 0.00000 0.00000 0.00000 -0.61814 48 16F-2 0.00000 0.58536 0.00000 -0.61814 0.00000 49 16F+3 0.00000 0.00000 -0.28321 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S -0.25201 0.00000 0.00000 0.00000 -0.12206 52 2S 2.76336 0.00000 0.00000 0.00000 0.94355 53 3S 0.40604 0.00000 0.00000 0.00000 -0.94294 54 4S -0.36523 0.00000 0.00000 0.00000 -0.14623 55 5PX 0.00000 -0.01237 -0.03283 0.03908 0.00000 56 5PY -0.05658 0.00000 0.00000 0.00000 -0.07600 57 5PZ 0.06468 0.00000 0.00000 0.00000 -0.00813 58 6PX 0.00000 0.54756 0.72673 -1.16542 0.00000 59 6PY -0.26337 0.00000 0.00000 0.00000 1.08407 60 6PZ -0.68071 0.00000 0.00000 0.00000 0.64204 61 7PX 0.00000 -0.05483 0.34765 -0.32127 0.00000 62 7PY 0.59129 0.00000 0.00000 0.00000 1.04579 63 7PZ -0.61648 0.00000 0.00000 0.00000 0.01175 64 8D 0 -0.01410 0.00000 0.00000 0.00000 -0.01182 65 8D+1 0.00000 -0.00776 -0.02364 -0.03744 0.00000 66 8D-1 -0.04025 0.00000 0.00000 0.00000 -0.01707 67 8D+2 -0.03615 0.00000 0.00000 0.00000 -0.00865 68 8D-2 0.00000 -0.02023 -0.01375 -0.02221 0.00000 69 9D 0 -0.35339 0.00000 0.00000 0.00000 0.81510 70 9D+1 0.00000 0.49630 0.32959 -0.41316 0.00000 71 9D-1 0.81713 0.00000 0.00000 0.00000 0.11328 72 9D+2 0.23461 0.00000 0.00000 0.00000 0.61484 73 9D-2 0.00000 -0.23432 -0.62662 0.48981 0.00000 74 3 H 1S 0.12601 0.21825 0.00000 -0.10571 0.06103 75 2S -1.38168 -2.39314 0.00000 0.81714 -0.47178 76 3S -0.20302 -0.35164 0.00000 -0.81661 0.47147 77 4S 0.18261 0.31630 0.00000 -0.12664 0.07312 78 5PX 0.02985 0.03934 0.01642 -0.04723 0.04983 79 5PY -0.00487 -0.02985 0.02844 0.04983 0.01031 80 5PZ -0.03234 -0.05601 0.00000 -0.00704 0.00407 81 6PX -0.12306 0.33442 -0.36337 0.52170 -0.97405 82 6PY -0.47651 0.12306 -0.62937 -0.97405 -0.60305 83 6PZ 0.34036 0.58951 0.00000 0.55602 -0.32102 84 7PX -0.23229 -0.45717 -0.17382 0.70402 -0.59195 85 7PY 0.18894 0.23229 -0.30107 -0.59195 0.02050 86 7PZ 0.30824 0.53388 0.00000 0.01017 -0.00587 87 8D 0 0.00705 0.01221 0.00000 -0.01024 0.00591 88 8D+1 0.02079 0.02825 0.01182 -0.02216 -0.00882 89 8D-1 -0.00424 -0.02079 0.02047 -0.00882 -0.03235 90 8D+2 0.00614 -0.02441 0.01190 -0.00587 -0.01882 91 8D-2 0.02441 0.02205 0.00687 -0.01204 -0.00587 92 9D 0 0.17670 0.30605 0.00000 0.70590 -0.40755 93 9D+1 -0.56873 -0.48877 -0.16479 -0.01833 -0.22796 94 9D-1 -0.16794 0.56873 -0.28543 -0.22796 -0.28155 95 9D+2 0.23440 0.00013 0.54267 -0.05414 0.52107 96 9D-2 -0.00013 -0.23454 0.31331 0.58358 -0.05414 97 4 H 1S 0.12601 -0.21825 0.00000 0.10571 0.06103 98 2S -1.38168 2.39314 0.00000 -0.81714 -0.47178 99 3S -0.20302 0.35164 0.00000 0.81661 0.47147 100 4S 0.18261 -0.31630 0.00000 0.12664 0.07312 101 5PX -0.02985 0.03934 0.01642 -0.04723 -0.04983 102 5PY -0.00487 0.02985 -0.02844 -0.04983 0.01031 103 5PZ -0.03234 0.05601 0.00000 0.00704 0.00407 104 6PX 0.12306 0.33442 -0.36337 0.52170 0.97405 105 6PY -0.47651 -0.12306 0.62937 0.97405 -0.60305 106 6PZ 0.34036 -0.58951 0.00000 -0.55602 -0.32102 107 7PX 0.23229 -0.45717 -0.17382 0.70402 0.59195 108 7PY 0.18894 -0.23229 0.30107 0.59195 0.02050 109 7PZ 0.30824 -0.53388 0.00000 -0.01017 -0.00587 110 8D 0 0.00705 -0.01221 0.00000 0.01024 0.00591 111 8D+1 -0.02079 0.02825 0.01182 -0.02216 0.00882 112 8D-1 -0.00424 0.02079 -0.02047 0.00882 -0.03235 113 8D+2 0.00614 0.02441 -0.01190 0.00587 -0.01882 114 8D-2 -0.02441 0.02205 0.00687 -0.01204 0.00587 115 9D 0 0.17670 -0.30605 0.00000 -0.70590 -0.40755 116 9D+1 0.56873 -0.48877 -0.16479 -0.01833 0.22796 117 9D-1 -0.16794 -0.56873 0.28543 0.22796 -0.28155 118 9D+2 0.23440 -0.00013 -0.54267 0.05414 0.52107 119 9D-2 0.00013 -0.23454 0.31331 0.58358 0.05414 86 87 88 89 90 (A1)--V (E)--V (E)--V (A1)--V (E)--V Eigenvalues -- 2.31369 2.41620 2.41620 2.69630 2.90923 1 1 P 1S 0.02056 0.00000 0.00000 -0.00137 0.00000 2 2S -0.20879 0.00000 0.00000 -0.18103 0.00000 3 3S 0.01653 0.00000 0.00000 -0.39594 0.00000 4 4S -0.40573 0.00000 0.00000 -0.26149 0.00000 5 5S 17.77302 0.00000 0.00000 5.23490 0.00000 6 6S 1.75044 0.00000 0.00000 0.53769 0.00000 7 7PX 0.00000 0.15978 0.00000 0.00000 -0.57241 8 7PY 0.00000 0.00000 0.15978 0.00000 0.00000 9 7PZ -0.05145 0.00000 0.00000 -0.69004 0.00000 10 8PX 0.00000 -1.65400 0.00000 0.00000 -3.73453 11 8PY 0.00000 0.00000 -1.65400 0.00000 0.00000 12 8PZ -1.44641 0.00000 0.00000 -3.44638 0.00000 13 9PX 0.00000 -0.53100 0.00000 0.00000 1.70128 14 9PY 0.00000 0.00000 -0.53100 0.00000 0.00000 15 9PZ 0.15120 0.00000 0.00000 1.99309 0.00000 16 10PX 0.00000 -1.26389 0.00000 0.00000 -4.87009 17 10PY 0.00000 0.00000 -1.26389 0.00000 0.00000 18 10PZ -4.00691 0.00000 0.00000 -1.74541 0.00000 19 11PX 0.00000 0.08836 0.00000 0.00000 -0.44499 20 11PY 0.00000 0.00000 0.08836 0.00000 0.00000 21 11PZ -0.01907 0.00000 0.00000 -0.20607 0.00000 22 12D 0 -2.36145 0.00000 0.00000 1.36772 0.00000 23 12D+1 0.00000 -0.18360 0.00000 0.00000 2.48913 24 12D-1 0.00000 0.00000 -0.18360 0.00000 0.00000 25 12D+2 0.00000 0.00000 1.98207 0.00000 0.00000 26 12D-2 0.00000 1.98207 0.00000 0.00000 1.74203 27 13D 0 0.09533 0.00000 0.00000 -0.06390 0.00000 28 13D+1 0.00000 0.90416 0.00000 0.00000 0.08452 29 13D-1 0.00000 0.00000 0.90416 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.55514 0.00000 0.00000 31 13D-2 0.00000 0.55514 0.00000 0.00000 0.07256 32 14D 0 -0.26869 0.00000 0.00000 0.13160 0.00000 33 14D+1 0.00000 -0.30176 0.00000 0.00000 0.89465 34 14D-1 0.00000 0.00000 -0.30176 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.22615 0.00000 0.00000 36 14D-2 0.00000 0.22615 0.00000 0.00000 0.60066 37 15F 0 1.18932 0.00000 0.00000 0.18064 0.00000 38 15F+1 0.00000 -0.10900 0.00000 0.00000 -0.26017 39 15F-1 0.00000 0.00000 -0.10900 0.00000 0.00000 40 15F+2 0.00000 0.00000 -1.37852 0.00000 0.00000 41 15F-2 0.00000 -1.37852 0.00000 0.00000 -0.86520 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -1.47296 0.00000 0.00000 -0.12045 0.00000 44 16F 0 0.52819 0.00000 0.00000 -0.23011 0.00000 45 16F+1 0.00000 0.39804 0.00000 0.00000 -0.34215 46 16F-1 0.00000 0.00000 0.39804 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.07756 0.00000 0.00000 48 16F-2 0.00000 0.07756 0.00000 0.00000 -0.26913 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.19246 0.00000 0.00000 0.01737 0.00000 51 2 H 1S 0.00707 0.00000 0.05597 -0.29039 0.00000 52 2S -2.28695 0.00000 1.43468 -0.49902 0.00000 53 3S -5.49816 0.00000 5.24461 -1.59685 0.00000 54 4S -0.17615 0.00000 0.24173 -0.04663 0.00000 55 5PX 0.00000 0.02834 0.00000 0.00000 0.06517 56 5PY -0.01197 0.00000 0.09742 0.02685 0.00000 57 5PZ 0.04727 0.00000 -0.07252 0.02071 0.00000 58 6PX 0.00000 -1.05907 0.00000 0.00000 0.04658 59 6PY 0.69930 0.00000 -1.73744 0.68529 0.00000 60 6PZ -1.55467 0.00000 1.40626 0.26973 0.00000 61 7PX 0.00000 -0.86931 0.00000 0.00000 0.12694 62 7PY 1.11839 0.00000 -2.08756 0.49145 0.00000 63 7PZ -1.28874 0.00000 1.30514 0.11545 0.00000 64 8D 0 0.00049 0.00000 -0.00835 0.01242 0.00000 65 8D+1 0.00000 -0.00721 0.00000 0.00000 0.06788 66 8D-1 0.06738 0.00000 -0.00831 0.11953 0.00000 67 8D+2 0.05863 0.00000 -0.00149 0.08775 0.00000 68 8D-2 0.00000 -0.01158 0.00000 0.00000 0.00118 69 9D 0 -0.38665 0.00000 -0.03280 0.29314 0.00000 70 9D+1 0.00000 -0.31554 0.00000 0.00000 -0.15013 71 9D-1 0.42007 0.00000 -0.68264 -0.36953 0.00000 72 9D+2 -0.33283 0.00000 -0.67073 0.17883 0.00000 73 9D-2 0.00000 0.75209 0.00000 0.00000 -0.19579 74 3 H 1S 0.00707 0.04847 -0.02798 -0.29039 0.65619 75 2S -2.28695 1.24247 -0.71734 -0.49902 1.85756 76 3S -5.49816 4.54197 -2.62231 -1.59685 6.17653 77 4S -0.17615 0.20934 -0.12086 -0.04663 0.50352 78 5PX -0.01037 0.08015 -0.02991 0.02325 0.07812 79 5PY 0.00598 -0.02991 0.04561 -0.01343 -0.00747 80 5PZ 0.04727 -0.06280 0.03626 0.02071 -0.01157 81 6PX 0.60561 -1.56784 0.29374 0.59348 -0.98805 82 6PY -0.34965 0.29374 -1.22866 -0.34264 0.59734 83 6PZ -1.55467 1.21786 -0.70313 0.26973 0.67834 84 7PX 0.96856 -1.78300 0.52752 0.42561 -1.07483 85 7PY -0.55920 0.52752 -1.17388 -0.24573 0.69384 86 7PZ -1.28874 1.13028 -0.65257 0.11545 0.86524 87 8D 0 0.00049 -0.00723 0.00417 0.01242 0.00787 88 8D+1 0.05836 -0.00803 0.00048 0.10352 -0.14954 89 8D-1 -0.03369 0.00048 -0.00748 -0.05977 0.12553 90 8D+2 -0.02931 -0.00437 -0.00906 -0.04388 0.06550 91 8D-2 0.05077 -0.00402 -0.00437 0.07600 -0.11227 92 9D 0 -0.38665 -0.02840 0.01640 0.29314 0.05422 93 9D+1 0.36379 -0.59086 0.15896 -0.32002 -0.01010 94 9D-1 -0.21003 0.15896 -0.40731 0.18476 -0.08084 95 9D+2 0.16642 0.61610 0.39638 -0.08942 -0.12261 96 9D-2 -0.28824 -0.31502 0.61610 0.15487 0.01657 97 4 H 1S 0.00707 -0.04847 -0.02798 -0.29039 -0.65619 98 2S -2.28695 -1.24247 -0.71734 -0.49902 -1.85756 99 3S -5.49816 -4.54197 -2.62231 -1.59685 -6.17653 100 4S -0.17615 -0.20934 -0.12086 -0.04663 -0.50352 101 5PX 0.01037 0.08015 0.02991 -0.02325 0.07812 102 5PY 0.00598 0.02991 0.04561 -0.01343 0.00747 103 5PZ 0.04727 0.06280 0.03626 0.02071 0.01157 104 6PX -0.60561 -1.56784 -0.29374 -0.59348 -0.98805 105 6PY -0.34965 -0.29374 -1.22866 -0.34264 -0.59734 106 6PZ -1.55467 -1.21786 -0.70313 0.26973 -0.67834 107 7PX -0.96856 -1.78300 -0.52752 -0.42561 -1.07483 108 7PY -0.55920 -0.52752 -1.17388 -0.24573 -0.69384 109 7PZ -1.28874 -1.13028 -0.65257 0.11545 -0.86524 110 8D 0 0.00049 0.00723 0.00417 0.01242 -0.00787 111 8D+1 -0.05836 -0.00803 -0.00048 -0.10352 -0.14954 112 8D-1 -0.03369 -0.00048 -0.00748 -0.05977 -0.12553 113 8D+2 -0.02931 0.00437 -0.00906 -0.04388 -0.06550 114 8D-2 -0.05077 -0.00402 0.00437 -0.07600 -0.11227 115 9D 0 -0.38665 0.02840 0.01640 0.29314 -0.05422 116 9D+1 -0.36379 -0.59086 -0.15896 0.32002 -0.01010 117 9D-1 -0.21003 -0.15896 -0.40731 0.18476 0.08084 118 9D+2 0.16642 -0.61610 0.39638 -0.08942 0.12261 119 9D-2 0.28824 -0.31502 -0.61610 -0.15487 0.01657 91 92 93 94 95 (E)--V (A1)--V (E)--V (E)--V (E)--V Eigenvalues -- 2.90923 3.45478 3.58496 3.58496 3.90534 1 1 P 1S 0.00000 -0.00508 0.00000 0.00000 0.00000 2 2S 0.00000 -0.41621 0.00000 0.00000 0.00000 3 3S 0.00000 -0.87644 0.00000 0.00000 0.00000 4 4S 0.00000 -0.48258 0.00000 0.00000 0.00000 5 5S 0.00000 19.20503 0.00000 0.00000 0.00000 6 6S 0.00000 1.97882 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 0.00000 -0.63178 -0.01375 8 7PY -0.57241 0.00000 -0.63178 0.00000 0.00000 9 7PZ 0.00000 -0.37004 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 -6.13481 -0.11618 11 8PY -3.73453 0.00000 -6.13481 0.00000 0.00000 12 8PZ 0.00000 -3.43459 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 1.82428 0.03237 14 9PY 1.70128 0.00000 1.82428 0.00000 0.00000 15 9PZ 0.00000 1.07787 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 -5.34200 -0.02918 17 10PY -4.87009 0.00000 -5.34200 0.00000 0.00000 18 10PZ 0.00000 -7.01404 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 0.00000 -0.20720 0.05119 20 11PY -0.44499 0.00000 -0.20720 0.00000 0.00000 21 11PZ 0.00000 -0.02095 0.00000 0.00000 0.00000 22 12D 0 0.00000 0.27684 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 4.07745 -0.01482 24 12D-1 2.48913 0.00000 4.07745 0.00000 0.00000 25 12D+2 1.74203 0.00000 2.71694 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 2.71694 0.03230 27 13D 0 0.00000 -0.10585 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.25977 0.01431 29 13D-1 0.08452 0.00000 0.25977 0.00000 0.00000 30 13D+2 0.07256 0.00000 0.29404 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.29404 0.00778 32 14D 0 0.00000 0.35286 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 1.12819 -0.13848 34 14D-1 0.89465 0.00000 1.12819 0.00000 0.00000 35 14D+2 0.60066 0.00000 0.42564 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.42564 0.09651 37 15F 0 0.00000 0.23571 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 -0.18445 -0.00344 39 15F-1 -0.26017 0.00000 -0.18445 0.00000 0.00000 40 15F+2 -0.86520 0.00000 -0.75880 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 -0.75880 -0.01903 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 -0.28565 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.53795 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 -0.82623 0.04344 46 16F-1 -0.34215 0.00000 -0.82623 0.00000 0.00000 47 16F+2 -0.26913 0.00000 -0.82061 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 -0.82061 -0.01967 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 -0.66220 0.00000 0.00000 0.00000 51 2 H 1S 0.75770 0.93216 -1.06957 0.00000 0.00000 52 2S 2.14492 -3.67446 7.16774 0.00000 0.00000 53 3S 7.13204 -5.47168 4.63280 0.00000 0.00000 54 4S 0.58142 -0.19371 0.35740 0.00000 0.00000 55 5PX 0.00000 0.00000 0.00000 -0.00101 0.00817 56 5PY 0.08243 0.03240 -0.06500 0.00000 0.00000 57 5PZ -0.01336 -0.06052 -0.01474 0.00000 0.00000 58 6PX 0.00000 0.00000 0.00000 0.20548 -0.01401 59 6PY -1.33293 1.20214 -2.39435 0.00000 0.00000 60 6PZ 0.78328 -0.51877 1.53436 0.00000 0.00000 61 7PX 0.00000 0.00000 0.00000 0.62330 -0.03109 62 7PY -1.47542 1.44438 -0.67477 0.00000 0.00000 63 7PZ 0.99909 -0.40919 0.74831 0.00000 0.00000 64 8D 0 0.00909 -0.09827 -0.05371 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.06530 -0.17443 66 8D-1 -0.22201 -0.05142 0.13127 0.00000 0.00000 67 8D+2 -0.15008 -0.10717 0.06803 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.19992 0.00450 69 9D 0 0.06261 0.12869 0.19930 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 -0.30293 0.12649 71 9D-1 0.03657 -0.06615 -0.54525 0.00000 0.00000 72 9D+2 0.08736 0.13396 -0.20510 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 -0.54651 -0.02066 74 3 H 1S -0.37885 0.93216 0.53478 -0.92627 0.01373 75 2S -1.07246 -3.67446 -3.58387 6.20745 -0.01244 76 3S -3.56602 -5.47168 -2.31640 4.01212 0.19077 77 4S -0.29071 -0.19371 -0.17870 0.30952 -0.03164 78 5PX -0.00747 0.02806 0.02771 -0.04900 0.00638 79 5PY 0.06949 -0.01620 -0.01701 0.02771 0.00104 80 5PZ 0.00668 -0.06052 0.00737 -0.01276 -0.01115 81 6PX 0.59734 1.04108 1.12576 -1.74439 -0.03009 82 6PY -0.29830 -0.60107 -0.44447 1.12576 0.00929 83 6PZ -0.39164 -0.51877 -0.76718 1.32879 0.02842 84 7PX 0.69384 1.25087 0.56208 -0.35025 -0.11079 85 7PY -0.27365 -0.72219 0.29878 0.56208 0.04601 86 7PZ -0.49955 -0.40919 -0.37416 0.64806 0.02354 87 8D 0 -0.00455 -0.09827 0.02686 -0.04652 -0.42756 88 8D+1 0.12553 -0.04453 -0.02857 0.11478 -0.37639 89 8D-1 -0.00459 0.02571 0.08179 -0.02857 0.11660 90 8D+2 -0.03664 0.05359 0.16695 0.05711 -0.26392 91 8D-2 0.06550 -0.09281 0.05711 0.10101 0.46162 92 9D 0 -0.03130 0.12869 -0.09965 0.17260 0.20405 93 9D+1 -0.08084 -0.05728 0.10493 -0.48467 0.21666 94 9D-1 -0.10346 0.03307 -0.36351 0.10493 -0.05206 95 9D+2 -0.12500 -0.06698 -0.46116 -0.14783 0.15090 96 9D-2 -0.12261 0.11601 -0.14783 -0.29046 -0.28202 97 4 H 1S -0.37885 0.93216 0.53478 0.92627 -0.01373 98 2S -1.07246 -3.67446 -3.58387 -6.20745 0.01244 99 3S -3.56602 -5.47168 -2.31640 -4.01212 -0.19077 100 4S -0.29071 -0.19371 -0.17870 -0.30952 0.03164 101 5PX 0.00747 -0.02806 -0.02771 -0.04900 0.00638 102 5PY 0.06949 -0.01620 -0.01701 -0.02771 -0.00104 103 5PZ 0.00668 -0.06052 0.00737 0.01276 0.01115 104 6PX -0.59734 -1.04108 -1.12576 -1.74439 -0.03009 105 6PY -0.29830 -0.60107 -0.44447 -1.12576 -0.00929 106 6PZ -0.39164 -0.51877 -0.76718 -1.32879 -0.02842 107 7PX -0.69384 -1.25087 -0.56208 -0.35025 -0.11079 108 7PY -0.27365 -0.72219 0.29878 -0.56208 -0.04601 109 7PZ -0.49955 -0.40919 -0.37416 -0.64806 -0.02354 110 8D 0 -0.00455 -0.09827 0.02686 0.04652 0.42756 111 8D+1 -0.12553 0.04453 0.02857 0.11478 -0.37639 112 8D-1 -0.00459 0.02571 0.08179 0.02857 -0.11660 113 8D+2 -0.03664 0.05359 0.16695 -0.05711 0.26392 114 8D-2 -0.06550 0.09281 -0.05711 0.10101 0.46162 115 9D 0 -0.03130 0.12869 -0.09965 -0.17260 -0.20405 116 9D+1 0.08084 0.05728 -0.10493 -0.48467 0.21666 117 9D-1 -0.10346 0.03307 -0.36351 -0.10493 0.05206 118 9D+2 -0.12500 -0.06698 -0.46116 0.14783 -0.15090 119 9D-2 0.12261 -0.11601 0.14783 -0.29046 -0.28202 96 97 98 99 100 (E)--V (A2)--V (E)--V (E)--V (A1)--V Eigenvalues -- 3.90534 3.92181 3.98972 3.98972 4.11552 1 1 P 1S 0.00000 0.00000 0.00000 0.00000 -0.00137 2 2S 0.00000 0.00000 0.00000 0.00000 0.05864 3 3S 0.00000 0.00000 0.00000 0.00000 0.05322 4 4S 0.00000 0.00000 0.00000 0.00000 -0.12504 5 5S 0.00000 0.00000 0.00000 0.00000 0.83139 6 6S 0.00000 0.00000 0.00000 0.00000 0.28310 7 7PX 0.00000 0.00000 -0.14960 0.00000 0.00000 8 7PY -0.01375 0.00000 0.00000 -0.14960 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.01567 10 8PX 0.00000 0.00000 -1.33101 0.00000 0.00000 11 8PY -0.11618 0.00000 0.00000 -1.33101 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 -0.09338 13 9PX 0.00000 0.00000 0.45110 0.00000 0.00000 14 9PY 0.03237 0.00000 0.00000 0.45110 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.04904 16 10PX 0.00000 0.00000 -2.55072 0.00000 0.00000 17 10PY -0.02918 0.00000 0.00000 -2.55072 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.58099 19 11PX 0.00000 0.00000 -0.00826 0.00000 0.00000 20 11PY 0.05119 0.00000 0.00000 -0.00826 0.00000 21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.06070 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.21691 23 12D+1 0.00000 0.00000 1.28670 0.00000 0.00000 24 12D-1 -0.01482 0.00000 0.00000 1.28670 0.00000 25 12D+2 0.03230 0.00000 0.00000 0.56035 0.00000 26 12D-2 0.00000 0.00000 0.56035 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 -0.03667 28 13D+1 0.00000 0.00000 -0.09395 0.00000 0.00000 29 13D-1 0.01431 0.00000 0.00000 -0.09395 0.00000 30 13D+2 0.00778 0.00000 0.00000 0.09293 0.00000 31 13D-2 0.00000 0.00000 0.09293 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.30070 33 14D+1 0.00000 0.00000 0.53280 0.00000 0.00000 34 14D-1 -0.13848 0.00000 0.00000 0.53280 0.00000 35 14D+2 0.09651 0.00000 0.00000 0.03831 0.00000 36 14D-2 0.00000 0.00000 0.03831 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.24771 38 15F+1 0.00000 0.00000 -0.00723 0.00000 0.00000 39 15F-1 -0.00344 0.00000 0.00000 -0.00723 0.00000 40 15F+2 -0.01903 0.00000 0.00000 -0.12164 0.00000 41 15F-2 0.00000 0.00000 -0.12164 0.00000 0.00000 42 15F+3 0.00000 -0.07980 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.22065 44 16F 0 0.00000 0.00000 0.00000 0.00000 -0.43935 45 16F+1 0.00000 0.00000 -0.22228 0.00000 0.00000 46 16F-1 0.04344 0.00000 0.00000 -0.22228 0.00000 47 16F+2 -0.01967 0.00000 0.00000 -0.31116 0.00000 48 16F-2 0.00000 0.00000 -0.31116 0.00000 0.00000 49 16F+3 0.00000 -0.06499 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 -0.33369 51 2 H 1S 0.01585 0.00000 0.00000 -0.14092 0.02508 52 2S -0.01436 0.00000 0.00000 1.46757 -0.10172 53 3S 0.22028 0.00000 0.00000 3.71297 -0.33770 54 4S -0.03653 0.00000 0.00000 0.16111 -0.03257 55 5PX 0.00000 -0.05576 -0.00856 0.00000 0.00000 56 5PY 0.00578 0.00000 0.00000 0.08340 -0.01617 57 5PZ -0.01287 0.00000 0.00000 0.02867 -0.00050 58 6PX 0.00000 0.10783 0.05853 0.00000 0.00000 59 6PY -0.03546 0.00000 0.00000 -0.71580 0.08659 60 6PZ 0.03282 0.00000 0.00000 0.27523 0.01535 61 7PX 0.00000 0.48199 0.12769 0.00000 0.00000 62 7PY -0.13735 0.00000 0.00000 -1.22294 0.13027 63 7PZ 0.02718 0.00000 0.00000 0.14295 0.07052 64 8D 0 -0.49370 0.00000 0.00000 0.47633 0.43973 65 8D+1 0.00000 0.22090 -0.67288 0.00000 0.00000 66 8D-1 -0.44371 0.00000 0.00000 -0.03410 0.25329 67 8D+2 0.61399 0.00000 0.00000 0.17368 -0.43548 68 8D-2 0.00000 0.61850 -0.35969 0.00000 0.00000 69 9D 0 0.23562 0.00000 0.00000 -0.34845 -0.25952 70 9D+1 0.00000 -0.16504 0.31304 0.00000 0.00000 71 9D-1 0.24671 0.00000 0.00000 0.03064 -0.17245 72 9D+2 -0.36914 0.00000 0.00000 -0.16397 0.25971 73 9D-2 0.00000 -0.54482 0.12393 0.00000 0.00000 74 3 H 1S -0.00793 0.00000 -0.12204 0.07046 0.02508 75 2S 0.00718 0.00000 1.27096 -0.73379 -0.10172 76 3S -0.11014 0.00000 3.21552 -1.85648 -0.33770 77 4S 0.01827 0.00000 0.13952 -0.08055 -0.03257 78 5PX 0.00104 0.02788 0.06041 -0.03982 -0.01401 79 5PY 0.00757 0.04829 -0.03982 0.01443 0.00809 80 5PZ 0.00644 0.00000 0.02483 -0.01434 -0.00050 81 6PX 0.00929 -0.05392 -0.52221 0.33529 0.07499 82 6PY -0.01937 -0.09338 0.33529 -0.13505 -0.04330 83 6PZ -0.01641 0.00000 0.23836 -0.13762 0.01535 84 7PX 0.04601 -0.24099 -0.88528 0.58484 0.11281 85 7PY -0.05765 -0.41741 0.58484 -0.20997 -0.06513 86 7PZ -0.01359 0.00000 0.12380 -0.07148 0.07052 87 8D 0 0.24685 0.00000 0.41252 -0.23817 0.43973 88 8D+1 0.11660 -0.11045 -0.19379 -0.27660 0.21936 89 8D-1 -0.24175 -0.19131 -0.27660 -0.51318 -0.12665 90 8D+2 0.15687 -0.53564 -0.23096 -0.22634 0.21774 91 8D-2 -0.26392 -0.30925 0.04034 -0.23096 -0.37713 92 9D 0 -0.11781 0.00000 -0.30176 0.17422 -0.25952 93 9D+1 -0.05206 0.08252 0.10124 0.12228 -0.14934 94 9D-1 0.15655 0.14293 0.12228 0.24244 0.08622 95 9D+2 -0.10778 0.47182 0.12467 0.05195 -0.12985 96 9D-2 0.15090 0.27241 -0.09200 0.12467 0.22491 97 4 H 1S -0.00793 0.00000 0.12204 0.07046 0.02508 98 2S 0.00718 0.00000 -1.27096 -0.73379 -0.10172 99 3S -0.11014 0.00000 -3.21552 -1.85648 -0.33770 100 4S 0.01827 0.00000 -0.13952 -0.08055 -0.03257 101 5PX -0.00104 0.02788 0.06041 0.03982 0.01401 102 5PY 0.00757 -0.04829 0.03982 0.01443 0.00809 103 5PZ 0.00644 0.00000 -0.02483 -0.01434 -0.00050 104 6PX -0.00929 -0.05392 -0.52221 -0.33529 -0.07499 105 6PY -0.01937 0.09338 -0.33529 -0.13505 -0.04330 106 6PZ -0.01641 0.00000 -0.23836 -0.13762 0.01535 107 7PX -0.04601 -0.24099 -0.88528 -0.58484 -0.11281 108 7PY -0.05765 0.41741 -0.58484 -0.20997 -0.06513 109 7PZ -0.01359 0.00000 -0.12380 -0.07148 0.07052 110 8D 0 0.24685 0.00000 -0.41252 -0.23817 0.43973 111 8D+1 -0.11660 -0.11045 -0.19379 0.27660 -0.21936 112 8D-1 -0.24175 0.19131 0.27660 -0.51318 -0.12665 113 8D+2 0.15687 0.53564 0.23096 -0.22634 0.21774 114 8D-2 0.26392 -0.30925 0.04034 0.23096 0.37713 115 9D 0 -0.11781 0.00000 0.30176 0.17422 -0.25952 116 9D+1 0.05206 0.08252 0.10124 -0.12228 0.14934 117 9D-1 0.15655 -0.14293 -0.12228 0.24244 0.08622 118 9D+2 -0.10778 -0.47182 -0.12467 0.05195 -0.12985 119 9D-2 -0.15090 0.27241 -0.09200 -0.12467 -0.22491 101 102 103 104 105 (E)--V (E)--V (A2)--V (A1)--V (E)--V Eigenvalues -- 4.12959 4.12959 4.19877 4.31446 4.43957 1 1 P 1S 0.00000 0.00000 0.00000 0.00849 0.00000 2 2S 0.00000 0.00000 0.00000 0.19637 0.00000 3 3S 0.00000 0.00000 0.00000 0.62731 0.00000 4 4S 0.00000 0.00000 0.00000 0.16468 0.00000 5 5S 0.00000 0.00000 0.00000 3.23938 0.00000 6 6S 0.00000 0.00000 0.00000 1.44972 0.00000 7 7PX 0.03357 0.00000 0.00000 0.00000 0.05584 8 7PY 0.00000 0.03357 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 -0.07689 0.00000 10 8PX 0.23794 0.00000 0.00000 0.00000 1.06302 11 8PY 0.00000 0.23794 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.68541 0.00000 13 9PX 0.00266 0.00000 0.00000 0.00000 -0.08915 14 9PY 0.00000 0.00266 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.03074 0.00000 16 10PX 3.40309 0.00000 0.00000 0.00000 1.78165 17 10PY 0.00000 3.40309 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 -2.45913 0.00000 19 11PX 0.31536 0.00000 0.00000 0.00000 0.07077 20 11PY 0.00000 0.31536 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00000 -0.23709 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.91580 0.00000 23 12D+1 -0.38013 0.00000 0.00000 0.00000 -0.40366 24 12D-1 0.00000 -0.38013 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.05019 0.00000 0.00000 0.00000 26 12D-2 0.05019 0.00000 0.00000 0.00000 0.73009 27 13D 0 0.00000 0.00000 0.00000 -0.23814 0.00000 28 13D+1 0.02662 0.00000 0.00000 0.00000 0.00164 29 13D-1 0.00000 0.02662 0.00000 0.00000 0.00000 30 13D+2 0.00000 -0.07584 0.00000 0.00000 0.00000 31 13D-2 -0.07584 0.00000 0.00000 0.00000 -0.21929 32 14D 0 0.00000 0.00000 0.00000 0.60885 0.00000 33 14D+1 -0.58896 0.00000 0.00000 0.00000 -0.42240 34 14D-1 0.00000 -0.58896 0.00000 0.00000 0.00000 35 14D+2 0.00000 -0.08513 0.00000 0.00000 0.00000 36 14D-2 -0.08513 0.00000 0.00000 0.00000 0.26666 37 15F 0 0.00000 0.00000 0.00000 -0.03071 0.00000 38 15F+1 0.37953 0.00000 0.00000 0.00000 -0.27499 39 15F-1 0.00000 0.37953 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.27318 0.00000 0.00000 0.00000 41 15F-2 0.27318 0.00000 0.00000 0.00000 0.00410 42 15F+3 0.00000 0.00000 0.61669 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00168 0.00000 44 16F 0 0.00000 0.00000 0.00000 -0.26055 0.00000 45 16F+1 -0.26821 0.00000 0.00000 0.00000 0.04635 46 16F-1 0.00000 -0.26821 0.00000 0.00000 0.00000 47 16F+2 0.00000 -0.21246 0.00000 0.00000 0.00000 48 16F-2 -0.21246 0.00000 0.00000 0.00000 -0.52899 49 16F+3 0.00000 0.00000 -0.53013 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.28311 0.00000 51 2 H 1S 0.00000 -0.16533 0.00000 -0.08418 0.00000 52 2S 0.00000 0.10111 0.00000 0.27883 0.00000 53 3S 0.00000 -3.35148 0.00000 -1.82782 0.00000 54 4S 0.00000 -0.34671 0.00000 -0.16384 0.00000 55 5PX 0.13492 0.00000 -0.07107 0.00000 0.93548 56 5PY 0.00000 -0.13411 0.00000 -0.64762 0.00000 57 5PZ 0.00000 0.12680 0.00000 -0.06333 0.00000 58 6PX -0.16219 0.00000 0.14216 0.00000 -1.15530 59 6PY 0.00000 0.31455 0.00000 0.72465 0.00000 60 6PZ 0.00000 -0.17368 0.00000 0.12081 0.00000 61 7PX -0.75184 0.00000 -0.33332 0.00000 -0.68155 62 7PY 0.00000 0.39629 0.00000 0.76719 0.00000 63 7PZ 0.00000 -0.90179 0.00000 0.23591 0.00000 64 8D 0 0.00000 0.48398 0.00000 -0.31920 0.00000 65 8D+1 0.59753 0.00000 0.65369 0.00000 -0.04003 66 8D-1 0.00000 -0.26561 0.00000 0.12085 0.00000 67 8D+2 0.00000 0.37281 0.00000 -0.23033 0.00000 68 8D-2 -0.32659 0.00000 -0.25594 0.00000 -0.29144 69 9D 0 0.00000 -0.23191 0.00000 0.32523 0.00000 70 9D+1 -0.36319 0.00000 -0.35530 0.00000 -0.25817 71 9D-1 0.00000 0.18638 0.00000 0.01645 0.00000 72 9D+2 0.00000 -0.16022 0.00000 0.37417 0.00000 73 9D-2 0.24699 0.00000 -0.03023 0.00000 0.51943 74 3 H 1S -0.14318 0.08267 0.00000 -0.08418 0.00177 75 2S 0.08757 -0.05056 0.00000 0.27883 0.08630 76 3S -2.90247 1.67574 0.00000 -1.82782 -1.36965 77 4S -0.30026 0.17335 0.00000 -0.16384 -0.07173 78 5PX -0.06685 0.11649 0.03554 -0.56085 0.21623 79 5PY 0.11649 0.06767 0.06155 0.32381 0.41526 80 5PZ 0.10981 -0.06340 0.00000 -0.06333 0.43793 81 6PX 0.19536 -0.20643 -0.07108 0.62756 -0.17923 82 6PY -0.20643 -0.04300 -0.12311 -0.36232 -0.56353 83 6PZ -0.15041 0.08684 0.00000 0.12081 -0.60313 84 7PX 0.10926 -0.49715 0.16666 0.66441 0.14411 85 7PY -0.49715 -0.46481 0.28866 -0.38359 -0.47669 86 7PZ -0.78097 0.45089 0.00000 0.23591 -0.19574 87 8D 0 0.41913 -0.24199 0.00000 -0.31920 -0.22084 88 8D+1 -0.04983 0.37375 -0.32684 0.10466 0.14705 89 8D-1 0.37375 0.38175 -0.56611 -0.06042 -0.10801 90 8D+2 -0.30285 -0.15174 0.22165 0.11517 -0.09335 91 8D-2 0.19796 -0.30285 0.12797 -0.19947 -0.12976 92 9D 0 -0.20084 0.11596 0.00000 0.32523 -0.04649 93 9D+1 0.04899 -0.23797 0.17765 0.01424 0.08580 94 9D-1 -0.23797 -0.22580 0.30770 -0.00822 -0.19859 95 9D+2 0.17633 0.14519 0.02618 -0.18708 0.20970 96 9D-2 -0.05842 0.17633 0.01511 0.32404 0.15622 97 4 H 1S 0.14318 0.08267 0.00000 -0.08418 -0.00177 98 2S -0.08757 -0.05056 0.00000 0.27883 -0.08630 99 3S 2.90247 1.67574 0.00000 -1.82782 1.36965 100 4S 0.30026 0.17335 0.00000 -0.16384 0.07173 101 5PX -0.06685 -0.11649 0.03554 0.56085 0.21623 102 5PY -0.11649 0.06767 -0.06155 0.32381 -0.41526 103 5PZ -0.10981 -0.06340 0.00000 -0.06333 -0.43793 104 6PX 0.19536 0.20643 -0.07108 -0.62756 -0.17923 105 6PY 0.20643 -0.04300 0.12311 -0.36232 0.56353 106 6PZ 0.15041 0.08684 0.00000 0.12081 0.60313 107 7PX 0.10926 0.49715 0.16666 -0.66441 0.14411 108 7PY 0.49715 -0.46481 -0.28866 -0.38359 0.47669 109 7PZ 0.78097 0.45089 0.00000 0.23591 0.19574 110 8D 0 -0.41913 -0.24199 0.00000 -0.31920 0.22084 111 8D+1 -0.04983 -0.37375 -0.32684 -0.10466 0.14705 112 8D-1 -0.37375 0.38175 0.56611 -0.06042 0.10801 113 8D+2 0.30285 -0.15174 -0.22165 0.11517 0.09335 114 8D-2 0.19796 0.30285 0.12797 0.19947 -0.12976 115 9D 0 0.20084 0.11596 0.00000 0.32523 0.04649 116 9D+1 0.04899 0.23797 0.17765 -0.01424 0.08580 117 9D-1 0.23797 -0.22580 -0.30770 -0.00822 0.19859 118 9D+2 -0.17633 0.14519 -0.02618 -0.18708 -0.20970 119 9D-2 -0.05842 -0.17633 0.01511 -0.32404 0.15622 106 107 108 109 110 (E)--V (A1)--V (E)--V (E)--V (A2)--V Eigenvalues -- 4.43957 4.47545 4.52181 4.52181 4.54178 1 1 P 1S 0.00000 0.00070 0.00000 0.00000 0.00000 2 2S 0.00000 0.59614 0.00000 0.00000 0.00000 3 3S 0.00000 1.07035 0.00000 0.00000 0.00000 4 4S 0.00000 -0.16223 0.00000 0.00000 0.00000 5 5S 0.00000 1.48381 0.00000 0.00000 0.00000 6 6S 0.00000 0.27429 0.00000 0.00000 0.00000 7 7PX 0.00000 0.00000 -0.04822 0.00000 0.00000 8 7PY 0.05584 0.00000 0.00000 -0.04822 0.00000 9 7PZ 0.00000 -0.08742 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 -0.54808 0.00000 0.00000 11 8PY 1.06302 0.00000 0.00000 -0.54808 0.00000 12 8PZ 0.00000 0.08734 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.12814 0.00000 0.00000 14 9PY -0.08915 0.00000 0.00000 0.12814 0.00000 15 9PZ 0.00000 0.11814 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 -0.39870 0.00000 0.00000 17 10PY 1.78165 0.00000 0.00000 -0.39870 0.00000 18 10PZ 0.00000 1.41987 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 0.08240 0.00000 0.00000 20 11PY 0.07077 0.00000 0.00000 0.08240 0.00000 21 11PZ 0.00000 0.06429 0.00000 0.00000 0.00000 22 12D 0 0.00000 -0.68255 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 -0.58024 0.00000 0.00000 24 12D-1 -0.40366 0.00000 0.00000 -0.58024 0.00000 25 12D+2 0.73009 0.00000 0.00000 0.97504 0.00000 26 12D-2 0.00000 0.00000 0.97504 0.00000 0.00000 27 13D 0 0.00000 0.20922 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.11803 0.00000 0.00000 29 13D-1 0.00164 0.00000 0.00000 0.11803 0.00000 30 13D+2 -0.21929 0.00000 0.00000 -0.16218 0.00000 31 13D-2 0.00000 0.00000 -0.16218 0.00000 0.00000 32 14D 0 0.00000 -0.80704 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 -0.36715 0.00000 0.00000 34 14D-1 -0.42240 0.00000 0.00000 -0.36715 0.00000 35 14D+2 0.26666 0.00000 0.00000 0.48900 0.00000 36 14D-2 0.00000 0.00000 0.48900 0.00000 0.00000 37 15F 0 0.00000 -0.36851 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 -0.07763 0.00000 0.00000 39 15F-1 -0.27499 0.00000 0.00000 -0.07763 0.00000 40 15F+2 0.00410 0.00000 0.00000 0.14328 0.00000 41 15F-2 0.00000 0.00000 0.14328 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.05986 43 15F-3 0.00000 0.42438 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.26489 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.70208 0.00000 0.00000 46 16F-1 0.04635 0.00000 0.00000 0.70208 0.00000 47 16F+2 -0.52899 0.00000 0.00000 -0.27355 0.00000 48 16F-2 0.00000 0.00000 -0.27355 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.57940 50 16F-3 0.00000 -0.20985 0.00000 0.00000 0.00000 51 2 H 1S 0.00204 -0.02997 0.00000 -0.02679 0.00000 52 2S 0.09966 0.54734 0.00000 0.13749 0.00000 53 3S -1.58153 -0.91830 0.00000 0.92545 0.00000 54 4S -0.08283 -0.06211 0.00000 -0.02871 0.00000 55 5PX 0.00000 0.00000 0.24308 0.00000 -0.84620 56 5PY -0.02352 -0.21711 0.00000 -0.48013 0.00000 57 5PZ 0.50568 0.58973 0.00000 -0.95257 0.00000 58 6PX 0.00000 0.00000 -0.36498 0.00000 0.99651 59 6PY 0.14613 -0.02342 0.00000 0.51457 0.00000 60 6PZ -0.69643 -0.48139 0.00000 1.22379 0.00000 61 7PX 0.00000 0.00000 -0.51202 0.00000 0.45483 62 7PY 0.41933 0.14750 0.00000 0.03625 0.00000 63 7PZ -0.22602 -0.90034 0.00000 0.76424 0.00000 64 8D 0 -0.25500 0.14746 0.00000 -0.16065 0.00000 65 8D+1 0.00000 0.00000 0.02334 0.00000 -0.08123 66 8D-1 0.20941 -0.46818 0.00000 0.10851 0.00000 67 8D+2 -0.07587 -0.12461 0.00000 -0.07000 0.00000 68 8D-2 0.00000 0.00000 -0.36645 0.00000 0.00909 69 9D 0 -0.05368 -0.14237 0.00000 0.52007 0.00000 70 9D+1 0.00000 0.00000 -0.04272 0.00000 0.27499 71 9D-1 0.20046 0.49144 0.00000 -0.31407 0.00000 72 9D+2 0.03515 0.10063 0.00000 0.19607 0.00000 73 9D-2 0.00000 0.00000 0.28316 0.00000 -0.41449 74 3 H 1S -0.00102 -0.02997 -0.02320 0.01340 0.00000 75 2S -0.04983 0.54734 0.11907 -0.06874 0.00000 76 3S 0.79077 -0.91830 0.80146 -0.46273 0.00000 77 4S 0.04141 -0.06211 -0.02487 0.01436 0.00000 78 5PX 0.41526 -0.18802 -0.29933 0.31316 0.42310 79 5PY 0.69573 0.10855 0.31316 0.06228 0.73283 80 5PZ -0.25284 0.58973 -0.82495 0.47629 0.00000 81 6PX -0.56353 -0.02028 0.29468 -0.38086 -0.49825 82 6PY -0.82994 0.01171 -0.38086 -0.14509 -0.86300 83 6PZ 0.34821 -0.48139 1.05983 -0.61189 0.00000 84 7PX -0.47669 0.12774 -0.10082 -0.23741 -0.22741 85 7PY -0.40633 -0.07375 -0.23741 -0.37495 -0.39389 86 7PZ 0.11301 -0.90034 0.66185 -0.38212 0.00000 87 8D 0 0.12750 0.14746 -0.13913 0.08033 0.00000 88 8D+1 -0.10801 -0.40546 0.08722 -0.03688 0.04062 89 8D-1 0.02233 0.23409 -0.03688 0.04464 0.07035 90 8D+2 -0.23755 0.06230 -0.12837 -0.29233 -0.00787 91 8D-2 -0.09335 -0.10791 -0.14411 -0.12837 -0.00454 92 9D 0 0.02684 -0.14237 0.45040 -0.26004 0.00000 93 9D+1 -0.19859 0.42560 -0.24624 0.11750 -0.13749 94 9D-1 -0.14352 -0.24572 0.11750 -0.11056 -0.23815 95 9D+2 0.39836 -0.05031 0.03771 0.26139 0.35896 96 9D-2 0.20970 0.08715 0.21784 0.03771 0.20724 97 4 H 1S -0.00102 -0.02997 0.02320 0.01340 0.00000 98 2S -0.04983 0.54734 -0.11907 -0.06874 0.00000 99 3S 0.79077 -0.91830 -0.80146 -0.46273 0.00000 100 4S 0.04141 -0.06211 0.02487 0.01436 0.00000 101 5PX -0.41526 0.18802 -0.29933 -0.31316 0.42310 102 5PY 0.69573 0.10855 -0.31316 0.06228 -0.73283 103 5PZ -0.25284 0.58973 0.82495 0.47629 0.00000 104 6PX 0.56353 0.02028 0.29468 0.38086 -0.49825 105 6PY -0.82994 0.01171 0.38086 -0.14509 0.86300 106 6PZ 0.34821 -0.48139 -1.05983 -0.61189 0.00000 107 7PX 0.47669 -0.12774 -0.10082 0.23741 -0.22741 108 7PY -0.40633 -0.07375 0.23741 -0.37495 0.39389 109 7PZ 0.11301 -0.90034 -0.66185 -0.38212 0.00000 110 8D 0 0.12750 0.14746 0.13913 0.08033 0.00000 111 8D+1 0.10801 0.40546 0.08722 0.03688 0.04062 112 8D-1 0.02233 0.23409 0.03688 0.04464 -0.07035 113 8D+2 -0.23755 0.06230 0.12837 -0.29233 0.00787 114 8D-2 0.09335 0.10791 -0.14411 0.12837 -0.00454 115 9D 0 0.02684 -0.14237 -0.45040 -0.26004 0.00000 116 9D+1 0.19859 -0.42560 -0.24624 -0.11750 -0.13749 117 9D-1 -0.14352 -0.24572 -0.11750 -0.11056 0.23815 118 9D+2 0.39836 -0.05031 -0.03771 0.26139 -0.35896 119 9D-2 -0.20970 -0.08715 0.21784 -0.03771 0.20724 111 112 113 114 115 (A1)--V (E)--V (E)--V (E)--V (E)--V Eigenvalues -- 4.67001 4.74411 4.74411 4.80969 4.80969 1 1 P 1S -0.00280 0.00000 0.00000 0.00000 0.00000 2 2S -0.02449 0.00000 0.00000 0.00000 0.00000 3 3S -0.08511 0.00000 0.00000 0.00000 0.00000 4 4S 0.05167 0.00000 0.00000 0.00000 0.00000 5 5S 1.26846 0.00000 0.00000 0.00000 0.00000 6 6S 0.42574 0.00000 0.00000 0.00000 0.00000 7 7PX 0.00000 -0.11539 0.00000 0.06188 0.00000 8 7PY 0.00000 0.00000 -0.11539 0.00000 0.06188 9 7PZ -0.15900 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 -0.59526 0.00000 0.86260 0.00000 11 8PY 0.00000 0.00000 -0.59526 0.00000 0.86260 12 8PZ -1.53127 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.30264 0.00000 -0.44712 0.00000 14 9PY 0.00000 0.00000 0.30264 0.00000 -0.44712 15 9PZ 0.53414 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 -1.97572 0.00000 -0.61170 0.00000 17 10PY 0.00000 0.00000 -1.97572 0.00000 -0.61170 18 10PZ -1.77257 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 -0.14890 0.00000 -0.23722 0.00000 20 11PY 0.00000 0.00000 -0.14890 0.00000 -0.23722 21 11PZ -0.04510 0.00000 0.00000 0.00000 0.00000 22 12D 0 2.18418 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 1.27680 0.00000 -1.15651 0.00000 24 12D-1 0.00000 0.00000 1.27680 0.00000 -1.15651 25 12D+2 0.00000 0.00000 -1.56774 0.00000 0.20646 26 12D-2 0.00000 -1.56774 0.00000 0.20646 0.00000 27 13D 0 0.07223 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 -0.16589 0.00000 -0.21661 0.00000 29 13D-1 0.00000 0.00000 -0.16589 0.00000 -0.21661 30 13D+2 0.00000 0.00000 -0.27608 0.00000 -0.17478 31 13D-2 0.00000 -0.27608 0.00000 -0.17478 0.00000 32 14D 0 0.48056 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.48932 0.00000 -0.02191 0.00000 34 14D-1 0.00000 0.00000 0.48932 0.00000 -0.02191 35 14D+2 0.00000 0.00000 -0.02295 0.00000 0.45973 36 14D-2 0.00000 -0.02295 0.00000 0.45973 0.00000 37 15F 0 -0.31648 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 -0.41773 0.00000 0.38455 0.00000 39 15F-1 0.00000 0.00000 -0.41773 0.00000 0.38455 40 15F+2 0.00000 0.00000 0.71307 0.00000 0.42176 41 15F-2 0.00000 0.71307 0.00000 0.42176 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.43059 0.00000 0.00000 0.00000 0.00000 44 16F 0 -0.65202 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 -0.47117 0.00000 0.31482 0.00000 46 16F-1 0.00000 0.00000 -0.47117 0.00000 0.31482 47 16F+2 0.00000 0.00000 0.36824 0.00000 -0.21753 48 16F-2 0.00000 0.36824 0.00000 -0.21753 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.17262 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.06746 0.00000 -0.03720 0.00000 -0.05255 52 2S 0.00924 0.00000 -0.31192 0.00000 -1.49429 53 3S -0.58815 0.00000 2.50052 0.00000 3.78457 54 4S -0.04260 0.00000 0.23754 0.00000 0.45745 55 5PX 0.00000 -0.58795 0.00000 0.46230 0.00000 56 5PY -0.41402 0.00000 0.52587 0.00000 0.94963 57 5PZ -0.51586 0.00000 0.11380 0.00000 -0.54951 58 6PX 0.00000 1.58472 0.00000 -0.80602 0.00000 59 6PY 0.87665 0.00000 -0.70673 0.00000 -0.38154 60 6PZ 1.13779 0.00000 -0.70442 0.00000 0.51781 61 7PX 0.00000 0.42154 0.00000 -0.55473 0.00000 62 7PY 0.37471 0.00000 -0.74310 0.00000 -1.31592 63 7PZ 0.32470 0.00000 0.20619 0.00000 0.75461 64 8D 0 0.39575 0.00000 -0.33684 0.00000 0.19533 65 8D+1 0.00000 0.21297 0.00000 0.08419 0.00000 66 8D-1 -0.29729 0.00000 0.40234 0.00000 0.16498 67 8D+2 0.21409 0.00000 0.05935 0.00000 0.29000 68 8D-2 0.00000 -0.71493 0.00000 0.19921 0.00000 69 9D 0 0.10969 0.00000 -0.24579 0.00000 -0.07009 70 9D+1 0.00000 0.17389 0.00000 -0.01857 0.00000 71 9D-1 -0.22264 0.00000 -0.16795 0.00000 -0.37871 72 9D+2 0.33098 0.00000 -0.09981 0.00000 -0.43915 73 9D-2 0.00000 -0.24812 0.00000 0.29565 0.00000 74 3 H 1S 0.06746 -0.03222 0.01860 -0.04551 0.02628 75 2S 0.00924 -0.27013 0.15596 -1.29410 0.74715 76 3S -0.58815 2.16551 -1.25026 3.27753 -1.89228 77 4S -0.04260 0.20571 -0.11877 0.39616 -0.22872 78 5PX -0.35855 0.24741 -0.48229 0.82780 -0.21102 79 5PY 0.20701 -0.48229 -0.30949 -0.21102 0.58413 80 5PZ -0.51586 0.09855 -0.05690 -0.47589 0.27476 81 6PX 0.75920 -0.13387 0.99223 -0.48766 -0.18380 82 6PY -0.43833 0.99223 1.01186 -0.18380 -0.69990 83 6PZ 1.13779 -0.61005 0.35221 0.44844 -0.25891 84 7PX 0.32451 -0.45194 0.50430 -1.12562 0.32961 85 7PY -0.18735 0.50430 0.13038 0.32961 -0.74503 86 7PZ 0.32470 0.17856 -0.10309 0.65351 -0.37730 87 8D 0 0.39575 -0.29171 0.16842 0.16916 -0.09767 88 8D+1 -0.25746 0.35499 -0.08200 0.14478 -0.03498 89 8D-1 0.14864 -0.08200 0.26031 -0.03498 0.10439 90 8D+2 -0.10704 -0.33527 -0.52136 -0.03931 0.22191 91 8D-2 0.18541 -0.13422 -0.33527 0.26731 -0.03931 92 9D 0 0.10969 -0.21286 0.12289 -0.06070 0.03504 93 9D+1 -0.19281 -0.08249 0.14802 -0.28868 0.15595 94 9D-1 0.11132 0.14802 0.08843 0.15595 -0.10860 95 9D+2 -0.16549 -0.06422 -0.21104 0.31818 0.11195 96 9D-2 0.28663 -0.13689 -0.06422 -0.25545 0.31818 97 4 H 1S 0.06746 0.03222 0.01860 0.04551 0.02628 98 2S 0.00924 0.27013 0.15596 1.29410 0.74715 99 3S -0.58815 -2.16551 -1.25026 -3.27753 -1.89228 100 4S -0.04260 -0.20571 -0.11877 -0.39616 -0.22872 101 5PX 0.35855 0.24741 0.48229 0.82780 0.21102 102 5PY 0.20701 0.48229 -0.30949 0.21102 0.58413 103 5PZ -0.51586 -0.09855 -0.05690 0.47589 0.27476 104 6PX -0.75920 -0.13387 -0.99223 -0.48766 0.18380 105 6PY -0.43833 -0.99223 1.01186 0.18380 -0.69990 106 6PZ 1.13779 0.61005 0.35221 -0.44844 -0.25891 107 7PX -0.32451 -0.45194 -0.50430 -1.12562 -0.32961 108 7PY -0.18735 -0.50430 0.13038 -0.32961 -0.74503 109 7PZ 0.32470 -0.17856 -0.10309 -0.65351 -0.37730 110 8D 0 0.39575 0.29171 0.16842 -0.16916 -0.09767 111 8D+1 0.25746 0.35499 0.08200 0.14478 0.03498 112 8D-1 0.14864 0.08200 0.26031 0.03498 0.10439 113 8D+2 -0.10704 0.33527 -0.52136 0.03931 0.22191 114 8D-2 -0.18541 -0.13422 0.33527 0.26731 0.03931 115 9D 0 0.10969 0.21286 0.12289 0.06070 0.03504 116 9D+1 0.19281 -0.08249 -0.14802 -0.28868 -0.15595 117 9D-1 0.11132 -0.14802 0.08843 -0.15595 -0.10860 118 9D+2 -0.16549 0.06422 -0.21104 -0.31818 0.11195 119 9D-2 -0.28663 -0.13689 0.06422 -0.25545 -0.31818 116 117 118 119 (A1)--V (E)--V (E)--V (A1)--V Eigenvalues -- 4.86221 5.33968 5.33968 8.41415 1 1 P 1S 0.00198 0.00000 0.00000 0.27121 2 2S -1.08350 0.00000 0.00000 5.54542 3 3S -1.55373 0.00000 0.00000 14.70633 4 4S 0.75424 0.00000 0.00000 -5.30181 5 5S 17.94817 0.00000 0.00000 -1.25249 6 6S 3.44607 0.00000 0.00000 -1.74358 7 7PX 0.00000 -0.20138 0.00000 0.00000 8 7PY 0.00000 0.00000 -0.20138 0.00000 9 7PZ 0.01161 0.00000 0.00000 -0.28150 10 8PX 0.00000 -5.92422 0.00000 0.00000 11 8PY 0.00000 0.00000 -5.92422 0.00000 12 8PZ -1.83034 0.00000 0.00000 -6.61767 13 9PX 0.00000 0.52654 0.00000 0.00000 14 9PY 0.00000 0.00000 0.52654 0.00000 15 9PZ -0.08306 0.00000 0.00000 0.64293 16 10PX 0.00000 -7.37912 0.00000 0.00000 17 10PY 0.00000 0.00000 -7.37912 0.00000 18 10PZ -6.52437 0.00000 0.00000 3.06529 19 11PX 0.00000 -0.37246 0.00000 0.00000 20 11PY 0.00000 0.00000 -0.37246 0.00000 21 11PZ -0.31302 0.00000 0.00000 0.30048 22 12D 0 -0.29112 0.00000 0.00000 -0.09159 23 12D+1 0.00000 3.91958 0.00000 0.00000 24 12D-1 0.00000 0.00000 3.91958 0.00000 25 12D+2 0.00000 0.00000 2.49406 0.00000 26 12D-2 0.00000 2.49406 0.00000 0.00000 27 13D 0 0.02257 0.00000 0.00000 -0.14529 28 13D+1 0.00000 1.08601 0.00000 0.00000 29 13D-1 0.00000 0.00000 1.08601 0.00000 30 13D+2 0.00000 0.00000 0.82733 0.00000 31 13D-2 0.00000 0.82733 0.00000 0.00000 32 14D 0 0.13739 0.00000 0.00000 -0.50696 33 14D+1 0.00000 1.49353 0.00000 0.00000 34 14D-1 0.00000 0.00000 1.49353 0.00000 35 14D+2 0.00000 0.00000 0.76088 0.00000 36 14D-2 0.00000 0.76088 0.00000 0.00000 37 15F 0 0.12614 0.00000 0.00000 0.84792 38 15F+1 0.00000 -0.44088 0.00000 0.00000 39 15F-1 0.00000 0.00000 -0.44088 0.00000 40 15F+2 0.00000 0.00000 -0.86626 0.00000 41 15F-2 0.00000 -0.86626 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.11788 0.00000 0.00000 -0.94083 44 16F 0 0.46558 0.00000 0.00000 -0.30029 45 16F+1 0.00000 -0.59050 0.00000 0.00000 46 16F-1 0.00000 0.00000 -0.59050 0.00000 47 16F+2 0.00000 0.00000 -0.64184 0.00000 48 16F-2 0.00000 -0.64184 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.65162 0.00000 0.00000 0.36419 51 2 H 1S 0.56090 0.00000 -1.01748 0.48050 52 2S -2.56768 0.00000 6.96316 -3.28164 53 3S -6.05233 0.00000 9.26769 0.38506 54 4S -0.33395 0.00000 0.59878 0.11891 55 5PX 0.00000 0.02788 0.00000 0.00000 56 5PY -0.34494 0.00000 0.47802 -0.13698 57 5PZ 0.38847 0.00000 -0.14195 0.07068 58 6PX 0.00000 0.17778 0.00000 0.00000 59 6PY 1.28443 0.00000 -3.80924 2.68537 60 6PZ -0.93905 0.00000 2.02762 -1.61844 61 7PX 0.00000 0.33508 0.00000 0.00000 62 7PY 1.14463 0.00000 -1.90567 0.48353 63 7PZ -0.54391 0.00000 1.16371 -0.87681 64 8D 0 0.18208 0.00000 -0.12009 0.03958 65 8D+1 0.00000 -0.03460 0.00000 0.00000 66 8D-1 0.37187 0.00000 -0.89566 0.40285 67 8D+2 0.39698 0.00000 -0.74880 0.33334 68 8D-2 0.00000 -0.22990 0.00000 0.00000 69 9D 0 -0.13680 0.00000 -0.09735 0.08350 70 9D+1 0.00000 -0.14483 0.00000 0.00000 71 9D-1 -0.06276 0.00000 -0.33329 0.90537 72 9D+2 -0.08826 0.00000 -0.25326 0.68034 73 9D-2 0.00000 -0.07701 0.00000 0.00000 74 3 H 1S 0.56090 -0.88117 0.50874 0.48050 75 2S -2.56768 6.03027 -3.48158 -3.28164 76 3S -6.05233 8.02605 -4.63384 0.38506 77 4S -0.33395 0.51856 -0.29939 0.11891 78 5PX -0.29872 0.36549 -0.19492 -0.11863 79 5PY 0.17247 -0.19492 0.14042 0.06849 80 5PZ 0.38847 -0.12293 0.07097 0.07068 81 6PX 1.11235 -2.81248 1.72643 2.32560 82 6PY -0.64221 1.72643 -0.81897 -1.34268 83 6PZ -0.93905 1.75597 -1.01381 -1.61844 84 7PX 0.99128 -1.34549 0.97027 0.41875 85 7PY -0.57231 0.97027 -0.22511 -0.24177 86 7PZ -0.54391 1.00781 -0.58186 -0.87681 87 8D 0 0.18208 -0.10400 0.06005 0.03958 88 8D+1 0.32205 -0.68039 0.37285 0.34888 89 8D-1 -0.18594 0.37285 -0.24986 -0.20142 90 8D+2 -0.19849 0.22469 -0.35962 -0.16667 91 8D-2 0.34379 -0.61907 0.22469 0.28868 92 9D 0 -0.13680 -0.08431 0.04868 0.08350 93 9D+1 -0.05435 -0.28618 0.08161 0.78407 94 9D-1 0.03138 0.08161 -0.19194 -0.45268 95 9D+2 0.04413 0.07632 -0.12107 -0.34017 96 9D-2 -0.07643 -0.20920 0.07632 0.58919 97 4 H 1S 0.56090 0.88117 0.50874 0.48050 98 2S -2.56768 -6.03027 -3.48158 -3.28164 99 3S -6.05233 -8.02605 -4.63384 0.38506 100 4S -0.33395 -0.51856 -0.29939 0.11891 101 5PX 0.29872 0.36549 0.19492 0.11863 102 5PY 0.17247 0.19492 0.14042 0.06849 103 5PZ 0.38847 0.12293 0.07097 0.07068 104 6PX -1.11235 -2.81248 -1.72643 -2.32560 105 6PY -0.64221 -1.72643 -0.81897 -1.34268 106 6PZ -0.93905 -1.75597 -1.01381 -1.61844 107 7PX -0.99128 -1.34549 -0.97027 -0.41875 108 7PY -0.57231 -0.97027 -0.22511 -0.24177 109 7PZ -0.54391 -1.00781 -0.58186 -0.87681 110 8D 0 0.18208 0.10400 0.06005 0.03958 111 8D+1 -0.32205 -0.68039 -0.37285 -0.34888 112 8D-1 -0.18594 -0.37285 -0.24986 -0.20142 113 8D+2 -0.19849 -0.22469 -0.35962 -0.16667 114 8D-2 -0.34379 -0.61907 -0.22469 -0.28868 115 9D 0 -0.13680 0.08431 0.04868 0.08350 116 9D+1 0.05435 -0.28618 -0.08161 -0.78407 117 9D-1 0.03138 -0.08161 -0.19194 -0.45268 118 9D+2 0.04413 -0.07632 -0.12107 -0.34017 119 9D-2 0.07643 -0.20920 -0.07632 -0.58919 Alpha Density Matrix: 1 2 3 4 5 1 1 P 1S 1.08114 2 2S -0.29216 1.05600 3 3S 0.04182 -0.15622 0.30378 4 4S -0.01375 0.04574 0.03370 0.00789 5 5S 0.01862 -0.07507 0.17609 0.02188 0.13024 6 6S -0.00125 0.00427 -0.00796 -0.00054 0.00220 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ -0.00335 0.01431 -0.02701 -0.00737 -0.04430 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00804 -0.03237 0.07644 0.01226 0.11291 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00282 -0.01055 0.02125 0.00314 0.03295 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.01069 -0.04026 0.08378 0.01163 0.09301 19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 20 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 21 11PZ 0.00096 -0.00369 0.00795 0.00104 0.00740 22 12D 0 -0.00004 0.00026 -0.00041 -0.00006 -0.00040 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 -0.00011 0.00039 -0.00154 -0.00019 -0.00077 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 -0.00026 0.00096 -0.00197 -0.00030 -0.00271 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00025 -0.00092 0.00191 0.00013 -0.00064 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.00035 0.00131 -0.00281 -0.00025 -0.00016 44 16F 0 -0.00014 0.00048 -0.00116 -0.00014 -0.00071 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00010 -0.00035 0.00079 0.00008 0.00019 51 2 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 52 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 53 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 54 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 56 5PY -0.00030 0.00114 -0.00232 -0.00021 -0.00026 57 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 6PY -0.00040 0.00166 -0.00394 -0.00037 -0.00042 60 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 61 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 7PY -0.00032 0.00099 -0.00081 -0.00009 -0.00118 63 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 64 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00014 0.00049 -0.00098 -0.00010 -0.00033 67 8D+2 -0.00008 0.00027 -0.00059 -0.00005 0.00004 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00005 -0.00014 0.00042 0.00003 -0.00012 72 9D+2 0.00005 -0.00014 0.00027 0.00001 -0.00022 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 75 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 76 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 77 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 78 5PX -0.00026 0.00099 -0.00201 -0.00018 -0.00023 79 5PY 0.00015 -0.00057 0.00116 0.00010 0.00013 80 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 81 6PX -0.00034 0.00143 -0.00341 -0.00032 -0.00036 82 6PY 0.00020 -0.00083 0.00197 0.00019 0.00021 83 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 84 7PX -0.00027 0.00086 -0.00070 -0.00008 -0.00102 85 7PY 0.00016 -0.00050 0.00041 0.00004 0.00059 86 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 87 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 88 8D+1 -0.00012 0.00043 -0.00085 -0.00008 -0.00029 89 8D-1 0.00007 -0.00025 0.00049 0.00005 0.00017 90 8D+2 0.00004 -0.00014 0.00030 0.00002 -0.00002 91 8D-2 -0.00007 0.00023 -0.00051 -0.00004 0.00003 92 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 93 9D+1 0.00004 -0.00012 0.00036 0.00003 -0.00010 94 9D-1 -0.00002 0.00007 -0.00021 -0.00002 0.00006 95 9D+2 -0.00003 0.00007 -0.00013 -0.00001 0.00011 96 9D-2 0.00005 -0.00012 0.00023 0.00001 -0.00019 97 4 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 98 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 99 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 100 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 101 5PX 0.00026 -0.00099 0.00201 0.00018 0.00023 102 5PY 0.00015 -0.00057 0.00116 0.00010 0.00013 103 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 104 6PX 0.00034 -0.00143 0.00341 0.00032 0.00036 105 6PY 0.00020 -0.00083 0.00197 0.00019 0.00021 106 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 107 7PX 0.00027 -0.00086 0.00070 0.00008 0.00102 108 7PY 0.00016 -0.00050 0.00041 0.00004 0.00059 109 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 110 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 111 8D+1 0.00012 -0.00043 0.00085 0.00008 0.00029 112 8D-1 0.00007 -0.00025 0.00049 0.00005 0.00017 113 8D+2 0.00004 -0.00014 0.00030 0.00002 -0.00002 114 8D-2 0.00007 -0.00023 0.00051 0.00004 -0.00003 115 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 116 9D+1 -0.00004 0.00012 -0.00036 -0.00003 0.00010 117 9D-1 -0.00002 0.00007 -0.00021 -0.00002 0.00006 118 9D+2 -0.00003 0.00007 -0.00013 -0.00001 0.00011 119 9D-2 -0.00005 0.00012 -0.00023 -0.00001 0.00019 6 7 8 9 10 6 6S 0.00187 7 7PX 0.00000 0.94887 8 7PY 0.00000 0.00000 0.94887 9 7PZ -0.00779 0.00000 0.00000 0.96239 10 8PX 0.00000 -0.06646 0.00000 0.00000 0.13254 11 8PY 0.00000 0.00000 -0.06646 0.00000 0.00000 12 8PZ 0.01473 0.00000 0.00000 -0.08992 0.00000 13 9PX 0.00000 0.05981 0.00000 0.00000 0.03511 14 9PY 0.00000 0.00000 0.05981 0.00000 0.00000 15 9PZ 0.00436 0.00000 0.00000 0.04871 0.00000 16 10PX 0.00000 -0.03249 0.00000 0.00000 0.07039 17 10PY 0.00000 0.00000 -0.03249 0.00000 0.00000 18 10PZ 0.00864 0.00000 0.00000 -0.05729 0.00000 19 11PX 0.00000 -0.00028 0.00000 0.00000 -0.00013 20 11PY 0.00000 0.00000 -0.00028 0.00000 0.00000 21 11PZ 0.00047 0.00000 0.00000 -0.00395 0.00000 22 12D 0 -0.00003 0.00000 0.00000 0.00240 0.00000 23 12D+1 0.00000 0.01487 0.00000 0.00000 -0.02511 24 12D-1 0.00000 0.00000 0.01487 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00934 0.00000 0.00000 26 12D-2 0.00000 0.00934 0.00000 0.00000 -0.01883 27 13D 0 0.00007 0.00000 0.00000 -0.00098 0.00000 28 13D+1 0.00000 0.00809 0.00000 0.00000 -0.02046 29 13D-1 0.00000 0.00000 0.00809 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00686 0.00000 0.00000 31 13D-2 0.00000 0.00686 0.00000 0.00000 -0.01564 32 14D 0 -0.00033 0.00000 0.00000 0.00146 0.00000 33 14D+1 0.00000 0.00386 0.00000 0.00000 -0.00816 34 14D-1 0.00000 0.00000 0.00386 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00118 0.00000 0.00000 36 14D-2 0.00000 0.00118 0.00000 0.00000 -0.00201 37 15F 0 -0.00048 0.00000 0.00000 0.00154 0.00000 38 15F+1 0.00000 -0.00102 0.00000 0.00000 0.00188 39 15F-1 0.00000 0.00000 -0.00102 0.00000 0.00000 40 15F+2 0.00000 0.00000 -0.00305 0.00000 0.00000 41 15F-2 0.00000 -0.00305 0.00000 0.00000 0.00688 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00043 0.00000 0.00000 -0.00122 0.00000 44 16F 0 0.00002 0.00000 0.00000 0.00011 0.00000 45 16F+1 0.00000 -0.00147 0.00000 0.00000 0.00177 46 16F-1 0.00000 0.00000 -0.00147 0.00000 0.00000 47 16F+2 0.00000 0.00000 -0.00116 0.00000 0.00000 48 16F-2 0.00000 -0.00116 0.00000 0.00000 0.00122 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.00009 0.00000 0.00000 0.00005 0.00000 51 2 H 1S -0.00409 0.00000 -0.02511 0.01367 0.00000 52 2S -0.00685 0.00000 -0.03372 0.02352 0.00000 53 3S -0.00312 0.00000 -0.01573 0.01336 0.00000 54 4S -0.00017 0.00000 -0.00063 0.00055 0.00000 55 5PX 0.00000 -0.00055 0.00000 0.00000 0.00108 56 5PY 0.00033 0.00000 0.00118 -0.00107 0.00000 57 5PZ -0.00007 0.00000 -0.00103 -0.00017 0.00000 58 6PX 0.00000 -0.00046 0.00000 0.00000 0.00292 59 6PY 0.00056 0.00000 -0.00158 -0.00097 0.00000 60 6PZ 0.00001 0.00000 -0.00036 -0.00078 0.00000 61 7PX 0.00000 0.00204 0.00000 0.00000 -0.00396 62 7PY -0.00015 0.00000 -0.00005 0.00108 0.00000 63 7PZ -0.00004 0.00000 0.00038 0.00043 0.00000 64 8D 0 0.00006 0.00000 -0.00013 -0.00031 0.00000 65 8D+1 0.00000 -0.00016 0.00000 0.00000 0.00031 66 8D-1 0.00008 0.00000 0.00035 -0.00020 0.00000 67 8D+2 0.00011 0.00000 0.00009 -0.00042 0.00000 68 8D-2 0.00000 0.00026 0.00000 0.00000 -0.00058 69 9D 0 0.00000 0.00000 0.00022 0.00022 0.00000 70 9D+1 0.00000 -0.00028 0.00000 0.00000 0.00070 71 9D-1 -0.00010 0.00000 -0.00038 0.00006 0.00000 72 9D+2 -0.00010 0.00000 -0.00009 0.00067 0.00000 73 9D-2 0.00000 -0.00099 0.00000 0.00000 0.00062 74 3 H 1S -0.00409 -0.02174 0.01255 0.01367 0.04926 75 2S -0.00685 -0.02920 0.01686 0.02352 0.07306 76 3S -0.00312 -0.01363 0.00787 0.01336 0.03201 77 4S -0.00017 -0.00054 0.00031 0.00055 0.00182 78 5PX 0.00028 0.00075 -0.00075 -0.00093 -0.00167 79 5PY -0.00016 -0.00075 -0.00012 0.00053 0.00159 80 5PZ -0.00007 -0.00089 0.00051 -0.00017 0.00200 81 6PX 0.00048 -0.00130 0.00048 -0.00084 0.00186 82 6PY -0.00028 0.00048 -0.00074 0.00048 0.00061 83 6PZ 0.00001 -0.00031 0.00018 -0.00078 0.00167 84 7PX -0.00013 0.00047 0.00090 0.00094 -0.00084 85 7PY 0.00008 0.00090 0.00152 -0.00054 -0.00180 86 7PZ -0.00004 0.00033 -0.00019 0.00043 -0.00082 87 8D 0 0.00006 -0.00011 0.00006 -0.00031 0.00025 88 8D+1 0.00007 0.00022 -0.00022 -0.00017 -0.00023 89 8D-1 -0.00004 -0.00022 -0.00004 0.00010 0.00031 90 8D+2 -0.00005 0.00007 0.00022 0.00021 -0.00028 91 8D-2 0.00009 0.00013 0.00007 -0.00037 -0.00010 92 9D 0 0.00000 0.00019 -0.00011 0.00022 -0.00015 93 9D+1 -0.00009 -0.00036 0.00005 0.00005 0.00096 94 9D-1 0.00005 0.00005 -0.00030 -0.00003 -0.00015 95 9D+2 0.00005 -0.00039 -0.00077 -0.00034 -0.00009 96 9D-2 -0.00009 -0.00032 -0.00039 0.00058 0.00078 97 4 H 1S -0.00409 0.02174 0.01255 0.01367 -0.04926 98 2S -0.00685 0.02920 0.01686 0.02352 -0.07306 99 3S -0.00312 0.01363 0.00787 0.01336 -0.03201 100 4S -0.00017 0.00054 0.00031 0.00055 -0.00182 101 5PX -0.00028 0.00075 0.00075 0.00093 -0.00167 102 5PY -0.00016 0.00075 -0.00012 0.00053 -0.00159 103 5PZ -0.00007 0.00089 0.00051 -0.00017 -0.00200 104 6PX -0.00048 -0.00130 -0.00048 0.00084 0.00186 105 6PY -0.00028 -0.00048 -0.00074 0.00048 -0.00061 106 6PZ 0.00001 0.00031 0.00018 -0.00078 -0.00167 107 7PX 0.00013 0.00047 -0.00090 -0.00094 -0.00084 108 7PY 0.00008 -0.00090 0.00152 -0.00054 0.00180 109 7PZ -0.00004 -0.00033 -0.00019 0.00043 0.00082 110 8D 0 0.00006 0.00011 0.00006 -0.00031 -0.00025 111 8D+1 -0.00007 0.00022 0.00022 0.00017 -0.00023 112 8D-1 -0.00004 0.00022 -0.00004 0.00010 -0.00031 113 8D+2 -0.00005 -0.00007 0.00022 0.00021 0.00028 114 8D-2 -0.00009 0.00013 -0.00007 0.00037 -0.00010 115 9D 0 0.00000 -0.00019 -0.00011 0.00022 0.00015 116 9D+1 0.00009 -0.00036 -0.00005 -0.00005 0.00096 117 9D-1 0.00005 -0.00005 -0.00030 -0.00003 0.00015 118 9D+2 0.00005 0.00039 -0.00077 -0.00034 0.00009 119 9D-2 0.00009 -0.00032 0.00039 -0.00058 0.00078 11 12 13 14 15 11 8PY 0.13254 12 8PZ 0.00000 0.18740 13 9PX 0.00000 0.00000 0.01584 14 9PY 0.03511 0.00000 0.00000 0.01584 15 9PZ 0.00000 0.05494 0.00000 0.00000 0.02225 16 10PX 0.00000 0.00000 0.01888 0.00000 0.00000 17 10PY 0.07039 0.00000 0.00000 0.01888 0.00000 18 10PZ 0.00000 0.13004 0.00000 0.00000 0.03832 19 11PX 0.00000 0.00000 -0.00006 0.00000 0.00000 20 11PY -0.00013 0.00000 0.00000 -0.00006 0.00000 21 11PZ 0.00000 0.00885 0.00000 0.00000 0.00259 22 12D 0 0.00000 -0.00053 0.00000 0.00000 0.00002 23 12D+1 0.00000 0.00000 -0.00646 0.00000 0.00000 24 12D-1 -0.02511 0.00000 0.00000 -0.00646 0.00000 25 12D+2 -0.01883 0.00000 0.00000 -0.00500 0.00000 26 12D-2 0.00000 0.00000 -0.00500 0.00000 0.00000 27 13D 0 0.00000 -0.00005 0.00000 0.00000 -0.00009 28 13D+1 0.00000 0.00000 -0.00560 0.00000 0.00000 29 13D-1 -0.02046 0.00000 0.00000 -0.00560 0.00000 30 13D+2 -0.01564 0.00000 0.00000 -0.00423 0.00000 31 13D-2 0.00000 0.00000 -0.00423 0.00000 0.00000 32 14D 0 0.00000 -0.00433 0.00000 0.00000 -0.00132 33 14D+1 0.00000 0.00000 -0.00218 0.00000 0.00000 34 14D-1 -0.00816 0.00000 0.00000 -0.00218 0.00000 35 14D+2 -0.00201 0.00000 0.00000 -0.00052 0.00000 36 14D-2 0.00000 0.00000 -0.00052 0.00000 0.00000 37 15F 0 0.00000 -0.00381 0.00000 0.00000 -0.00116 38 15F+1 0.00000 0.00000 0.00049 0.00000 0.00000 39 15F-1 0.00188 0.00000 0.00000 0.00049 0.00000 40 15F+2 0.00688 0.00000 0.00000 0.00186 0.00000 41 15F-2 0.00000 0.00000 0.00186 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00289 0.00000 0.00000 0.00089 44 16F 0 0.00000 -0.00036 0.00000 0.00000 -0.00011 45 16F+1 0.00000 0.00000 0.00042 0.00000 0.00000 46 16F-1 0.00177 0.00000 0.00000 0.00042 0.00000 47 16F+2 0.00122 0.00000 0.00000 0.00028 0.00000 48 16F-2 0.00000 0.00000 0.00028 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 -0.00047 0.00000 0.00000 -0.00016 51 2 H 1S 0.05688 -0.02895 0.00000 0.01535 -0.00876 52 2S 0.08436 -0.05183 0.00000 0.02307 -0.01570 53 3S 0.03696 -0.02958 0.00000 0.01003 -0.00885 54 4S 0.00210 -0.00093 0.00000 0.00059 -0.00028 55 5PX 0.00000 0.00000 0.00029 0.00000 0.00000 56 5PY -0.00259 0.00208 0.00000 -0.00070 0.00063 57 5PZ 0.00231 0.00040 0.00000 0.00062 0.00011 58 6PX 0.00000 0.00000 0.00086 0.00000 0.00000 59 6PY 0.00151 0.00359 0.00000 0.00033 0.00115 60 6PZ 0.00193 0.00281 0.00000 0.00056 0.00084 61 7PX 0.00000 0.00000 -0.00105 0.00000 0.00000 62 7PY 0.00020 -0.00197 0.00000 0.00006 -0.00057 63 7PZ -0.00094 -0.00120 0.00000 -0.00026 -0.00036 64 8D 0 0.00029 0.00060 0.00000 0.00008 0.00017 65 8D+1 0.00000 0.00000 0.00008 0.00000 0.00000 66 8D-1 -0.00040 0.00033 0.00000 -0.00009 0.00010 67 8D+2 0.00006 0.00079 0.00000 0.00003 0.00023 68 8D-2 0.00000 0.00000 -0.00016 0.00000 0.00000 69 9D 0 -0.00017 0.00017 0.00000 -0.00003 0.00007 70 9D+1 0.00000 0.00000 0.00019 0.00000 0.00000 71 9D-1 0.00105 -0.00078 0.00000 0.00029 -0.00026 72 9D+2 0.00083 -0.00087 0.00000 0.00025 -0.00024 73 9D-2 0.00000 0.00000 0.00011 0.00000 0.00000 74 3 H 1S -0.02844 -0.02895 0.01330 -0.00768 -0.00876 75 2S -0.04218 -0.05183 0.01998 -0.01153 -0.01570 76 3S -0.01848 -0.02958 0.00868 -0.00501 -0.00885 77 4S -0.00105 -0.00093 0.00051 -0.00030 -0.00028 78 5PX 0.00159 0.00180 -0.00045 0.00042 0.00054 79 5PY 0.00016 -0.00104 0.00042 0.00004 -0.00031 80 5PZ -0.00116 0.00040 0.00054 -0.00031 0.00011 81 6PX 0.00061 0.00311 0.00046 0.00023 0.00100 82 6PY 0.00257 -0.00180 0.00023 0.00073 -0.00058 83 6PZ -0.00097 0.00281 0.00049 -0.00028 0.00084 84 7PX -0.00180 -0.00171 -0.00022 -0.00048 -0.00049 85 7PY -0.00292 0.00099 -0.00048 -0.00077 0.00028 86 7PZ 0.00047 -0.00120 -0.00022 0.00013 -0.00036 87 8D 0 -0.00015 0.00060 0.00007 -0.00004 0.00017 88 8D+1 0.00031 0.00029 -0.00005 0.00008 0.00009 89 8D-1 0.00013 -0.00017 0.00008 0.00004 -0.00005 90 8D+2 -0.00042 -0.00039 -0.00008 -0.00011 -0.00012 91 8D-2 -0.00028 0.00068 -0.00002 -0.00008 0.00020 92 9D 0 0.00009 0.00017 -0.00003 0.00002 0.00007 93 9D+1 -0.00015 -0.00067 0.00027 -0.00004 -0.00022 94 9D-1 0.00078 0.00039 -0.00004 0.00022 0.00013 95 9D+2 0.00067 0.00043 -0.00006 0.00014 0.00012 96 9D-2 -0.00009 -0.00075 0.00021 -0.00006 -0.00021 97 4 H 1S -0.02844 -0.02895 -0.01330 -0.00768 -0.00876 98 2S -0.04218 -0.05183 -0.01998 -0.01153 -0.01570 99 3S -0.01848 -0.02958 -0.00868 -0.00501 -0.00885 100 4S -0.00105 -0.00093 -0.00051 -0.00030 -0.00028 101 5PX -0.00159 -0.00180 -0.00045 -0.00042 -0.00054 102 5PY 0.00016 -0.00104 -0.00042 0.00004 -0.00031 103 5PZ -0.00116 0.00040 -0.00054 -0.00031 0.00011 104 6PX -0.00061 -0.00311 0.00046 -0.00023 -0.00100 105 6PY 0.00257 -0.00180 -0.00023 0.00073 -0.00058 106 6PZ -0.00097 0.00281 -0.00049 -0.00028 0.00084 107 7PX 0.00180 0.00171 -0.00022 0.00048 0.00049 108 7PY -0.00292 0.00099 0.00048 -0.00077 0.00028 109 7PZ 0.00047 -0.00120 0.00022 0.00013 -0.00036 110 8D 0 -0.00015 0.00060 -0.00007 -0.00004 0.00017 111 8D+1 -0.00031 -0.00029 -0.00005 -0.00008 -0.00009 112 8D-1 0.00013 -0.00017 -0.00008 0.00004 -0.00005 113 8D+2 -0.00042 -0.00039 0.00008 -0.00011 -0.00012 114 8D-2 0.00028 -0.00068 -0.00002 0.00008 -0.00020 115 9D 0 0.00009 0.00017 0.00003 0.00002 0.00007 116 9D+1 0.00015 0.00067 0.00027 0.00004 0.00022 117 9D-1 0.00078 0.00039 0.00004 0.00022 0.00013 118 9D+2 0.00067 0.00043 0.00006 0.00014 0.00012 119 9D-2 0.00009 0.00075 0.00021 0.00006 0.00021 16 17 18 19 20 16 10PX 0.03739 17 10PY 0.00000 0.03739 18 10PZ 0.00000 0.00000 0.09372 19 11PX -0.00007 0.00000 0.00000 0.00000 20 11PY 0.00000 -0.00007 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00663 0.00000 0.00000 22 12D 0 0.00000 0.00000 -0.00038 0.00000 0.00000 23 12D+1 -0.01333 0.00000 0.00000 0.00002 0.00000 24 12D-1 0.00000 -0.01333 0.00000 0.00000 0.00002 25 12D+2 0.00000 -0.01000 0.00000 0.00000 0.00002 26 12D-2 -0.01000 0.00000 0.00000 0.00002 0.00000 27 13D 0 0.00000 0.00000 -0.00021 0.00000 0.00000 28 13D+1 -0.01087 0.00000 0.00000 0.00002 0.00000 29 13D-1 0.00000 -0.01087 0.00000 0.00000 0.00002 30 13D+2 0.00000 -0.00831 0.00000 0.00000 0.00002 31 13D-2 -0.00831 0.00000 0.00000 0.00002 0.00000 32 14D 0 0.00000 0.00000 -0.00303 0.00000 0.00000 33 14D+1 -0.00433 0.00000 0.00000 0.00001 0.00000 34 14D-1 0.00000 -0.00433 0.00000 0.00000 0.00001 35 14D+2 0.00000 -0.00107 0.00000 0.00000 0.00000 36 14D-2 -0.00107 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 -0.00225 0.00000 0.00000 38 15F+1 0.00100 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00100 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00365 0.00000 0.00000 -0.00001 41 15F-2 0.00365 0.00000 0.00000 -0.00001 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00156 0.00000 0.00000 44 16F 0 0.00000 0.00000 -0.00037 0.00000 0.00000 45 16F+1 0.00094 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00094 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00064 0.00000 0.00000 0.00000 48 16F-2 0.00064 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.00021 0.00000 0.00000 51 2 H 1S 0.00000 0.03022 -0.01610 0.00000 -0.00006 52 2S 0.00000 0.04483 -0.02988 0.00000 -0.00009 53 3S 0.00000 0.01964 -0.01877 0.00000 -0.00004 54 4S 0.00000 0.00111 -0.00044 0.00000 0.00000 55 5PX 0.00057 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 -0.00138 0.00109 0.00000 0.00000 57 5PZ 0.00000 0.00123 0.00051 0.00000 0.00000 58 6PX 0.00155 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00080 0.00189 0.00000 0.00000 60 6PZ 0.00000 0.00103 0.00242 0.00000 0.00000 61 7PX -0.00210 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00010 -0.00137 0.00000 0.00000 63 7PZ 0.00000 -0.00050 -0.00095 0.00000 0.00000 64 8D 0 0.00000 0.00016 0.00039 0.00000 0.00000 65 8D+1 0.00016 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00021 0.00010 0.00000 0.00000 67 8D+2 0.00000 0.00003 0.00044 0.00000 0.00000 68 8D-2 -0.00031 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 -0.00009 0.00015 0.00000 0.00000 70 9D+1 0.00037 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00056 -0.00046 0.00000 0.00000 72 9D+2 0.00000 0.00044 -0.00053 0.00000 0.00000 73 9D-2 0.00033 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.02617 -0.01511 -0.01610 -0.00005 0.00003 75 2S 0.03882 -0.02241 -0.02988 -0.00008 0.00004 76 3S 0.01701 -0.00982 -0.01877 -0.00003 0.00002 77 4S 0.00097 -0.00056 -0.00044 0.00000 0.00000 78 5PX -0.00089 0.00084 0.00094 0.00000 0.00000 79 5PY 0.00084 0.00009 -0.00054 0.00000 0.00000 80 5PZ 0.00107 -0.00061 0.00051 0.00000 0.00000 81 6PX 0.00099 0.00033 0.00164 0.00000 0.00000 82 6PY 0.00033 0.00137 -0.00094 0.00000 0.00000 83 6PZ 0.00089 -0.00051 0.00242 0.00000 0.00000 84 7PX -0.00045 -0.00096 -0.00119 0.00000 0.00000 85 7PY -0.00096 -0.00155 0.00068 0.00000 0.00000 86 7PZ -0.00043 0.00025 -0.00095 0.00000 0.00000 87 8D 0 0.00014 -0.00008 0.00039 0.00000 0.00000 88 8D+1 -0.00012 0.00016 0.00009 0.00000 0.00000 89 8D-1 0.00016 0.00007 -0.00005 0.00000 0.00000 90 8D+2 -0.00015 -0.00022 -0.00022 0.00000 0.00000 91 8D-2 -0.00005 -0.00015 0.00038 0.00000 0.00000 92 9D 0 -0.00008 0.00005 0.00015 0.00000 0.00000 93 9D+1 0.00051 -0.00008 -0.00040 0.00000 0.00000 94 9D-1 -0.00008 0.00042 0.00023 0.00000 0.00000 95 9D+2 -0.00005 0.00036 0.00026 0.00000 0.00000 96 9D-2 0.00041 -0.00005 -0.00046 0.00000 0.00000 97 4 H 1S -0.02617 -0.01511 -0.01610 0.00005 0.00003 98 2S -0.03882 -0.02241 -0.02988 0.00008 0.00004 99 3S -0.01701 -0.00982 -0.01877 0.00003 0.00002 100 4S -0.00097 -0.00056 -0.00044 0.00000 0.00000 101 5PX -0.00089 -0.00084 -0.00094 0.00000 0.00000 102 5PY -0.00084 0.00009 -0.00054 0.00000 0.00000 103 5PZ -0.00107 -0.00061 0.00051 0.00000 0.00000 104 6PX 0.00099 -0.00033 -0.00164 0.00000 0.00000 105 6PY -0.00033 0.00137 -0.00094 0.00000 0.00000 106 6PZ -0.00089 -0.00051 0.00242 0.00000 0.00000 107 7PX -0.00045 0.00096 0.00119 0.00000 0.00000 108 7PY 0.00096 -0.00155 0.00068 0.00000 0.00000 109 7PZ 0.00043 0.00025 -0.00095 0.00000 0.00000 110 8D 0 -0.00014 -0.00008 0.00039 0.00000 0.00000 111 8D+1 -0.00012 -0.00016 -0.00009 0.00000 0.00000 112 8D-1 -0.00016 0.00007 -0.00005 0.00000 0.00000 113 8D+2 0.00015 -0.00022 -0.00022 0.00000 0.00000 114 8D-2 -0.00005 0.00015 -0.00038 0.00000 0.00000 115 9D 0 0.00008 0.00005 0.00015 0.00000 0.00000 116 9D+1 0.00051 0.00008 0.00040 0.00000 0.00000 117 9D-1 0.00008 0.00042 0.00023 0.00000 0.00000 118 9D+2 0.00005 0.00036 0.00026 0.00000 0.00000 119 9D-2 0.00041 0.00005 0.00046 0.00000 0.00000 21 22 23 24 25 21 11PZ 0.00049 22 12D 0 -0.00003 0.00001 23 12D+1 0.00000 0.00000 0.00476 24 12D-1 0.00000 0.00000 0.00000 0.00476 25 12D+2 0.00000 0.00000 0.00000 0.00357 0.00268 26 12D-2 0.00000 0.00000 0.00357 0.00000 0.00000 27 13D 0 -0.00003 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00387 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00387 0.00291 30 13D+2 0.00000 0.00000 0.00000 0.00296 0.00222 31 13D-2 0.00000 0.00000 0.00296 0.00000 0.00000 32 14D 0 -0.00021 0.00001 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00155 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00155 0.00116 35 14D+2 0.00000 0.00000 0.00000 0.00038 0.00029 36 14D-2 0.00000 0.00000 0.00038 0.00000 0.00000 37 15F 0 -0.00012 0.00001 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 -0.00036 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00036 -0.00027 40 15F+2 0.00000 0.00000 0.00000 -0.00130 -0.00098 41 15F-2 0.00000 0.00000 -0.00130 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00007 0.00000 0.00000 0.00000 0.00000 44 16F 0 -0.00003 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -0.00034 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00034 -0.00025 47 16F+2 0.00000 0.00000 0.00000 -0.00023 -0.00017 48 16F-2 0.00000 0.00000 -0.00023 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.00001 0.00000 0.00000 0.00000 0.00000 51 2 H 1S -0.00080 0.00005 0.00000 -0.01077 -0.00808 52 2S -0.00159 0.00010 0.00000 -0.01596 -0.01199 53 3S -0.00115 0.00007 0.00000 -0.00700 -0.00525 54 4S -0.00001 0.00000 0.00000 -0.00040 -0.00030 55 5PX 0.00000 0.00000 -0.00020 0.00000 0.00000 56 5PY 0.00005 0.00000 0.00000 0.00049 0.00037 57 5PZ 0.00005 0.00000 0.00000 -0.00044 -0.00033 58 6PX 0.00000 0.00000 -0.00055 0.00000 0.00000 59 6PY 0.00008 0.00000 0.00000 -0.00029 -0.00021 60 6PZ 0.00020 -0.00001 0.00000 -0.00036 -0.00027 61 7PX 0.00000 0.00000 0.00075 0.00000 0.00000 62 7PY -0.00009 0.00001 0.00000 -0.00004 -0.00003 63 7PZ -0.00007 0.00000 0.00000 0.00018 0.00013 64 8D 0 0.00003 0.00000 0.00000 -0.00006 -0.00004 65 8D+1 0.00000 0.00000 -0.00006 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00008 0.00006 67 8D+2 0.00002 0.00000 0.00000 -0.00001 -0.00001 68 8D-2 0.00000 0.00000 0.00011 0.00000 0.00000 69 9D 0 0.00001 0.00000 0.00000 0.00003 0.00002 70 9D+1 0.00000 0.00000 -0.00013 0.00000 0.00000 71 9D-1 -0.00003 0.00000 0.00000 -0.00020 -0.00015 72 9D+2 -0.00003 0.00000 0.00000 -0.00016 -0.00012 73 9D-2 0.00000 0.00000 -0.00012 0.00000 0.00000 74 3 H 1S -0.00080 0.00005 -0.00933 0.00538 0.00404 75 2S -0.00159 0.00010 -0.01382 0.00798 0.00599 76 3S -0.00115 0.00007 -0.00606 0.00350 0.00263 77 4S -0.00001 0.00000 -0.00034 0.00020 0.00015 78 5PX 0.00004 0.00000 0.00032 -0.00030 -0.00023 79 5PY -0.00002 0.00000 -0.00030 -0.00003 -0.00002 80 5PZ 0.00005 0.00000 -0.00038 0.00022 0.00016 81 6PX 0.00007 0.00000 -0.00035 -0.00011 -0.00009 82 6PY -0.00004 0.00000 -0.00011 -0.00049 -0.00037 83 6PZ 0.00020 -0.00001 -0.00032 0.00018 0.00014 84 7PX -0.00008 0.00001 0.00016 0.00034 0.00026 85 7PY 0.00005 0.00000 0.00034 0.00055 0.00042 86 7PZ -0.00007 0.00000 0.00015 -0.00009 -0.00007 87 8D 0 0.00003 0.00000 -0.00005 0.00003 0.00002 88 8D+1 0.00000 0.00000 0.00004 -0.00006 -0.00004 89 8D-1 0.00000 0.00000 -0.00006 -0.00002 -0.00002 90 8D+2 -0.00001 0.00000 0.00005 0.00008 0.00006 91 8D-2 0.00002 0.00000 0.00002 0.00005 0.00004 92 9D 0 0.00001 0.00000 0.00003 -0.00002 -0.00001 93 9D+1 -0.00002 0.00000 -0.00018 0.00003 0.00002 94 9D-1 0.00001 0.00000 0.00003 -0.00015 -0.00011 95 9D+2 0.00002 0.00000 0.00002 -0.00013 -0.00010 96 9D-2 -0.00003 0.00000 -0.00015 0.00002 0.00001 97 4 H 1S -0.00080 0.00005 0.00933 0.00538 0.00404 98 2S -0.00159 0.00010 0.01382 0.00798 0.00599 99 3S -0.00115 0.00007 0.00606 0.00350 0.00263 100 4S -0.00001 0.00000 0.00034 0.00020 0.00015 101 5PX -0.00004 0.00000 0.00032 0.00030 0.00023 102 5PY -0.00002 0.00000 0.00030 -0.00003 -0.00002 103 5PZ 0.00005 0.00000 0.00038 0.00022 0.00016 104 6PX -0.00007 0.00000 -0.00035 0.00011 0.00009 105 6PY -0.00004 0.00000 0.00011 -0.00049 -0.00037 106 6PZ 0.00020 -0.00001 0.00032 0.00018 0.00014 107 7PX 0.00008 -0.00001 0.00016 -0.00034 -0.00026 108 7PY 0.00005 0.00000 -0.00034 0.00055 0.00042 109 7PZ -0.00007 0.00000 -0.00015 -0.00009 -0.00007 110 8D 0 0.00003 0.00000 0.00005 0.00003 0.00002 111 8D+1 0.00000 0.00000 0.00004 0.00006 0.00004 112 8D-1 0.00000 0.00000 0.00006 -0.00002 -0.00002 113 8D+2 -0.00001 0.00000 -0.00005 0.00008 0.00006 114 8D-2 -0.00002 0.00000 0.00002 -0.00005 -0.00004 115 9D 0 0.00001 0.00000 -0.00003 -0.00002 -0.00001 116 9D+1 0.00002 0.00000 -0.00018 -0.00003 -0.00002 117 9D-1 0.00001 0.00000 -0.00003 -0.00015 -0.00011 118 9D+2 0.00002 0.00000 -0.00002 -0.00013 -0.00010 119 9D-2 0.00003 0.00000 -0.00015 -0.00002 -0.00001 26 27 28 29 30 26 12D-2 0.00268 27 13D 0 0.00000 0.00001 28 13D+1 0.00291 0.00000 0.00316 29 13D-1 0.00000 0.00000 0.00000 0.00316 30 13D+2 0.00000 0.00000 0.00000 0.00242 0.00185 31 13D-2 0.00222 0.00000 0.00242 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00116 0.00000 0.00126 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00126 0.00096 35 14D+2 0.00000 0.00000 0.00000 0.00031 0.00024 36 14D-2 0.00029 0.00000 0.00031 0.00000 0.00000 37 15F 0 0.00000 -0.00002 0.00000 0.00000 0.00000 38 15F+1 -0.00027 0.00000 -0.00029 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00029 -0.00022 40 15F+2 0.00000 0.00000 0.00000 -0.00106 -0.00081 41 15F-2 -0.00098 0.00000 -0.00106 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00002 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00025 0.00000 -0.00027 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00027 -0.00021 47 16F+2 0.00000 0.00000 0.00000 -0.00019 -0.00014 48 16F-2 -0.00017 0.00000 -0.00019 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 -0.00001 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 -0.00019 0.00000 -0.00879 -0.00672 52 2S 0.00000 -0.00029 0.00000 -0.01304 -0.00996 53 3S 0.00000 -0.00008 0.00000 -0.00571 -0.00436 54 4S 0.00000 -0.00001 0.00000 -0.00032 -0.00025 55 5PX -0.00015 0.00000 -0.00017 0.00000 0.00000 56 5PY 0.00000 0.00002 0.00000 0.00040 0.00031 57 5PZ 0.00000 -0.00001 0.00000 -0.00036 -0.00027 58 6PX -0.00042 0.00000 -0.00045 0.00000 0.00000 59 6PY 0.00000 0.00003 0.00000 -0.00023 -0.00018 60 6PZ 0.00000 -0.00002 0.00000 -0.00030 -0.00023 61 7PX 0.00056 0.00000 0.00061 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 -0.00003 -0.00002 63 7PZ 0.00000 0.00001 0.00000 0.00015 0.00011 64 8D 0 0.00000 0.00000 0.00000 -0.00005 -0.00003 65 8D+1 -0.00004 0.00000 -0.00005 0.00000 0.00000 66 8D-1 0.00000 0.00001 0.00000 0.00006 0.00005 67 8D+2 0.00000 0.00000 0.00000 -0.00001 -0.00001 68 8D-2 0.00008 0.00000 0.00009 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00003 0.00002 70 9D+1 -0.00010 0.00000 -0.00011 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 -0.00016 -0.00012 72 9D+2 0.00000 0.00000 0.00000 -0.00013 -0.00010 73 9D-2 -0.00009 0.00000 -0.00009 0.00000 0.00000 74 3 H 1S -0.00700 -0.00019 -0.00761 0.00439 0.00336 75 2S -0.01038 -0.00029 -0.01130 0.00652 0.00498 76 3S -0.00455 -0.00008 -0.00495 0.00286 0.00218 77 4S -0.00026 -0.00001 -0.00028 0.00016 0.00012 78 5PX 0.00024 0.00001 0.00026 -0.00025 -0.00019 79 5PY -0.00023 -0.00001 -0.00025 -0.00003 -0.00002 80 5PZ -0.00028 -0.00001 -0.00031 0.00018 0.00014 81 6PX -0.00026 0.00002 -0.00029 -0.00010 -0.00007 82 6PY -0.00009 -0.00001 -0.00010 -0.00040 -0.00030 83 6PZ -0.00024 -0.00002 -0.00026 0.00015 0.00011 84 7PX 0.00012 0.00000 0.00013 0.00028 0.00021 85 7PY 0.00026 0.00000 0.00028 0.00045 0.00034 86 7PZ 0.00012 0.00001 0.00013 -0.00007 -0.00006 87 8D 0 -0.00004 0.00000 -0.00004 0.00002 0.00002 88 8D+1 0.00003 0.00001 0.00003 -0.00005 -0.00004 89 8D-1 -0.00004 0.00000 -0.00005 -0.00002 -0.00002 90 8D+2 0.00004 0.00000 0.00004 0.00007 0.00005 91 8D-2 0.00001 0.00000 0.00002 0.00004 0.00003 92 9D 0 0.00002 0.00000 0.00002 -0.00001 -0.00001 93 9D+1 -0.00014 0.00000 -0.00015 0.00002 0.00002 94 9D-1 0.00002 0.00000 0.00002 -0.00012 -0.00009 95 9D+2 0.00001 0.00000 0.00002 -0.00010 -0.00008 96 9D-2 -0.00011 0.00000 -0.00012 0.00002 0.00001 97 4 H 1S 0.00700 -0.00019 0.00761 0.00439 0.00336 98 2S 0.01038 -0.00029 0.01130 0.00652 0.00498 99 3S 0.00455 -0.00008 0.00495 0.00286 0.00218 100 4S 0.00026 -0.00001 0.00028 0.00016 0.00012 101 5PX 0.00024 -0.00001 0.00026 0.00025 0.00019 102 5PY 0.00023 -0.00001 0.00025 -0.00003 -0.00002 103 5PZ 0.00028 -0.00001 0.00031 0.00018 0.00014 104 6PX -0.00026 -0.00002 -0.00029 0.00010 0.00007 105 6PY 0.00009 -0.00001 0.00010 -0.00040 -0.00030 106 6PZ 0.00024 -0.00002 0.00026 0.00015 0.00011 107 7PX 0.00012 0.00000 0.00013 -0.00028 -0.00021 108 7PY -0.00026 0.00000 -0.00028 0.00045 0.00034 109 7PZ -0.00012 0.00001 -0.00013 -0.00007 -0.00006 110 8D 0 0.00004 0.00000 0.00004 0.00002 0.00002 111 8D+1 0.00003 -0.00001 0.00003 0.00005 0.00004 112 8D-1 0.00004 0.00000 0.00005 -0.00002 -0.00002 113 8D+2 -0.00004 0.00000 -0.00004 0.00007 0.00005 114 8D-2 0.00001 0.00000 0.00002 -0.00004 -0.00003 115 9D 0 -0.00002 0.00000 -0.00002 -0.00001 -0.00001 116 9D+1 -0.00014 0.00000 -0.00015 -0.00002 -0.00002 117 9D-1 -0.00002 0.00000 -0.00002 -0.00012 -0.00009 118 9D+2 -0.00001 0.00000 -0.00002 -0.00010 -0.00008 119 9D-2 -0.00011 0.00000 -0.00012 -0.00002 -0.00001 31 32 33 34 35 31 13D-2 0.00185 32 14D 0 0.00000 0.00010 33 14D+1 0.00096 0.00000 0.00050 34 14D-1 0.00000 0.00000 0.00000 0.00050 35 14D+2 0.00000 0.00000 0.00000 0.00012 0.00003 36 14D-2 0.00024 0.00000 0.00012 0.00000 0.00000 37 15F 0 0.00000 0.00009 0.00000 0.00000 0.00000 38 15F+1 -0.00022 0.00000 -0.00012 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00012 -0.00003 40 15F+2 0.00000 0.00000 0.00000 -0.00042 -0.00010 41 15F-2 -0.00081 0.00000 -0.00042 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 -0.00006 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00021 0.00000 -0.00011 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00011 -0.00003 47 16F+2 0.00000 0.00000 0.00000 -0.00007 -0.00002 48 16F-2 -0.00014 0.00000 -0.00007 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00001 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00064 0.00000 -0.00350 -0.00086 52 2S 0.00000 0.00116 0.00000 -0.00520 -0.00128 53 3S 0.00000 0.00067 0.00000 -0.00228 -0.00056 54 4S 0.00000 0.00002 0.00000 -0.00013 -0.00003 55 5PX -0.00013 0.00000 -0.00007 0.00000 0.00000 56 5PY 0.00000 -0.00005 0.00000 0.00016 0.00004 57 5PZ 0.00000 -0.00001 0.00000 -0.00014 -0.00004 58 6PX -0.00035 0.00000 -0.00018 0.00000 0.00000 59 6PY 0.00000 -0.00008 0.00000 -0.00009 -0.00002 60 6PZ 0.00000 -0.00007 0.00000 -0.00012 -0.00003 61 7PX 0.00047 0.00000 0.00024 0.00000 0.00000 62 7PY 0.00000 0.00005 0.00000 -0.00001 0.00000 63 7PZ 0.00000 0.00003 0.00000 0.00006 0.00001 64 8D 0 0.00000 -0.00001 0.00000 -0.00002 0.00000 65 8D+1 -0.00004 0.00000 -0.00002 0.00000 0.00000 66 8D-1 0.00000 -0.00001 0.00000 0.00002 0.00001 67 8D+2 0.00000 -0.00002 0.00000 0.00000 0.00000 68 8D-2 0.00007 0.00000 0.00004 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000 70 9D+1 -0.00008 0.00000 -0.00004 0.00000 0.00000 71 9D-1 0.00000 0.00002 0.00000 -0.00006 -0.00002 72 9D+2 0.00000 0.00002 0.00000 -0.00005 -0.00001 73 9D-2 -0.00007 0.00000 -0.00004 0.00000 0.00000 74 3 H 1S -0.00582 0.00064 -0.00303 0.00175 0.00043 75 2S -0.00863 0.00116 -0.00450 0.00260 0.00064 76 3S -0.00378 0.00067 -0.00197 0.00114 0.00028 77 4S -0.00021 0.00002 -0.00011 0.00006 0.00002 78 5PX 0.00020 -0.00004 0.00010 -0.00010 -0.00002 79 5PY -0.00019 0.00002 -0.00010 -0.00001 0.00000 80 5PZ -0.00024 -0.00001 -0.00012 0.00007 0.00002 81 6PX -0.00022 -0.00007 -0.00011 -0.00004 -0.00001 82 6PY -0.00007 0.00004 -0.00004 -0.00016 -0.00004 83 6PZ -0.00020 -0.00007 -0.00010 0.00006 0.00001 84 7PX 0.00010 0.00004 0.00005 0.00011 0.00003 85 7PY 0.00021 -0.00002 0.00011 0.00018 0.00004 86 7PZ 0.00010 0.00003 0.00005 -0.00003 -0.00001 87 8D 0 -0.00003 -0.00001 -0.00002 0.00001 0.00000 88 8D+1 0.00003 -0.00001 0.00001 -0.00002 0.00000 89 8D-1 -0.00004 0.00000 -0.00002 -0.00001 0.00000 90 8D+2 0.00003 0.00001 0.00002 0.00003 0.00001 91 8D-2 0.00001 -0.00002 0.00001 0.00002 0.00000 92 9D 0 0.00002 0.00000 0.00001 -0.00001 0.00000 93 9D+1 -0.00011 0.00002 -0.00006 0.00001 0.00000 94 9D-1 0.00002 -0.00001 0.00001 -0.00005 -0.00001 95 9D+2 0.00001 -0.00001 0.00001 -0.00004 -0.00001 96 9D-2 -0.00009 0.00002 -0.00005 0.00001 0.00000 97 4 H 1S 0.00582 0.00064 0.00303 0.00175 0.00043 98 2S 0.00863 0.00116 0.00450 0.00260 0.00064 99 3S 0.00378 0.00067 0.00197 0.00114 0.00028 100 4S 0.00021 0.00002 0.00011 0.00006 0.00002 101 5PX 0.00020 0.00004 0.00010 0.00010 0.00002 102 5PY 0.00019 0.00002 0.00010 -0.00001 0.00000 103 5PZ 0.00024 -0.00001 0.00012 0.00007 0.00002 104 6PX -0.00022 0.00007 -0.00011 0.00004 0.00001 105 6PY 0.00007 0.00004 0.00004 -0.00016 -0.00004 106 6PZ 0.00020 -0.00007 0.00010 0.00006 0.00001 107 7PX 0.00010 -0.00004 0.00005 -0.00011 -0.00003 108 7PY -0.00021 -0.00002 -0.00011 0.00018 0.00004 109 7PZ -0.00010 0.00003 -0.00005 -0.00003 -0.00001 110 8D 0 0.00003 -0.00001 0.00002 0.00001 0.00000 111 8D+1 0.00003 0.00001 0.00001 0.00002 0.00000 112 8D-1 0.00004 0.00000 0.00002 -0.00001 0.00000 113 8D+2 -0.00003 0.00001 -0.00002 0.00003 0.00001 114 8D-2 0.00001 0.00002 0.00001 -0.00002 0.00000 115 9D 0 -0.00002 0.00000 -0.00001 -0.00001 0.00000 116 9D+1 -0.00011 -0.00002 -0.00006 -0.00001 0.00000 117 9D-1 -0.00002 -0.00001 -0.00001 -0.00005 -0.00001 118 9D+2 -0.00001 -0.00001 -0.00001 -0.00004 -0.00001 119 9D-2 -0.00009 -0.00002 -0.00005 -0.00001 0.00000 36 37 38 39 40 36 14D-2 0.00003 37 15F 0 0.00000 0.00012 38 15F+1 -0.00003 0.00000 0.00003 39 15F-1 0.00000 0.00000 0.00000 0.00003 40 15F+2 0.00000 0.00000 0.00000 0.00010 0.00036 41 15F-2 -0.00010 0.00000 0.00010 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 -0.00011 0.00000 0.00000 0.00000 44 16F 0 0.00000 -0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00003 0.00000 0.00003 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00003 0.00009 47 16F+2 0.00000 0.00000 0.00000 0.00002 0.00006 48 16F-2 -0.00002 0.00000 0.00002 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00002 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00104 0.00000 0.00081 0.00295 52 2S 0.00000 0.00174 0.00000 0.00120 0.00438 53 3S 0.00000 0.00080 0.00000 0.00052 0.00192 54 4S 0.00000 0.00004 0.00000 0.00003 0.00011 55 5PX -0.00002 0.00000 0.00002 0.00000 0.00000 56 5PY 0.00000 -0.00008 0.00000 -0.00004 -0.00013 57 5PZ 0.00000 0.00002 0.00000 0.00003 0.00012 58 6PX -0.00004 0.00000 0.00004 0.00000 0.00000 59 6PY 0.00000 -0.00014 0.00000 0.00002 0.00008 60 6PZ 0.00000 0.00000 0.00000 0.00003 0.00010 61 7PX 0.00006 0.00000 -0.00006 0.00000 0.00000 62 7PY 0.00000 0.00004 0.00000 0.00000 0.00001 63 7PZ 0.00000 0.00001 0.00000 -0.00001 -0.00005 64 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00002 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00002 0.00000 -0.00001 -0.00002 67 8D+2 0.00000 -0.00003 0.00000 0.00000 0.00000 68 8D-2 0.00001 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001 70 9D+1 -0.00001 0.00000 0.00001 0.00000 0.00000 71 9D-1 0.00000 0.00003 0.00000 0.00001 0.00005 72 9D+2 0.00000 0.00003 0.00000 0.00001 0.00004 73 9D-2 -0.00001 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00075 0.00104 0.00070 -0.00040 -0.00148 75 2S -0.00111 0.00174 0.00104 -0.00060 -0.00219 76 3S -0.00049 0.00080 0.00045 -0.00026 -0.00096 77 4S -0.00003 0.00004 0.00003 -0.00001 -0.00005 78 5PX 0.00003 -0.00007 -0.00002 0.00002 0.00008 79 5PY -0.00002 0.00004 0.00002 0.00000 0.00001 80 5PZ -0.00003 0.00002 0.00003 -0.00002 -0.00006 81 6PX -0.00003 -0.00012 0.00003 0.00001 0.00003 82 6PY -0.00001 0.00007 0.00001 0.00004 0.00013 83 6PZ -0.00003 0.00000 0.00002 -0.00001 -0.00005 84 7PX 0.00001 0.00003 -0.00001 -0.00003 -0.00009 85 7PY 0.00003 -0.00002 -0.00003 -0.00004 -0.00015 86 7PZ 0.00001 0.00001 -0.00001 0.00001 0.00002 87 8D 0 0.00000 -0.00001 0.00000 0.00000 -0.00001 88 8D+1 0.00000 -0.00002 0.00000 0.00000 0.00002 89 8D-1 0.00000 0.00001 0.00000 0.00000 0.00001 90 8D+2 0.00000 0.00001 0.00000 -0.00001 -0.00002 91 8D-2 0.00000 -0.00002 0.00000 0.00000 -0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00001 0.00002 0.00001 0.00000 -0.00001 94 9D-1 0.00000 -0.00001 0.00000 0.00001 0.00004 95 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00003 96 9D-2 -0.00001 0.00002 0.00001 0.00000 -0.00001 97 4 H 1S 0.00075 0.00104 -0.00070 -0.00040 -0.00148 98 2S 0.00111 0.00174 -0.00104 -0.00060 -0.00219 99 3S 0.00049 0.00080 -0.00045 -0.00026 -0.00096 100 4S 0.00003 0.00004 -0.00003 -0.00001 -0.00005 101 5PX 0.00003 0.00007 -0.00002 -0.00002 -0.00008 102 5PY 0.00002 0.00004 -0.00002 0.00000 0.00001 103 5PZ 0.00003 0.00002 -0.00003 -0.00002 -0.00006 104 6PX -0.00003 0.00012 0.00003 -0.00001 -0.00003 105 6PY 0.00001 0.00007 -0.00001 0.00004 0.00013 106 6PZ 0.00003 0.00000 -0.00002 -0.00001 -0.00005 107 7PX 0.00001 -0.00003 -0.00001 0.00003 0.00009 108 7PY -0.00003 -0.00002 0.00003 -0.00004 -0.00015 109 7PZ -0.00001 0.00001 0.00001 0.00001 0.00002 110 8D 0 0.00000 -0.00001 0.00000 0.00000 -0.00001 111 8D+1 0.00000 0.00002 0.00000 0.00000 -0.00002 112 8D-1 0.00000 0.00001 0.00000 0.00000 0.00001 113 8D+2 0.00000 0.00001 0.00000 -0.00001 -0.00002 114 8D-2 0.00000 0.00002 0.00000 0.00000 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 -0.00002 0.00001 0.00000 0.00001 117 9D-1 0.00000 -0.00001 0.00000 0.00001 0.00004 118 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00003 119 9D-2 -0.00001 -0.00002 0.00001 0.00000 0.00001 41 42 43 44 45 41 15F-2 0.00036 42 15F+3 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00010 44 16F 0 0.00000 0.00000 0.00001 0.00000 45 16F+1 0.00009 0.00000 0.00000 0.00000 0.00002 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00006 0.00000 0.00000 0.00000 0.00002 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.00002 0.00000 0.00000 51 2 H 1S 0.00000 0.00000 -0.00097 -0.00008 0.00000 52 2S 0.00000 0.00000 -0.00159 -0.00010 0.00000 53 3S 0.00000 0.00000 -0.00068 0.00000 0.00000 54 4S 0.00000 0.00000 -0.00004 -0.00001 0.00000 55 5PX 0.00006 0.00000 0.00000 0.00000 0.00001 56 5PY 0.00000 0.00000 0.00008 0.00001 0.00000 57 5PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 58 6PX 0.00015 0.00000 0.00000 0.00000 0.00004 59 6PY 0.00000 0.00000 0.00013 0.00001 0.00000 60 6PZ 0.00000 0.00000 -0.00002 -0.00002 0.00000 61 7PX -0.00021 0.00000 0.00000 0.00000 -0.00005 62 7PY 0.00000 0.00000 -0.00003 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 64 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000 65 8D+1 0.00002 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00002 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00003 0.00000 0.00000 68 8D-2 -0.00003 0.00000 0.00000 0.00000 -0.00001 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00004 0.00000 0.00000 0.00000 0.00001 71 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000 72 9D+2 0.00000 0.00000 -0.00002 0.00000 0.00000 73 9D-2 0.00003 0.00000 0.00000 0.00000 0.00001 74 3 H 1S 0.00256 0.00000 -0.00097 -0.00008 0.00065 75 2S 0.00380 0.00000 -0.00159 -0.00010 0.00097 76 3S 0.00166 0.00000 -0.00068 0.00000 0.00042 77 4S 0.00009 0.00000 -0.00004 -0.00001 0.00002 78 5PX -0.00009 0.00000 0.00007 0.00001 -0.00002 79 5PY 0.00008 0.00000 -0.00004 0.00000 0.00002 80 5PZ 0.00010 0.00000 -0.00002 -0.00001 0.00003 81 6PX 0.00010 0.00000 0.00012 0.00001 0.00003 82 6PY 0.00003 0.00000 -0.00007 -0.00001 0.00001 83 6PZ 0.00009 0.00000 -0.00002 -0.00002 0.00002 84 7PX -0.00004 0.00000 -0.00003 0.00000 -0.00001 85 7PY -0.00009 0.00000 0.00002 0.00000 -0.00002 86 7PZ -0.00004 0.00000 0.00000 0.00001 -0.00001 87 8D 0 0.00001 0.00000 0.00001 0.00000 0.00000 88 8D+1 -0.00001 0.00000 0.00002 0.00000 0.00000 89 8D-1 0.00002 0.00000 -0.00001 0.00000 0.00000 90 8D+2 -0.00001 0.00000 -0.00001 0.00000 0.00000 91 8D-2 -0.00001 0.00000 0.00002 0.00000 0.00000 92 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00005 0.00000 -0.00002 0.00000 0.00001 94 9D-1 -0.00001 0.00000 0.00001 0.00000 0.00000 95 9D+2 -0.00001 0.00000 0.00001 0.00000 0.00000 96 9D-2 0.00004 0.00000 -0.00002 0.00000 0.00001 97 4 H 1S -0.00256 0.00000 -0.00097 -0.00008 -0.00065 98 2S -0.00380 0.00000 -0.00159 -0.00010 -0.00097 99 3S -0.00166 0.00000 -0.00068 0.00000 -0.00042 100 4S -0.00009 0.00000 -0.00004 -0.00001 -0.00002 101 5PX -0.00009 0.00000 -0.00007 -0.00001 -0.00002 102 5PY -0.00008 0.00000 -0.00004 0.00000 -0.00002 103 5PZ -0.00010 0.00000 -0.00002 -0.00001 -0.00003 104 6PX 0.00010 0.00000 -0.00012 -0.00001 0.00003 105 6PY -0.00003 0.00000 -0.00007 -0.00001 -0.00001 106 6PZ -0.00009 0.00000 -0.00002 -0.00002 -0.00002 107 7PX -0.00004 0.00000 0.00003 0.00000 -0.00001 108 7PY 0.00009 0.00000 0.00002 0.00000 0.00002 109 7PZ 0.00004 0.00000 0.00000 0.00001 0.00001 110 8D 0 -0.00001 0.00000 0.00001 0.00000 0.00000 111 8D+1 -0.00001 0.00000 -0.00002 0.00000 0.00000 112 8D-1 -0.00002 0.00000 -0.00001 0.00000 0.00000 113 8D+2 0.00001 0.00000 -0.00001 0.00000 0.00000 114 8D-2 -0.00001 0.00000 -0.00002 0.00000 0.00000 115 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00005 0.00000 0.00002 0.00000 0.00001 117 9D-1 0.00001 0.00000 0.00001 0.00000 0.00000 118 9D+2 0.00001 0.00000 0.00001 0.00000 0.00000 119 9D-2 0.00004 0.00000 0.00002 0.00000 0.00001 46 47 48 49 50 46 16F-1 0.00002 47 16F+2 0.00002 0.00001 48 16F-2 0.00000 0.00000 0.00001 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00076 0.00052 0.00000 0.00000 0.00020 52 2S 0.00112 0.00077 0.00000 0.00000 0.00033 53 3S 0.00049 0.00034 0.00000 0.00000 0.00013 54 4S 0.00003 0.00002 0.00000 0.00000 0.00001 55 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 56 5PY -0.00003 -0.00002 0.00000 0.00000 -0.00002 57 5PZ 0.00003 0.00002 0.00000 0.00000 0.00001 58 6PX 0.00000 0.00000 0.00003 0.00000 0.00000 59 6PY 0.00002 0.00001 0.00000 0.00000 -0.00003 60 6PZ 0.00003 0.00002 0.00000 0.00000 0.00001 61 7PX 0.00000 0.00000 -0.00004 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 -0.00001 68 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 71 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 72 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00038 -0.00026 0.00045 0.00000 0.00020 75 2S -0.00056 -0.00038 0.00067 0.00000 0.00033 76 3S -0.00025 -0.00017 0.00029 0.00000 0.00013 77 4S -0.00001 -0.00001 0.00002 0.00000 0.00001 78 5PX 0.00002 0.00001 -0.00002 0.00000 -0.00001 79 5PY 0.00000 0.00000 0.00001 0.00000 0.00001 80 5PZ -0.00002 -0.00001 0.00002 0.00000 0.00001 81 6PX 0.00001 0.00001 0.00002 0.00000 -0.00002 82 6PY 0.00003 0.00002 0.00001 0.00000 0.00001 83 6PZ -0.00001 -0.00001 0.00002 0.00000 0.00001 84 7PX -0.00002 -0.00002 -0.00001 0.00000 0.00000 85 7PY -0.00004 -0.00003 -0.00002 0.00000 0.00000 86 7PZ 0.00001 0.00000 -0.00001 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 94 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 95 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 97 4 H 1S -0.00038 -0.00026 -0.00045 0.00000 0.00020 98 2S -0.00056 -0.00038 -0.00067 0.00000 0.00033 99 3S -0.00025 -0.00017 -0.00029 0.00000 0.00013 100 4S -0.00001 -0.00001 -0.00002 0.00000 0.00001 101 5PX -0.00002 -0.00001 -0.00002 0.00000 0.00001 102 5PY 0.00000 0.00000 -0.00001 0.00000 0.00001 103 5PZ -0.00002 -0.00001 -0.00002 0.00000 0.00001 104 6PX -0.00001 -0.00001 0.00002 0.00000 0.00002 105 6PY 0.00003 0.00002 -0.00001 0.00000 0.00001 106 6PZ -0.00001 -0.00001 -0.00002 0.00000 0.00001 107 7PX 0.00002 0.00002 -0.00001 0.00000 0.00000 108 7PY -0.00004 -0.00003 0.00002 0.00000 0.00000 109 7PZ 0.00001 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 117 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 118 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 51 52 53 54 55 51 2 H 1S 0.03350 52 2S 0.05128 0.07888 53 3S 0.02247 0.03484 0.01589 54 4S 0.00128 0.00196 0.00084 0.00005 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00001 56 5PY -0.00184 -0.00285 -0.00123 -0.00007 0.00000 57 5PZ 0.00120 0.00177 0.00070 0.00005 0.00000 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00002 59 6PY -0.00061 -0.00112 -0.00046 -0.00003 0.00000 60 6PZ 0.00093 0.00128 0.00033 0.00004 0.00000 61 7PX 0.00000 0.00000 0.00000 0.00000 -0.00003 62 7PY 0.00039 0.00067 0.00036 0.00001 0.00000 63 7PZ -0.00035 -0.00047 -0.00013 -0.00002 0.00000 64 8D 0 0.00001 -0.00001 -0.00002 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00037 -0.00057 -0.00023 -0.00002 0.00000 67 8D+2 -0.00021 -0.00036 -0.00016 -0.00001 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 -0.00007 -0.00011 -0.00006 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 71 9D-1 0.00067 0.00103 0.00046 0.00003 0.00000 72 9D+2 0.00057 0.00090 0.00041 0.00002 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 74 3 H 1S -0.00313 -0.00307 -0.00133 -0.00007 0.00040 75 2S -0.00307 -0.00178 -0.00049 -0.00004 0.00060 76 3S -0.00133 -0.00049 0.00041 -0.00004 0.00026 77 4S -0.00007 -0.00004 -0.00004 0.00000 0.00001 78 5PX 0.00005 -0.00003 0.00000 0.00000 -0.00001 79 5PY 0.00044 0.00071 0.00030 0.00002 0.00001 80 5PZ -0.00029 -0.00044 -0.00027 -0.00001 0.00002 81 6PX -0.00083 -0.00140 -0.00059 -0.00004 0.00002 82 6PY 0.00173 0.00268 0.00116 0.00007 0.00000 83 6PZ -0.00031 -0.00058 -0.00048 0.00000 0.00001 84 7PX -0.00051 -0.00067 -0.00023 -0.00002 -0.00001 85 7PY -0.00141 -0.00213 -0.00097 -0.00005 -0.00001 86 7PZ 0.00025 0.00043 0.00026 0.00001 -0.00001 87 8D 0 -0.00018 -0.00029 -0.00015 -0.00001 0.00000 88 8D+1 -0.00004 -0.00008 -0.00002 0.00000 0.00000 89 8D-1 0.00015 0.00024 0.00009 0.00001 0.00000 90 8D+2 -0.00006 -0.00007 -0.00003 0.00000 0.00000 91 8D-2 -0.00033 -0.00052 -0.00023 -0.00001 0.00000 92 9D 0 0.00004 0.00005 0.00001 0.00000 0.00000 93 9D+1 0.00012 0.00022 0.00010 0.00001 0.00001 94 9D-1 0.00023 0.00032 0.00014 0.00001 0.00000 95 9D+2 0.00018 0.00024 0.00010 0.00001 0.00000 96 9D-2 0.00014 0.00025 0.00012 0.00001 0.00001 97 4 H 1S -0.00313 -0.00307 -0.00133 -0.00007 -0.00040 98 2S -0.00307 -0.00178 -0.00049 -0.00004 -0.00060 99 3S -0.00133 -0.00049 0.00041 -0.00004 -0.00026 100 4S -0.00007 -0.00004 -0.00004 0.00000 -0.00001 101 5PX -0.00005 0.00003 0.00000 0.00000 -0.00001 102 5PY 0.00044 0.00071 0.00030 0.00002 -0.00001 103 5PZ -0.00029 -0.00044 -0.00027 -0.00001 -0.00002 104 6PX 0.00083 0.00140 0.00059 0.00004 0.00002 105 6PY 0.00173 0.00268 0.00116 0.00007 0.00000 106 6PZ -0.00031 -0.00058 -0.00048 0.00000 -0.00001 107 7PX 0.00051 0.00067 0.00023 0.00002 -0.00001 108 7PY -0.00141 -0.00213 -0.00097 -0.00005 0.00001 109 7PZ 0.00025 0.00043 0.00026 0.00001 0.00001 110 8D 0 -0.00018 -0.00029 -0.00015 -0.00001 0.00000 111 8D+1 0.00004 0.00008 0.00002 0.00000 0.00000 112 8D-1 0.00015 0.00024 0.00009 0.00001 0.00000 113 8D+2 -0.00006 -0.00007 -0.00003 0.00000 0.00000 114 8D-2 0.00033 0.00052 0.00023 0.00001 0.00000 115 9D 0 0.00004 0.00005 0.00001 0.00000 0.00000 116 9D+1 -0.00012 -0.00022 -0.00010 -0.00001 0.00001 117 9D-1 0.00023 0.00032 0.00014 0.00001 0.00000 118 9D+2 0.00018 0.00024 0.00010 0.00001 0.00000 119 9D-2 -0.00014 -0.00025 -0.00012 -0.00001 0.00001 56 57 58 59 60 56 5PY 0.00011 57 5PZ -0.00006 0.00006 58 6PX 0.00000 0.00000 0.00007 59 6PY 0.00007 -0.00001 0.00000 0.00020 60 6PZ -0.00005 0.00007 0.00000 -0.00001 0.00013 61 7PX 0.00000 0.00000 -0.00009 0.00000 0.00000 62 7PY -0.00003 0.00000 0.00000 -0.00004 -0.00003 63 7PZ 0.00002 -0.00003 0.00000 -0.00001 -0.00005 64 8D 0 0.00000 0.00001 0.00000 0.00002 0.00001 65 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000 66 8D-1 0.00002 -0.00001 0.00000 0.00002 -0.00002 67 8D+2 0.00002 0.00000 0.00000 0.00003 0.00000 68 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000 71 9D-1 -0.00004 0.00002 0.00000 -0.00002 0.00001 72 9D+2 -0.00003 0.00002 0.00000 -0.00002 0.00001 73 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00018 -0.00029 0.00109 -0.00158 -0.00031 75 2S -0.00038 -0.00044 0.00162 -0.00255 -0.00058 76 3S -0.00015 -0.00027 0.00071 -0.00109 -0.00048 77 4S -0.00001 -0.00001 0.00004 -0.00007 0.00000 78 5PX 0.00002 0.00001 -0.00004 0.00011 0.00001 79 5PY -0.00003 0.00001 0.00004 -0.00005 0.00001 80 5PZ 0.00000 0.00000 0.00004 -0.00005 0.00002 81 6PX 0.00008 -0.00002 0.00004 0.00016 -0.00001 82 6PY -0.00010 0.00006 0.00001 -0.00006 0.00005 83 6PZ 0.00000 0.00002 0.00004 -0.00004 0.00009 84 7PX 0.00002 -0.00004 -0.00002 -0.00005 -0.00005 85 7PY 0.00007 -0.00005 -0.00004 -0.00001 -0.00003 86 7PZ -0.00001 0.00000 -0.00002 0.00000 -0.00003 87 8D 0 0.00001 0.00000 0.00001 0.00001 0.00000 88 8D+1 0.00001 0.00000 0.00000 0.00003 -0.00001 89 8D-1 -0.00001 0.00001 0.00001 -0.00001 0.00001 90 8D+2 0.00000 0.00000 -0.00001 -0.00002 -0.00001 91 8D-2 0.00002 -0.00001 0.00000 0.00003 -0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 93 9D+1 -0.00001 0.00000 0.00002 -0.00003 0.00000 94 9D-1 -0.00001 0.00001 0.00000 0.00002 0.00001 95 9D+2 0.00000 0.00001 0.00000 0.00002 0.00001 96 9D-2 -0.00001 0.00000 0.00002 -0.00003 0.00000 97 4 H 1S -0.00018 -0.00029 -0.00109 -0.00158 -0.00031 98 2S -0.00038 -0.00044 -0.00162 -0.00255 -0.00058 99 3S -0.00015 -0.00027 -0.00071 -0.00109 -0.00048 100 4S -0.00001 -0.00001 -0.00004 -0.00007 0.00000 101 5PX -0.00002 -0.00001 -0.00004 -0.00011 -0.00001 102 5PY -0.00003 0.00001 -0.00004 -0.00005 0.00001 103 5PZ 0.00000 0.00000 -0.00004 -0.00005 0.00002 104 6PX -0.00008 0.00002 0.00004 -0.00016 0.00001 105 6PY -0.00010 0.00006 -0.00001 -0.00006 0.00005 106 6PZ 0.00000 0.00002 -0.00004 -0.00004 0.00009 107 7PX -0.00002 0.00004 -0.00002 0.00005 0.00005 108 7PY 0.00007 -0.00005 0.00004 -0.00001 -0.00003 109 7PZ -0.00001 0.00000 0.00002 0.00000 -0.00003 110 8D 0 0.00001 0.00000 -0.00001 0.00001 0.00000 111 8D+1 -0.00001 0.00000 0.00000 -0.00003 0.00001 112 8D-1 -0.00001 0.00001 -0.00001 -0.00001 0.00001 113 8D+2 0.00000 0.00000 0.00001 -0.00002 -0.00001 114 8D-2 -0.00002 0.00001 0.00000 -0.00003 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 116 9D+1 0.00001 0.00000 0.00002 0.00003 0.00000 117 9D-1 -0.00001 0.00001 0.00000 0.00002 0.00001 118 9D+2 0.00000 0.00001 0.00000 0.00002 0.00001 119 9D-2 0.00001 0.00000 0.00002 0.00003 0.00000 61 62 63 64 65 61 7PX 0.00012 62 7PY 0.00000 0.00002 63 7PZ 0.00000 0.00001 0.00002 64 8D 0 0.00000 -0.00001 -0.00001 0.00000 65 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 68 8D-2 0.00002 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 -0.00002 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00001 -0.00001 0.00000 0.00000 72 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 73 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.00147 0.00026 0.00025 -0.00018 0.00011 75 2S -0.00218 0.00048 0.00043 -0.00029 0.00017 76 3S -0.00096 0.00028 0.00026 -0.00015 0.00007 77 4S -0.00005 0.00001 0.00001 -0.00001 0.00000 78 5PX 0.00005 -0.00002 -0.00001 0.00001 0.00000 79 5PY -0.00005 0.00001 0.00000 0.00000 0.00000 80 5PZ -0.00006 -0.00001 0.00000 0.00000 0.00000 81 6PX -0.00006 -0.00003 -0.00001 0.00001 0.00000 82 6PY -0.00002 0.00002 -0.00002 0.00000 0.00000 83 6PZ -0.00005 -0.00003 -0.00003 0.00000 0.00000 84 7PX 0.00003 0.00002 0.00002 -0.00001 0.00000 85 7PY 0.00005 -0.00001 0.00001 0.00000 0.00000 86 7PZ 0.00002 0.00001 0.00001 0.00000 0.00000 87 8D 0 -0.00001 -0.00001 0.00000 0.00000 0.00000 88 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 89 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00003 0.00001 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 95 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 96 9D-2 -0.00002 0.00001 0.00000 0.00000 0.00000 97 4 H 1S 0.00147 0.00026 0.00025 -0.00018 -0.00011 98 2S 0.00218 0.00048 0.00043 -0.00029 -0.00017 99 3S 0.00096 0.00028 0.00026 -0.00015 -0.00007 100 4S 0.00005 0.00001 0.00001 -0.00001 0.00000 101 5PX 0.00005 0.00002 0.00001 -0.00001 0.00000 102 5PY 0.00005 0.00001 0.00000 0.00000 0.00000 103 5PZ 0.00006 -0.00001 0.00000 0.00000 0.00000 104 6PX -0.00006 0.00003 0.00001 -0.00001 0.00000 105 6PY 0.00002 0.00002 -0.00002 0.00000 0.00000 106 6PZ 0.00005 -0.00003 -0.00003 0.00000 0.00000 107 7PX 0.00003 -0.00002 -0.00002 0.00001 0.00000 108 7PY -0.00005 -0.00001 0.00001 0.00000 0.00000 109 7PZ -0.00002 0.00001 0.00001 0.00000 0.00000 110 8D 0 0.00001 -0.00001 0.00000 0.00000 0.00000 111 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00001 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00003 -0.00001 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 119 9D-2 -0.00002 -0.00001 0.00000 0.00000 0.00000 66 67 68 69 70 66 8D-1 0.00001 67 8D+2 0.00000 0.00001 68 8D-2 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 -0.00001 -0.00001 0.00000 0.00000 0.00000 72 9D+2 -0.00001 -0.00001 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.00011 -0.00025 -0.00022 0.00004 0.00026 75 2S -0.00019 -0.00042 -0.00032 0.00005 0.00038 76 3S -0.00006 -0.00018 -0.00014 0.00001 0.00017 77 4S -0.00001 -0.00001 -0.00001 0.00000 0.00001 78 5PX 0.00001 0.00002 0.00001 0.00000 -0.00001 79 5PY -0.00001 -0.00001 -0.00001 0.00000 0.00001 80 5PZ 0.00000 -0.00001 -0.00001 0.00000 0.00001 81 6PX 0.00002 0.00003 -0.00001 0.00000 0.00001 82 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000 83 6PZ -0.00001 0.00000 -0.00001 0.00001 0.00001 84 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 85 7PY 0.00001 0.00000 0.00001 0.00000 -0.00001 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00001 0.00001 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00001 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000 97 4 H 1S -0.00011 -0.00025 0.00022 0.00004 -0.00026 98 2S -0.00019 -0.00042 0.00032 0.00005 -0.00038 99 3S -0.00006 -0.00018 0.00014 0.00001 -0.00017 100 4S -0.00001 -0.00001 0.00001 0.00000 -0.00001 101 5PX -0.00001 -0.00002 0.00001 0.00000 -0.00001 102 5PY -0.00001 -0.00001 0.00001 0.00000 -0.00001 103 5PZ 0.00000 -0.00001 0.00001 0.00000 -0.00001 104 6PX -0.00002 -0.00003 -0.00001 0.00000 0.00001 105 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000 106 6PZ -0.00001 0.00000 0.00001 0.00001 -0.00001 107 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 108 7PY 0.00001 0.00000 -0.00001 0.00000 0.00001 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 -0.00001 -0.00001 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00001 0.00000 0.00000 0.00001 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00001 0.00000 0.00000 0.00000 71 72 73 74 75 71 9D-1 0.00001 72 9D+2 0.00001 0.00001 73 9D-2 0.00000 0.00000 0.00000 74 3 H 1S -0.00001 0.00003 0.00023 0.03350 75 2S 0.00003 0.00009 0.00034 0.05128 0.07888 76 3S 0.00002 0.00005 0.00015 0.02247 0.03484 77 4S 0.00000 0.00000 0.00001 0.00128 0.00196 78 5PX 0.00000 0.00000 -0.00001 -0.00160 -0.00247 79 5PY 0.00001 0.00001 0.00001 0.00092 0.00143 80 5PZ -0.00001 0.00000 0.00001 0.00120 0.00177 81 6PX -0.00002 -0.00002 0.00001 -0.00053 -0.00097 82 6PY 0.00004 0.00003 0.00000 0.00031 0.00056 83 6PZ -0.00001 -0.00001 0.00001 0.00093 0.00128 84 7PX -0.00001 0.00000 0.00000 0.00034 0.00058 85 7PY -0.00003 -0.00002 -0.00001 -0.00019 -0.00034 86 7PZ 0.00001 0.00001 0.00000 -0.00035 -0.00047 87 8D 0 0.00000 0.00000 0.00000 0.00001 -0.00001 88 8D+1 0.00000 0.00000 0.00000 -0.00032 -0.00049 89 8D-1 0.00000 0.00000 0.00000 0.00018 0.00028 90 8D+2 0.00000 0.00000 0.00000 0.00011 0.00018 91 8D-2 -0.00001 -0.00001 0.00000 -0.00018 -0.00031 92 9D 0 0.00000 0.00000 0.00000 -0.00007 -0.00011 93 9D+1 0.00000 0.00000 0.00000 0.00058 0.00089 94 9D-1 0.00000 0.00000 0.00000 -0.00033 -0.00052 95 9D+2 0.00000 0.00000 0.00000 -0.00029 -0.00045 96 9D-2 0.00000 0.00000 0.00000 0.00050 0.00078 97 4 H 1S -0.00001 0.00003 -0.00023 -0.00313 -0.00307 98 2S 0.00003 0.00009 -0.00034 -0.00307 -0.00178 99 3S 0.00002 0.00005 -0.00015 -0.00133 -0.00049 100 4S 0.00000 0.00000 -0.00001 -0.00007 -0.00004 101 5PX 0.00000 0.00000 -0.00001 0.00035 0.00063 102 5PY 0.00001 0.00001 -0.00001 -0.00026 -0.00033 103 5PZ -0.00001 0.00000 -0.00001 -0.00029 -0.00044 104 6PX 0.00002 0.00002 0.00001 0.00191 0.00302 105 6PY 0.00004 0.00003 0.00000 -0.00015 -0.00013 106 6PZ -0.00001 -0.00001 -0.00001 -0.00031 -0.00058 107 7PX 0.00001 0.00000 0.00000 -0.00096 -0.00151 108 7PY -0.00003 -0.00002 0.00001 0.00114 0.00165 109 7PZ 0.00001 0.00001 0.00000 0.00025 0.00043 110 8D 0 0.00000 0.00000 0.00000 -0.00018 -0.00029 111 8D+1 0.00000 0.00000 0.00000 0.00015 0.00024 112 8D-1 0.00000 0.00000 0.00000 -0.00004 -0.00005 113 8D+2 0.00000 0.00000 0.00000 0.00031 0.00049 114 8D-2 0.00001 0.00001 0.00000 0.00011 0.00020 115 9D 0 0.00000 0.00000 0.00000 0.00004 0.00005 116 9D+1 0.00000 0.00000 0.00000 0.00014 0.00017 117 9D-1 0.00000 0.00000 0.00000 -0.00022 -0.00035 118 9D+2 0.00000 0.00000 0.00000 -0.00021 -0.00034 119 9D-2 0.00000 0.00000 0.00000 0.00008 0.00009 76 77 78 79 80 76 3S 0.01589 77 4S 0.00084 0.00005 78 5PX -0.00107 -0.00006 0.00009 79 5PY 0.00062 0.00004 -0.00004 0.00003 80 5PZ 0.00070 0.00005 -0.00006 0.00003 0.00006 81 6PX -0.00040 -0.00003 0.00006 -0.00002 -0.00001 82 6PY 0.00023 0.00002 -0.00002 0.00004 0.00000 83 6PZ 0.00033 0.00004 -0.00005 0.00003 0.00007 84 7PX 0.00032 0.00001 -0.00003 0.00000 0.00000 85 7PY -0.00018 -0.00001 0.00000 -0.00003 0.00000 86 7PZ -0.00013 -0.00002 0.00001 -0.00001 -0.00003 87 8D 0 -0.00002 0.00000 0.00000 0.00000 0.00001 88 8D+1 -0.00020 -0.00001 0.00002 -0.00001 -0.00001 89 8D-1 0.00011 0.00001 -0.00001 0.00001 0.00001 90 8D+2 0.00008 0.00000 -0.00001 0.00000 0.00000 91 8D-2 -0.00014 -0.00001 0.00001 -0.00001 0.00000 92 9D 0 -0.00006 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00040 0.00002 -0.00003 0.00002 0.00002 94 9D-1 -0.00023 -0.00001 0.00002 -0.00001 -0.00001 95 9D+2 -0.00020 -0.00001 0.00002 0.00000 -0.00001 96 9D-2 0.00035 0.00002 -0.00002 0.00002 0.00002 97 4 H 1S -0.00133 -0.00007 -0.00035 -0.00026 -0.00029 98 2S -0.00049 -0.00004 -0.00063 -0.00033 -0.00044 99 3S 0.00041 -0.00004 -0.00026 -0.00015 -0.00027 100 4S -0.00004 0.00000 -0.00002 -0.00001 -0.00001 101 5PX 0.00026 0.00002 -0.00004 0.00000 0.00001 102 5PY -0.00015 -0.00001 0.00000 0.00000 -0.00002 103 5PZ -0.00027 -0.00001 -0.00001 -0.00002 0.00000 104 6PX 0.00130 0.00008 -0.00011 0.00007 0.00006 105 6PY -0.00007 0.00000 -0.00001 0.00002 -0.00002 106 6PZ -0.00048 0.00000 -0.00001 -0.00001 0.00002 107 7PX -0.00072 -0.00003 0.00005 -0.00002 -0.00002 108 7PY 0.00069 0.00004 -0.00005 0.00001 0.00005 109 7PZ 0.00026 0.00001 -0.00001 0.00001 0.00000 110 8D 0 -0.00015 -0.00001 0.00001 -0.00001 0.00000 111 8D+1 0.00009 0.00001 -0.00001 0.00000 0.00001 112 8D-1 -0.00003 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00021 0.00001 -0.00002 0.00001 0.00001 114 8D-2 0.00009 0.00001 -0.00001 0.00001 0.00000 115 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00007 0.00000 0.00000 0.00000 0.00001 117 9D-1 -0.00015 -0.00001 0.00001 0.00000 -0.00001 118 9D+2 -0.00016 -0.00001 0.00001 0.00000 -0.00001 119 9D-2 0.00003 0.00000 0.00000 0.00000 0.00001 81 82 83 84 85 81 6PX 0.00016 82 6PY -0.00006 0.00010 83 6PZ -0.00001 0.00000 0.00013 84 7PX -0.00005 -0.00002 -0.00002 0.00005 85 7PY -0.00002 -0.00007 0.00001 0.00004 0.00009 86 7PZ -0.00001 0.00001 -0.00005 0.00001 -0.00001 87 8D 0 0.00002 -0.00001 0.00001 -0.00001 0.00000 88 8D+1 0.00002 -0.00001 -0.00002 -0.00001 0.00000 89 8D-1 -0.00001 0.00001 0.00001 0.00000 -0.00001 90 8D+2 -0.00002 0.00000 0.00000 0.00001 0.00001 91 8D-2 0.00002 -0.00002 0.00000 0.00000 0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00001 0.00001 0.00001 0.00000 -0.00001 94 9D-1 0.00001 0.00001 -0.00001 -0.00001 -0.00001 95 9D+2 0.00001 0.00000 0.00000 -0.00001 -0.00001 96 9D-2 -0.00001 0.00001 0.00001 0.00000 -0.00001 97 4 H 1S -0.00191 -0.00015 -0.00031 0.00096 0.00114 98 2S -0.00302 -0.00013 -0.00058 0.00151 0.00165 99 3S -0.00130 -0.00007 -0.00048 0.00072 0.00069 100 4S -0.00008 0.00000 0.00000 0.00003 0.00004 101 5PX -0.00011 0.00001 0.00001 0.00005 0.00005 102 5PY -0.00007 0.00002 -0.00001 0.00002 0.00001 103 5PZ -0.00006 -0.00002 0.00002 0.00002 0.00005 104 6PX -0.00011 0.00007 0.00005 0.00002 -0.00003 105 6PY -0.00007 0.00009 -0.00001 -0.00001 -0.00006 106 6PZ -0.00005 -0.00001 0.00009 0.00000 0.00006 107 7PX 0.00002 0.00001 0.00000 -0.00003 -0.00002 108 7PY 0.00003 -0.00006 0.00006 0.00002 0.00005 109 7PZ 0.00001 0.00001 -0.00003 0.00000 -0.00003 110 8D 0 0.00001 -0.00001 0.00000 0.00000 0.00001 111 8D+1 -0.00003 0.00001 0.00001 0.00001 0.00001 112 8D-1 -0.00002 0.00001 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00001 0.00001 0.00000 114 8D-2 -0.00002 0.00002 0.00000 0.00000 -0.00001 115 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 116 9D+1 0.00004 -0.00001 0.00001 -0.00001 -0.00001 117 9D-1 0.00002 0.00001 0.00000 -0.00002 -0.00002 118 9D+2 0.00002 0.00001 0.00000 -0.00001 -0.00001 119 9D-2 0.00003 -0.00001 0.00001 -0.00001 -0.00001 86 87 88 89 90 86 7PZ 0.00002 87 8D 0 -0.00001 0.00000 88 8D+1 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00025 -0.00018 -0.00015 -0.00004 0.00031 98 2S 0.00043 -0.00029 -0.00024 -0.00005 0.00049 99 3S 0.00026 -0.00015 -0.00009 -0.00003 0.00021 100 4S 0.00001 -0.00001 -0.00001 0.00000 0.00001 101 5PX 0.00001 -0.00001 -0.00001 0.00000 0.00002 102 5PY 0.00001 -0.00001 0.00000 0.00000 0.00001 103 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00001 104 6PX -0.00001 -0.00001 -0.00003 0.00002 0.00001 105 6PY 0.00001 -0.00001 -0.00001 0.00001 0.00000 106 6PZ -0.00003 0.00000 -0.00001 0.00000 0.00001 107 7PX 0.00000 0.00000 0.00001 0.00000 -0.00001 108 7PY -0.00003 0.00001 -0.00001 0.00000 0.00000 109 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 8D-2 0.00001 92 9D 0 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00001 94 9D-1 0.00000 0.00000 0.00000 0.00001 95 9D+2 0.00000 0.00000 0.00000 0.00001 0.00001 96 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 97 4 H 1S -0.00011 0.00004 -0.00014 -0.00022 -0.00021 98 2S -0.00020 0.00005 -0.00017 -0.00035 -0.00034 99 3S -0.00009 0.00001 -0.00007 -0.00015 -0.00016 100 4S -0.00001 0.00000 0.00000 -0.00001 -0.00001 101 5PX -0.00001 0.00000 0.00000 -0.00001 -0.00001 102 5PY -0.00001 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 104 6PX -0.00002 0.00000 0.00004 -0.00002 -0.00002 105 6PY -0.00002 0.00000 0.00001 0.00001 0.00001 106 6PZ 0.00000 0.00001 -0.00001 0.00000 0.00000 107 7PX 0.00000 0.00000 -0.00001 0.00002 0.00001 108 7PY 0.00001 0.00000 0.00001 -0.00002 -0.00001 109 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00001 0.00001 118 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 9D-2 0.00001 97 4 H 1S -0.00008 0.03350 98 2S -0.00009 0.05128 0.07888 99 3S -0.00003 0.02247 0.03484 0.01589 100 4S 0.00000 0.00128 0.00196 0.00084 0.00005 101 5PX 0.00000 0.00160 0.00247 0.00107 0.00006 102 5PY 0.00000 0.00092 0.00143 0.00062 0.00004 103 5PZ -0.00001 0.00120 0.00177 0.00070 0.00005 104 6PX 0.00003 0.00053 0.00097 0.00040 0.00003 105 6PY 0.00001 0.00031 0.00056 0.00023 0.00002 106 6PZ -0.00001 0.00093 0.00128 0.00033 0.00004 107 7PX -0.00001 -0.00034 -0.00058 -0.00032 -0.00001 108 7PY 0.00001 -0.00019 -0.00034 -0.00018 -0.00001 109 7PZ 0.00001 -0.00035 -0.00047 -0.00013 -0.00002 110 8D 0 0.00000 0.00001 -0.00001 -0.00002 0.00000 111 8D+1 0.00000 0.00032 0.00049 0.00020 0.00001 112 8D-1 0.00000 0.00018 0.00028 0.00011 0.00001 113 8D+2 0.00000 0.00011 0.00018 0.00008 0.00000 114 8D-2 0.00000 0.00018 0.00031 0.00014 0.00001 115 9D 0 0.00000 -0.00007 -0.00011 -0.00006 0.00000 116 9D+1 0.00000 -0.00058 -0.00089 -0.00040 -0.00002 117 9D-1 0.00000 -0.00033 -0.00052 -0.00023 -0.00001 118 9D+2 0.00000 -0.00029 -0.00045 -0.00020 -0.00001 119 9D-2 0.00000 -0.00050 -0.00078 -0.00035 -0.00002 101 102 103 104 105 101 5PX 0.00009 102 5PY 0.00004 0.00003 103 5PZ 0.00006 0.00003 0.00006 104 6PX 0.00006 0.00002 0.00001 0.00016 105 6PY 0.00002 0.00004 0.00000 0.00006 0.00010 106 6PZ 0.00005 0.00003 0.00007 0.00001 0.00000 107 7PX -0.00003 0.00000 0.00000 -0.00005 0.00002 108 7PY 0.00000 -0.00003 0.00000 0.00002 -0.00007 109 7PZ -0.00001 -0.00001 -0.00003 0.00001 0.00001 110 8D 0 0.00000 0.00000 0.00001 -0.00002 -0.00001 111 8D+1 0.00002 0.00001 0.00001 0.00002 0.00001 112 8D-1 0.00001 0.00001 0.00001 0.00001 0.00001 113 8D+2 0.00001 0.00000 0.00000 0.00002 0.00000 114 8D-2 0.00001 0.00001 0.00000 0.00002 0.00002 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 117 9D-1 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 118 9D+2 -0.00002 0.00000 -0.00001 -0.00001 0.00000 119 9D-2 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 106 107 108 109 110 106 6PZ 0.00013 107 7PX 0.00002 0.00005 108 7PY 0.00001 -0.00004 0.00009 109 7PZ -0.00005 -0.00001 -0.00001 0.00002 110 8D 0 0.00001 0.00001 0.00000 -0.00001 0.00000 111 8D+1 0.00002 -0.00001 0.00000 0.00000 0.00000 112 8D-1 0.00001 0.00000 -0.00001 0.00000 0.00000 113 8D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 114 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00001 0.00000 0.00000 117 9D-1 -0.00001 0.00001 -0.00001 0.00000 0.00000 118 9D+2 0.00000 0.00001 -0.00001 0.00000 0.00000 119 9D-2 -0.00001 0.00000 0.00001 0.00000 0.00000 111 112 113 114 115 111 8D+1 0.00000 112 8D-1 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 116 9D+1 0.00001 117 9D-1 0.00000 0.00001 118 9D+2 0.00000 0.00001 0.00001 119 9D-2 0.00001 0.00000 0.00000 0.00001 Beta Density Matrix: 1 2 3 4 5 1 1 P 1S 1.08114 2 2S -0.29216 1.05600 3 3S 0.04182 -0.15622 0.30378 4 4S -0.01375 0.04574 0.03370 0.00789 5 5S 0.01862 -0.07507 0.17609 0.02188 0.13024 6 6S -0.00125 0.00427 -0.00796 -0.00054 0.00220 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ -0.00335 0.01431 -0.02701 -0.00737 -0.04430 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00804 -0.03237 0.07644 0.01226 0.11291 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00282 -0.01055 0.02125 0.00314 0.03295 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.01069 -0.04026 0.08378 0.01163 0.09301 19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 20 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 21 11PZ 0.00096 -0.00369 0.00795 0.00104 0.00740 22 12D 0 -0.00004 0.00026 -0.00041 -0.00006 -0.00040 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 -0.00011 0.00039 -0.00154 -0.00019 -0.00077 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 -0.00026 0.00096 -0.00197 -0.00030 -0.00271 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00025 -0.00092 0.00191 0.00013 -0.00064 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 -0.00035 0.00131 -0.00281 -0.00025 -0.00016 44 16F 0 -0.00014 0.00048 -0.00116 -0.00014 -0.00071 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00010 -0.00035 0.00079 0.00008 0.00019 51 2 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 52 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 53 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 54 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 56 5PY -0.00030 0.00114 -0.00232 -0.00021 -0.00026 57 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 6PY -0.00040 0.00166 -0.00394 -0.00037 -0.00042 60 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 61 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 7PY -0.00032 0.00099 -0.00081 -0.00009 -0.00118 63 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 64 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00014 0.00049 -0.00098 -0.00010 -0.00033 67 8D+2 -0.00008 0.00027 -0.00059 -0.00005 0.00004 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00005 -0.00014 0.00042 0.00003 -0.00012 72 9D+2 0.00005 -0.00014 0.00027 0.00001 -0.00022 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 75 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 76 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 77 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 78 5PX -0.00026 0.00099 -0.00201 -0.00018 -0.00023 79 5PY 0.00015 -0.00057 0.00116 0.00010 0.00013 80 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 81 6PX -0.00034 0.00143 -0.00341 -0.00032 -0.00036 82 6PY 0.00020 -0.00083 0.00197 0.00019 0.00021 83 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 84 7PX -0.00027 0.00086 -0.00070 -0.00008 -0.00102 85 7PY 0.00016 -0.00050 0.00041 0.00004 0.00059 86 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 87 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 88 8D+1 -0.00012 0.00043 -0.00085 -0.00008 -0.00029 89 8D-1 0.00007 -0.00025 0.00049 0.00005 0.00017 90 8D+2 0.00004 -0.00014 0.00030 0.00002 -0.00002 91 8D-2 -0.00007 0.00023 -0.00051 -0.00004 0.00003 92 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 93 9D+1 0.00004 -0.00012 0.00036 0.00003 -0.00010 94 9D-1 -0.00002 0.00007 -0.00021 -0.00002 0.00006 95 9D+2 -0.00003 0.00007 -0.00013 -0.00001 0.00011 96 9D-2 0.00005 -0.00012 0.00023 0.00001 -0.00019 97 4 H 1S 0.00312 -0.01173 0.02361 0.00196 -0.00053 98 2S 0.00425 -0.01607 0.03299 0.00253 -0.00538 99 3S 0.00147 -0.00436 0.00357 -0.00037 -0.01039 100 4S 0.00021 -0.00074 0.00147 0.00014 0.00032 101 5PX 0.00026 -0.00099 0.00201 0.00018 0.00023 102 5PY 0.00015 -0.00057 0.00116 0.00010 0.00013 103 5PZ 0.00027 -0.00104 0.00221 0.00025 0.00122 104 6PX 0.00034 -0.00143 0.00341 0.00032 0.00036 105 6PY 0.00020 -0.00083 0.00197 0.00019 0.00021 106 6PZ 0.00063 -0.00243 0.00528 0.00063 0.00367 107 7PX 0.00027 -0.00086 0.00070 0.00008 0.00102 108 7PY 0.00016 -0.00050 0.00041 0.00004 0.00059 109 7PZ -0.00008 0.00040 -0.00152 -0.00021 -0.00122 110 8D 0 0.00001 -0.00006 0.00007 0.00002 0.00028 111 8D+1 0.00012 -0.00043 0.00085 0.00008 0.00029 112 8D-1 0.00007 -0.00025 0.00049 0.00005 0.00017 113 8D+2 0.00004 -0.00014 0.00030 0.00002 -0.00002 114 8D-2 0.00007 -0.00023 0.00051 0.00004 -0.00003 115 9D 0 0.00007 -0.00023 0.00031 0.00003 0.00022 116 9D+1 -0.00004 0.00012 -0.00036 -0.00003 0.00010 117 9D-1 -0.00002 0.00007 -0.00021 -0.00002 0.00006 118 9D+2 -0.00003 0.00007 -0.00013 -0.00001 0.00011 119 9D-2 -0.00005 0.00012 -0.00023 -0.00001 0.00019 6 7 8 9 10 6 6S 0.00187 7 7PX 0.00000 0.94887 8 7PY 0.00000 0.00000 0.94887 9 7PZ -0.00779 0.00000 0.00000 0.96239 10 8PX 0.00000 -0.06646 0.00000 0.00000 0.13254 11 8PY 0.00000 0.00000 -0.06646 0.00000 0.00000 12 8PZ 0.01473 0.00000 0.00000 -0.08992 0.00000 13 9PX 0.00000 0.05981 0.00000 0.00000 0.03511 14 9PY 0.00000 0.00000 0.05981 0.00000 0.00000 15 9PZ 0.00436 0.00000 0.00000 0.04871 0.00000 16 10PX 0.00000 -0.03249 0.00000 0.00000 0.07039 17 10PY 0.00000 0.00000 -0.03249 0.00000 0.00000 18 10PZ 0.00864 0.00000 0.00000 -0.05729 0.00000 19 11PX 0.00000 -0.00028 0.00000 0.00000 -0.00013 20 11PY 0.00000 0.00000 -0.00028 0.00000 0.00000 21 11PZ 0.00047 0.00000 0.00000 -0.00395 0.00000 22 12D 0 -0.00003 0.00000 0.00000 0.00240 0.00000 23 12D+1 0.00000 0.01487 0.00000 0.00000 -0.02511 24 12D-1 0.00000 0.00000 0.01487 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00934 0.00000 0.00000 26 12D-2 0.00000 0.00934 0.00000 0.00000 -0.01883 27 13D 0 0.00007 0.00000 0.00000 -0.00098 0.00000 28 13D+1 0.00000 0.00809 0.00000 0.00000 -0.02046 29 13D-1 0.00000 0.00000 0.00809 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00686 0.00000 0.00000 31 13D-2 0.00000 0.00686 0.00000 0.00000 -0.01564 32 14D 0 -0.00033 0.00000 0.00000 0.00146 0.00000 33 14D+1 0.00000 0.00386 0.00000 0.00000 -0.00816 34 14D-1 0.00000 0.00000 0.00386 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00118 0.00000 0.00000 36 14D-2 0.00000 0.00118 0.00000 0.00000 -0.00201 37 15F 0 -0.00048 0.00000 0.00000 0.00154 0.00000 38 15F+1 0.00000 -0.00102 0.00000 0.00000 0.00188 39 15F-1 0.00000 0.00000 -0.00102 0.00000 0.00000 40 15F+2 0.00000 0.00000 -0.00305 0.00000 0.00000 41 15F-2 0.00000 -0.00305 0.00000 0.00000 0.00688 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00043 0.00000 0.00000 -0.00122 0.00000 44 16F 0 0.00002 0.00000 0.00000 0.00011 0.00000 45 16F+1 0.00000 -0.00147 0.00000 0.00000 0.00177 46 16F-1 0.00000 0.00000 -0.00147 0.00000 0.00000 47 16F+2 0.00000 0.00000 -0.00116 0.00000 0.00000 48 16F-2 0.00000 -0.00116 0.00000 0.00000 0.00122 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.00009 0.00000 0.00000 0.00005 0.00000 51 2 H 1S -0.00409 0.00000 -0.02511 0.01367 0.00000 52 2S -0.00685 0.00000 -0.03372 0.02352 0.00000 53 3S -0.00312 0.00000 -0.01573 0.01336 0.00000 54 4S -0.00017 0.00000 -0.00063 0.00055 0.00000 55 5PX 0.00000 -0.00055 0.00000 0.00000 0.00108 56 5PY 0.00033 0.00000 0.00118 -0.00107 0.00000 57 5PZ -0.00007 0.00000 -0.00103 -0.00017 0.00000 58 6PX 0.00000 -0.00046 0.00000 0.00000 0.00292 59 6PY 0.00056 0.00000 -0.00158 -0.00097 0.00000 60 6PZ 0.00001 0.00000 -0.00036 -0.00078 0.00000 61 7PX 0.00000 0.00204 0.00000 0.00000 -0.00396 62 7PY -0.00015 0.00000 -0.00005 0.00108 0.00000 63 7PZ -0.00004 0.00000 0.00038 0.00043 0.00000 64 8D 0 0.00006 0.00000 -0.00013 -0.00031 0.00000 65 8D+1 0.00000 -0.00016 0.00000 0.00000 0.00031 66 8D-1 0.00008 0.00000 0.00035 -0.00020 0.00000 67 8D+2 0.00011 0.00000 0.00009 -0.00042 0.00000 68 8D-2 0.00000 0.00026 0.00000 0.00000 -0.00058 69 9D 0 0.00000 0.00000 0.00022 0.00022 0.00000 70 9D+1 0.00000 -0.00028 0.00000 0.00000 0.00070 71 9D-1 -0.00010 0.00000 -0.00038 0.00006 0.00000 72 9D+2 -0.00010 0.00000 -0.00009 0.00067 0.00000 73 9D-2 0.00000 -0.00099 0.00000 0.00000 0.00062 74 3 H 1S -0.00409 -0.02174 0.01255 0.01367 0.04926 75 2S -0.00685 -0.02920 0.01686 0.02352 0.07306 76 3S -0.00312 -0.01363 0.00787 0.01336 0.03201 77 4S -0.00017 -0.00054 0.00031 0.00055 0.00182 78 5PX 0.00028 0.00075 -0.00075 -0.00093 -0.00167 79 5PY -0.00016 -0.00075 -0.00012 0.00053 0.00159 80 5PZ -0.00007 -0.00089 0.00051 -0.00017 0.00200 81 6PX 0.00048 -0.00130 0.00048 -0.00084 0.00186 82 6PY -0.00028 0.00048 -0.00074 0.00048 0.00061 83 6PZ 0.00001 -0.00031 0.00018 -0.00078 0.00167 84 7PX -0.00013 0.00047 0.00090 0.00094 -0.00084 85 7PY 0.00008 0.00090 0.00152 -0.00054 -0.00180 86 7PZ -0.00004 0.00033 -0.00019 0.00043 -0.00082 87 8D 0 0.00006 -0.00011 0.00006 -0.00031 0.00025 88 8D+1 0.00007 0.00022 -0.00022 -0.00017 -0.00023 89 8D-1 -0.00004 -0.00022 -0.00004 0.00010 0.00031 90 8D+2 -0.00005 0.00007 0.00022 0.00021 -0.00028 91 8D-2 0.00009 0.00013 0.00007 -0.00037 -0.00010 92 9D 0 0.00000 0.00019 -0.00011 0.00022 -0.00015 93 9D+1 -0.00009 -0.00036 0.00005 0.00005 0.00096 94 9D-1 0.00005 0.00005 -0.00030 -0.00003 -0.00015 95 9D+2 0.00005 -0.00039 -0.00077 -0.00034 -0.00009 96 9D-2 -0.00009 -0.00032 -0.00039 0.00058 0.00078 97 4 H 1S -0.00409 0.02174 0.01255 0.01367 -0.04926 98 2S -0.00685 0.02920 0.01686 0.02352 -0.07306 99 3S -0.00312 0.01363 0.00787 0.01336 -0.03201 100 4S -0.00017 0.00054 0.00031 0.00055 -0.00182 101 5PX -0.00028 0.00075 0.00075 0.00093 -0.00167 102 5PY -0.00016 0.00075 -0.00012 0.00053 -0.00159 103 5PZ -0.00007 0.00089 0.00051 -0.00017 -0.00200 104 6PX -0.00048 -0.00130 -0.00048 0.00084 0.00186 105 6PY -0.00028 -0.00048 -0.00074 0.00048 -0.00061 106 6PZ 0.00001 0.00031 0.00018 -0.00078 -0.00167 107 7PX 0.00013 0.00047 -0.00090 -0.00094 -0.00084 108 7PY 0.00008 -0.00090 0.00152 -0.00054 0.00180 109 7PZ -0.00004 -0.00033 -0.00019 0.00043 0.00082 110 8D 0 0.00006 0.00011 0.00006 -0.00031 -0.00025 111 8D+1 -0.00007 0.00022 0.00022 0.00017 -0.00023 112 8D-1 -0.00004 0.00022 -0.00004 0.00010 -0.00031 113 8D+2 -0.00005 -0.00007 0.00022 0.00021 0.00028 114 8D-2 -0.00009 0.00013 -0.00007 0.00037 -0.00010 115 9D 0 0.00000 -0.00019 -0.00011 0.00022 0.00015 116 9D+1 0.00009 -0.00036 -0.00005 -0.00005 0.00096 117 9D-1 0.00005 -0.00005 -0.00030 -0.00003 0.00015 118 9D+2 0.00005 0.00039 -0.00077 -0.00034 0.00009 119 9D-2 0.00009 -0.00032 0.00039 -0.00058 0.00078 11 12 13 14 15 11 8PY 0.13254 12 8PZ 0.00000 0.18740 13 9PX 0.00000 0.00000 0.01584 14 9PY 0.03511 0.00000 0.00000 0.01584 15 9PZ 0.00000 0.05494 0.00000 0.00000 0.02225 16 10PX 0.00000 0.00000 0.01888 0.00000 0.00000 17 10PY 0.07039 0.00000 0.00000 0.01888 0.00000 18 10PZ 0.00000 0.13004 0.00000 0.00000 0.03832 19 11PX 0.00000 0.00000 -0.00006 0.00000 0.00000 20 11PY -0.00013 0.00000 0.00000 -0.00006 0.00000 21 11PZ 0.00000 0.00885 0.00000 0.00000 0.00259 22 12D 0 0.00000 -0.00053 0.00000 0.00000 0.00002 23 12D+1 0.00000 0.00000 -0.00646 0.00000 0.00000 24 12D-1 -0.02511 0.00000 0.00000 -0.00646 0.00000 25 12D+2 -0.01883 0.00000 0.00000 -0.00500 0.00000 26 12D-2 0.00000 0.00000 -0.00500 0.00000 0.00000 27 13D 0 0.00000 -0.00005 0.00000 0.00000 -0.00009 28 13D+1 0.00000 0.00000 -0.00560 0.00000 0.00000 29 13D-1 -0.02046 0.00000 0.00000 -0.00560 0.00000 30 13D+2 -0.01564 0.00000 0.00000 -0.00423 0.00000 31 13D-2 0.00000 0.00000 -0.00423 0.00000 0.00000 32 14D 0 0.00000 -0.00433 0.00000 0.00000 -0.00132 33 14D+1 0.00000 0.00000 -0.00218 0.00000 0.00000 34 14D-1 -0.00816 0.00000 0.00000 -0.00218 0.00000 35 14D+2 -0.00201 0.00000 0.00000 -0.00052 0.00000 36 14D-2 0.00000 0.00000 -0.00052 0.00000 0.00000 37 15F 0 0.00000 -0.00381 0.00000 0.00000 -0.00116 38 15F+1 0.00000 0.00000 0.00049 0.00000 0.00000 39 15F-1 0.00188 0.00000 0.00000 0.00049 0.00000 40 15F+2 0.00688 0.00000 0.00000 0.00186 0.00000 41 15F-2 0.00000 0.00000 0.00186 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00289 0.00000 0.00000 0.00089 44 16F 0 0.00000 -0.00036 0.00000 0.00000 -0.00011 45 16F+1 0.00000 0.00000 0.00042 0.00000 0.00000 46 16F-1 0.00177 0.00000 0.00000 0.00042 0.00000 47 16F+2 0.00122 0.00000 0.00000 0.00028 0.00000 48 16F-2 0.00000 0.00000 0.00028 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 -0.00047 0.00000 0.00000 -0.00016 51 2 H 1S 0.05688 -0.02895 0.00000 0.01535 -0.00876 52 2S 0.08436 -0.05183 0.00000 0.02307 -0.01570 53 3S 0.03696 -0.02958 0.00000 0.01003 -0.00885 54 4S 0.00210 -0.00093 0.00000 0.00059 -0.00028 55 5PX 0.00000 0.00000 0.00029 0.00000 0.00000 56 5PY -0.00259 0.00208 0.00000 -0.00070 0.00063 57 5PZ 0.00231 0.00040 0.00000 0.00062 0.00011 58 6PX 0.00000 0.00000 0.00086 0.00000 0.00000 59 6PY 0.00151 0.00359 0.00000 0.00033 0.00115 60 6PZ 0.00193 0.00281 0.00000 0.00056 0.00084 61 7PX 0.00000 0.00000 -0.00105 0.00000 0.00000 62 7PY 0.00020 -0.00197 0.00000 0.00006 -0.00057 63 7PZ -0.00094 -0.00120 0.00000 -0.00026 -0.00036 64 8D 0 0.00029 0.00060 0.00000 0.00008 0.00017 65 8D+1 0.00000 0.00000 0.00008 0.00000 0.00000 66 8D-1 -0.00040 0.00033 0.00000 -0.00009 0.00010 67 8D+2 0.00006 0.00079 0.00000 0.00003 0.00023 68 8D-2 0.00000 0.00000 -0.00016 0.00000 0.00000 69 9D 0 -0.00017 0.00017 0.00000 -0.00003 0.00007 70 9D+1 0.00000 0.00000 0.00019 0.00000 0.00000 71 9D-1 0.00105 -0.00078 0.00000 0.00029 -0.00026 72 9D+2 0.00083 -0.00087 0.00000 0.00025 -0.00024 73 9D-2 0.00000 0.00000 0.00011 0.00000 0.00000 74 3 H 1S -0.02844 -0.02895 0.01330 -0.00768 -0.00876 75 2S -0.04218 -0.05183 0.01998 -0.01153 -0.01570 76 3S -0.01848 -0.02958 0.00868 -0.00501 -0.00885 77 4S -0.00105 -0.00093 0.00051 -0.00030 -0.00028 78 5PX 0.00159 0.00180 -0.00045 0.00042 0.00054 79 5PY 0.00016 -0.00104 0.00042 0.00004 -0.00031 80 5PZ -0.00116 0.00040 0.00054 -0.00031 0.00011 81 6PX 0.00061 0.00311 0.00046 0.00023 0.00100 82 6PY 0.00257 -0.00180 0.00023 0.00073 -0.00058 83 6PZ -0.00097 0.00281 0.00049 -0.00028 0.00084 84 7PX -0.00180 -0.00171 -0.00022 -0.00048 -0.00049 85 7PY -0.00292 0.00099 -0.00048 -0.00077 0.00028 86 7PZ 0.00047 -0.00120 -0.00022 0.00013 -0.00036 87 8D 0 -0.00015 0.00060 0.00007 -0.00004 0.00017 88 8D+1 0.00031 0.00029 -0.00005 0.00008 0.00009 89 8D-1 0.00013 -0.00017 0.00008 0.00004 -0.00005 90 8D+2 -0.00042 -0.00039 -0.00008 -0.00011 -0.00012 91 8D-2 -0.00028 0.00068 -0.00002 -0.00008 0.00020 92 9D 0 0.00009 0.00017 -0.00003 0.00002 0.00007 93 9D+1 -0.00015 -0.00067 0.00027 -0.00004 -0.00022 94 9D-1 0.00078 0.00039 -0.00004 0.00022 0.00013 95 9D+2 0.00067 0.00043 -0.00006 0.00014 0.00012 96 9D-2 -0.00009 -0.00075 0.00021 -0.00006 -0.00021 97 4 H 1S -0.02844 -0.02895 -0.01330 -0.00768 -0.00876 98 2S -0.04218 -0.05183 -0.01998 -0.01153 -0.01570 99 3S -0.01848 -0.02958 -0.00868 -0.00501 -0.00885 100 4S -0.00105 -0.00093 -0.00051 -0.00030 -0.00028 101 5PX -0.00159 -0.00180 -0.00045 -0.00042 -0.00054 102 5PY 0.00016 -0.00104 -0.00042 0.00004 -0.00031 103 5PZ -0.00116 0.00040 -0.00054 -0.00031 0.00011 104 6PX -0.00061 -0.00311 0.00046 -0.00023 -0.00100 105 6PY 0.00257 -0.00180 -0.00023 0.00073 -0.00058 106 6PZ -0.00097 0.00281 -0.00049 -0.00028 0.00084 107 7PX 0.00180 0.00171 -0.00022 0.00048 0.00049 108 7PY -0.00292 0.00099 0.00048 -0.00077 0.00028 109 7PZ 0.00047 -0.00120 0.00022 0.00013 -0.00036 110 8D 0 -0.00015 0.00060 -0.00007 -0.00004 0.00017 111 8D+1 -0.00031 -0.00029 -0.00005 -0.00008 -0.00009 112 8D-1 0.00013 -0.00017 -0.00008 0.00004 -0.00005 113 8D+2 -0.00042 -0.00039 0.00008 -0.00011 -0.00012 114 8D-2 0.00028 -0.00068 -0.00002 0.00008 -0.00020 115 9D 0 0.00009 0.00017 0.00003 0.00002 0.00007 116 9D+1 0.00015 0.00067 0.00027 0.00004 0.00022 117 9D-1 0.00078 0.00039 0.00004 0.00022 0.00013 118 9D+2 0.00067 0.00043 0.00006 0.00014 0.00012 119 9D-2 0.00009 0.00075 0.00021 0.00006 0.00021 16 17 18 19 20 16 10PX 0.03739 17 10PY 0.00000 0.03739 18 10PZ 0.00000 0.00000 0.09372 19 11PX -0.00007 0.00000 0.00000 0.00000 20 11PY 0.00000 -0.00007 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00663 0.00000 0.00000 22 12D 0 0.00000 0.00000 -0.00038 0.00000 0.00000 23 12D+1 -0.01333 0.00000 0.00000 0.00002 0.00000 24 12D-1 0.00000 -0.01333 0.00000 0.00000 0.00002 25 12D+2 0.00000 -0.01000 0.00000 0.00000 0.00002 26 12D-2 -0.01000 0.00000 0.00000 0.00002 0.00000 27 13D 0 0.00000 0.00000 -0.00021 0.00000 0.00000 28 13D+1 -0.01087 0.00000 0.00000 0.00002 0.00000 29 13D-1 0.00000 -0.01087 0.00000 0.00000 0.00002 30 13D+2 0.00000 -0.00831 0.00000 0.00000 0.00002 31 13D-2 -0.00831 0.00000 0.00000 0.00002 0.00000 32 14D 0 0.00000 0.00000 -0.00303 0.00000 0.00000 33 14D+1 -0.00433 0.00000 0.00000 0.00001 0.00000 34 14D-1 0.00000 -0.00433 0.00000 0.00000 0.00001 35 14D+2 0.00000 -0.00107 0.00000 0.00000 0.00000 36 14D-2 -0.00107 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 -0.00225 0.00000 0.00000 38 15F+1 0.00100 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00100 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00365 0.00000 0.00000 -0.00001 41 15F-2 0.00365 0.00000 0.00000 -0.00001 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00156 0.00000 0.00000 44 16F 0 0.00000 0.00000 -0.00037 0.00000 0.00000 45 16F+1 0.00094 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00094 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00064 0.00000 0.00000 0.00000 48 16F-2 0.00064 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.00021 0.00000 0.00000 51 2 H 1S 0.00000 0.03022 -0.01610 0.00000 -0.00006 52 2S 0.00000 0.04483 -0.02988 0.00000 -0.00009 53 3S 0.00000 0.01964 -0.01877 0.00000 -0.00004 54 4S 0.00000 0.00111 -0.00044 0.00000 0.00000 55 5PX 0.00057 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 -0.00138 0.00109 0.00000 0.00000 57 5PZ 0.00000 0.00123 0.00051 0.00000 0.00000 58 6PX 0.00155 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00080 0.00189 0.00000 0.00000 60 6PZ 0.00000 0.00103 0.00242 0.00000 0.00000 61 7PX -0.00210 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00010 -0.00137 0.00000 0.00000 63 7PZ 0.00000 -0.00050 -0.00095 0.00000 0.00000 64 8D 0 0.00000 0.00016 0.00039 0.00000 0.00000 65 8D+1 0.00016 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00021 0.00010 0.00000 0.00000 67 8D+2 0.00000 0.00003 0.00044 0.00000 0.00000 68 8D-2 -0.00031 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 -0.00009 0.00015 0.00000 0.00000 70 9D+1 0.00037 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00056 -0.00046 0.00000 0.00000 72 9D+2 0.00000 0.00044 -0.00053 0.00000 0.00000 73 9D-2 0.00033 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.02617 -0.01511 -0.01610 -0.00005 0.00003 75 2S 0.03882 -0.02241 -0.02988 -0.00008 0.00004 76 3S 0.01701 -0.00982 -0.01877 -0.00003 0.00002 77 4S 0.00097 -0.00056 -0.00044 0.00000 0.00000 78 5PX -0.00089 0.00084 0.00094 0.00000 0.00000 79 5PY 0.00084 0.00009 -0.00054 0.00000 0.00000 80 5PZ 0.00107 -0.00061 0.00051 0.00000 0.00000 81 6PX 0.00099 0.00033 0.00164 0.00000 0.00000 82 6PY 0.00033 0.00137 -0.00094 0.00000 0.00000 83 6PZ 0.00089 -0.00051 0.00242 0.00000 0.00000 84 7PX -0.00045 -0.00096 -0.00119 0.00000 0.00000 85 7PY -0.00096 -0.00155 0.00068 0.00000 0.00000 86 7PZ -0.00043 0.00025 -0.00095 0.00000 0.00000 87 8D 0 0.00014 -0.00008 0.00039 0.00000 0.00000 88 8D+1 -0.00012 0.00016 0.00009 0.00000 0.00000 89 8D-1 0.00016 0.00007 -0.00005 0.00000 0.00000 90 8D+2 -0.00015 -0.00022 -0.00022 0.00000 0.00000 91 8D-2 -0.00005 -0.00015 0.00038 0.00000 0.00000 92 9D 0 -0.00008 0.00005 0.00015 0.00000 0.00000 93 9D+1 0.00051 -0.00008 -0.00040 0.00000 0.00000 94 9D-1 -0.00008 0.00042 0.00023 0.00000 0.00000 95 9D+2 -0.00005 0.00036 0.00026 0.00000 0.00000 96 9D-2 0.00041 -0.00005 -0.00046 0.00000 0.00000 97 4 H 1S -0.02617 -0.01511 -0.01610 0.00005 0.00003 98 2S -0.03882 -0.02241 -0.02988 0.00008 0.00004 99 3S -0.01701 -0.00982 -0.01877 0.00003 0.00002 100 4S -0.00097 -0.00056 -0.00044 0.00000 0.00000 101 5PX -0.00089 -0.00084 -0.00094 0.00000 0.00000 102 5PY -0.00084 0.00009 -0.00054 0.00000 0.00000 103 5PZ -0.00107 -0.00061 0.00051 0.00000 0.00000 104 6PX 0.00099 -0.00033 -0.00164 0.00000 0.00000 105 6PY -0.00033 0.00137 -0.00094 0.00000 0.00000 106 6PZ -0.00089 -0.00051 0.00242 0.00000 0.00000 107 7PX -0.00045 0.00096 0.00119 0.00000 0.00000 108 7PY 0.00096 -0.00155 0.00068 0.00000 0.00000 109 7PZ 0.00043 0.00025 -0.00095 0.00000 0.00000 110 8D 0 -0.00014 -0.00008 0.00039 0.00000 0.00000 111 8D+1 -0.00012 -0.00016 -0.00009 0.00000 0.00000 112 8D-1 -0.00016 0.00007 -0.00005 0.00000 0.00000 113 8D+2 0.00015 -0.00022 -0.00022 0.00000 0.00000 114 8D-2 -0.00005 0.00015 -0.00038 0.00000 0.00000 115 9D 0 0.00008 0.00005 0.00015 0.00000 0.00000 116 9D+1 0.00051 0.00008 0.00040 0.00000 0.00000 117 9D-1 0.00008 0.00042 0.00023 0.00000 0.00000 118 9D+2 0.00005 0.00036 0.00026 0.00000 0.00000 119 9D-2 0.00041 0.00005 0.00046 0.00000 0.00000 21 22 23 24 25 21 11PZ 0.00049 22 12D 0 -0.00003 0.00001 23 12D+1 0.00000 0.00000 0.00476 24 12D-1 0.00000 0.00000 0.00000 0.00476 25 12D+2 0.00000 0.00000 0.00000 0.00357 0.00268 26 12D-2 0.00000 0.00000 0.00357 0.00000 0.00000 27 13D 0 -0.00003 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00387 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00387 0.00291 30 13D+2 0.00000 0.00000 0.00000 0.00296 0.00222 31 13D-2 0.00000 0.00000 0.00296 0.00000 0.00000 32 14D 0 -0.00021 0.00001 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00155 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00155 0.00116 35 14D+2 0.00000 0.00000 0.00000 0.00038 0.00029 36 14D-2 0.00000 0.00000 0.00038 0.00000 0.00000 37 15F 0 -0.00012 0.00001 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 -0.00036 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00036 -0.00027 40 15F+2 0.00000 0.00000 0.00000 -0.00130 -0.00098 41 15F-2 0.00000 0.00000 -0.00130 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00007 0.00000 0.00000 0.00000 0.00000 44 16F 0 -0.00003 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 -0.00034 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00034 -0.00025 47 16F+2 0.00000 0.00000 0.00000 -0.00023 -0.00017 48 16F-2 0.00000 0.00000 -0.00023 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.00001 0.00000 0.00000 0.00000 0.00000 51 2 H 1S -0.00080 0.00005 0.00000 -0.01077 -0.00808 52 2S -0.00159 0.00010 0.00000 -0.01596 -0.01199 53 3S -0.00115 0.00007 0.00000 -0.00700 -0.00525 54 4S -0.00001 0.00000 0.00000 -0.00040 -0.00030 55 5PX 0.00000 0.00000 -0.00020 0.00000 0.00000 56 5PY 0.00005 0.00000 0.00000 0.00049 0.00037 57 5PZ 0.00005 0.00000 0.00000 -0.00044 -0.00033 58 6PX 0.00000 0.00000 -0.00055 0.00000 0.00000 59 6PY 0.00008 0.00000 0.00000 -0.00029 -0.00021 60 6PZ 0.00020 -0.00001 0.00000 -0.00036 -0.00027 61 7PX 0.00000 0.00000 0.00075 0.00000 0.00000 62 7PY -0.00009 0.00001 0.00000 -0.00004 -0.00003 63 7PZ -0.00007 0.00000 0.00000 0.00018 0.00013 64 8D 0 0.00003 0.00000 0.00000 -0.00006 -0.00004 65 8D+1 0.00000 0.00000 -0.00006 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00008 0.00006 67 8D+2 0.00002 0.00000 0.00000 -0.00001 -0.00001 68 8D-2 0.00000 0.00000 0.00011 0.00000 0.00000 69 9D 0 0.00001 0.00000 0.00000 0.00003 0.00002 70 9D+1 0.00000 0.00000 -0.00013 0.00000 0.00000 71 9D-1 -0.00003 0.00000 0.00000 -0.00020 -0.00015 72 9D+2 -0.00003 0.00000 0.00000 -0.00016 -0.00012 73 9D-2 0.00000 0.00000 -0.00012 0.00000 0.00000 74 3 H 1S -0.00080 0.00005 -0.00933 0.00538 0.00404 75 2S -0.00159 0.00010 -0.01382 0.00798 0.00599 76 3S -0.00115 0.00007 -0.00606 0.00350 0.00263 77 4S -0.00001 0.00000 -0.00034 0.00020 0.00015 78 5PX 0.00004 0.00000 0.00032 -0.00030 -0.00023 79 5PY -0.00002 0.00000 -0.00030 -0.00003 -0.00002 80 5PZ 0.00005 0.00000 -0.00038 0.00022 0.00016 81 6PX 0.00007 0.00000 -0.00035 -0.00011 -0.00009 82 6PY -0.00004 0.00000 -0.00011 -0.00049 -0.00037 83 6PZ 0.00020 -0.00001 -0.00032 0.00018 0.00014 84 7PX -0.00008 0.00001 0.00016 0.00034 0.00026 85 7PY 0.00005 0.00000 0.00034 0.00055 0.00042 86 7PZ -0.00007 0.00000 0.00015 -0.00009 -0.00007 87 8D 0 0.00003 0.00000 -0.00005 0.00003 0.00002 88 8D+1 0.00000 0.00000 0.00004 -0.00006 -0.00004 89 8D-1 0.00000 0.00000 -0.00006 -0.00002 -0.00002 90 8D+2 -0.00001 0.00000 0.00005 0.00008 0.00006 91 8D-2 0.00002 0.00000 0.00002 0.00005 0.00004 92 9D 0 0.00001 0.00000 0.00003 -0.00002 -0.00001 93 9D+1 -0.00002 0.00000 -0.00018 0.00003 0.00002 94 9D-1 0.00001 0.00000 0.00003 -0.00015 -0.00011 95 9D+2 0.00002 0.00000 0.00002 -0.00013 -0.00010 96 9D-2 -0.00003 0.00000 -0.00015 0.00002 0.00001 97 4 H 1S -0.00080 0.00005 0.00933 0.00538 0.00404 98 2S -0.00159 0.00010 0.01382 0.00798 0.00599 99 3S -0.00115 0.00007 0.00606 0.00350 0.00263 100 4S -0.00001 0.00000 0.00034 0.00020 0.00015 101 5PX -0.00004 0.00000 0.00032 0.00030 0.00023 102 5PY -0.00002 0.00000 0.00030 -0.00003 -0.00002 103 5PZ 0.00005 0.00000 0.00038 0.00022 0.00016 104 6PX -0.00007 0.00000 -0.00035 0.00011 0.00009 105 6PY -0.00004 0.00000 0.00011 -0.00049 -0.00037 106 6PZ 0.00020 -0.00001 0.00032 0.00018 0.00014 107 7PX 0.00008 -0.00001 0.00016 -0.00034 -0.00026 108 7PY 0.00005 0.00000 -0.00034 0.00055 0.00042 109 7PZ -0.00007 0.00000 -0.00015 -0.00009 -0.00007 110 8D 0 0.00003 0.00000 0.00005 0.00003 0.00002 111 8D+1 0.00000 0.00000 0.00004 0.00006 0.00004 112 8D-1 0.00000 0.00000 0.00006 -0.00002 -0.00002 113 8D+2 -0.00001 0.00000 -0.00005 0.00008 0.00006 114 8D-2 -0.00002 0.00000 0.00002 -0.00005 -0.00004 115 9D 0 0.00001 0.00000 -0.00003 -0.00002 -0.00001 116 9D+1 0.00002 0.00000 -0.00018 -0.00003 -0.00002 117 9D-1 0.00001 0.00000 -0.00003 -0.00015 -0.00011 118 9D+2 0.00002 0.00000 -0.00002 -0.00013 -0.00010 119 9D-2 0.00003 0.00000 -0.00015 -0.00002 -0.00001 26 27 28 29 30 26 12D-2 0.00268 27 13D 0 0.00000 0.00001 28 13D+1 0.00291 0.00000 0.00316 29 13D-1 0.00000 0.00000 0.00000 0.00316 30 13D+2 0.00000 0.00000 0.00000 0.00242 0.00185 31 13D-2 0.00222 0.00000 0.00242 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00116 0.00000 0.00126 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00126 0.00096 35 14D+2 0.00000 0.00000 0.00000 0.00031 0.00024 36 14D-2 0.00029 0.00000 0.00031 0.00000 0.00000 37 15F 0 0.00000 -0.00002 0.00000 0.00000 0.00000 38 15F+1 -0.00027 0.00000 -0.00029 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00029 -0.00022 40 15F+2 0.00000 0.00000 0.00000 -0.00106 -0.00081 41 15F-2 -0.00098 0.00000 -0.00106 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00002 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00025 0.00000 -0.00027 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00027 -0.00021 47 16F+2 0.00000 0.00000 0.00000 -0.00019 -0.00014 48 16F-2 -0.00017 0.00000 -0.00019 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 -0.00001 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 -0.00019 0.00000 -0.00879 -0.00672 52 2S 0.00000 -0.00029 0.00000 -0.01304 -0.00996 53 3S 0.00000 -0.00008 0.00000 -0.00571 -0.00436 54 4S 0.00000 -0.00001 0.00000 -0.00032 -0.00025 55 5PX -0.00015 0.00000 -0.00017 0.00000 0.00000 56 5PY 0.00000 0.00002 0.00000 0.00040 0.00031 57 5PZ 0.00000 -0.00001 0.00000 -0.00036 -0.00027 58 6PX -0.00042 0.00000 -0.00045 0.00000 0.00000 59 6PY 0.00000 0.00003 0.00000 -0.00023 -0.00018 60 6PZ 0.00000 -0.00002 0.00000 -0.00030 -0.00023 61 7PX 0.00056 0.00000 0.00061 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 -0.00003 -0.00002 63 7PZ 0.00000 0.00001 0.00000 0.00015 0.00011 64 8D 0 0.00000 0.00000 0.00000 -0.00005 -0.00003 65 8D+1 -0.00004 0.00000 -0.00005 0.00000 0.00000 66 8D-1 0.00000 0.00001 0.00000 0.00006 0.00005 67 8D+2 0.00000 0.00000 0.00000 -0.00001 -0.00001 68 8D-2 0.00008 0.00000 0.00009 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00003 0.00002 70 9D+1 -0.00010 0.00000 -0.00011 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 -0.00016 -0.00012 72 9D+2 0.00000 0.00000 0.00000 -0.00013 -0.00010 73 9D-2 -0.00009 0.00000 -0.00009 0.00000 0.00000 74 3 H 1S -0.00700 -0.00019 -0.00761 0.00439 0.00336 75 2S -0.01038 -0.00029 -0.01130 0.00652 0.00498 76 3S -0.00455 -0.00008 -0.00495 0.00286 0.00218 77 4S -0.00026 -0.00001 -0.00028 0.00016 0.00012 78 5PX 0.00024 0.00001 0.00026 -0.00025 -0.00019 79 5PY -0.00023 -0.00001 -0.00025 -0.00003 -0.00002 80 5PZ -0.00028 -0.00001 -0.00031 0.00018 0.00014 81 6PX -0.00026 0.00002 -0.00029 -0.00010 -0.00007 82 6PY -0.00009 -0.00001 -0.00010 -0.00040 -0.00030 83 6PZ -0.00024 -0.00002 -0.00026 0.00015 0.00011 84 7PX 0.00012 0.00000 0.00013 0.00028 0.00021 85 7PY 0.00026 0.00000 0.00028 0.00045 0.00034 86 7PZ 0.00012 0.00001 0.00013 -0.00007 -0.00006 87 8D 0 -0.00004 0.00000 -0.00004 0.00002 0.00002 88 8D+1 0.00003 0.00001 0.00003 -0.00005 -0.00004 89 8D-1 -0.00004 0.00000 -0.00005 -0.00002 -0.00002 90 8D+2 0.00004 0.00000 0.00004 0.00007 0.00005 91 8D-2 0.00001 0.00000 0.00002 0.00004 0.00003 92 9D 0 0.00002 0.00000 0.00002 -0.00001 -0.00001 93 9D+1 -0.00014 0.00000 -0.00015 0.00002 0.00002 94 9D-1 0.00002 0.00000 0.00002 -0.00012 -0.00009 95 9D+2 0.00001 0.00000 0.00002 -0.00010 -0.00008 96 9D-2 -0.00011 0.00000 -0.00012 0.00002 0.00001 97 4 H 1S 0.00700 -0.00019 0.00761 0.00439 0.00336 98 2S 0.01038 -0.00029 0.01130 0.00652 0.00498 99 3S 0.00455 -0.00008 0.00495 0.00286 0.00218 100 4S 0.00026 -0.00001 0.00028 0.00016 0.00012 101 5PX 0.00024 -0.00001 0.00026 0.00025 0.00019 102 5PY 0.00023 -0.00001 0.00025 -0.00003 -0.00002 103 5PZ 0.00028 -0.00001 0.00031 0.00018 0.00014 104 6PX -0.00026 -0.00002 -0.00029 0.00010 0.00007 105 6PY 0.00009 -0.00001 0.00010 -0.00040 -0.00030 106 6PZ 0.00024 -0.00002 0.00026 0.00015 0.00011 107 7PX 0.00012 0.00000 0.00013 -0.00028 -0.00021 108 7PY -0.00026 0.00000 -0.00028 0.00045 0.00034 109 7PZ -0.00012 0.00001 -0.00013 -0.00007 -0.00006 110 8D 0 0.00004 0.00000 0.00004 0.00002 0.00002 111 8D+1 0.00003 -0.00001 0.00003 0.00005 0.00004 112 8D-1 0.00004 0.00000 0.00005 -0.00002 -0.00002 113 8D+2 -0.00004 0.00000 -0.00004 0.00007 0.00005 114 8D-2 0.00001 0.00000 0.00002 -0.00004 -0.00003 115 9D 0 -0.00002 0.00000 -0.00002 -0.00001 -0.00001 116 9D+1 -0.00014 0.00000 -0.00015 -0.00002 -0.00002 117 9D-1 -0.00002 0.00000 -0.00002 -0.00012 -0.00009 118 9D+2 -0.00001 0.00000 -0.00002 -0.00010 -0.00008 119 9D-2 -0.00011 0.00000 -0.00012 -0.00002 -0.00001 31 32 33 34 35 31 13D-2 0.00185 32 14D 0 0.00000 0.00010 33 14D+1 0.00096 0.00000 0.00050 34 14D-1 0.00000 0.00000 0.00000 0.00050 35 14D+2 0.00000 0.00000 0.00000 0.00012 0.00003 36 14D-2 0.00024 0.00000 0.00012 0.00000 0.00000 37 15F 0 0.00000 0.00009 0.00000 0.00000 0.00000 38 15F+1 -0.00022 0.00000 -0.00012 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 -0.00012 -0.00003 40 15F+2 0.00000 0.00000 0.00000 -0.00042 -0.00010 41 15F-2 -0.00081 0.00000 -0.00042 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 -0.00006 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00021 0.00000 -0.00011 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 -0.00011 -0.00003 47 16F+2 0.00000 0.00000 0.00000 -0.00007 -0.00002 48 16F-2 -0.00014 0.00000 -0.00007 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00001 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00064 0.00000 -0.00350 -0.00086 52 2S 0.00000 0.00116 0.00000 -0.00520 -0.00128 53 3S 0.00000 0.00067 0.00000 -0.00228 -0.00056 54 4S 0.00000 0.00002 0.00000 -0.00013 -0.00003 55 5PX -0.00013 0.00000 -0.00007 0.00000 0.00000 56 5PY 0.00000 -0.00005 0.00000 0.00016 0.00004 57 5PZ 0.00000 -0.00001 0.00000 -0.00014 -0.00004 58 6PX -0.00035 0.00000 -0.00018 0.00000 0.00000 59 6PY 0.00000 -0.00008 0.00000 -0.00009 -0.00002 60 6PZ 0.00000 -0.00007 0.00000 -0.00012 -0.00003 61 7PX 0.00047 0.00000 0.00024 0.00000 0.00000 62 7PY 0.00000 0.00005 0.00000 -0.00001 0.00000 63 7PZ 0.00000 0.00003 0.00000 0.00006 0.00001 64 8D 0 0.00000 -0.00001 0.00000 -0.00002 0.00000 65 8D+1 -0.00004 0.00000 -0.00002 0.00000 0.00000 66 8D-1 0.00000 -0.00001 0.00000 0.00002 0.00001 67 8D+2 0.00000 -0.00002 0.00000 0.00000 0.00000 68 8D-2 0.00007 0.00000 0.00004 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00001 0.00000 70 9D+1 -0.00008 0.00000 -0.00004 0.00000 0.00000 71 9D-1 0.00000 0.00002 0.00000 -0.00006 -0.00002 72 9D+2 0.00000 0.00002 0.00000 -0.00005 -0.00001 73 9D-2 -0.00007 0.00000 -0.00004 0.00000 0.00000 74 3 H 1S -0.00582 0.00064 -0.00303 0.00175 0.00043 75 2S -0.00863 0.00116 -0.00450 0.00260 0.00064 76 3S -0.00378 0.00067 -0.00197 0.00114 0.00028 77 4S -0.00021 0.00002 -0.00011 0.00006 0.00002 78 5PX 0.00020 -0.00004 0.00010 -0.00010 -0.00002 79 5PY -0.00019 0.00002 -0.00010 -0.00001 0.00000 80 5PZ -0.00024 -0.00001 -0.00012 0.00007 0.00002 81 6PX -0.00022 -0.00007 -0.00011 -0.00004 -0.00001 82 6PY -0.00007 0.00004 -0.00004 -0.00016 -0.00004 83 6PZ -0.00020 -0.00007 -0.00010 0.00006 0.00001 84 7PX 0.00010 0.00004 0.00005 0.00011 0.00003 85 7PY 0.00021 -0.00002 0.00011 0.00018 0.00004 86 7PZ 0.00010 0.00003 0.00005 -0.00003 -0.00001 87 8D 0 -0.00003 -0.00001 -0.00002 0.00001 0.00000 88 8D+1 0.00003 -0.00001 0.00001 -0.00002 0.00000 89 8D-1 -0.00004 0.00000 -0.00002 -0.00001 0.00000 90 8D+2 0.00003 0.00001 0.00002 0.00003 0.00001 91 8D-2 0.00001 -0.00002 0.00001 0.00002 0.00000 92 9D 0 0.00002 0.00000 0.00001 -0.00001 0.00000 93 9D+1 -0.00011 0.00002 -0.00006 0.00001 0.00000 94 9D-1 0.00002 -0.00001 0.00001 -0.00005 -0.00001 95 9D+2 0.00001 -0.00001 0.00001 -0.00004 -0.00001 96 9D-2 -0.00009 0.00002 -0.00005 0.00001 0.00000 97 4 H 1S 0.00582 0.00064 0.00303 0.00175 0.00043 98 2S 0.00863 0.00116 0.00450 0.00260 0.00064 99 3S 0.00378 0.00067 0.00197 0.00114 0.00028 100 4S 0.00021 0.00002 0.00011 0.00006 0.00002 101 5PX 0.00020 0.00004 0.00010 0.00010 0.00002 102 5PY 0.00019 0.00002 0.00010 -0.00001 0.00000 103 5PZ 0.00024 -0.00001 0.00012 0.00007 0.00002 104 6PX -0.00022 0.00007 -0.00011 0.00004 0.00001 105 6PY 0.00007 0.00004 0.00004 -0.00016 -0.00004 106 6PZ 0.00020 -0.00007 0.00010 0.00006 0.00001 107 7PX 0.00010 -0.00004 0.00005 -0.00011 -0.00003 108 7PY -0.00021 -0.00002 -0.00011 0.00018 0.00004 109 7PZ -0.00010 0.00003 -0.00005 -0.00003 -0.00001 110 8D 0 0.00003 -0.00001 0.00002 0.00001 0.00000 111 8D+1 0.00003 0.00001 0.00001 0.00002 0.00000 112 8D-1 0.00004 0.00000 0.00002 -0.00001 0.00000 113 8D+2 -0.00003 0.00001 -0.00002 0.00003 0.00001 114 8D-2 0.00001 0.00002 0.00001 -0.00002 0.00000 115 9D 0 -0.00002 0.00000 -0.00001 -0.00001 0.00000 116 9D+1 -0.00011 -0.00002 -0.00006 -0.00001 0.00000 117 9D-1 -0.00002 -0.00001 -0.00001 -0.00005 -0.00001 118 9D+2 -0.00001 -0.00001 -0.00001 -0.00004 -0.00001 119 9D-2 -0.00009 -0.00002 -0.00005 -0.00001 0.00000 36 37 38 39 40 36 14D-2 0.00003 37 15F 0 0.00000 0.00012 38 15F+1 -0.00003 0.00000 0.00003 39 15F-1 0.00000 0.00000 0.00000 0.00003 40 15F+2 0.00000 0.00000 0.00000 0.00010 0.00036 41 15F-2 -0.00010 0.00000 0.00010 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 -0.00011 0.00000 0.00000 0.00000 44 16F 0 0.00000 -0.00001 0.00000 0.00000 0.00000 45 16F+1 -0.00003 0.00000 0.00003 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00003 0.00009 47 16F+2 0.00000 0.00000 0.00000 0.00002 0.00006 48 16F-2 -0.00002 0.00000 0.00002 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00002 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00104 0.00000 0.00081 0.00295 52 2S 0.00000 0.00174 0.00000 0.00120 0.00438 53 3S 0.00000 0.00080 0.00000 0.00052 0.00192 54 4S 0.00000 0.00004 0.00000 0.00003 0.00011 55 5PX -0.00002 0.00000 0.00002 0.00000 0.00000 56 5PY 0.00000 -0.00008 0.00000 -0.00004 -0.00013 57 5PZ 0.00000 0.00002 0.00000 0.00003 0.00012 58 6PX -0.00004 0.00000 0.00004 0.00000 0.00000 59 6PY 0.00000 -0.00014 0.00000 0.00002 0.00008 60 6PZ 0.00000 0.00000 0.00000 0.00003 0.00010 61 7PX 0.00006 0.00000 -0.00006 0.00000 0.00000 62 7PY 0.00000 0.00004 0.00000 0.00000 0.00001 63 7PZ 0.00000 0.00001 0.00000 -0.00001 -0.00005 64 8D 0 0.00000 -0.00001 0.00000 0.00000 0.00002 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00002 0.00000 -0.00001 -0.00002 67 8D+2 0.00000 -0.00003 0.00000 0.00000 0.00000 68 8D-2 0.00001 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 -0.00001 70 9D+1 -0.00001 0.00000 0.00001 0.00000 0.00000 71 9D-1 0.00000 0.00003 0.00000 0.00001 0.00005 72 9D+2 0.00000 0.00003 0.00000 0.00001 0.00004 73 9D-2 -0.00001 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00075 0.00104 0.00070 -0.00040 -0.00148 75 2S -0.00111 0.00174 0.00104 -0.00060 -0.00219 76 3S -0.00049 0.00080 0.00045 -0.00026 -0.00096 77 4S -0.00003 0.00004 0.00003 -0.00001 -0.00005 78 5PX 0.00003 -0.00007 -0.00002 0.00002 0.00008 79 5PY -0.00002 0.00004 0.00002 0.00000 0.00001 80 5PZ -0.00003 0.00002 0.00003 -0.00002 -0.00006 81 6PX -0.00003 -0.00012 0.00003 0.00001 0.00003 82 6PY -0.00001 0.00007 0.00001 0.00004 0.00013 83 6PZ -0.00003 0.00000 0.00002 -0.00001 -0.00005 84 7PX 0.00001 0.00003 -0.00001 -0.00003 -0.00009 85 7PY 0.00003 -0.00002 -0.00003 -0.00004 -0.00015 86 7PZ 0.00001 0.00001 -0.00001 0.00001 0.00002 87 8D 0 0.00000 -0.00001 0.00000 0.00000 -0.00001 88 8D+1 0.00000 -0.00002 0.00000 0.00000 0.00002 89 8D-1 0.00000 0.00001 0.00000 0.00000 0.00001 90 8D+2 0.00000 0.00001 0.00000 -0.00001 -0.00002 91 8D-2 0.00000 -0.00002 0.00000 0.00000 -0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00001 0.00002 0.00001 0.00000 -0.00001 94 9D-1 0.00000 -0.00001 0.00000 0.00001 0.00004 95 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00003 96 9D-2 -0.00001 0.00002 0.00001 0.00000 -0.00001 97 4 H 1S 0.00075 0.00104 -0.00070 -0.00040 -0.00148 98 2S 0.00111 0.00174 -0.00104 -0.00060 -0.00219 99 3S 0.00049 0.00080 -0.00045 -0.00026 -0.00096 100 4S 0.00003 0.00004 -0.00003 -0.00001 -0.00005 101 5PX 0.00003 0.00007 -0.00002 -0.00002 -0.00008 102 5PY 0.00002 0.00004 -0.00002 0.00000 0.00001 103 5PZ 0.00003 0.00002 -0.00003 -0.00002 -0.00006 104 6PX -0.00003 0.00012 0.00003 -0.00001 -0.00003 105 6PY 0.00001 0.00007 -0.00001 0.00004 0.00013 106 6PZ 0.00003 0.00000 -0.00002 -0.00001 -0.00005 107 7PX 0.00001 -0.00003 -0.00001 0.00003 0.00009 108 7PY -0.00003 -0.00002 0.00003 -0.00004 -0.00015 109 7PZ -0.00001 0.00001 0.00001 0.00001 0.00002 110 8D 0 0.00000 -0.00001 0.00000 0.00000 -0.00001 111 8D+1 0.00000 0.00002 0.00000 0.00000 -0.00002 112 8D-1 0.00000 0.00001 0.00000 0.00000 0.00001 113 8D+2 0.00000 0.00001 0.00000 -0.00001 -0.00002 114 8D-2 0.00000 0.00002 0.00000 0.00000 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 -0.00002 0.00001 0.00000 0.00001 117 9D-1 0.00000 -0.00001 0.00000 0.00001 0.00004 118 9D+2 0.00000 -0.00001 0.00000 0.00001 0.00003 119 9D-2 -0.00001 -0.00002 0.00001 0.00000 0.00001 41 42 43 44 45 41 15F-2 0.00036 42 15F+3 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00010 44 16F 0 0.00000 0.00000 0.00001 0.00000 45 16F+1 0.00009 0.00000 0.00000 0.00000 0.00002 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00006 0.00000 0.00000 0.00000 0.00002 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.00002 0.00000 0.00000 51 2 H 1S 0.00000 0.00000 -0.00097 -0.00008 0.00000 52 2S 0.00000 0.00000 -0.00159 -0.00010 0.00000 53 3S 0.00000 0.00000 -0.00068 0.00000 0.00000 54 4S 0.00000 0.00000 -0.00004 -0.00001 0.00000 55 5PX 0.00006 0.00000 0.00000 0.00000 0.00001 56 5PY 0.00000 0.00000 0.00008 0.00001 0.00000 57 5PZ 0.00000 0.00000 -0.00002 -0.00001 0.00000 58 6PX 0.00015 0.00000 0.00000 0.00000 0.00004 59 6PY 0.00000 0.00000 0.00013 0.00001 0.00000 60 6PZ 0.00000 0.00000 -0.00002 -0.00002 0.00000 61 7PX -0.00021 0.00000 0.00000 0.00000 -0.00005 62 7PY 0.00000 0.00000 -0.00003 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00001 0.00000 64 8D 0 0.00000 0.00000 0.00001 0.00000 0.00000 65 8D+1 0.00002 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00002 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00003 0.00000 0.00000 68 8D-2 -0.00003 0.00000 0.00000 0.00000 -0.00001 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00004 0.00000 0.00000 0.00000 0.00001 71 9D-1 0.00000 0.00000 -0.00002 0.00000 0.00000 72 9D+2 0.00000 0.00000 -0.00002 0.00000 0.00000 73 9D-2 0.00003 0.00000 0.00000 0.00000 0.00001 74 3 H 1S 0.00256 0.00000 -0.00097 -0.00008 0.00065 75 2S 0.00380 0.00000 -0.00159 -0.00010 0.00097 76 3S 0.00166 0.00000 -0.00068 0.00000 0.00042 77 4S 0.00009 0.00000 -0.00004 -0.00001 0.00002 78 5PX -0.00009 0.00000 0.00007 0.00001 -0.00002 79 5PY 0.00008 0.00000 -0.00004 0.00000 0.00002 80 5PZ 0.00010 0.00000 -0.00002 -0.00001 0.00003 81 6PX 0.00010 0.00000 0.00012 0.00001 0.00003 82 6PY 0.00003 0.00000 -0.00007 -0.00001 0.00001 83 6PZ 0.00009 0.00000 -0.00002 -0.00002 0.00002 84 7PX -0.00004 0.00000 -0.00003 0.00000 -0.00001 85 7PY -0.00009 0.00000 0.00002 0.00000 -0.00002 86 7PZ -0.00004 0.00000 0.00000 0.00001 -0.00001 87 8D 0 0.00001 0.00000 0.00001 0.00000 0.00000 88 8D+1 -0.00001 0.00000 0.00002 0.00000 0.00000 89 8D-1 0.00002 0.00000 -0.00001 0.00000 0.00000 90 8D+2 -0.00001 0.00000 -0.00001 0.00000 0.00000 91 8D-2 -0.00001 0.00000 0.00002 0.00000 0.00000 92 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00005 0.00000 -0.00002 0.00000 0.00001 94 9D-1 -0.00001 0.00000 0.00001 0.00000 0.00000 95 9D+2 -0.00001 0.00000 0.00001 0.00000 0.00000 96 9D-2 0.00004 0.00000 -0.00002 0.00000 0.00001 97 4 H 1S -0.00256 0.00000 -0.00097 -0.00008 -0.00065 98 2S -0.00380 0.00000 -0.00159 -0.00010 -0.00097 99 3S -0.00166 0.00000 -0.00068 0.00000 -0.00042 100 4S -0.00009 0.00000 -0.00004 -0.00001 -0.00002 101 5PX -0.00009 0.00000 -0.00007 -0.00001 -0.00002 102 5PY -0.00008 0.00000 -0.00004 0.00000 -0.00002 103 5PZ -0.00010 0.00000 -0.00002 -0.00001 -0.00003 104 6PX 0.00010 0.00000 -0.00012 -0.00001 0.00003 105 6PY -0.00003 0.00000 -0.00007 -0.00001 -0.00001 106 6PZ -0.00009 0.00000 -0.00002 -0.00002 -0.00002 107 7PX -0.00004 0.00000 0.00003 0.00000 -0.00001 108 7PY 0.00009 0.00000 0.00002 0.00000 0.00002 109 7PZ 0.00004 0.00000 0.00000 0.00001 0.00001 110 8D 0 -0.00001 0.00000 0.00001 0.00000 0.00000 111 8D+1 -0.00001 0.00000 -0.00002 0.00000 0.00000 112 8D-1 -0.00002 0.00000 -0.00001 0.00000 0.00000 113 8D+2 0.00001 0.00000 -0.00001 0.00000 0.00000 114 8D-2 -0.00001 0.00000 -0.00002 0.00000 0.00000 115 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00005 0.00000 0.00002 0.00000 0.00001 117 9D-1 0.00001 0.00000 0.00001 0.00000 0.00000 118 9D+2 0.00001 0.00000 0.00001 0.00000 0.00000 119 9D-2 0.00004 0.00000 0.00002 0.00000 0.00001 46 47 48 49 50 46 16F-1 0.00002 47 16F+2 0.00002 0.00001 48 16F-2 0.00000 0.00000 0.00001 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00076 0.00052 0.00000 0.00000 0.00020 52 2S 0.00112 0.00077 0.00000 0.00000 0.00033 53 3S 0.00049 0.00034 0.00000 0.00000 0.00013 54 4S 0.00003 0.00002 0.00000 0.00000 0.00001 55 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 56 5PY -0.00003 -0.00002 0.00000 0.00000 -0.00002 57 5PZ 0.00003 0.00002 0.00000 0.00000 0.00001 58 6PX 0.00000 0.00000 0.00003 0.00000 0.00000 59 6PY 0.00002 0.00001 0.00000 0.00000 -0.00003 60 6PZ 0.00003 0.00002 0.00000 0.00000 0.00001 61 7PX 0.00000 0.00000 -0.00004 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ -0.00001 -0.00001 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 -0.00001 68 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 71 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 72 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00038 -0.00026 0.00045 0.00000 0.00020 75 2S -0.00056 -0.00038 0.00067 0.00000 0.00033 76 3S -0.00025 -0.00017 0.00029 0.00000 0.00013 77 4S -0.00001 -0.00001 0.00002 0.00000 0.00001 78 5PX 0.00002 0.00001 -0.00002 0.00000 -0.00001 79 5PY 0.00000 0.00000 0.00001 0.00000 0.00001 80 5PZ -0.00002 -0.00001 0.00002 0.00000 0.00001 81 6PX 0.00001 0.00001 0.00002 0.00000 -0.00002 82 6PY 0.00003 0.00002 0.00001 0.00000 0.00001 83 6PZ -0.00001 -0.00001 0.00002 0.00000 0.00001 84 7PX -0.00002 -0.00002 -0.00001 0.00000 0.00000 85 7PY -0.00004 -0.00003 -0.00002 0.00000 0.00000 86 7PZ 0.00001 0.00000 -0.00001 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 94 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 95 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 97 4 H 1S -0.00038 -0.00026 -0.00045 0.00000 0.00020 98 2S -0.00056 -0.00038 -0.00067 0.00000 0.00033 99 3S -0.00025 -0.00017 -0.00029 0.00000 0.00013 100 4S -0.00001 -0.00001 -0.00002 0.00000 0.00001 101 5PX -0.00002 -0.00001 -0.00002 0.00000 0.00001 102 5PY 0.00000 0.00000 -0.00001 0.00000 0.00001 103 5PZ -0.00002 -0.00001 -0.00002 0.00000 0.00001 104 6PX -0.00001 -0.00001 0.00002 0.00000 0.00002 105 6PY 0.00003 0.00002 -0.00001 0.00000 0.00001 106 6PZ -0.00001 -0.00001 -0.00002 0.00000 0.00001 107 7PX 0.00002 0.00002 -0.00001 0.00000 0.00000 108 7PY -0.00004 -0.00003 0.00002 0.00000 0.00000 109 7PZ 0.00001 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 117 9D-1 0.00001 0.00001 0.00000 0.00000 0.00000 118 9D+2 0.00001 0.00001 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 51 52 53 54 55 51 2 H 1S 0.03350 52 2S 0.05128 0.07888 53 3S 0.02247 0.03484 0.01589 54 4S 0.00128 0.00196 0.00084 0.00005 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00001 56 5PY -0.00184 -0.00285 -0.00123 -0.00007 0.00000 57 5PZ 0.00120 0.00177 0.00070 0.00005 0.00000 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00002 59 6PY -0.00061 -0.00112 -0.00046 -0.00003 0.00000 60 6PZ 0.00093 0.00128 0.00033 0.00004 0.00000 61 7PX 0.00000 0.00000 0.00000 0.00000 -0.00003 62 7PY 0.00039 0.00067 0.00036 0.00001 0.00000 63 7PZ -0.00035 -0.00047 -0.00013 -0.00002 0.00000 64 8D 0 0.00001 -0.00001 -0.00002 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 -0.00037 -0.00057 -0.00023 -0.00002 0.00000 67 8D+2 -0.00021 -0.00036 -0.00016 -0.00001 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 -0.00007 -0.00011 -0.00006 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 71 9D-1 0.00067 0.00103 0.00046 0.00003 0.00000 72 9D+2 0.00057 0.00090 0.00041 0.00002 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00001 74 3 H 1S -0.00313 -0.00307 -0.00133 -0.00007 0.00040 75 2S -0.00307 -0.00178 -0.00049 -0.00004 0.00060 76 3S -0.00133 -0.00049 0.00041 -0.00004 0.00026 77 4S -0.00007 -0.00004 -0.00004 0.00000 0.00001 78 5PX 0.00005 -0.00003 0.00000 0.00000 -0.00001 79 5PY 0.00044 0.00071 0.00030 0.00002 0.00001 80 5PZ -0.00029 -0.00044 -0.00027 -0.00001 0.00002 81 6PX -0.00083 -0.00140 -0.00059 -0.00004 0.00002 82 6PY 0.00173 0.00268 0.00116 0.00007 0.00000 83 6PZ -0.00031 -0.00058 -0.00048 0.00000 0.00001 84 7PX -0.00051 -0.00067 -0.00023 -0.00002 -0.00001 85 7PY -0.00141 -0.00213 -0.00097 -0.00005 -0.00001 86 7PZ 0.00025 0.00043 0.00026 0.00001 -0.00001 87 8D 0 -0.00018 -0.00029 -0.00015 -0.00001 0.00000 88 8D+1 -0.00004 -0.00008 -0.00002 0.00000 0.00000 89 8D-1 0.00015 0.00024 0.00009 0.00001 0.00000 90 8D+2 -0.00006 -0.00007 -0.00003 0.00000 0.00000 91 8D-2 -0.00033 -0.00052 -0.00023 -0.00001 0.00000 92 9D 0 0.00004 0.00005 0.00001 0.00000 0.00000 93 9D+1 0.00012 0.00022 0.00010 0.00001 0.00001 94 9D-1 0.00023 0.00032 0.00014 0.00001 0.00000 95 9D+2 0.00018 0.00024 0.00010 0.00001 0.00000 96 9D-2 0.00014 0.00025 0.00012 0.00001 0.00001 97 4 H 1S -0.00313 -0.00307 -0.00133 -0.00007 -0.00040 98 2S -0.00307 -0.00178 -0.00049 -0.00004 -0.00060 99 3S -0.00133 -0.00049 0.00041 -0.00004 -0.00026 100 4S -0.00007 -0.00004 -0.00004 0.00000 -0.00001 101 5PX -0.00005 0.00003 0.00000 0.00000 -0.00001 102 5PY 0.00044 0.00071 0.00030 0.00002 -0.00001 103 5PZ -0.00029 -0.00044 -0.00027 -0.00001 -0.00002 104 6PX 0.00083 0.00140 0.00059 0.00004 0.00002 105 6PY 0.00173 0.00268 0.00116 0.00007 0.00000 106 6PZ -0.00031 -0.00058 -0.00048 0.00000 -0.00001 107 7PX 0.00051 0.00067 0.00023 0.00002 -0.00001 108 7PY -0.00141 -0.00213 -0.00097 -0.00005 0.00001 109 7PZ 0.00025 0.00043 0.00026 0.00001 0.00001 110 8D 0 -0.00018 -0.00029 -0.00015 -0.00001 0.00000 111 8D+1 0.00004 0.00008 0.00002 0.00000 0.00000 112 8D-1 0.00015 0.00024 0.00009 0.00001 0.00000 113 8D+2 -0.00006 -0.00007 -0.00003 0.00000 0.00000 114 8D-2 0.00033 0.00052 0.00023 0.00001 0.00000 115 9D 0 0.00004 0.00005 0.00001 0.00000 0.00000 116 9D+1 -0.00012 -0.00022 -0.00010 -0.00001 0.00001 117 9D-1 0.00023 0.00032 0.00014 0.00001 0.00000 118 9D+2 0.00018 0.00024 0.00010 0.00001 0.00000 119 9D-2 -0.00014 -0.00025 -0.00012 -0.00001 0.00001 56 57 58 59 60 56 5PY 0.00011 57 5PZ -0.00006 0.00006 58 6PX 0.00000 0.00000 0.00007 59 6PY 0.00007 -0.00001 0.00000 0.00020 60 6PZ -0.00005 0.00007 0.00000 -0.00001 0.00013 61 7PX 0.00000 0.00000 -0.00009 0.00000 0.00000 62 7PY -0.00003 0.00000 0.00000 -0.00004 -0.00003 63 7PZ 0.00002 -0.00003 0.00000 -0.00001 -0.00005 64 8D 0 0.00000 0.00001 0.00000 0.00002 0.00001 65 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000 66 8D-1 0.00002 -0.00001 0.00000 0.00002 -0.00002 67 8D+2 0.00002 0.00000 0.00000 0.00003 0.00000 68 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00002 0.00000 0.00000 71 9D-1 -0.00004 0.00002 0.00000 -0.00002 0.00001 72 9D+2 -0.00003 0.00002 0.00000 -0.00002 0.00001 73 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 74 3 H 1S -0.00018 -0.00029 0.00109 -0.00158 -0.00031 75 2S -0.00038 -0.00044 0.00162 -0.00255 -0.00058 76 3S -0.00015 -0.00027 0.00071 -0.00109 -0.00048 77 4S -0.00001 -0.00001 0.00004 -0.00007 0.00000 78 5PX 0.00002 0.00001 -0.00004 0.00011 0.00001 79 5PY -0.00003 0.00001 0.00004 -0.00005 0.00001 80 5PZ 0.00000 0.00000 0.00004 -0.00005 0.00002 81 6PX 0.00008 -0.00002 0.00004 0.00016 -0.00001 82 6PY -0.00010 0.00006 0.00001 -0.00006 0.00005 83 6PZ 0.00000 0.00002 0.00004 -0.00004 0.00009 84 7PX 0.00002 -0.00004 -0.00002 -0.00005 -0.00005 85 7PY 0.00007 -0.00005 -0.00004 -0.00001 -0.00003 86 7PZ -0.00001 0.00000 -0.00002 0.00000 -0.00003 87 8D 0 0.00001 0.00000 0.00001 0.00001 0.00000 88 8D+1 0.00001 0.00000 0.00000 0.00003 -0.00001 89 8D-1 -0.00001 0.00001 0.00001 -0.00001 0.00001 90 8D+2 0.00000 0.00000 -0.00001 -0.00002 -0.00001 91 8D-2 0.00002 -0.00001 0.00000 0.00003 -0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 93 9D+1 -0.00001 0.00000 0.00002 -0.00003 0.00000 94 9D-1 -0.00001 0.00001 0.00000 0.00002 0.00001 95 9D+2 0.00000 0.00001 0.00000 0.00002 0.00001 96 9D-2 -0.00001 0.00000 0.00002 -0.00003 0.00000 97 4 H 1S -0.00018 -0.00029 -0.00109 -0.00158 -0.00031 98 2S -0.00038 -0.00044 -0.00162 -0.00255 -0.00058 99 3S -0.00015 -0.00027 -0.00071 -0.00109 -0.00048 100 4S -0.00001 -0.00001 -0.00004 -0.00007 0.00000 101 5PX -0.00002 -0.00001 -0.00004 -0.00011 -0.00001 102 5PY -0.00003 0.00001 -0.00004 -0.00005 0.00001 103 5PZ 0.00000 0.00000 -0.00004 -0.00005 0.00002 104 6PX -0.00008 0.00002 0.00004 -0.00016 0.00001 105 6PY -0.00010 0.00006 -0.00001 -0.00006 0.00005 106 6PZ 0.00000 0.00002 -0.00004 -0.00004 0.00009 107 7PX -0.00002 0.00004 -0.00002 0.00005 0.00005 108 7PY 0.00007 -0.00005 0.00004 -0.00001 -0.00003 109 7PZ -0.00001 0.00000 0.00002 0.00000 -0.00003 110 8D 0 0.00001 0.00000 -0.00001 0.00001 0.00000 111 8D+1 -0.00001 0.00000 0.00000 -0.00003 0.00001 112 8D-1 -0.00001 0.00001 -0.00001 -0.00001 0.00001 113 8D+2 0.00000 0.00000 0.00001 -0.00002 -0.00001 114 8D-2 -0.00002 0.00001 0.00000 -0.00003 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00001 116 9D+1 0.00001 0.00000 0.00002 0.00003 0.00000 117 9D-1 -0.00001 0.00001 0.00000 0.00002 0.00001 118 9D+2 0.00000 0.00001 0.00000 0.00002 0.00001 119 9D-2 0.00001 0.00000 0.00002 0.00003 0.00000 61 62 63 64 65 61 7PX 0.00012 62 7PY 0.00000 0.00002 63 7PZ 0.00000 0.00001 0.00002 64 8D 0 0.00000 -0.00001 -0.00001 0.00000 65 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 68 8D-2 0.00002 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 -0.00002 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00001 -0.00001 0.00000 0.00000 72 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 73 9D-2 -0.00002 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.00147 0.00026 0.00025 -0.00018 0.00011 75 2S -0.00218 0.00048 0.00043 -0.00029 0.00017 76 3S -0.00096 0.00028 0.00026 -0.00015 0.00007 77 4S -0.00005 0.00001 0.00001 -0.00001 0.00000 78 5PX 0.00005 -0.00002 -0.00001 0.00001 0.00000 79 5PY -0.00005 0.00001 0.00000 0.00000 0.00000 80 5PZ -0.00006 -0.00001 0.00000 0.00000 0.00000 81 6PX -0.00006 -0.00003 -0.00001 0.00001 0.00000 82 6PY -0.00002 0.00002 -0.00002 0.00000 0.00000 83 6PZ -0.00005 -0.00003 -0.00003 0.00000 0.00000 84 7PX 0.00003 0.00002 0.00002 -0.00001 0.00000 85 7PY 0.00005 -0.00001 0.00001 0.00000 0.00000 86 7PZ 0.00002 0.00001 0.00001 0.00000 0.00000 87 8D 0 -0.00001 -0.00001 0.00000 0.00000 0.00000 88 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 89 8D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 -0.00001 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00003 0.00001 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 95 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 96 9D-2 -0.00002 0.00001 0.00000 0.00000 0.00000 97 4 H 1S 0.00147 0.00026 0.00025 -0.00018 -0.00011 98 2S 0.00218 0.00048 0.00043 -0.00029 -0.00017 99 3S 0.00096 0.00028 0.00026 -0.00015 -0.00007 100 4S 0.00005 0.00001 0.00001 -0.00001 0.00000 101 5PX 0.00005 0.00002 0.00001 -0.00001 0.00000 102 5PY 0.00005 0.00001 0.00000 0.00000 0.00000 103 5PZ 0.00006 -0.00001 0.00000 0.00000 0.00000 104 6PX -0.00006 0.00003 0.00001 -0.00001 0.00000 105 6PY 0.00002 0.00002 -0.00002 0.00000 0.00000 106 6PZ 0.00005 -0.00003 -0.00003 0.00000 0.00000 107 7PX 0.00003 -0.00002 -0.00002 0.00001 0.00000 108 7PY -0.00005 -0.00001 0.00001 0.00000 0.00000 109 7PZ -0.00002 0.00001 0.00001 0.00000 0.00000 110 8D 0 0.00001 -0.00001 0.00000 0.00000 0.00000 111 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00001 0.00000 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00001 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00003 -0.00001 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 118 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 119 9D-2 -0.00002 -0.00001 0.00000 0.00000 0.00000 66 67 68 69 70 66 8D-1 0.00001 67 8D+2 0.00000 0.00001 68 8D-2 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 -0.00001 -0.00001 0.00000 0.00000 0.00000 72 9D+2 -0.00001 -0.00001 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.00011 -0.00025 -0.00022 0.00004 0.00026 75 2S -0.00019 -0.00042 -0.00032 0.00005 0.00038 76 3S -0.00006 -0.00018 -0.00014 0.00001 0.00017 77 4S -0.00001 -0.00001 -0.00001 0.00000 0.00001 78 5PX 0.00001 0.00002 0.00001 0.00000 -0.00001 79 5PY -0.00001 -0.00001 -0.00001 0.00000 0.00001 80 5PZ 0.00000 -0.00001 -0.00001 0.00000 0.00001 81 6PX 0.00002 0.00003 -0.00001 0.00000 0.00001 82 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000 83 6PZ -0.00001 0.00000 -0.00001 0.00001 0.00001 84 7PX 0.00000 -0.00001 0.00000 0.00000 0.00000 85 7PY 0.00001 0.00000 0.00001 0.00000 -0.00001 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00001 0.00001 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 -0.00001 0.00000 0.00000 0.00001 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 -0.00001 0.00000 0.00000 0.00000 97 4 H 1S -0.00011 -0.00025 0.00022 0.00004 -0.00026 98 2S -0.00019 -0.00042 0.00032 0.00005 -0.00038 99 3S -0.00006 -0.00018 0.00014 0.00001 -0.00017 100 4S -0.00001 -0.00001 0.00001 0.00000 -0.00001 101 5PX -0.00001 -0.00002 0.00001 0.00000 -0.00001 102 5PY -0.00001 -0.00001 0.00001 0.00000 -0.00001 103 5PZ 0.00000 -0.00001 0.00001 0.00000 -0.00001 104 6PX -0.00002 -0.00003 -0.00001 0.00000 0.00001 105 6PY -0.00002 -0.00002 0.00000 0.00000 0.00000 106 6PZ -0.00001 0.00000 0.00001 0.00001 -0.00001 107 7PX 0.00000 0.00001 0.00000 0.00000 0.00000 108 7PY 0.00001 0.00000 -0.00001 0.00000 0.00001 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 -0.00001 -0.00001 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00001 0.00000 0.00000 0.00001 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00001 0.00000 0.00000 0.00000 71 72 73 74 75 71 9D-1 0.00001 72 9D+2 0.00001 0.00001 73 9D-2 0.00000 0.00000 0.00000 74 3 H 1S -0.00001 0.00003 0.00023 0.03350 75 2S 0.00003 0.00009 0.00034 0.05128 0.07888 76 3S 0.00002 0.00005 0.00015 0.02247 0.03484 77 4S 0.00000 0.00000 0.00001 0.00128 0.00196 78 5PX 0.00000 0.00000 -0.00001 -0.00160 -0.00247 79 5PY 0.00001 0.00001 0.00001 0.00092 0.00143 80 5PZ -0.00001 0.00000 0.00001 0.00120 0.00177 81 6PX -0.00002 -0.00002 0.00001 -0.00053 -0.00097 82 6PY 0.00004 0.00003 0.00000 0.00031 0.00056 83 6PZ -0.00001 -0.00001 0.00001 0.00093 0.00128 84 7PX -0.00001 0.00000 0.00000 0.00034 0.00058 85 7PY -0.00003 -0.00002 -0.00001 -0.00019 -0.00034 86 7PZ 0.00001 0.00001 0.00000 -0.00035 -0.00047 87 8D 0 0.00000 0.00000 0.00000 0.00001 -0.00001 88 8D+1 0.00000 0.00000 0.00000 -0.00032 -0.00049 89 8D-1 0.00000 0.00000 0.00000 0.00018 0.00028 90 8D+2 0.00000 0.00000 0.00000 0.00011 0.00018 91 8D-2 -0.00001 -0.00001 0.00000 -0.00018 -0.00031 92 9D 0 0.00000 0.00000 0.00000 -0.00007 -0.00011 93 9D+1 0.00000 0.00000 0.00000 0.00058 0.00089 94 9D-1 0.00000 0.00000 0.00000 -0.00033 -0.00052 95 9D+2 0.00000 0.00000 0.00000 -0.00029 -0.00045 96 9D-2 0.00000 0.00000 0.00000 0.00050 0.00078 97 4 H 1S -0.00001 0.00003 -0.00023 -0.00313 -0.00307 98 2S 0.00003 0.00009 -0.00034 -0.00307 -0.00178 99 3S 0.00002 0.00005 -0.00015 -0.00133 -0.00049 100 4S 0.00000 0.00000 -0.00001 -0.00007 -0.00004 101 5PX 0.00000 0.00000 -0.00001 0.00035 0.00063 102 5PY 0.00001 0.00001 -0.00001 -0.00026 -0.00033 103 5PZ -0.00001 0.00000 -0.00001 -0.00029 -0.00044 104 6PX 0.00002 0.00002 0.00001 0.00191 0.00302 105 6PY 0.00004 0.00003 0.00000 -0.00015 -0.00013 106 6PZ -0.00001 -0.00001 -0.00001 -0.00031 -0.00058 107 7PX 0.00001 0.00000 0.00000 -0.00096 -0.00151 108 7PY -0.00003 -0.00002 0.00001 0.00114 0.00165 109 7PZ 0.00001 0.00001 0.00000 0.00025 0.00043 110 8D 0 0.00000 0.00000 0.00000 -0.00018 -0.00029 111 8D+1 0.00000 0.00000 0.00000 0.00015 0.00024 112 8D-1 0.00000 0.00000 0.00000 -0.00004 -0.00005 113 8D+2 0.00000 0.00000 0.00000 0.00031 0.00049 114 8D-2 0.00001 0.00001 0.00000 0.00011 0.00020 115 9D 0 0.00000 0.00000 0.00000 0.00004 0.00005 116 9D+1 0.00000 0.00000 0.00000 0.00014 0.00017 117 9D-1 0.00000 0.00000 0.00000 -0.00022 -0.00035 118 9D+2 0.00000 0.00000 0.00000 -0.00021 -0.00034 119 9D-2 0.00000 0.00000 0.00000 0.00008 0.00009 76 77 78 79 80 76 3S 0.01589 77 4S 0.00084 0.00005 78 5PX -0.00107 -0.00006 0.00009 79 5PY 0.00062 0.00004 -0.00004 0.00003 80 5PZ 0.00070 0.00005 -0.00006 0.00003 0.00006 81 6PX -0.00040 -0.00003 0.00006 -0.00002 -0.00001 82 6PY 0.00023 0.00002 -0.00002 0.00004 0.00000 83 6PZ 0.00033 0.00004 -0.00005 0.00003 0.00007 84 7PX 0.00032 0.00001 -0.00003 0.00000 0.00000 85 7PY -0.00018 -0.00001 0.00000 -0.00003 0.00000 86 7PZ -0.00013 -0.00002 0.00001 -0.00001 -0.00003 87 8D 0 -0.00002 0.00000 0.00000 0.00000 0.00001 88 8D+1 -0.00020 -0.00001 0.00002 -0.00001 -0.00001 89 8D-1 0.00011 0.00001 -0.00001 0.00001 0.00001 90 8D+2 0.00008 0.00000 -0.00001 0.00000 0.00000 91 8D-2 -0.00014 -0.00001 0.00001 -0.00001 0.00000 92 9D 0 -0.00006 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00040 0.00002 -0.00003 0.00002 0.00002 94 9D-1 -0.00023 -0.00001 0.00002 -0.00001 -0.00001 95 9D+2 -0.00020 -0.00001 0.00002 0.00000 -0.00001 96 9D-2 0.00035 0.00002 -0.00002 0.00002 0.00002 97 4 H 1S -0.00133 -0.00007 -0.00035 -0.00026 -0.00029 98 2S -0.00049 -0.00004 -0.00063 -0.00033 -0.00044 99 3S 0.00041 -0.00004 -0.00026 -0.00015 -0.00027 100 4S -0.00004 0.00000 -0.00002 -0.00001 -0.00001 101 5PX 0.00026 0.00002 -0.00004 0.00000 0.00001 102 5PY -0.00015 -0.00001 0.00000 0.00000 -0.00002 103 5PZ -0.00027 -0.00001 -0.00001 -0.00002 0.00000 104 6PX 0.00130 0.00008 -0.00011 0.00007 0.00006 105 6PY -0.00007 0.00000 -0.00001 0.00002 -0.00002 106 6PZ -0.00048 0.00000 -0.00001 -0.00001 0.00002 107 7PX -0.00072 -0.00003 0.00005 -0.00002 -0.00002 108 7PY 0.00069 0.00004 -0.00005 0.00001 0.00005 109 7PZ 0.00026 0.00001 -0.00001 0.00001 0.00000 110 8D 0 -0.00015 -0.00001 0.00001 -0.00001 0.00000 111 8D+1 0.00009 0.00001 -0.00001 0.00000 0.00001 112 8D-1 -0.00003 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00021 0.00001 -0.00002 0.00001 0.00001 114 8D-2 0.00009 0.00001 -0.00001 0.00001 0.00000 115 9D 0 0.00001 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00007 0.00000 0.00000 0.00000 0.00001 117 9D-1 -0.00015 -0.00001 0.00001 0.00000 -0.00001 118 9D+2 -0.00016 -0.00001 0.00001 0.00000 -0.00001 119 9D-2 0.00003 0.00000 0.00000 0.00000 0.00001 81 82 83 84 85 81 6PX 0.00016 82 6PY -0.00006 0.00010 83 6PZ -0.00001 0.00000 0.00013 84 7PX -0.00005 -0.00002 -0.00002 0.00005 85 7PY -0.00002 -0.00007 0.00001 0.00004 0.00009 86 7PZ -0.00001 0.00001 -0.00005 0.00001 -0.00001 87 8D 0 0.00002 -0.00001 0.00001 -0.00001 0.00000 88 8D+1 0.00002 -0.00001 -0.00002 -0.00001 0.00000 89 8D-1 -0.00001 0.00001 0.00001 0.00000 -0.00001 90 8D+2 -0.00002 0.00000 0.00000 0.00001 0.00001 91 8D-2 0.00002 -0.00002 0.00000 0.00000 0.00001 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00001 0.00001 0.00001 0.00000 -0.00001 94 9D-1 0.00001 0.00001 -0.00001 -0.00001 -0.00001 95 9D+2 0.00001 0.00000 0.00000 -0.00001 -0.00001 96 9D-2 -0.00001 0.00001 0.00001 0.00000 -0.00001 97 4 H 1S -0.00191 -0.00015 -0.00031 0.00096 0.00114 98 2S -0.00302 -0.00013 -0.00058 0.00151 0.00165 99 3S -0.00130 -0.00007 -0.00048 0.00072 0.00069 100 4S -0.00008 0.00000 0.00000 0.00003 0.00004 101 5PX -0.00011 0.00001 0.00001 0.00005 0.00005 102 5PY -0.00007 0.00002 -0.00001 0.00002 0.00001 103 5PZ -0.00006 -0.00002 0.00002 0.00002 0.00005 104 6PX -0.00011 0.00007 0.00005 0.00002 -0.00003 105 6PY -0.00007 0.00009 -0.00001 -0.00001 -0.00006 106 6PZ -0.00005 -0.00001 0.00009 0.00000 0.00006 107 7PX 0.00002 0.00001 0.00000 -0.00003 -0.00002 108 7PY 0.00003 -0.00006 0.00006 0.00002 0.00005 109 7PZ 0.00001 0.00001 -0.00003 0.00000 -0.00003 110 8D 0 0.00001 -0.00001 0.00000 0.00000 0.00001 111 8D+1 -0.00003 0.00001 0.00001 0.00001 0.00001 112 8D-1 -0.00002 0.00001 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00001 0.00001 0.00000 114 8D-2 -0.00002 0.00002 0.00000 0.00000 -0.00001 115 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 116 9D+1 0.00004 -0.00001 0.00001 -0.00001 -0.00001 117 9D-1 0.00002 0.00001 0.00000 -0.00002 -0.00002 118 9D+2 0.00002 0.00001 0.00000 -0.00001 -0.00001 119 9D-2 0.00003 -0.00001 0.00001 -0.00001 -0.00001 86 87 88 89 90 86 7PZ 0.00002 87 8D 0 -0.00001 0.00000 88 8D+1 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 -0.00001 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00025 -0.00018 -0.00015 -0.00004 0.00031 98 2S 0.00043 -0.00029 -0.00024 -0.00005 0.00049 99 3S 0.00026 -0.00015 -0.00009 -0.00003 0.00021 100 4S 0.00001 -0.00001 -0.00001 0.00000 0.00001 101 5PX 0.00001 -0.00001 -0.00001 0.00000 0.00002 102 5PY 0.00001 -0.00001 0.00000 0.00000 0.00001 103 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00001 104 6PX -0.00001 -0.00001 -0.00003 0.00002 0.00001 105 6PY 0.00001 -0.00001 -0.00001 0.00001 0.00000 106 6PZ -0.00003 0.00000 -0.00001 0.00000 0.00001 107 7PX 0.00000 0.00000 0.00001 0.00000 -0.00001 108 7PY -0.00003 0.00001 -0.00001 0.00000 0.00000 109 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 8D-2 0.00001 92 9D 0 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00001 94 9D-1 0.00000 0.00000 0.00000 0.00001 95 9D+2 0.00000 0.00000 0.00000 0.00001 0.00001 96 9D-2 0.00000 0.00000 0.00001 0.00000 0.00000 97 4 H 1S -0.00011 0.00004 -0.00014 -0.00022 -0.00021 98 2S -0.00020 0.00005 -0.00017 -0.00035 -0.00034 99 3S -0.00009 0.00001 -0.00007 -0.00015 -0.00016 100 4S -0.00001 0.00000 0.00000 -0.00001 -0.00001 101 5PX -0.00001 0.00000 0.00000 -0.00001 -0.00001 102 5PY -0.00001 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 -0.00001 -0.00001 -0.00001 104 6PX -0.00002 0.00000 0.00004 -0.00002 -0.00002 105 6PY -0.00002 0.00000 0.00001 0.00001 0.00001 106 6PZ 0.00000 0.00001 -0.00001 0.00000 0.00000 107 7PX 0.00000 0.00000 -0.00001 0.00002 0.00001 108 7PY 0.00001 0.00000 0.00001 -0.00002 -0.00001 109 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00001 0.00001 118 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 9D-2 0.00001 97 4 H 1S -0.00008 0.03350 98 2S -0.00009 0.05128 0.07888 99 3S -0.00003 0.02247 0.03484 0.01589 100 4S 0.00000 0.00128 0.00196 0.00084 0.00005 101 5PX 0.00000 0.00160 0.00247 0.00107 0.00006 102 5PY 0.00000 0.00092 0.00143 0.00062 0.00004 103 5PZ -0.00001 0.00120 0.00177 0.00070 0.00005 104 6PX 0.00003 0.00053 0.00097 0.00040 0.00003 105 6PY 0.00001 0.00031 0.00056 0.00023 0.00002 106 6PZ -0.00001 0.00093 0.00128 0.00033 0.00004 107 7PX -0.00001 -0.00034 -0.00058 -0.00032 -0.00001 108 7PY 0.00001 -0.00019 -0.00034 -0.00018 -0.00001 109 7PZ 0.00001 -0.00035 -0.00047 -0.00013 -0.00002 110 8D 0 0.00000 0.00001 -0.00001 -0.00002 0.00000 111 8D+1 0.00000 0.00032 0.00049 0.00020 0.00001 112 8D-1 0.00000 0.00018 0.00028 0.00011 0.00001 113 8D+2 0.00000 0.00011 0.00018 0.00008 0.00000 114 8D-2 0.00000 0.00018 0.00031 0.00014 0.00001 115 9D 0 0.00000 -0.00007 -0.00011 -0.00006 0.00000 116 9D+1 0.00000 -0.00058 -0.00089 -0.00040 -0.00002 117 9D-1 0.00000 -0.00033 -0.00052 -0.00023 -0.00001 118 9D+2 0.00000 -0.00029 -0.00045 -0.00020 -0.00001 119 9D-2 0.00000 -0.00050 -0.00078 -0.00035 -0.00002 101 102 103 104 105 101 5PX 0.00009 102 5PY 0.00004 0.00003 103 5PZ 0.00006 0.00003 0.00006 104 6PX 0.00006 0.00002 0.00001 0.00016 105 6PY 0.00002 0.00004 0.00000 0.00006 0.00010 106 6PZ 0.00005 0.00003 0.00007 0.00001 0.00000 107 7PX -0.00003 0.00000 0.00000 -0.00005 0.00002 108 7PY 0.00000 -0.00003 0.00000 0.00002 -0.00007 109 7PZ -0.00001 -0.00001 -0.00003 0.00001 0.00001 110 8D 0 0.00000 0.00000 0.00001 -0.00002 -0.00001 111 8D+1 0.00002 0.00001 0.00001 0.00002 0.00001 112 8D-1 0.00001 0.00001 0.00001 0.00001 0.00001 113 8D+2 0.00001 0.00000 0.00000 0.00002 0.00000 114 8D-2 0.00001 0.00001 0.00000 0.00002 0.00002 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00003 -0.00002 -0.00002 -0.00001 -0.00001 117 9D-1 -0.00002 -0.00001 -0.00001 -0.00001 0.00001 118 9D+2 -0.00002 0.00000 -0.00001 -0.00001 0.00000 119 9D-2 -0.00002 -0.00002 -0.00002 -0.00001 -0.00001 106 107 108 109 110 106 6PZ 0.00013 107 7PX 0.00002 0.00005 108 7PY 0.00001 -0.00004 0.00009 109 7PZ -0.00005 -0.00001 -0.00001 0.00002 110 8D 0 0.00001 0.00001 0.00000 -0.00001 0.00000 111 8D+1 0.00002 -0.00001 0.00000 0.00000 0.00000 112 8D-1 0.00001 0.00000 -0.00001 0.00000 0.00000 113 8D+2 0.00000 -0.00001 0.00001 0.00000 0.00000 114 8D-2 0.00000 0.00000 -0.00001 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00001 0.00000 0.00000 117 9D-1 -0.00001 0.00001 -0.00001 0.00000 0.00000 118 9D+2 0.00000 0.00001 -0.00001 0.00000 0.00000 119 9D-2 -0.00001 0.00000 0.00001 0.00000 0.00000 111 112 113 114 115 111 8D+1 0.00000 112 8D-1 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 116 9D+1 0.00001 117 9D-1 0.00000 0.00001 118 9D+2 0.00000 0.00001 0.00001 119 9D-2 0.00001 0.00000 0.00000 0.00001 Full Mulliken population analysis: 1 2 3 4 5 1 1 P 1S 2.16228 2 2S -0.15751 2.11199 3 3S -0.00298 -0.04395 0.60756 4 4S -0.00357 0.06448 0.04817 0.01578 5 5S 0.00134 -0.03747 0.30178 0.02600 0.26049 6 6S -0.00004 0.00109 -0.00908 -0.00036 0.00374 7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000 11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000 13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000 14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000 16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000 17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000 19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000 20 11PY 0.00000 0.00000 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00000 0.00000 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 -0.00007 0.00684 0.00018 -0.00020 52 2S 0.00007 -0.00209 0.02358 0.00101 -0.00482 53 3S 0.00005 -0.00105 0.00361 -0.00023 -0.01426 54 4S 0.00000 -0.00011 0.00107 0.00006 0.00039 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 -0.00001 0.00055 0.00003 0.00003 57 5PZ 0.00000 -0.00001 0.00034 0.00002 0.00011 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00001 -0.00041 0.00279 0.00022 0.00020 60 6PZ 0.00001 -0.00039 0.00242 0.00024 0.00116 61 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00002 -0.00033 0.00083 0.00007 0.00119 63 7PZ 0.00000 0.00009 -0.00101 -0.00010 -0.00080 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 -0.00003 0.00017 0.00002 0.00002 67 8D+2 0.00000 -0.00001 0.00008 0.00001 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00007 -0.00025 -0.00003 0.00004 72 9D+2 0.00000 0.00005 -0.00012 -0.00001 0.00005 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00000 -0.00007 0.00684 0.00018 -0.00020 75 2S 0.00007 -0.00209 0.02358 0.00101 -0.00482 76 3S 0.00005 -0.00105 0.00361 -0.00023 -0.01426 77 4S 0.00000 -0.00011 0.00107 0.00006 0.00039 78 5PX 0.00000 -0.00001 0.00041 0.00002 0.00003 79 5PY 0.00000 0.00000 0.00014 0.00001 0.00001 80 5PZ 0.00000 -0.00001 0.00034 0.00002 0.00011 81 6PX 0.00001 -0.00030 0.00209 0.00017 0.00015 82 6PY 0.00000 -0.00010 0.00070 0.00006 0.00005 83 6PZ 0.00001 -0.00039 0.00242 0.00024 0.00116 84 7PX 0.00001 -0.00025 0.00063 0.00005 0.00089 85 7PY 0.00000 -0.00008 0.00021 0.00002 0.00030 86 7PZ 0.00000 0.00009 -0.00101 -0.00010 -0.00080 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 -0.00002 0.00013 0.00002 0.00001 89 8D-1 0.00000 -0.00001 0.00004 0.00001 0.00000 90 8D+2 0.00000 0.00000 0.00002 0.00000 0.00000 91 8D-2 0.00000 -0.00001 0.00006 0.00001 0.00000 92 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000 93 9D+1 0.00000 0.00005 -0.00019 -0.00002 0.00003 94 9D-1 0.00000 0.00002 -0.00006 -0.00001 0.00001 95 9D+2 0.00000 0.00001 -0.00003 0.00000 0.00001 96 9D-2 0.00000 0.00004 -0.00009 0.00000 0.00004 97 4 H 1S 0.00000 -0.00007 0.00684 0.00018 -0.00020 98 2S 0.00007 -0.00209 0.02358 0.00101 -0.00482 99 3S 0.00005 -0.00105 0.00361 -0.00023 -0.01426 100 4S 0.00000 -0.00011 0.00107 0.00006 0.00039 101 5PX 0.00000 -0.00001 0.00041 0.00002 0.00003 102 5PY 0.00000 0.00000 0.00014 0.00001 0.00001 103 5PZ 0.00000 -0.00001 0.00034 0.00002 0.00011 104 6PX 0.00001 -0.00030 0.00209 0.00017 0.00015 105 6PY 0.00000 -0.00010 0.00070 0.00006 0.00005 106 6PZ 0.00001 -0.00039 0.00242 0.00024 0.00116 107 7PX 0.00001 -0.00025 0.00063 0.00005 0.00089 108 7PY 0.00000 -0.00008 0.00021 0.00002 0.00030 109 7PZ 0.00000 0.00009 -0.00101 -0.00010 -0.00080 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 -0.00002 0.00013 0.00002 0.00001 112 8D-1 0.00000 -0.00001 0.00004 0.00001 0.00000 113 8D+2 0.00000 0.00000 0.00002 0.00000 0.00000 114 8D-2 0.00000 -0.00001 0.00006 0.00001 0.00000 115 9D 0 0.00000 0.00001 -0.00001 0.00000 0.00000 116 9D+1 0.00000 0.00005 -0.00019 -0.00002 0.00003 117 9D-1 0.00000 0.00002 -0.00006 -0.00001 0.00001 118 9D+2 0.00000 0.00001 -0.00003 0.00000 0.00001 119 9D-2 0.00000 0.00004 -0.00009 0.00000 0.00004 6 7 8 9 10 6 6S 0.00375 7 7PX 0.00000 1.89774 8 7PY 0.00000 0.00000 1.89774 9 7PZ 0.00000 0.00000 0.00000 1.92478 10 8PX 0.00000 -0.01987 0.00000 0.00000 0.26508 11 8PY 0.00000 0.00000 -0.01987 0.00000 0.00000 12 8PZ 0.00000 0.00000 0.00000 -0.02689 0.00000 13 9PX 0.00000 0.05786 0.00000 0.00000 0.04977 14 9PY 0.00000 0.00000 0.05786 0.00000 0.00000 15 9PZ 0.00000 0.00000 0.00000 0.04712 0.00000 16 10PX 0.00000 -0.00380 0.00000 0.00000 0.09964 17 10PY 0.00000 0.00000 -0.00380 0.00000 0.00000 18 10PZ 0.00000 0.00000 0.00000 -0.00670 0.00000 19 11PX 0.00000 -0.00001 0.00000 0.00000 -0.00007 20 11PY 0.00000 0.00000 -0.00001 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00000 -0.00012 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S -0.00124 0.00000 -0.00018 -0.00006 0.00000 52 2S -0.00526 0.00000 -0.00231 -0.00105 0.00000 53 3S -0.00434 0.00000 -0.00069 -0.00038 0.00000 54 4S -0.00029 0.00000 0.00000 0.00000 0.00000 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00019 56 5PY -0.00001 0.00000 -0.00002 -0.00001 0.00000 57 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 58 6PX 0.00000 -0.00002 0.00000 0.00000 0.00173 59 6PY -0.00010 0.00000 0.00017 -0.00010 0.00000 60 6PZ 0.00000 0.00000 -0.00004 0.00002 0.00000 61 7PX 0.00000 0.00012 0.00000 0.00000 -0.00336 62 7PY 0.00009 0.00000 0.00000 0.00004 0.00000 63 7PZ -0.00002 0.00000 0.00001 0.00002 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00005 66 8D-1 0.00000 0.00000 -0.00002 -0.00001 0.00000 67 8D+2 0.00000 0.00000 0.00000 -0.00002 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00014 69 9D 0 0.00000 0.00000 0.00001 0.00002 0.00000 70 9D+1 0.00000 -0.00002 0.00000 0.00000 0.00041 71 9D-1 0.00001 0.00000 0.00004 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00007 0.00000 73 9D-2 0.00000 0.00013 0.00000 0.00000 -0.00057 74 3 H 1S -0.00124 -0.00013 -0.00004 -0.00006 0.02086 75 2S -0.00526 -0.00174 -0.00058 -0.00105 0.05411 76 3S -0.00434 -0.00052 -0.00017 -0.00038 0.01699 77 4S -0.00029 0.00000 0.00000 0.00000 0.00021 78 5PX -0.00001 -0.00001 0.00000 -0.00001 0.00024 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00029 80 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00048 81 6PX -0.00008 0.00009 0.00003 -0.00007 -0.00028 82 6PY -0.00003 0.00003 0.00000 -0.00002 0.00026 83 6PZ 0.00000 -0.00003 -0.00001 0.00002 0.00093 84 7PX 0.00007 0.00001 0.00002 0.00003 -0.00031 85 7PY 0.00002 0.00002 0.00007 0.00001 -0.00051 86 7PZ -0.00002 0.00001 0.00000 0.00002 -0.00030 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00002 88 8D+1 0.00000 -0.00001 -0.00001 0.00000 0.00002 89 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00005 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00002 91 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00001 92 9D 0 0.00000 0.00001 0.00000 0.00002 -0.00006 93 9D+1 0.00000 0.00002 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 -0.00001 0.00000 -0.00005 95 9D+2 0.00000 0.00002 0.00008 0.00002 0.00005 96 9D-2 0.00000 0.00002 0.00002 0.00005 0.00000 97 4 H 1S -0.00124 -0.00013 -0.00004 -0.00006 0.02086 98 2S -0.00526 -0.00174 -0.00058 -0.00105 0.05411 99 3S -0.00434 -0.00052 -0.00017 -0.00038 0.01699 100 4S -0.00029 0.00000 0.00000 0.00000 0.00021 101 5PX -0.00001 -0.00001 0.00000 -0.00001 0.00024 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00029 103 5PZ 0.00000 -0.00001 0.00000 0.00000 0.00048 104 6PX -0.00008 0.00009 0.00003 -0.00007 -0.00028 105 6PY -0.00003 0.00003 0.00000 -0.00002 0.00026 106 6PZ 0.00000 -0.00003 -0.00001 0.00002 0.00093 107 7PX 0.00007 0.00001 0.00002 0.00003 -0.00031 108 7PY 0.00002 0.00002 0.00007 0.00001 -0.00051 109 7PZ -0.00002 0.00001 0.00000 0.00002 -0.00030 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00002 111 8D+1 0.00000 -0.00001 -0.00001 0.00000 0.00002 112 8D-1 0.00000 -0.00001 0.00000 0.00000 0.00005 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00002 114 8D-2 0.00000 0.00000 0.00000 -0.00001 0.00001 115 9D 0 0.00000 0.00001 0.00000 0.00002 -0.00006 116 9D+1 0.00000 0.00002 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 -0.00001 0.00000 -0.00005 118 9D+2 0.00000 0.00002 0.00008 0.00002 0.00005 119 9D-2 0.00000 0.00002 0.00002 0.00005 0.00000 11 12 13 14 15 11 8PY 0.26508 12 8PZ 0.00000 0.37481 13 9PX 0.00000 0.00000 0.03169 14 9PY 0.04977 0.00000 0.00000 0.03169 15 9PZ 0.00000 0.07789 0.00000 0.00000 0.04451 16 10PX 0.00000 0.00000 0.01148 0.00000 0.00000 17 10PY 0.09964 0.00000 0.00000 0.01148 0.00000 18 10PZ 0.00000 0.18408 0.00000 0.00000 0.02331 19 11PX 0.00000 0.00000 -0.00001 0.00000 0.00000 20 11PY -0.00007 0.00000 0.00000 -0.00001 0.00000 21 11PZ 0.00000 0.00478 0.00000 0.00000 0.00045 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.02782 0.00917 0.00000 0.00207 0.00077 52 2S 0.07214 0.02873 0.00000 0.00873 0.00385 53 3S 0.02266 0.01175 0.00000 0.00241 0.00138 54 4S 0.00028 0.00008 0.00000 0.00002 0.00001 55 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 56 5PY 0.00065 0.00058 0.00000 0.00013 0.00010 57 5PZ 0.00064 0.00000 0.00000 0.00010 -0.00001 58 6PX 0.00000 0.00000 0.00022 0.00000 0.00000 59 6PY -0.00060 0.00231 0.00000 -0.00014 0.00051 60 6PZ 0.00124 0.00050 0.00000 0.00025 -0.00003 61 7PX 0.00000 0.00000 -0.00035 0.00000 0.00000 62 7PY 0.00004 -0.00083 0.00000 0.00000 -0.00011 63 7PZ -0.00040 -0.00069 0.00000 -0.00005 -0.00007 64 8D 0 0.00003 0.00012 0.00000 0.00000 0.00002 65 8D+1 0.00000 0.00000 0.00001 0.00000 0.00000 66 8D-1 0.00008 0.00000 0.00000 0.00003 0.00001 67 8D+2 0.00000 0.00014 0.00000 -0.00001 0.00005 68 8D-2 0.00000 0.00000 0.00002 0.00000 0.00000 69 9D 0 -0.00008 0.00013 0.00000 -0.00001 0.00004 70 9D+1 0.00000 0.00000 0.00007 0.00000 0.00000 71 9D-1 -0.00021 0.00031 0.00000 -0.00010 0.00003 72 9D+2 0.00025 -0.00035 0.00000 0.00001 -0.00009 73 9D-2 0.00000 0.00000 -0.00006 0.00000 0.00000 74 3 H 1S 0.00695 0.00917 0.00155 0.00052 0.00077 75 2S 0.01804 0.02873 0.00655 0.00218 0.00385 76 3S 0.00566 0.01175 0.00181 0.00060 0.00138 77 4S 0.00007 0.00008 0.00002 0.00001 0.00001 78 5PX 0.00029 0.00043 0.00006 0.00004 0.00007 79 5PY 0.00001 0.00014 0.00004 0.00000 0.00002 80 5PZ 0.00016 0.00000 0.00007 0.00002 -0.00001 81 6PX 0.00026 0.00173 -0.00012 0.00007 0.00038 82 6PY 0.00089 0.00058 0.00007 0.00006 0.00013 83 6PZ 0.00031 0.00050 0.00019 0.00006 -0.00003 84 7PX -0.00051 -0.00062 -0.00002 -0.00006 -0.00008 85 7PY -0.00200 -0.00021 -0.00006 -0.00020 -0.00003 86 7PZ -0.00010 -0.00069 -0.00004 -0.00001 -0.00007 87 8D 0 0.00001 0.00012 0.00000 0.00000 0.00002 88 8D+1 0.00005 0.00000 0.00001 0.00001 0.00001 89 8D-1 0.00001 0.00000 0.00001 0.00000 0.00000 90 8D+2 0.00008 0.00003 0.00000 0.00002 0.00001 91 8D-2 0.00002 0.00010 0.00000 0.00000 0.00004 92 9D 0 -0.00002 0.00013 -0.00001 0.00000 0.00004 93 9D+1 -0.00005 0.00023 -0.00004 -0.00001 0.00002 94 9D-1 0.00031 0.00008 -0.00001 0.00004 0.00001 95 9D+2 -0.00041 -0.00009 0.00002 -0.00006 -0.00002 96 9D-2 0.00005 -0.00026 -0.00003 0.00002 -0.00006 97 4 H 1S 0.00695 0.00917 0.00155 0.00052 0.00077 98 2S 0.01804 0.02873 0.00655 0.00218 0.00385 99 3S 0.00566 0.01175 0.00181 0.00060 0.00138 100 4S 0.00007 0.00008 0.00002 0.00001 0.00001 101 5PX 0.00029 0.00043 0.00006 0.00004 0.00007 102 5PY 0.00001 0.00014 0.00004 0.00000 0.00002 103 5PZ 0.00016 0.00000 0.00007 0.00002 -0.00001 104 6PX 0.00026 0.00173 -0.00012 0.00007 0.00038 105 6PY 0.00089 0.00058 0.00007 0.00006 0.00013 106 6PZ 0.00031 0.00050 0.00019 0.00006 -0.00003 107 7PX -0.00051 -0.00062 -0.00002 -0.00006 -0.00008 108 7PY -0.00200 -0.00021 -0.00006 -0.00020 -0.00003 109 7PZ -0.00010 -0.00069 -0.00004 -0.00001 -0.00007 110 8D 0 0.00001 0.00012 0.00000 0.00000 0.00002 111 8D+1 0.00005 0.00000 0.00001 0.00001 0.00001 112 8D-1 0.00001 0.00000 0.00001 0.00000 0.00000 113 8D+2 0.00008 0.00003 0.00000 0.00002 0.00001 114 8D-2 0.00002 0.00010 0.00000 0.00000 0.00004 115 9D 0 -0.00002 0.00013 -0.00001 0.00000 0.00004 116 9D+1 -0.00005 0.00023 -0.00004 -0.00001 0.00002 117 9D-1 0.00031 0.00008 -0.00001 0.00004 0.00001 118 9D+2 -0.00041 -0.00009 0.00002 -0.00006 -0.00002 119 9D-2 0.00005 -0.00026 -0.00003 0.00002 -0.00006 16 17 18 19 20 16 10PX 0.07479 17 10PY 0.00000 0.07479 18 10PZ 0.00000 0.00000 0.18745 19 11PX -0.00010 0.00000 0.00000 0.00000 20 11PY 0.00000 -0.00010 0.00000 0.00000 0.00000 21 11PZ 0.00000 0.00000 0.00894 0.00000 0.00000 22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000 23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000 24 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00000 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00000 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00000 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00000 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.01482 0.00512 0.00000 -0.00001 52 2S 0.00000 0.04364 0.01885 0.00000 -0.00004 53 3S 0.00000 0.01977 0.01225 0.00000 -0.00003 54 4S 0.00000 0.00041 0.00010 0.00000 0.00000 55 5PX 0.00010 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 -0.00002 0.00011 0.00000 0.00000 57 5PZ 0.00000 0.00013 0.00005 0.00000 0.00000 58 6PX 0.00102 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00011 0.00063 0.00000 0.00000 60 6PZ 0.00000 0.00034 0.00106 0.00000 0.00000 61 7PX -0.00294 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00007 -0.00063 0.00000 0.00000 63 7PZ 0.00000 -0.00023 -0.00104 0.00000 0.00000 64 8D 0 0.00000 0.00001 0.00003 0.00000 0.00000 65 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 -0.00001 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00001 0.00000 0.00000 68 8D-2 0.00003 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 -0.00003 0.00007 0.00000 0.00000 70 9D+1 0.00014 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00006 0.00019 0.00000 0.00000 72 9D+2 0.00000 0.00017 -0.00007 0.00000 0.00000 73 9D-2 -0.00019 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.01111 0.00370 0.00512 -0.00001 0.00000 75 2S 0.03273 0.01091 0.01885 -0.00003 -0.00001 76 3S 0.01483 0.00494 0.01225 -0.00002 -0.00001 77 4S 0.00031 0.00010 0.00010 0.00000 0.00000 78 5PX -0.00005 0.00006 0.00009 0.00000 0.00000 79 5PY 0.00006 0.00001 0.00003 0.00000 0.00000 80 5PZ 0.00010 0.00003 0.00005 0.00000 0.00000 81 6PX 0.00026 0.00007 0.00047 0.00000 0.00000 82 6PY 0.00007 0.00072 0.00016 0.00000 0.00000 83 6PZ 0.00026 0.00009 0.00106 0.00000 0.00000 84 7PX -0.00039 -0.00029 -0.00047 0.00000 0.00000 85 7PY -0.00029 -0.00189 -0.00016 0.00000 0.00000 86 7PZ -0.00017 -0.00006 -0.00104 0.00000 0.00000 87 8D 0 0.00001 0.00000 0.00003 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00001 0.00001 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00001 0.00001 0.00000 0.00000 92 9D 0 -0.00002 -0.00001 0.00007 0.00000 0.00000 93 9D+1 0.00009 -0.00001 0.00014 0.00000 0.00000 94 9D-1 -0.00001 0.00013 0.00005 0.00000 0.00000 95 9D+2 0.00002 -0.00012 -0.00002 0.00000 0.00000 96 9D-2 0.00006 0.00002 -0.00005 0.00000 0.00000 97 4 H 1S 0.01111 0.00370 0.00512 -0.00001 0.00000 98 2S 0.03273 0.01091 0.01885 -0.00003 -0.00001 99 3S 0.01483 0.00494 0.01225 -0.00002 -0.00001 100 4S 0.00031 0.00010 0.00010 0.00000 0.00000 101 5PX -0.00005 0.00006 0.00009 0.00000 0.00000 102 5PY 0.00006 0.00001 0.00003 0.00000 0.00000 103 5PZ 0.00010 0.00003 0.00005 0.00000 0.00000 104 6PX 0.00026 0.00007 0.00047 0.00000 0.00000 105 6PY 0.00007 0.00072 0.00016 0.00000 0.00000 106 6PZ 0.00026 0.00009 0.00106 0.00000 0.00000 107 7PX -0.00039 -0.00029 -0.00047 0.00000 0.00000 108 7PY -0.00029 -0.00189 -0.00016 0.00000 0.00000 109 7PZ -0.00017 -0.00006 -0.00104 0.00000 0.00000 110 8D 0 0.00001 0.00000 0.00003 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00001 0.00001 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00001 0.00001 0.00000 0.00000 115 9D 0 -0.00002 -0.00001 0.00007 0.00000 0.00000 116 9D+1 0.00009 -0.00001 0.00014 0.00000 0.00000 117 9D-1 -0.00001 0.00013 0.00005 0.00000 0.00000 118 9D+2 0.00002 -0.00012 -0.00002 0.00000 0.00000 119 9D-2 0.00006 0.00002 -0.00005 0.00000 0.00000 21 22 23 24 25 21 11PZ 0.00097 22 12D 0 0.00000 0.00001 23 12D+1 0.00000 0.00000 0.00953 24 12D-1 0.00000 0.00000 0.00000 0.00953 25 12D+2 0.00000 0.00000 0.00000 0.00000 0.00535 26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000 27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000 28 13D+1 0.00000 0.00000 0.00465 0.00000 0.00000 29 13D-1 0.00000 0.00000 0.00000 0.00465 0.00000 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00267 31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00001 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00199 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00199 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00037 36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00011 0.00000 0.00000 0.00681 0.00394 52 2S 0.00051 -0.00001 0.00000 0.01247 0.00722 53 3S 0.00059 0.00000 0.00000 0.00226 0.00131 54 4S 0.00001 0.00000 0.00000 0.00001 0.00001 55 5PX 0.00000 0.00000 0.00005 0.00000 0.00000 56 5PY 0.00000 0.00000 0.00000 0.00010 -0.00001 57 5PZ 0.00000 0.00000 0.00000 -0.00003 0.00007 58 6PX 0.00000 0.00000 0.00032 0.00000 0.00000 59 6PY 0.00001 0.00000 0.00000 -0.00007 0.00006 60 6PZ 0.00006 0.00001 0.00000 -0.00013 0.00011 61 7PX 0.00000 0.00000 -0.00033 0.00000 0.00000 62 7PY -0.00002 0.00000 0.00000 0.00000 0.00001 63 7PZ -0.00007 0.00000 0.00000 0.00009 -0.00002 64 8D 0 0.00000 0.00000 0.00000 -0.00001 0.00001 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00003 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00001 -0.00001 70 9D+1 0.00000 0.00000 -0.00006 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00001 0.00004 72 9D+2 0.00000 0.00000 0.00000 0.00004 -0.00002 73 9D-2 0.00000 0.00000 -0.00008 0.00000 0.00000 74 3 H 1S 0.00011 0.00000 0.00511 0.00170 0.00099 75 2S 0.00051 -0.00001 0.00935 0.00312 0.00181 76 3S 0.00059 0.00000 0.00170 0.00057 0.00033 77 4S 0.00001 0.00000 0.00001 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00003 0.00006 -0.00004 79 5PY 0.00000 0.00000 0.00006 0.00000 -0.00001 80 5PZ 0.00000 0.00000 -0.00002 -0.00001 0.00002 81 6PX 0.00000 0.00000 -0.00001 0.00004 -0.00004 82 6PY 0.00000 0.00000 0.00004 0.00018 -0.00022 83 6PZ 0.00006 0.00001 -0.00010 -0.00003 0.00003 84 7PX -0.00001 0.00000 -0.00003 -0.00005 0.00013 85 7PY 0.00000 0.00000 -0.00005 -0.00020 0.00017 86 7PZ -0.00007 0.00000 0.00006 0.00002 -0.00001 87 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00001 0.00001 -0.00001 91 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000 92 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 93 9D+1 0.00000 0.00000 -0.00001 0.00001 0.00001 94 9D-1 0.00000 0.00000 0.00001 -0.00005 -0.00005 95 9D+2 0.00000 0.00000 0.00001 -0.00005 0.00001 96 9D-2 0.00000 0.00000 0.00001 0.00001 0.00000 97 4 H 1S 0.00011 0.00000 0.00511 0.00170 0.00099 98 2S 0.00051 -0.00001 0.00935 0.00312 0.00181 99 3S 0.00059 0.00000 0.00170 0.00057 0.00033 100 4S 0.00001 0.00000 0.00001 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00003 0.00006 -0.00004 102 5PY 0.00000 0.00000 0.00006 0.00000 -0.00001 103 5PZ 0.00000 0.00000 -0.00002 -0.00001 0.00002 104 6PX 0.00000 0.00000 -0.00001 0.00004 -0.00004 105 6PY 0.00000 0.00000 0.00004 0.00018 -0.00022 106 6PZ 0.00006 0.00001 -0.00010 -0.00003 0.00003 107 7PX -0.00001 0.00000 -0.00003 -0.00005 0.00013 108 7PY 0.00000 0.00000 -0.00005 -0.00020 0.00017 109 7PZ -0.00007 0.00000 0.00006 0.00002 -0.00001 110 8D 0 0.00000 0.00000 -0.00001 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00001 0.00001 -0.00001 114 8D-2 0.00000 0.00000 0.00000 0.00001 0.00000 115 9D 0 0.00000 0.00000 0.00001 0.00000 0.00000 116 9D+1 0.00000 0.00000 -0.00001 0.00001 0.00001 117 9D-1 0.00000 0.00000 0.00001 -0.00005 -0.00005 118 9D+2 0.00000 0.00000 0.00001 -0.00005 0.00001 119 9D-2 0.00000 0.00000 0.00001 0.00001 0.00000 26 27 28 29 30 26 12D-2 0.00535 27 13D 0 0.00000 0.00002 28 13D+1 0.00000 0.00000 0.00633 29 13D-1 0.00000 0.00000 0.00000 0.00633 30 13D+2 0.00000 0.00000 0.00000 0.00000 0.00369 31 13D-2 0.00267 0.00000 0.00000 0.00000 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.00000 0.00000 0.00046 0.00000 0.00000 34 14D-1 0.00000 0.00000 0.00000 0.00046 0.00000 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00009 36 14D-2 0.00037 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00000 0.00000 0.00262 0.00154 52 2S 0.00000 0.00001 0.00000 0.00475 0.00280 53 3S 0.00000 0.00000 0.00000 0.00054 0.00032 54 4S 0.00000 0.00000 0.00000 0.00000 0.00000 55 5PX -0.00005 0.00000 0.00002 0.00000 0.00000 56 5PY 0.00000 0.00000 0.00000 0.00015 0.00006 57 5PZ 0.00000 0.00000 0.00000 0.00005 0.00007 58 6PX -0.00037 0.00000 0.00013 0.00000 0.00000 59 6PY 0.00000 -0.00001 0.00000 -0.00010 -0.00002 60 6PZ 0.00000 0.00001 0.00000 0.00001 0.00008 61 7PX 0.00039 0.00000 -0.00008 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00002 -0.00001 64 8D 0 0.00000 0.00000 0.00000 -0.00001 0.00001 65 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00001 0.00001 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 -0.00001 0.00000 0.00002 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00001 -0.00001 70 9D+1 -0.00006 0.00000 -0.00001 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00001 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 73 9D-2 0.00001 0.00000 -0.00004 0.00000 0.00000 74 3 H 1S 0.00296 0.00000 0.00196 0.00065 0.00039 75 2S 0.00542 0.00001 0.00356 0.00119 0.00070 76 3S 0.00098 0.00000 0.00041 0.00014 0.00008 77 4S 0.00000 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00002 0.00000 0.00007 0.00005 0.00000 79 5PY -0.00004 0.00000 0.00005 0.00000 0.00000 80 5PZ 0.00005 0.00000 0.00004 0.00001 0.00002 81 6PX -0.00001 0.00000 -0.00007 0.00003 -0.00001 82 6PY -0.00004 0.00000 0.00003 0.00004 -0.00011 83 6PZ 0.00008 0.00001 0.00000 0.00000 0.00002 84 7PX -0.00002 0.00000 -0.00001 -0.00001 0.00003 85 7PY 0.00013 0.00000 -0.00001 -0.00005 0.00004 86 7PZ -0.00002 0.00000 0.00001 0.00000 0.00000 87 8D 0 0.00001 0.00000 -0.00001 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00001 0.00001 0.00000 89 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00002 -0.00001 91 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 92 9D 0 -0.00001 0.00000 0.00001 0.00000 0.00000 93 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00001 0.00000 0.00000 -0.00001 -0.00003 95 9D+2 0.00000 0.00000 0.00000 -0.00003 0.00002 96 9D-2 -0.00001 0.00000 -0.00001 0.00000 0.00000 97 4 H 1S 0.00296 0.00000 0.00196 0.00065 0.00039 98 2S 0.00542 0.00001 0.00356 0.00119 0.00070 99 3S 0.00098 0.00000 0.00041 0.00014 0.00008 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00002 0.00000 0.00007 0.00005 0.00000 102 5PY -0.00004 0.00000 0.00005 0.00000 0.00000 103 5PZ 0.00005 0.00000 0.00004 0.00001 0.00002 104 6PX -0.00001 0.00000 -0.00007 0.00003 -0.00001 105 6PY -0.00004 0.00000 0.00003 0.00004 -0.00011 106 6PZ 0.00008 0.00001 0.00000 0.00000 0.00002 107 7PX -0.00002 0.00000 -0.00001 -0.00001 0.00003 108 7PY 0.00013 0.00000 -0.00001 -0.00005 0.00004 109 7PZ -0.00002 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00001 0.00000 -0.00001 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00001 0.00001 0.00000 112 8D-1 0.00000 0.00000 0.00001 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00002 -0.00001 114 8D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 115 9D 0 -0.00001 0.00000 0.00001 0.00000 0.00000 116 9D+1 0.00001 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00001 0.00000 0.00000 -0.00001 -0.00003 118 9D+2 0.00000 0.00000 0.00000 -0.00003 0.00002 119 9D-2 -0.00001 0.00000 -0.00001 0.00000 0.00000 31 32 33 34 35 31 13D-2 0.00369 32 14D 0 0.00000 0.00020 33 14D+1 0.00000 0.00000 0.00100 34 14D-1 0.00000 0.00000 0.00000 0.00100 35 14D+2 0.00000 0.00000 0.00000 0.00000 0.00006 36 14D-2 0.00009 0.00000 0.00000 0.00000 0.00000 37 15F 0 0.00000 0.00000 0.00000 0.00000 0.00000 38 15F+1 0.00000 0.00000 0.00000 0.00000 0.00000 39 15F-1 0.00000 0.00000 0.00000 0.00000 0.00000 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00000 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 -0.00002 0.00000 0.00116 0.00022 52 2S 0.00000 -0.00005 0.00000 0.00308 0.00059 53 3S 0.00000 -0.00002 0.00000 0.00108 0.00021 54 4S 0.00000 0.00000 0.00000 0.00001 0.00000 55 5PX -0.00002 0.00000 0.00001 0.00000 0.00000 56 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 57 5PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 58 6PX -0.00015 0.00000 0.00007 0.00000 0.00000 59 6PY 0.00000 0.00003 0.00000 0.00001 0.00001 60 6PZ 0.00000 0.00003 0.00000 -0.00005 0.00000 61 7PX 0.00009 0.00000 -0.00016 0.00000 0.00000 62 7PY 0.00000 -0.00003 0.00000 0.00000 0.00000 63 7PZ 0.00000 -0.00002 0.00000 0.00005 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 -0.00001 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 -0.00002 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 -0.00004 0.00000 -0.00002 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 -0.00001 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00001 0.00000 73 9D-2 0.00002 0.00000 -0.00001 0.00000 0.00000 74 3 H 1S 0.00116 -0.00002 0.00087 0.00029 0.00006 75 2S 0.00210 -0.00005 0.00231 0.00077 0.00015 76 3S 0.00024 -0.00002 0.00081 0.00027 0.00005 77 4S 0.00000 0.00000 0.00001 0.00000 0.00000 78 5PX 0.00004 0.00000 -0.00001 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 81 6PX -0.00004 0.00002 0.00002 0.00000 0.00000 82 6PY -0.00001 0.00001 0.00000 0.00005 -0.00001 83 6PZ 0.00006 0.00003 -0.00004 -0.00001 0.00000 84 7PX 0.00000 -0.00002 -0.00002 -0.00001 0.00002 85 7PY 0.00003 -0.00001 -0.00001 -0.00011 0.00003 86 7PZ 0.00000 -0.00002 0.00004 0.00001 0.00000 87 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 93 9D+1 -0.00001 0.00000 -0.00002 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 -0.00002 0.00000 95 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000 96 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00116 -0.00002 0.00087 0.00029 0.00006 98 2S 0.00210 -0.00005 0.00231 0.00077 0.00015 99 3S 0.00024 -0.00002 0.00081 0.00027 0.00005 100 4S 0.00000 0.00000 0.00001 0.00000 0.00000 101 5PX 0.00004 0.00000 -0.00001 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00005 0.00000 -0.00001 0.00000 0.00000 104 6PX -0.00004 0.00002 0.00002 0.00000 0.00000 105 6PY -0.00001 0.00001 0.00000 0.00005 -0.00001 106 6PZ 0.00006 0.00003 -0.00004 -0.00001 0.00000 107 7PX 0.00000 -0.00002 -0.00002 -0.00001 0.00002 108 7PY 0.00003 -0.00001 -0.00001 -0.00011 0.00003 109 7PZ 0.00000 -0.00002 0.00004 0.00001 0.00000 110 8D 0 0.00001 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00001 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 -0.00001 0.00000 0.00000 0.00000 0.00000 116 9D+1 -0.00001 0.00000 -0.00002 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 -0.00002 0.00000 118 9D+2 0.00000 0.00000 0.00000 -0.00001 0.00000 119 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000 36 37 38 39 40 36 14D-2 0.00006 37 15F 0 0.00000 0.00024 38 15F+1 0.00000 0.00000 0.00005 39 15F-1 0.00000 0.00000 0.00000 0.00005 40 15F+2 0.00000 0.00000 0.00000 0.00000 0.00071 41 15F-2 0.00000 0.00000 0.00000 0.00000 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00000 0.00000 0.00000 44 16F 0 0.00000 -0.00001 0.00000 0.00000 0.00000 45 16F+1 0.00000 0.00000 0.00003 0.00000 0.00000 46 16F-1 0.00000 0.00000 0.00000 0.00003 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00007 48 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000 51 2 H 1S 0.00000 0.00030 0.00000 0.00014 0.00154 52 2S 0.00000 0.00032 0.00000 0.00013 0.00145 53 3S 0.00000 0.00002 0.00000 0.00001 0.00008 54 4S 0.00000 0.00000 0.00000 0.00000 0.00000 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 0.00001 0.00000 0.00001 0.00004 57 5PZ 0.00000 0.00000 0.00000 -0.00001 0.00002 58 6PX -0.00003 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 -0.00001 0.00000 -0.00001 0.00000 60 6PZ 0.00000 0.00000 0.00000 -0.00002 0.00000 61 7PX 0.00006 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 -0.00001 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 -0.00001 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00001 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00017 0.00030 0.00010 0.00003 0.00039 75 2S 0.00044 0.00032 0.00010 0.00003 0.00036 76 3S 0.00015 0.00002 0.00001 0.00000 0.00002 77 4S 0.00000 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 81 6PX 0.00000 -0.00001 -0.00001 0.00000 -0.00001 82 6PY 0.00000 0.00000 0.00000 0.00000 -0.00006 83 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 84 7PX 0.00000 0.00000 0.00000 0.00000 0.00001 85 7PY 0.00002 0.00000 0.00000 0.00000 0.00001 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 -0.00001 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001 96 9D-2 0.00000 0.00001 0.00000 0.00000 0.00000 97 4 H 1S 0.00017 0.00030 0.00010 0.00003 0.00039 98 2S 0.00044 0.00032 0.00010 0.00003 0.00036 99 3S 0.00015 0.00002 0.00001 0.00000 0.00002 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00001 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 104 6PX 0.00000 -0.00001 -0.00001 0.00000 -0.00001 105 6PY 0.00000 0.00000 0.00000 0.00000 -0.00006 106 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00001 108 7PY 0.00002 0.00000 0.00000 0.00000 0.00001 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 -0.00001 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00001 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001 119 9D-2 0.00000 0.00001 0.00000 0.00000 0.00000 41 42 43 44 45 41 15F-2 0.00071 42 15F+3 0.00000 0.00000 43 15F-3 0.00000 0.00000 0.00021 44 16F 0 0.00000 0.00000 0.00000 0.00001 45 16F+1 0.00000 0.00000 0.00000 0.00000 0.00005 46 16F-1 0.00000 0.00000 0.00000 0.00000 0.00000 47 16F+2 0.00000 0.00000 0.00000 0.00000 0.00000 48 16F-2 0.00007 0.00000 0.00000 0.00000 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 -0.00003 0.00000 0.00000 51 2 H 1S 0.00000 0.00000 0.00032 -0.00002 0.00000 52 2S 0.00000 0.00000 0.00033 -0.00003 0.00000 53 3S 0.00000 0.00000 0.00002 0.00000 0.00000 54 4S 0.00000 0.00000 0.00000 0.00000 0.00000 55 5PX -0.00002 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 57 5PZ 0.00000 0.00000 0.00001 0.00000 0.00000 58 6PX -0.00008 0.00000 0.00000 0.00000 0.00000 59 6PY 0.00000 0.00000 -0.00002 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00002 0.00000 0.00000 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00001 0.00000 0.00000 0.00000 -0.00001 71 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 -0.00001 0.00000 0.00000 73 9D-2 0.00001 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00116 0.00000 0.00032 -0.00002 0.00009 75 2S 0.00109 0.00000 0.00033 -0.00003 0.00014 76 3S 0.00006 0.00000 0.00002 0.00000 0.00002 77 4S 0.00000 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00003 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00001 0.00000 0.00001 0.00000 -0.00001 81 6PX -0.00002 0.00000 -0.00002 0.00000 -0.00001 82 6PY -0.00001 0.00000 -0.00001 0.00000 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 84 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00116 0.00000 0.00032 -0.00002 0.00009 98 2S 0.00109 0.00000 0.00033 -0.00003 0.00014 99 3S 0.00006 0.00000 0.00002 0.00000 0.00002 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00003 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00001 0.00000 0.00001 0.00000 -0.00001 104 6PX -0.00002 0.00000 -0.00002 0.00000 -0.00001 105 6PY -0.00001 0.00000 -0.00001 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 -0.00002 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY 0.00001 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 46 47 48 49 50 46 16F-1 0.00005 47 16F+2 0.00000 0.00002 48 16F-2 0.00000 0.00000 0.00002 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 0.00000 0.00000 0.00000 0.00000 0.00001 51 2 H 1S 0.00012 0.00025 0.00000 0.00000 -0.00006 52 2S 0.00018 0.00037 0.00000 0.00000 -0.00010 53 3S 0.00002 0.00005 0.00000 0.00000 -0.00001 54 4S 0.00000 0.00000 0.00000 0.00000 0.00000 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 56 5PY 0.00001 0.00000 0.00000 0.00000 0.00000 57 5PZ -0.00001 0.00000 0.00000 0.00000 0.00000 58 6PX 0.00000 0.00000 -0.00002 0.00000 0.00000 59 6PY -0.00001 0.00000 0.00000 0.00000 0.00001 60 6PZ -0.00002 -0.00001 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00000 0.00001 0.00000 0.00000 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00003 0.00006 0.00019 0.00000 -0.00006 75 2S 0.00005 0.00009 0.00028 0.00000 -0.00010 76 3S 0.00001 0.00001 0.00003 0.00000 -0.00001 77 4S 0.00000 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 82 6PY 0.00000 -0.00001 0.00000 0.00000 0.00000 83 6PZ -0.00001 0.00000 0.00000 0.00000 0.00000 84 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00003 0.00006 0.00019 0.00000 -0.00006 98 2S 0.00005 0.00009 0.00028 0.00000 -0.00010 99 3S 0.00001 0.00001 0.00003 0.00000 -0.00001 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00000 0.00001 105 6PY 0.00000 -0.00001 0.00000 0.00000 0.00000 106 6PZ -0.00001 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY 0.00000 0.00001 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 51 52 53 54 55 51 2 H 1S 0.06700 52 2S 0.07244 0.15776 53 3S 0.01679 0.05497 0.03177 54 4S 0.00037 0.00146 0.00119 0.00010 55 5PX 0.00000 0.00000 0.00000 0.00000 0.00002 56 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 57 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 58 6PX 0.00000 0.00000 0.00000 0.00000 0.00003 59 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 60 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 61 7PX 0.00000 0.00000 0.00000 0.00000 -0.00001 62 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 63 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00000 -0.00008 -0.00023 -0.00001 0.00000 75 2S -0.00008 -0.00030 -0.00023 -0.00002 0.00001 76 3S -0.00023 -0.00023 0.00038 -0.00004 0.00001 77 4S -0.00001 -0.00002 -0.00004 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00003 0.00003 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX 0.00003 0.00021 0.00013 0.00000 0.00000 82 6PY 0.00009 0.00069 0.00043 0.00001 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PX 0.00010 0.00031 0.00013 0.00001 0.00000 85 7PY -0.00050 -0.00169 -0.00096 -0.00002 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00003 0.00001 0.00000 0.00000 92 9D 0 -0.00001 -0.00002 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 -0.00003 -0.00007 -0.00002 0.00000 0.00000 96 9D-2 -0.00003 -0.00012 -0.00004 0.00000 0.00000 97 4 H 1S 0.00000 -0.00008 -0.00023 -0.00001 0.00000 98 2S -0.00008 -0.00030 -0.00023 -0.00002 0.00001 99 3S -0.00023 -0.00023 0.00038 -0.00004 0.00001 100 4S -0.00001 -0.00002 -0.00004 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00003 0.00003 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00003 0.00021 0.00013 0.00000 0.00000 105 6PY 0.00009 0.00069 0.00043 0.00001 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00010 0.00031 0.00013 0.00001 0.00000 108 7PY -0.00050 -0.00169 -0.00096 -0.00002 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00001 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00003 0.00001 0.00000 0.00000 115 9D 0 -0.00001 -0.00002 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 -0.00003 -0.00007 -0.00002 0.00000 0.00000 119 9D-2 -0.00003 -0.00012 -0.00004 0.00000 0.00000 56 57 58 59 60 56 5PY 0.00022 57 5PZ 0.00000 0.00011 58 6PX 0.00000 0.00000 0.00013 59 6PY 0.00009 0.00000 0.00000 0.00039 60 6PZ 0.00000 0.00009 0.00000 0.00000 0.00027 61 7PX 0.00000 0.00000 -0.00010 0.00000 0.00000 62 7PY -0.00001 0.00000 0.00000 -0.00004 0.00000 63 7PZ 0.00000 -0.00001 0.00000 0.00000 -0.00006 64 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00000 0.00000 0.00003 0.00009 0.00000 75 2S 0.00001 0.00000 0.00024 0.00065 0.00000 76 3S 0.00001 0.00000 0.00015 0.00041 0.00000 77 4S 0.00000 0.00000 0.00000 0.00001 0.00000 78 5PX 0.00000 0.00000 0.00000 0.00001 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX 0.00000 0.00000 0.00000 0.00004 0.00000 82 6PY 0.00001 0.00000 0.00000 0.00002 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001 84 7PX 0.00000 0.00000 0.00000 -0.00002 0.00000 85 7PY -0.00001 0.00000 -0.00001 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000 97 4 H 1S 0.00000 0.00000 0.00003 0.00009 0.00000 98 2S 0.00001 0.00000 0.00024 0.00065 0.00000 99 3S 0.00001 0.00000 0.00015 0.00041 0.00000 100 4S 0.00000 0.00000 0.00000 0.00001 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00001 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00004 0.00000 105 6PY 0.00001 0.00000 0.00000 0.00002 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00001 107 7PX 0.00000 0.00000 0.00000 -0.00002 0.00000 108 7PY -0.00001 0.00000 -0.00001 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 -0.00001 0.00000 61 62 63 64 65 61 7PX 0.00024 62 7PY 0.00000 0.00004 63 7PZ 0.00000 0.00000 0.00004 64 8D 0 0.00000 0.00000 0.00000 0.00001 65 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 66 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 67 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 68 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 69 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 71 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S -0.00030 -0.00009 0.00000 0.00000 0.00000 75 2S -0.00100 -0.00038 0.00000 0.00001 0.00000 76 3S -0.00055 -0.00028 0.00000 0.00000 0.00000 77 4S -0.00001 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX -0.00001 -0.00001 0.00000 0.00000 0.00000 82 6PY -0.00001 -0.00001 0.00000 0.00000 0.00000 83 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 84 7PX 0.00001 0.00001 0.00000 0.00000 0.00000 85 7PY 0.00003 0.00000 0.00000 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 97 4 H 1S -0.00030 -0.00009 0.00000 0.00000 0.00000 98 2S -0.00100 -0.00038 0.00000 0.00001 0.00000 99 3S -0.00055 -0.00028 0.00000 0.00000 0.00000 100 4S -0.00001 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX -0.00001 -0.00001 0.00000 0.00000 0.00000 105 6PY -0.00001 -0.00001 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 107 7PX 0.00001 0.00001 0.00000 0.00000 0.00000 108 7PY 0.00003 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 -0.00001 0.00000 0.00000 0.00000 0.00000 66 67 68 69 70 66 8D-1 0.00001 67 8D+2 0.00000 0.00001 68 8D-2 0.00000 0.00000 0.00001 69 9D 0 0.00000 0.00000 0.00000 0.00000 70 9D+1 0.00000 0.00000 0.00000 0.00000 0.00001 71 9D-1 -0.00001 0.00000 0.00000 0.00000 0.00000 72 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 73 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 74 3 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 75 2S 0.00000 0.00001 0.00002 -0.00002 0.00000 76 3S 0.00000 0.00000 0.00001 0.00000 0.00000 77 4S 0.00000 0.00000 0.00000 0.00000 0.00000 78 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 82 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00000 0.00000 0.00000 -0.00001 0.00000 98 2S 0.00000 0.00001 0.00002 -0.00002 0.00000 99 3S 0.00000 0.00000 0.00001 0.00000 0.00000 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 71 72 73 74 75 71 9D-1 0.00003 72 9D+2 0.00000 0.00002 73 9D-2 0.00000 0.00000 0.00001 74 3 H 1S 0.00000 0.00000 -0.00006 0.06700 75 2S 0.00000 -0.00003 -0.00016 0.07244 0.15776 76 3S 0.00000 -0.00001 -0.00005 0.01679 0.05497 77 4S 0.00000 0.00000 0.00000 0.00037 0.00146 78 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 79 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 81 6PX 0.00000 -0.00001 0.00000 0.00000 0.00000 82 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 84 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 85 7PY 0.00000 -0.00001 0.00000 0.00000 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00000 0.00000 -0.00006 0.00000 -0.00008 98 2S 0.00000 -0.00003 -0.00016 -0.00008 -0.00030 99 3S 0.00000 -0.00001 -0.00005 -0.00023 -0.00023 100 4S 0.00000 0.00000 0.00000 -0.00001 -0.00002 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00003 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 -0.00001 0.00000 0.00012 0.00089 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 -0.00039 -0.00138 108 7PY 0.00000 -0.00001 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00001 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00003 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 -0.00001 -0.00002 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 -0.00006 -0.00019 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 76 77 78 79 80 76 3S 0.03177 77 4S 0.00119 0.00010 78 5PX 0.00000 0.00000 0.00017 79 5PY 0.00000 0.00000 0.00000 0.00007 80 5PZ 0.00000 0.00000 0.00000 0.00000 0.00011 81 6PX 0.00000 0.00000 0.00007 0.00000 0.00000 82 6PY 0.00000 0.00000 0.00000 0.00004 0.00000 83 6PZ 0.00000 0.00000 0.00000 0.00000 0.00009 84 7PX 0.00000 0.00000 -0.00001 0.00000 0.00000 85 7PY 0.00000 0.00000 0.00000 -0.00001 0.00000 86 7PZ 0.00000 0.00000 0.00000 0.00000 -0.00001 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S -0.00023 -0.00001 0.00000 0.00000 0.00000 98 2S -0.00023 -0.00002 0.00003 0.00000 0.00000 99 3S 0.00038 -0.00004 0.00003 0.00000 0.00000 100 4S -0.00004 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00003 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00056 0.00001 0.00001 0.00000 0.00000 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 7PX -0.00083 -0.00002 -0.00001 0.00000 0.00000 108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00001 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 -0.00006 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 81 82 83 84 85 81 6PX 0.00033 82 6PY 0.00000 0.00020 83 6PZ 0.00000 0.00000 0.00027 84 7PX -0.00006 0.00000 0.00000 0.00009 85 7PY 0.00000 -0.00009 0.00000 0.00000 0.00019 86 7PZ 0.00000 0.00000 -0.00006 0.00000 0.00000 87 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 88 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 89 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00012 0.00000 0.00000 -0.00039 0.00000 98 2S 0.00089 0.00000 0.00000 -0.00138 0.00000 99 3S 0.00056 0.00000 0.00000 -0.00083 0.00000 100 4S 0.00001 0.00000 0.00000 -0.00002 0.00000 101 5PX 0.00001 0.00000 0.00000 -0.00001 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00006 0.00000 0.00000 -0.00001 0.00000 105 6PY 0.00000 0.00001 0.00000 0.00000 -0.00002 106 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000 107 7PX -0.00001 0.00000 0.00000 0.00002 0.00000 108 7PY 0.00000 -0.00002 0.00000 0.00000 0.00004 109 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00001 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 -0.00001 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 -0.00001 86 87 88 89 90 86 7PZ 0.00004 87 8D 0 0.00000 0.00001 88 8D+1 0.00000 0.00000 0.00001 89 8D-1 0.00000 0.00000 0.00000 0.00000 90 8D+2 0.00000 0.00000 0.00000 0.00000 0.00001 91 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 92 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 94 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00000 0.00000 0.00000 0.00000 0.00000 98 2S 0.00000 0.00001 0.00000 0.00000 0.00003 99 3S 0.00000 0.00000 0.00000 0.00000 0.00001 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ -0.00001 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00001 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 91 92 93 94 95 91 8D-2 0.00001 92 9D 0 0.00000 0.00000 93 9D+1 0.00000 0.00000 0.00002 94 9D-1 0.00000 0.00000 0.00000 0.00001 95 9D+2 0.00000 0.00000 0.00000 0.00000 0.00001 96 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 97 4 H 1S 0.00000 -0.00001 0.00000 0.00000 -0.00006 98 2S 0.00000 -0.00002 0.00000 0.00000 -0.00019 99 3S 0.00000 0.00000 0.00000 0.00000 -0.00006 100 4S 0.00000 0.00000 0.00000 0.00000 0.00000 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00000 -0.00001 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00001 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY 0.00000 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 96 97 98 99 100 96 9D-2 0.00002 97 4 H 1S 0.00000 0.06700 98 2S 0.00000 0.07244 0.15776 99 3S 0.00000 0.01679 0.05497 0.03177 100 4S 0.00000 0.00037 0.00146 0.00119 0.00010 101 5PX 0.00000 0.00000 0.00000 0.00000 0.00000 102 5PY 0.00000 0.00000 0.00000 0.00000 0.00000 103 5PZ 0.00000 0.00000 0.00000 0.00000 0.00000 104 6PX 0.00000 0.00000 0.00000 0.00000 0.00000 105 6PY 0.00000 0.00000 0.00000 0.00000 0.00000 106 6PZ 0.00000 0.00000 0.00000 0.00000 0.00000 107 7PX 0.00000 0.00000 0.00000 0.00000 0.00000 108 7PY -0.00001 0.00000 0.00000 0.00000 0.00000 109 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 101 102 103 104 105 101 5PX 0.00017 102 5PY 0.00000 0.00007 103 5PZ 0.00000 0.00000 0.00011 104 6PX 0.00007 0.00000 0.00000 0.00033 105 6PY 0.00000 0.00004 0.00000 0.00000 0.00020 106 6PZ 0.00000 0.00000 0.00009 0.00000 0.00000 107 7PX -0.00001 0.00000 0.00000 -0.00006 0.00000 108 7PY 0.00000 -0.00001 0.00000 0.00000 -0.00009 109 7PZ 0.00000 0.00000 -0.00001 0.00000 0.00000 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00000 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 106 107 108 109 110 106 6PZ 0.00027 107 7PX 0.00000 0.00009 108 7PY 0.00000 0.00000 0.00019 109 7PZ -0.00006 0.00000 0.00000 0.00004 110 8D 0 0.00000 0.00000 0.00000 0.00000 0.00001 111 8D+1 0.00000 0.00000 0.00000 0.00000 0.00000 112 8D-1 0.00000 0.00000 0.00000 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00000 0.00000 0.00000 114 8D-2 0.00000 0.00000 0.00000 0.00000 0.00000 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 111 112 113 114 115 111 8D+1 0.00001 112 8D-1 0.00000 0.00000 113 8D+2 0.00000 0.00000 0.00001 114 8D-2 0.00000 0.00000 0.00000 0.00001 115 9D 0 0.00000 0.00000 0.00000 0.00000 0.00000 116 9D+1 0.00000 0.00000 0.00000 0.00000 0.00000 117 9D-1 0.00000 0.00000 0.00000 0.00000 0.00000 118 9D+2 0.00000 0.00000 0.00000 0.00000 0.00000 119 9D-2 0.00000 0.00000 0.00000 0.00000 0.00000 116 117 118 119 116 9D+1 0.00002 117 9D-1 0.00000 0.00001 118 9D+2 0.00000 0.00000 0.00001 119 9D-2 0.00000 0.00000 0.00000 0.00002 Gross orbital populations: Total Alpha Beta Spin 1 1 P 1S 1.99999 1.00000 1.00000 0.00000 2 2S 1.92573 0.96286 0.96286 0.00000 3 3S 1.02411 0.51206 0.51206 0.00000 4 4S 0.15495 0.07748 0.07748 0.00000 5 5S 0.50518 0.25259 0.25259 0.00000 6 6S -0.03438 -0.01719 -0.01719 0.00000 7 7PX 1.92768 0.96384 0.96384 0.00000 8 7PY 1.92768 0.96384 0.96384 0.00000 9 7PZ 1.93380 0.96690 0.96690 0.00000 10 8PX 0.57924 0.28962 0.28962 0.00000 11 8PY 0.57924 0.28962 0.28962 0.00000 12 8PZ 0.77050 0.38525 0.38525 0.00000 13 9PX 0.17086 0.08543 0.08543 0.00000 14 9PY 0.17086 0.08543 0.08543 0.00000 15 9PZ 0.21266 0.10633 0.10633 0.00000 16 10PX 0.29814 0.14907 0.14907 0.00000 17 10PY 0.29814 0.14907 0.14907 0.00000 18 10PZ 0.50728 0.25364 0.25364 0.00000 19 11PX -0.00032 -0.00016 -0.00016 0.00000 20 11PY -0.00032 -0.00016 -0.00016 0.00000 21 11PZ 0.01860 0.00930 0.00930 0.00000 22 12D 0 0.00001 0.00001 0.00001 0.00000 23 12D+1 0.04840 0.02420 0.02420 0.00000 24 12D-1 0.04840 0.02420 0.02420 0.00000 25 12D+2 0.02731 0.01366 0.01366 0.00000 26 12D-2 0.02731 0.01366 0.01366 0.00000 27 13D 0 0.00006 0.00003 0.00003 0.00000 28 13D+1 0.02361 0.01181 0.01181 0.00000 29 13D-1 0.02361 0.01181 0.01181 0.00000 30 13D+2 0.01357 0.00679 0.00679 0.00000 31 13D-2 0.01357 0.00679 0.00679 0.00000 32 14D 0 0.00000 0.00000 0.00000 0.00000 33 14D+1 0.01128 0.00564 0.00564 0.00000 34 14D-1 0.01128 0.00564 0.00564 0.00000 35 14D+2 0.00209 0.00104 0.00104 0.00000 36 14D-2 0.00209 0.00104 0.00104 0.00000 37 15F 0 0.00217 0.00108 0.00108 0.00000 38 15F+1 0.00046 0.00023 0.00023 0.00000 39 15F-1 0.00046 0.00023 0.00023 0.00000 40 15F+2 0.00535 0.00268 0.00268 0.00000 41 15F-2 0.00535 0.00268 0.00268 0.00000 42 15F+3 0.00000 0.00000 0.00000 0.00000 43 15F-3 0.00217 0.00108 0.00108 0.00000 44 16F 0 -0.00013 -0.00006 -0.00006 0.00000 45 16F+1 0.00050 0.00025 0.00025 0.00000 46 16F-1 0.00050 0.00025 0.00025 0.00000 47 16F+2 0.00108 0.00054 0.00054 0.00000 48 16F-2 0.00108 0.00054 0.00054 0.00000 49 16F+3 0.00000 0.00000 0.00000 0.00000 50 16F-3 -0.00049 -0.00024 -0.00024 0.00000 51 2 H 1S 0.23925 0.11963 0.11963 0.00000 52 2S 0.50315 0.25158 0.25158 0.00000 53 3S 0.16324 0.08162 0.08162 0.00000 54 4S 0.00501 0.00250 0.00250 0.00000 55 5PX 0.00036 0.00018 0.00018 0.00000 56 5PY 0.00285 0.00142 0.00142 0.00000 57 5PZ 0.00171 0.00085 0.00085 0.00000 58 6PX 0.00372 0.00186 0.00186 0.00000 59 6PY 0.00835 0.00417 0.00417 0.00000 60 6PZ 0.00718 0.00359 0.00359 0.00000 61 7PX -0.01006 -0.00503 -0.00503 0.00000 62 7PY -0.00110 -0.00055 -0.00055 0.00000 63 7PZ -0.00430 -0.00215 -0.00215 0.00000 64 8D 0 0.00023 0.00012 0.00012 0.00000 65 8D+1 0.00004 0.00002 0.00002 0.00000 66 8D-1 0.00030 0.00015 0.00015 0.00000 67 8D+2 0.00029 0.00015 0.00015 0.00000 68 8D-2 0.00024 0.00012 0.00012 0.00000 69 9D 0 0.00009 0.00004 0.00004 0.00000 70 9D+1 0.00042 0.00021 0.00021 0.00000 71 9D-1 0.00022 0.00011 0.00011 0.00000 72 9D+2 -0.00011 -0.00006 -0.00006 0.00000 73 9D-2 -0.00132 -0.00066 -0.00066 0.00000 74 3 H 1S 0.23925 0.11963 0.11963 0.00000 75 2S 0.50315 0.25158 0.25158 0.00000 76 3S 0.16324 0.08162 0.08162 0.00000 77 4S 0.00501 0.00250 0.00250 0.00000 78 5PX 0.00223 0.00111 0.00111 0.00000 79 5PY 0.00098 0.00049 0.00049 0.00000 80 5PZ 0.00171 0.00085 0.00085 0.00000 81 6PX 0.00719 0.00360 0.00360 0.00000 82 6PY 0.00488 0.00244 0.00244 0.00000 83 6PZ 0.00718 0.00359 0.00359 0.00000 84 7PX -0.00334 -0.00167 -0.00167 0.00000 85 7PY -0.00782 -0.00391 -0.00391 0.00000 86 7PZ -0.00430 -0.00215 -0.00215 0.00000 87 8D 0 0.00023 0.00012 0.00012 0.00000 88 8D+1 0.00024 0.00012 0.00012 0.00000 89 8D-1 0.00011 0.00005 0.00005 0.00000 90 8D+2 0.00026 0.00013 0.00013 0.00000 91 8D-2 0.00028 0.00014 0.00014 0.00000 92 9D 0 0.00009 0.00004 0.00004 0.00000 93 9D+1 0.00027 0.00013 0.00013 0.00000 94 9D-1 0.00037 0.00018 0.00018 0.00000 95 9D+2 -0.00102 -0.00051 -0.00051 0.00000 96 9D-2 -0.00041 -0.00021 -0.00021 0.00000 97 4 H 1S 0.23925 0.11963 0.11963 0.00000 98 2S 0.50315 0.25158 0.25158 0.00000 99 3S 0.16324 0.08162 0.08162 0.00000 100 4S 0.00501 0.00250 0.00250 0.00000 101 5PX 0.00223 0.00111 0.00111 0.00000 102 5PY 0.00098 0.00049 0.00049 0.00000 103 5PZ 0.00171 0.00085 0.00085 0.00000 104 6PX 0.00719 0.00360 0.00360 0.00000 105 6PY 0.00488 0.00244 0.00244 0.00000 106 6PZ 0.00718 0.00359 0.00359 0.00000 107 7PX -0.00334 -0.00167 -0.00167 0.00000 108 7PY -0.00782 -0.00391 -0.00391 0.00000 109 7PZ -0.00430 -0.00215 -0.00215 0.00000 110 8D 0 0.00023 0.00012 0.00012 0.00000 111 8D+1 0.00024 0.00012 0.00012 0.00000 112 8D-1 0.00011 0.00005 0.00005 0.00000 113 8D+2 0.00026 0.00013 0.00013 0.00000 114 8D-2 0.00028 0.00014 0.00014 0.00000 115 9D 0 0.00009 0.00004 0.00004 0.00000 116 9D+1 0.00027 0.00013 0.00013 0.00000 117 9D-1 0.00037 0.00018 0.00018 0.00000 118 9D+2 -0.00102 -0.00051 -0.00051 0.00000 119 9D-2 -0.00041 -0.00021 -0.00021 0.00000 Condensed to atoms (all electrons): 1 2 3 4 1 P 14.117137 0.374533 0.374533 0.374533 2 H 0.374533 0.552543 -0.003660 -0.003660 3 H 0.374533 -0.003660 0.552543 -0.003660 4 H 0.374533 -0.003660 -0.003660 0.552543 Atomic-Atomic Spin Densities. 1 2 3 4 1 P 0.000000 0.000000 0.000000 0.000000 2 H 0.000000 0.000000 0.000000 0.000000 3 H 0.000000 0.000000 0.000000 0.000000 4 H 0.000000 0.000000 0.000000 0.000000 Mulliken charges and spin densities: 1 2 1 P -0.240735 0.000000 2 H 0.080245 0.000000 3 H 0.080245 0.000000 4 H 0.080245 0.000000 Sum of Mulliken charges = 0.00000 0.00000 Mulliken charges and spin densities with hydrogens summed into heavy atoms: 1 2 1 P 0.000000 0.000000 Electronic spatial extent (au): = 55.6197 Charge= 0.0000 electrons Dipole moment (field-independent basis, Debye): X= 0.0000 Y= 0.0000 Z= -0.6719 Tot= 0.6719 Quadrupole moment (field-independent basis, Debye-Ang): XX= -14.9036 YY= -14.9036 ZZ= -17.3000 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Traceless Quadrupole moment (field-independent basis, Debye-Ang): XX= 0.7988 YY= 0.7988 ZZ= -1.5976 XY= 0.0000 XZ= 0.0000 YZ= 0.0000 Octapole moment (field-independent basis, Debye-Ang**2): XXX= 0.0000 YYY= -0.1184 ZZZ= -1.7204 XYY= 0.0000 XXY= 0.1184 XXZ= -0.2351 XZZ= 0.0000 YZZ= 0.0000 YYZ= -0.2351 XYZ= 0.0000 Hexadecapole moment (field-independent basis, Debye-Ang**3): XXXX= -31.5263 YYYY= -31.5263 ZZZZ= -37.2666 XXXY= 0.0000 XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.6098 ZZZX= 0.0000 ZZZY= 0.0000 XXYY= -10.5088 XXZZ= -11.0236 YYZZ= -11.0236 XXYZ= 0.6098 YYXZ= 0.0000 ZZXY= 0.0000 N-N= 1.751352843320D+01 E-N=-8.506940537358D+02 KE= 3.424279455498D+02 Symmetry A' KE= 3.108607799317D+02 Symmetry A" KE= 3.156716561812D+01 Orbital energies and kinetic energies (alpha): 1 2 1 (A1)--O -79.947241 106.213618 2 (A1)--O -7.489719 15.857853 3 (E)--O -5.383110 14.764826 4 (E)--O -5.383110 14.764826 5 (A1)--O -5.382208 14.788444 6 (A1)--O -0.854250 1.455545 7 (E)--O -0.519735 1.018757 8 (E)--O -0.519735 1.018757 9 (A1)--O -0.388938 1.331347 10 (A1)--V 0.029233 0.084930 11 (E)--V 0.053760 0.075639 12 (E)--V 0.053760 0.075639 13 (A1)--V 0.081786 0.145602 14 (E)--V 0.090249 0.160347 15 (E)--V 0.090249 0.160347 16 (A1)--V 0.137606 0.389663 17 (E)--V 0.167388 0.601683 18 (E)--V 0.167388 0.601683 19 (E)--V 0.199811 0.286093 20 (E)--V 0.199811 0.286093 21 (A1)--V 0.201679 0.291678 22 (E)--V 0.275990 0.412706 23 (E)--V 0.275990 0.412706 24 (A1)--V 0.291601 0.442879 25 (E)--V 0.308105 0.366790 26 (E)--V 0.308105 0.366790 27 (A1)--V 0.324601 0.549220 28 (E)--V 0.326588 0.355910 29 (E)--V 0.326588 0.355910 30 (A2)--V 0.332868 0.353059 31 (E)--V 0.380208 0.767527 32 (E)--V 0.380208 0.767527 33 (A1)--V 0.383666 0.980931 34 (E)--V 0.567248 0.938574 35 (E)--V 0.567248 0.938574 36 (A1)--V 0.568726 0.964305 37 (E)--V 0.601423 0.921025 38 (E)--V 0.601423 0.921025 39 (A1)--V 0.631420 0.925186 40 (A1)--V 0.657895 0.971939 41 (A1)--V 0.666533 0.997486 42 (E)--V 0.729923 0.882637 43 (E)--V 0.729923 0.882637 44 (A2)--V 0.748576 0.841111 45 (E)--V 0.765436 1.141896 46 (E)--V 0.765436 1.141896 47 (E)--V 0.783275 1.103392 48 (E)--V 0.783275 1.103392 49 (A1)--V 0.860021 1.664453 50 (E)--V 0.932180 1.054726 51 (E)--V 0.932180 1.054726 52 (A1)--V 0.966964 1.384918 53 (A2)--V 0.976763 1.045083 54 (E)--V 1.005524 1.121414 55 (E)--V 1.005524 1.121414 56 (E)--V 1.027760 1.113440 57 (E)--V 1.027760 1.113440 58 (A1)--V 1.033712 1.097783 59 (E)--V 1.149260 1.307047 60 (E)--V 1.149260 1.307047 61 (A1)--V 1.171815 1.347477 62 (E)--V 1.198899 1.281485 63 (E)--V 1.198899 1.281485 64 (E)--V 1.261792 1.893916 65 (E)--V 1.261792 1.893916 66 (A2)--V 1.272554 1.314532 67 (A1)--V 1.470200 2.158944 68 (E)--V 1.503049 1.827883 69 (E)--V 1.503049 1.827883 70 (A2)--V 1.510724 1.747995 71 (E)--V 1.626011 2.035921 72 (E)--V 1.626011 2.035921 73 (A1)--V 1.642824 2.577316 74 (E)--V 1.676937 2.576003 75 (E)--V 1.676937 2.576003 76 (E)--V 1.788589 2.632237 77 (E)--V 1.788589 2.632237 78 (A1)--V 1.794970 2.714708 79 (A1)--V 1.886532 2.368690 80 (A1)--V 1.991015 4.008976 81 (E)--V 2.155590 2.870582 82 (E)--V 2.155590 2.870582 83 (A2)--V 2.168386 2.629769 84 (E)--V 2.268986 2.810248 85 (E)--V 2.268986 2.810248 86 (A1)--V 2.313694 3.000116 87 (E)--V 2.416197 3.574405 88 (E)--V 2.416197 3.574405 89 (A1)--V 2.696298 7.056179 90 (E)--V 2.909229 6.050666 91 (E)--V 2.909229 6.050666 92 (A1)--V 3.454775 5.332736 93 (E)--V 3.584962 6.504824 94 (E)--V 3.584962 6.504824 95 (E)--V 3.905341 4.180846 96 (E)--V 3.905341 4.180846 97 (A2)--V 3.921808 4.225611 98 (E)--V 3.989717 4.424793 99 (E)--V 3.989717 4.424793 100 (A1)--V 4.115521 4.407554 101 (E)--V 4.129594 4.512716 102 (E)--V 4.129594 4.512716 103 (A2)--V 4.198774 4.526797 104 (A1)--V 4.314462 4.934942 105 (E)--V 4.439566 4.980070 106 (E)--V 4.439566 4.980070 107 (A1)--V 4.475446 5.473504 108 (E)--V 4.521805 5.085006 109 (E)--V 4.521805 5.085006 110 (A2)--V 4.541777 5.096889 111 (A1)--V 4.670007 5.237650 112 (E)--V 4.744111 5.304288 113 (E)--V 4.744111 5.304288 114 (E)--V 4.809686 5.501725 115 (E)--V 4.809686 5.501725 116 (A1)--V 4.862206 6.735623 117 (E)--V 5.339682 6.186590 118 (E)--V 5.339682 6.186590 119 (A1)--V 8.414155 14.844467 Total kinetic energy from orbitals= 3.424279455498D+02 Isotropic Fermi Contact Couplings Atom a.u. MegaHertz Gauss 10(-4) cm-1 1 P(31) 0.00000 0.00000 0.00000 0.00000 2 H(1) 0.00000 0.00000 0.00000 0.00000 3 H(1) 0.00000 0.00000 0.00000 0.00000 4 H(1) 0.00000 0.00000 0.00000 0.00000 -------------------------------------------------------- Center ---- Spin Dipole Couplings ---- 3XX-RR 3YY-RR 3ZZ-RR -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- XY XZ YZ -------------------------------------------------------- 1 Atom 0.000000 0.000000 0.000000 2 Atom 0.000000 0.000000 0.000000 3 Atom 0.000000 0.000000 0.000000 4 Atom 0.000000 0.000000 0.000000 -------------------------------------------------------- --------------------------------------------------------------------------------- Anisotropic Spin Dipole Couplings in Principal Axis System --------------------------------------------------------------------------------- Atom a.u. MegaHertz Gauss 10(-4) cm-1 Axes Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 1 P(31) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 2 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 3 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 Baa 0.0000 0.000 0.000 0.000 1.0000 0.0000 0.0000 4 H(1) Bbb 0.0000 0.000 0.000 0.000 0.0000 1.0000 0.0000 Bcc 0.0000 0.000 0.000 0.000 0.0000 0.0000 1.0000 --------------------------------------------------------------------------------- No NMR shielding tensors so no spin-rotation constants. Leave Link 601 at Fri Apr 5 09:26:45 2019, MaxMem= 13421772800 cpu: 7.1 (Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe) 1\1\GINC-COMPUTE-3-8\SP\ROCCSD(T)-FC\Aug-CC-pVTZ\H3P1\LOOS\05-Apr-2019 \0\\#p ROCCSD(T) aug-cc-pVTZ pop=full gfprint\\G2\\0,1\P\X,1,1.\H,1,1. 42205572,2,122.9486097\H,1,1.42205572,2,122.9486097,3,120.,0\H,1,1.422 05572,2,122.9486097,3,-120.,0\\Version=ES64L-G09RevD.01\State=1-A1\HF= -342.487572\MP2=-342.6611758\MP3=-342.6860899\PUHF=-342.487572\PMP2-0= -342.6611758\MP4SDQ=-342.688929\CCSD=-342.6891294\CCSD(T)=-342.6962863 \RMSD=7.312e-09\PG=C03V [C3(P1),3SGV(H1)]\\@ TERRY FORSTER, PORTLY ATLANTA BRAVES RELIEVER, ANNOUNCING THAT HE WAS GOING TO A FAT FARM: "A WAIST IS A TERRIBLE THING TO MIND." Job cpu time: 0 days 2 hours 16 minutes 1.8 seconds. File lengths (MBytes): RWF= 248 Int= 0 D2E= 0 Chk= 2 Scr= 1 Normal termination of Gaussian 09 at Fri Apr 5 09:26:45 2019.