loos/srDFT_G2
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity
0b8e15a568
srDFT_G2/G09/Large_core/Molecules/avtz/PH3.out

8499 lines
572 KiB
Plaintext
Raw Normal View History

aug
2019-04-05 09:54:06 +02:00
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
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 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.
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 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): <R**2>= 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.
Reference in New Issue Copy Permalink