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srDFT_G2/G09/Large_core/Molecules/v5z/NH3.out
Pierre-Francois Loos ca128a0e6d data
2019-04-04 11:10:45 +02:00

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Entering Gaussian System, Link 0=g09
Input=NH3.inp
Output=NH3.out
Initial command:
/share/apps/gaussian/g09d01/nehalem/g09/l1.exe "/mnt/beegfs/tmpdir/42440/Gau-143026.inp" -scrdir="/mnt/beegfs/tmpdir/42440/"
Entering Link 1 = /share/apps/gaussian/g09d01/nehalem/g09/l1.exe PID= 143027.
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
4-Apr-2019
******************************************
%nproc=24
Will use up to 24 processors via shared memory.
%mem=100GB
-------------------------------------
#p ROCCSD(T) cc-pV5Z pop=full gfprint
-------------------------------------
1/38=1/1;
2/12=2,17=6,18=5,40=1/2;
3/5=16,6=3,11=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 Thu Apr 4 10:14:23 2019, MaxMem= 13421772800 cpu: 2.1
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l101.exe)
--
G2
--
Symbolic Z-matrix:
Charge = 0 Multiplicity = 1
N
X 1 1.
H 1 RNH 2 XNH
H 1 RNH 2 XNH 3 120. 0
H 1 RNH 2 XNH 3 240. 0
Variables:
RNH 1.01719
XNH 113.26167
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= 14 1 1 1
AtmWgt= 14.0030740 1.0078250 1.0078250 1.0078250
NucSpn= 2 1 1 1
AtZEff= 0.0000000 0.0000000 0.0000000 0.0000000
NQMom= 2.0440000 0.0000000 0.0000000 0.0000000
NMagM= 0.4037610 2.7928460 2.7928460 2.7928460
AtZNuc= 7.0000000 1.0000000 1.0000000 1.0000000
Leave Link 101 at Thu Apr 4 10:14:23 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 7 0 0.000000 0.000000 0.000000
2 1 0 0.934507 0.000000 -0.401722
3 1 0 -0.467254 -0.809307 -0.401722
4 1 0 -0.467254 0.809307 -0.401722
---------------------------------------------------------------------
Distance matrix (angstroms):
1 2 3 4
1 N 0.000000
2 H 1.017194 0.000000
3 H 1.017194 1.618614 0.000000
4 H 1.017194 1.618614 1.618614 0.000000
Stoichiometry H3N
Framework group C3V[C3(N),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 7 0 0.000000 0.000000 0.120516
2 1 0 0.000000 0.934507 -0.281205
3 1 0 0.809307 -0.467254 -0.281205
4 1 0 -0.809307 -0.467254 -0.281205
---------------------------------------------------------------------
Rotational constants (GHZ): 293.5703380 293.5703380 191.4014844
Leave Link 202 at Thu Apr 4 10:14:23 2019, MaxMem= 13421772800 cpu: 0.3
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l301.exe)
Standard basis: CC-pV5Z (5D, 7F)
Ernie: Thresh= 0.10000D-02 Tol= 0.10000D-05 Strict=F.
Ernie: 4 primitive shells out of 96 were deleted.
AO basis set (Overlap normalization):
Atom N1 Shell 1 S 9 bf 1 - 1 0.000000000000 0.000000000000 0.227743117972
0.1292000000D+06 0.4103363873D-04
0.1935000000D+05 0.3492031998D-03
0.4404000000D+04 0.1818809275D-02
0.1248000000D+04 0.7582148970D-02
0.4080000000D+03 0.2690654792D-01
0.1482000000D+03 0.8043560546D-01
0.5850000000D+02 0.2004677438D+00
0.2459000000D+02 0.3727408886D+00
0.1081000000D+02 0.4288095098D+00
Atom N1 Shell 2 S 7 bf 2 - 2 0.000000000000 0.000000000000 0.227743117972
0.1248000000D+04 -0.5373615827D-04
0.4080000000D+03 -0.2659240897D-03
0.1482000000D+03 -0.2885829276D-02
0.5850000000D+02 -0.1497518415D-01
0.2459000000D+02 -0.8040412273D-01
0.1081000000D+02 -0.2775818217D+00
0.4882000000D+01 -0.6753965755D+00
Atom N1 Shell 3 S 1 bf 3 - 3 0.000000000000 0.000000000000 0.227743117972
0.2195000000D+01 0.1000000000D+01
Atom N1 Shell 4 S 1 bf 4 - 4 0.000000000000 0.000000000000 0.227743117972
0.8715000000D+00 0.1000000000D+01
Atom N1 Shell 5 S 1 bf 5 - 5 0.000000000000 0.000000000000 0.227743117972
0.3504000000D+00 0.1000000000D+01
Atom N1 Shell 6 S 1 bf 6 - 6 0.000000000000 0.000000000000 0.227743117972
0.1397000000D+00 0.1000000000D+01
Atom N1 Shell 7 P 4 bf 7 - 9 0.000000000000 0.000000000000 0.227743117972
0.1470000000D+03 0.6498223793D-02
0.3476000000D+02 0.5159240011D-01
0.1100000000D+02 0.2390646995D+00
0.3995000000D+01 0.7883030251D+00
Atom N1 Shell 8 P 1 bf 10 - 12 0.000000000000 0.000000000000 0.227743117972
0.1587000000D+01 0.1000000000D+01
Atom N1 Shell 9 P 1 bf 13 - 15 0.000000000000 0.000000000000 0.227743117972
0.6533000000D+00 0.1000000000D+01
Atom N1 Shell 10 P 1 bf 16 - 18 0.000000000000 0.000000000000 0.227743117972
0.2686000000D+00 0.1000000000D+01
Atom N1 Shell 11 P 1 bf 19 - 21 0.000000000000 0.000000000000 0.227743117972
0.1067000000D+00 0.1000000000D+01
Atom N1 Shell 12 D 1 bf 22 - 26 0.000000000000 0.000000000000 0.227743117972
0.4647000000D+01 0.1000000000D+01
Atom N1 Shell 13 D 1 bf 27 - 31 0.000000000000 0.000000000000 0.227743117972
0.1813000000D+01 0.1000000000D+01
Atom N1 Shell 14 D 1 bf 32 - 36 0.000000000000 0.000000000000 0.227743117972
0.7070000000D+00 0.1000000000D+01
Atom N1 Shell 15 D 1 bf 37 - 41 0.000000000000 0.000000000000 0.227743117972
0.2760000000D+00 0.1000000000D+01
Atom N1 Shell 16 F 1 bf 42 - 48 0.000000000000 0.000000000000 0.227743117972
0.2942000000D+01 0.1000000000D+01
Atom N1 Shell 17 F 1 bf 49 - 55 0.000000000000 0.000000000000 0.227743117972
0.1204000000D+01 0.1000000000D+01
Atom N1 Shell 18 F 1 bf 56 - 62 0.000000000000 0.000000000000 0.227743117972
0.4930000000D+00 0.1000000000D+01
Atom N1 Shell 19 G 1 bf 63 - 71 0.000000000000 0.000000000000 0.227743117972
0.2511000000D+01 0.1000000000D+01
Atom N1 Shell 20 G 1 bf 72 - 80 0.000000000000 0.000000000000 0.227743117972
0.9420000000D+00 0.1000000000D+01
Atom N1 Shell 21 H 1 bf 81 - 91 0.000000000000 0.000000000000 0.227743117972
0.1768000000D+01 0.1000000000D+01
Atom H2 Shell 22 S 4 bf 92 - 92 0.000000000000 1.765963069361 -0.531400608601
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H2 Shell 23 S 1 bf 93 - 93 0.000000000000 1.765963069361 -0.531400608601
0.1283000000D+01 0.1000000000D+01
Atom H2 Shell 24 S 1 bf 94 - 94 0.000000000000 1.765963069361 -0.531400608601
0.4655000000D+00 0.1000000000D+01
Atom H2 Shell 25 S 1 bf 95 - 95 0.000000000000 1.765963069361 -0.531400608601
0.1811000000D+00 0.1000000000D+01
Atom H2 Shell 26 S 1 bf 96 - 96 0.000000000000 1.765963069361 -0.531400608601
0.7279000000D-01 0.1000000000D+01
Atom H2 Shell 27 P 1 bf 97 - 99 0.000000000000 1.765963069361 -0.531400608601
0.4516000000D+01 0.1000000000D+01
Atom H2 Shell 28 P 1 bf 100 - 102 0.000000000000 1.765963069361 -0.531400608601
0.1712000000D+01 0.1000000000D+01
Atom H2 Shell 29 P 1 bf 103 - 105 0.000000000000 1.765963069361 -0.531400608601
0.6490000000D+00 0.1000000000D+01
Atom H2 Shell 30 P 1 bf 106 - 108 0.000000000000 1.765963069361 -0.531400608601
0.2460000000D+00 0.1000000000D+01
Atom H2 Shell 31 D 1 bf 109 - 113 0.000000000000 1.765963069361 -0.531400608601
0.2950000000D+01 0.1000000000D+01
Atom H2 Shell 32 D 1 bf 114 - 118 0.000000000000 1.765963069361 -0.531400608601
0.1206000000D+01 0.1000000000D+01
Atom H2 Shell 33 D 1 bf 119 - 123 0.000000000000 1.765963069361 -0.531400608601
0.4930000000D+00 0.1000000000D+01
Atom H2 Shell 34 F 1 bf 124 - 130 0.000000000000 1.765963069361 -0.531400608601
0.2506000000D+01 0.1000000000D+01
Atom H2 Shell 35 F 1 bf 131 - 137 0.000000000000 1.765963069361 -0.531400608601
0.8750000000D+00 0.1000000000D+01
Atom H2 Shell 36 G 1 bf 138 - 146 0.000000000000 1.765963069361 -0.531400608601
0.2358000000D+01 0.1000000000D+01
Atom H3 Shell 37 S 4 bf 147 - 147 1.529368880212 -0.882981534680 -0.531400608601
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H3 Shell 38 S 1 bf 148 - 148 1.529368880212 -0.882981534680 -0.531400608601
0.1283000000D+01 0.1000000000D+01
Atom H3 Shell 39 S 1 bf 149 - 149 1.529368880212 -0.882981534680 -0.531400608601
0.4655000000D+00 0.1000000000D+01
Atom H3 Shell 40 S 1 bf 150 - 150 1.529368880212 -0.882981534680 -0.531400608601
0.1811000000D+00 0.1000000000D+01
Atom H3 Shell 41 S 1 bf 151 - 151 1.529368880212 -0.882981534680 -0.531400608601
0.7279000000D-01 0.1000000000D+01
Atom H3 Shell 42 P 1 bf 152 - 154 1.529368880212 -0.882981534680 -0.531400608601
0.4516000000D+01 0.1000000000D+01
Atom H3 Shell 43 P 1 bf 155 - 157 1.529368880212 -0.882981534680 -0.531400608601
0.1712000000D+01 0.1000000000D+01
Atom H3 Shell 44 P 1 bf 158 - 160 1.529368880212 -0.882981534680 -0.531400608601
0.6490000000D+00 0.1000000000D+01
Atom H3 Shell 45 P 1 bf 161 - 163 1.529368880212 -0.882981534680 -0.531400608601
0.2460000000D+00 0.1000000000D+01
Atom H3 Shell 46 D 1 bf 164 - 168 1.529368880212 -0.882981534680 -0.531400608601
0.2950000000D+01 0.1000000000D+01
Atom H3 Shell 47 D 1 bf 169 - 173 1.529368880212 -0.882981534680 -0.531400608601
0.1206000000D+01 0.1000000000D+01
Atom H3 Shell 48 D 1 bf 174 - 178 1.529368880212 -0.882981534680 -0.531400608601
0.4930000000D+00 0.1000000000D+01
Atom H3 Shell 49 F 1 bf 179 - 185 1.529368880212 -0.882981534680 -0.531400608601
0.2506000000D+01 0.1000000000D+01
Atom H3 Shell 50 F 1 bf 186 - 192 1.529368880212 -0.882981534680 -0.531400608601
0.8750000000D+00 0.1000000000D+01
Atom H3 Shell 51 G 1 bf 193 - 201 1.529368880212 -0.882981534680 -0.531400608601
0.2358000000D+01 0.1000000000D+01
Atom H4 Shell 52 S 4 bf 202 - 202 -1.529368880212 -0.882981534680 -0.531400608601
0.4020000000D+03 0.5088104278D-02
0.6024000000D+02 0.3948295972D-01
0.1373000000D+02 0.2042718854D+00
0.3905000000D+01 0.8184370745D+00
Atom H4 Shell 53 S 1 bf 203 - 203 -1.529368880212 -0.882981534680 -0.531400608601
0.1283000000D+01 0.1000000000D+01
Atom H4 Shell 54 S 1 bf 204 - 204 -1.529368880212 -0.882981534680 -0.531400608601
0.4655000000D+00 0.1000000000D+01
Atom H4 Shell 55 S 1 bf 205 - 205 -1.529368880212 -0.882981534680 -0.531400608601
0.1811000000D+00 0.1000000000D+01
Atom H4 Shell 56 S 1 bf 206 - 206 -1.529368880212 -0.882981534680 -0.531400608601
0.7279000000D-01 0.1000000000D+01
Atom H4 Shell 57 P 1 bf 207 - 209 -1.529368880212 -0.882981534680 -0.531400608601
0.4516000000D+01 0.1000000000D+01
Atom H4 Shell 58 P 1 bf 210 - 212 -1.529368880212 -0.882981534680 -0.531400608601
0.1712000000D+01 0.1000000000D+01
Atom H4 Shell 59 P 1 bf 213 - 215 -1.529368880212 -0.882981534680 -0.531400608601
0.6490000000D+00 0.1000000000D+01
Atom H4 Shell 60 P 1 bf 216 - 218 -1.529368880212 -0.882981534680 -0.531400608601
0.2460000000D+00 0.1000000000D+01
Atom H4 Shell 61 D 1 bf 219 - 223 -1.529368880212 -0.882981534680 -0.531400608601
0.2950000000D+01 0.1000000000D+01
Atom H4 Shell 62 D 1 bf 224 - 228 -1.529368880212 -0.882981534680 -0.531400608601
0.1206000000D+01 0.1000000000D+01
Atom H4 Shell 63 D 1 bf 229 - 233 -1.529368880212 -0.882981534680 -0.531400608601
0.4930000000D+00 0.1000000000D+01
Atom H4 Shell 64 F 1 bf 234 - 240 -1.529368880212 -0.882981534680 -0.531400608601
0.2506000000D+01 0.1000000000D+01
Atom H4 Shell 65 F 1 bf 241 - 247 -1.529368880212 -0.882981534680 -0.531400608601
0.8750000000D+00 0.1000000000D+01
Atom H4 Shell 66 G 1 bf 248 - 256 -1.529368880212 -0.882981534680 -0.531400608601
0.2358000000D+01 0.1000000000D+01
There are 196 symmetry adapted cartesian basis functions of A' symmetry.
There are 140 symmetry adapted cartesian basis functions of A" symmetry.
There are 146 symmetry adapted basis functions of A' symmetry.
There are 110 symmetry adapted basis functions of A" symmetry.
256 basis functions, 368 primitive gaussians, 336 cartesian basis functions
5 alpha electrons 5 beta electrons
nuclear repulsion energy 11.9056721986 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 Thu Apr 4 10:14:23 2019, MaxMem= 13421772800 cpu: 1.2
(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= 256 RedAO= T EigKep= 3.68D-05 NBF= 146 110
NBsUse= 256 1.00D-06 EigRej= -1.00D+00 NBFU= 146 110
Leave Link 302 at Thu Apr 4 10:14:24 2019, MaxMem= 13421772800 cpu: 9.9
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l303.exe)
DipDrv: MaxL=1.
Leave Link 303 at Thu Apr 4 10:14:24 2019, MaxMem= 13421772800 cpu: 1.0
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l401.exe)
ExpMin= 7.28D-02 ExpMax= 1.29D+05 ExpMxC= 4.08D+02 IAcc=2 IRadAn= 4 AccDes= 0.00D+00
Harris functional with IExCor= 205 and IRadAn= 4 diagonalized for initial guess.
HarFok: IExCor= 205 AccDes= 0.00D+00 IRadAn= 4 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= -56.3594108321406
JPrj=0 DoOrth=F DoCkMO=F.
Initial guess orbital symmetries:
Occupied (A1) (A1) (E) (E) (A1)
Virtual (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (E) (E)
(A1) (A1) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (A2) (E)
(E) (E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (E)
(E) (E) (E) (A1) (A1) (E) (E) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (A1) (A2) (A1) (E) (E) (E)
(E) (A1) (E) (E) (E) (E) (E) (E) (A1) (A2) (E)
(E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1)
(E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (A2) (E)
(E) (E) (E) (A1) (A2) (E) (E) (A1) (E) (E) (A1)
(A2) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (E)
(E) (E) (E) (A1) (E) (E) (A2) (E) (E) (A1) (E)
(E) (E) (E) (A2) (A1) (E) (E) (E) (E) (A1) (E)
(E) (A2) (A1) (A1) (E) (E) (E) (E) (A1) (E) (E)
(E) (E) (A2) (E) (E) (A1) (E) (E) (A1) (A2) (E)
(E) (A1) (E) (E) (A2) (A1) (A2) (E) (E) (E) (E)
(E) (E) (A1) (A2) (E) (E) (A1) (E) (E) (A2) (E)
(E) (A1) (E) (E) (E) (E) (A1) (A1) (E) (E) (E)
(E) (A2) (E) (E) (A2) (E) (E) (A1) (A1) (E) (E)
(A1) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E) (E)
(E) (E) (E) (A1) (A1) (E) (E) (E) (E) (A2) (E)
(E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1)
The electronic state of the initial guess is 1-A1.
Leave Link 401 at Thu Apr 4 10:14:24 2019, MaxMem= 13421772800 cpu: 14.7
(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=812548042.
IVT= 368238 IEndB= 368238 NGot= 13421772800 MDV= 12879928711
LenX= 12879928711 LenY= 12879815374
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= 32896 NMatT0= 0 NMatD0= 1 NMtDS0= 0 NMtDT0= 0
Petite list used in FoFCou.
Cycle 1 Pass 1 IDiag 1:
E= -56.1105706993835
DIIS: error= 4.18D-02 at cycle 1 NSaved= 1.
NSaved= 1 IEnMin= 1 EnMin= -56.1105706993835 IErMin= 1 ErrMin= 4.18D-02
ErrMax= 4.18D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.18D-01 BMatP= 2.18D-01
IDIUse=3 WtCom= 5.82D-01 WtEn= 4.18D-01
Coeff-Com: 0.100D+01
Coeff-En: 0.100D+01
Coeff: 0.100D+01
Gap= 0.419 Goal= None Shift= 0.000
GapD= 0.419 DampG=2.000 DampE=0.500 DampFc=1.0000 IDamp=-1.
RMSDP=1.50D-03 MaxDP=7.50D-02 OVMax= 1.50D-01
Cycle 2 Pass 1 IDiag 1:
E= -56.1879410611394 Delta-E= -0.077370361756 Rises=F Damp=F
DIIS: error= 2.26D-02 at cycle 2 NSaved= 2.
NSaved= 2 IEnMin= 2 EnMin= -56.1879410611394 IErMin= 2 ErrMin= 2.26D-02
ErrMax= 2.26D-02 0.00D+00 EMaxC= 1.00D-01 BMatC= 4.76D-02 BMatP= 2.18D-01
IDIUse=3 WtCom= 7.74D-01 WtEn= 2.26D-01
Coeff-Com: 0.283D+00 0.717D+00
Coeff-En: 0.866D-01 0.913D+00
Coeff: 0.239D+00 0.761D+00
Gap= 0.550 Goal= None Shift= 0.000
RMSDP=9.61D-04 MaxDP=5.21D-02 DE=-7.74D-02 OVMax= 7.31D-02
Cycle 3 Pass 1 IDiag 1:
E= -56.2223868226571 Delta-E= -0.034445761518 Rises=F Damp=F
DIIS: error= 5.36D-03 at cycle 3 NSaved= 3.
NSaved= 3 IEnMin= 3 EnMin= -56.2223868226571 IErMin= 3 ErrMin= 5.36D-03
ErrMax= 5.36D-03 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.22D-03 BMatP= 4.76D-02
IDIUse=3 WtCom= 9.46D-01 WtEn= 5.36D-02
Coeff-Com: -0.325D-01 0.138D+00 0.895D+00
Coeff-En: 0.000D+00 0.000D+00 0.100D+01
Coeff: -0.308D-01 0.130D+00 0.900D+00
Gap= 0.524 Goal= None Shift= 0.000
RMSDP=6.22D-05 MaxDP=3.14D-03 DE=-3.44D-02 OVMax= 1.21D-02
Cycle 4 Pass 1 IDiag 1:
E= -56.2241031934214 Delta-E= -0.001716370764 Rises=F Damp=F
DIIS: error= 3.89D-04 at cycle 4 NSaved= 4.
NSaved= 4 IEnMin= 4 EnMin= -56.2241031934214 IErMin= 4 ErrMin= 3.89D-04
ErrMax= 3.89D-04 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-05 BMatP= 2.22D-03
IDIUse=3 WtCom= 9.96D-01 WtEn= 3.89D-03
Coeff-Com: 0.772D-02-0.492D-01-0.255D+00 0.130D+01
Coeff-En: 0.000D+00 0.000D+00 0.000D+00 0.100D+01
Coeff: 0.769D-02-0.490D-01-0.254D+00 0.130D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=6.52D-05 MaxDP=4.09D-03 DE=-1.72D-03 OVMax= 3.00D-03
Cycle 5 Pass 1 IDiag 1:
E= -56.2241262472090 Delta-E= -0.000023053788 Rises=F Damp=F
DIIS: error= 6.45D-05 at cycle 5 NSaved= 5.
NSaved= 5 IEnMin= 5 EnMin= -56.2241262472090 IErMin= 5 ErrMin= 6.45D-05
ErrMax= 6.45D-05 0.00D+00 EMaxC= 1.00D-01 BMatC= 5.17D-07 BMatP= 1.00D-05
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.482D-03 0.514D-02 0.269D-01-0.362D+00 0.133D+01
Coeff: -0.482D-03 0.514D-02 0.269D-01-0.362D+00 0.133D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=2.01D-05 MaxDP=1.32D-03 DE=-2.31D-05 OVMax= 1.06D-03
Cycle 6 Pass 1 IDiag 1:
E= -56.2241277864601 Delta-E= -0.000001539251 Rises=F Damp=F
DIIS: error= 9.65D-06 at cycle 6 NSaved= 6.
NSaved= 6 IEnMin= 6 EnMin= -56.2241277864601 IErMin= 6 ErrMin= 9.65D-06
ErrMax= 9.65D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.76D-09 BMatP= 5.17D-07
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.510D-05-0.470D-03-0.352D-02 0.805D-01-0.401D+00 0.132D+01
Coeff: -0.510D-05-0.470D-03-0.352D-02 0.805D-01-0.401D+00 0.132D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=2.54D-06 MaxDP=1.83D-04 DE=-1.54D-06 OVMax= 1.72D-04
Cycle 7 Pass 1 IDiag 1:
E= -56.2241278179944 Delta-E= -0.000000031534 Rises=F Damp=F
DIIS: error= 2.46D-06 at cycle 7 NSaved= 7.
NSaved= 7 IEnMin= 7 EnMin= -56.2241278179944 IErMin= 7 ErrMin= 2.46D-06
ErrMax= 2.46D-06 0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-10 BMatP= 8.76D-09
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.161D-04-0.154D-04 0.218D-03-0.125D-01 0.758D-01-0.356D+00
Coeff-Com: 0.129D+01
Coeff: 0.161D-04-0.154D-04 0.218D-03-0.125D-01 0.758D-01-0.356D+00
Coeff: 0.129D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=3.24D-07 MaxDP=2.28D-05 DE=-3.15D-08 OVMax= 2.75D-05
Cycle 8 Pass 1 IDiag 1:
E= -56.2241278189325 Delta-E= -0.000000000938 Rises=F Damp=F
DIIS: error= 4.83D-07 at cycle 8 NSaved= 8.
NSaved= 8 IEnMin= 8 EnMin= -56.2241278189325 IErMin= 8 ErrMin= 4.83D-07
ErrMax= 4.83D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-11 BMatP= 2.27D-10
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.406D-05 0.282D-04 0.114D-03-0.992D-03 0.327D-03 0.264D-01
Coeff-Com: -0.343D+00 0.132D+01
Coeff: -0.406D-05 0.282D-04 0.114D-03-0.992D-03 0.327D-03 0.264D-01
Coeff: -0.343D+00 0.132D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=3.55D-08 MaxDP=1.72D-06 DE=-9.38D-10 OVMax= 7.12D-06
Cycle 9 Pass 1 IDiag 1:
E= -56.2241278189859 Delta-E= -0.000000000053 Rises=F Damp=F
DIIS: error= 1.08D-07 at cycle 9 NSaved= 9.
NSaved= 9 IEnMin= 9 EnMin= -56.2241278189859 IErMin= 9 ErrMin= 1.08D-07
ErrMax= 1.08D-07 0.00D+00 EMaxC= 1.00D-01 BMatC= 8.80D-13 BMatP= 1.57D-11
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: -0.961D-07-0.463D-05-0.317D-04 0.829D-03-0.372D-02 0.167D-01
Coeff-Com: -0.119D-01-0.220D+00 0.122D+01
Coeff: -0.961D-07-0.463D-05-0.317D-04 0.829D-03-0.372D-02 0.167D-01
Coeff: -0.119D-01-0.220D+00 0.122D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=2.31D-08 MaxDP=1.69D-06 DE=-5.33D-11 OVMax= 1.23D-06
Cycle 10 Pass 1 IDiag 1:
E= -56.2241278189896 Delta-E= -0.000000000004 Rises=F Damp=F
DIIS: error= 3.15D-08 at cycle 10 NSaved= 10.
NSaved=10 IEnMin=10 EnMin= -56.2241278189896 IErMin=10 ErrMin= 3.15D-08
ErrMax= 3.15D-08 0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-14 BMatP= 8.80D-13
IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
Coeff-Com: 0.323D-06-0.851D-06 0.157D-05-0.181D-03 0.960D-03-0.611D-02
Coeff-Com: 0.220D-01-0.222D-01-0.355D+00 0.136D+01
Coeff: 0.323D-06-0.851D-06 0.157D-05-0.181D-03 0.960D-03-0.611D-02
Coeff: 0.220D-01-0.222D-01-0.355D+00 0.136D+01
Gap= 0.525 Goal= None Shift= 0.000
RMSDP=2.28D-09 MaxDP=1.45D-07 DE=-3.71D-12 OVMax= 4.49D-07
SCF Done: E(ROHF) = -56.2241278190 A.U. after 10 cycles
NFock= 10 Conv=0.23D-08 -V/T= 2.0015
<Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.0000 <S**2>= 0.0000 S= 0.0000
<L.S>= 0.000000000000E+00
KE= 5.613969708360D+01 PE=-1.556690267251D+02 EE= 3.139952962391D+01
Annihilation of the first spin contaminant:
S**2 before annihilation 0.0000, after 0.0000
Leave Link 502 at Thu Apr 4 10:14:42 2019, MaxMem= 13421772800 cpu: 420.2
(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= 7.28D-02 ExpMax= 1.29D+05 ExpMxC= 4.08D+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 1.85D-04
Largest core mixing into a valence orbital is 2.80D-05
Largest valence mixing into a core orbital is 1.85D-04
Largest core mixing into a valence orbital is 2.80D-05
Range of M.O.s used for correlation: 2 256
NBasis= 256 NAE= 5 NBE= 5 NFC= 1 NFV= 0
NROrb= 255 NOA= 4 NOB= 4 NVA= 251 NVB= 251
**** Warning!!: The largest alpha MO coefficient is 0.39504291D+02
**** Warning!!: The largest beta MO coefficient is 0.39504291D+02
Singles contribution to E2= -0.7507004145D-15
Leave Link 801 at Thu Apr 4 10:14:49 2019, MaxMem= 13421772800 cpu: 159.4
(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= 13419679997
LASXX= 16367412 LTotXX= 16367412 LenRXX= 32941792
LTotAB= 16574380 MaxLAS= 40169640 LenRXY= 0
NonZer= 49309204 LenScr= 74448896 LnRSAI= 40169640
LnScr1= 60751872 LExtra= 0 Total= 208312200
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= 13419679997
LASXX= 16367412 LTotXX= 16367412 LenRXX= 32425244
LTotAB= 16057832 MaxLAS= 40169640 LenRXY= 0
NonZer= 48792656 LenScr= 73728000 LnRSAI= 40169640
LnScr1= 60751872 LExtra= 0 Total= 207074756
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 = 0.7990038897D-02 E2= -0.2746478311D-01
alpha-beta T2 = 0.5238331607D-01 E2= -0.2034272074D+00
beta-beta T2 = 0.7990038897D-02 E2= -0.2746478311D-01
ANorm= 0.1033616657D+01
E2 = -0.2583567736D+00 EUMP2 = -0.56482484592629D+02
(S**2,0)= 0.00000D+00 (S**2,1)= 0.00000D+00
E(PUHF)= -0.56224127819D+02 E(PMP2)= -0.56482484593D+02
Leave Link 804 at Thu Apr 4 10:15:11 2019, MaxMem= 13421772800 cpu: 528.8
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l913.exe)
CIDS: MDV= 13421772800.
Frozen-core window: NFC= 1 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=812181890.
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= 32896 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)= 0.12042666D-01
Maximum subspace dimension= 5
Norm of the A-vectors is 3.7213630D-02 conv= 1.00D-05.
RLE energy= -0.2532411592
E3= -0.68237133D-02 EROMP3= -0.56489308306D+02
E4(SDQ)= -0.10633529D-02 ROMP4(SDQ)= -0.56490371659D+02
VARIATIONAL ENERGIES WITH THE FIRST-ORDER WAVEFUNCTION:
DE(Corr)= -0.25313782 E(Corr)= -56.477265640
NORM(A)= 0.10319745D+01
Iteration Nr. 2
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.7542893D-01 conv= 1.00D-05.
RLE energy= -0.2544760441
DE(Corr)= -0.25975227 E(CORR)= -56.483880088 Delta=-6.61D-03
NORM(A)= 0.10324155D+01
Iteration Nr. 3
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.4914659D-01 conv= 1.00D-05.
RLE energy= -0.2618466528
DE(Corr)= -0.26073754 E(CORR)= -56.484865358 Delta=-9.85D-04
NORM(A)= 0.10354354D+01
Iteration Nr. 4
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 6.2088160D-02 conv= 1.00D-05.
RLE energy= -0.2661612683
DE(Corr)= -0.26385579 E(CORR)= -56.487983610 Delta=-3.12D-03
NORM(A)= 0.10379495D+01
Iteration Nr. 5
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 4.1301151D-03 conv= 1.00D-05.
RLE energy= -0.2661480042
DE(Corr)= -0.26612292 E(CORR)= -56.490250736 Delta=-2.27D-03
NORM(A)= 0.10379903D+01
Iteration Nr. 6
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.2476252D-03 conv= 1.00D-05.
RLE energy= -0.2660777460
DE(Corr)= -0.26610729 E(CORR)= -56.490235113 Delta= 1.56D-05
NORM(A)= 0.10379596D+01
Iteration Nr. 7
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 3.1745290D-04 conv= 1.00D-05.
RLE energy= -0.2660752810
DE(Corr)= -0.26607600 E(CORR)= -56.490203822 Delta= 3.13D-05
NORM(A)= 0.10379609D+01
Iteration Nr. 8
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 9.0215813D-05 conv= 1.00D-05.
RLE energy= -0.2660760889
DE(Corr)= -0.26607658 E(CORR)= -56.490204404 Delta=-5.82D-07
NORM(A)= 0.10379610D+01
Iteration Nr. 9
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 4.6070276D-05 conv= 1.00D-05.
RLE energy= -0.2660761773
DE(Corr)= -0.26607576 E(CORR)= -56.490203579 Delta= 8.25D-07
NORM(A)= 0.10379616D+01
Iteration Nr. 10
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 1.4775132D-05 conv= 1.00D-05.
RLE energy= -0.2660759929
DE(Corr)= -0.26607600 E(CORR)= -56.490203820 Delta=-2.41D-07
NORM(A)= 0.10379615D+01
Iteration Nr. 11
**********************
DD1Dir will call FoFMem 1 times, MxPair= 44
NAB= 16 NAA= 6 NBB= 6.
Norm of the A-vectors is 4.2844302D-06 conv= 1.00D-05.
RLE energy= -0.2660759770
DE(Corr)= -0.26607596 E(CORR)= -56.490203783 Delta= 3.78D-08
NORM(A)= 0.10379615D+01
CI/CC converged in 11 iterations to DelEn= 3.78D-08 Conv= 1.00D-07 ErrA1= 4.28D-06 Conv= 1.00D-05
Largest amplitude= 2.95D-02
Time for triples= 51829.48 seconds.
T4(CCSD)= -0.93964710D-02
T5(CCSD)= 0.24439797D-03
CCSD(T)= -0.56499355856D+02
Discarding MO integrals.
Leave Link 913 at Thu Apr 4 10:56:36 2019, MaxMem= 13421772800 cpu: 57584.6
(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)
Virtual (A1) (E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (E)
(E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1) (A2) (E)
(E) (E) (E) (A2) (E) (E) (A1) (E) (E) (E) (E)
(A1) (E) (E) (A1) (A1) (E) (E) (A2) (E) (E) (A1)
(E) (E) (A1) (E) (E) (A1) (A2) (A1) (E) (E) (E)
(E) (A1) (E) (E) (E) (E) (E) (E) (A1) (A2) (E)
(E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A1) (A1)
(A1) (E) (E) (A2) (E) (E) (E) (E) (A2) (E) (E)
(A1) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E) (A1)
(A2) (E) (E) (A1) (A1) (E) (E) (A1) (E) (E) (E)
(E) (E) (E) (A1) (A2) (E) (E) (E) (E) (A1) (E)
(E) (E) (E) (A2) (A1) (E) (E) (E) (E) (E) (E)
(A1) (A2) (A1) (E) (E) (A1) (E) (E) (A1) (E) (E)
(A2) (E) (E) (E) (E) (A1) (E) (E) (A1) (A2) (E)
(E) (E) (E) (A2) (A1) (A2) (A1) (E) (E) (E) (E)
(A1) (A2) (E) (E) (E) (E) (A1) (E) (E) (A2) (E)
(E) (A1) (E) (E) (E) (E) (A1) (A1) (E) (E) (A2)
(E) (E) (E) (E) (A2) (A1) (E) (E) (A1) (E) (E)
(A1) (E) (E) (A1) (E) (E) (A1) (A2) (E) (E) (E)
(E) (E) (E) (A1) (E) (E) (A1) (E) (E) (A2) (E)
(E) (A1) (E) (E) (A2) (E) (E) (E) (E) (A2) (A1)
(E) (E) (A1) (E) (E) (A1) (E) (E) (A1)
The electronic state is 1-A1.
Alpha occ. eigenvalues -- -15.54182 -1.14134 -0.62443 -0.62443 -0.43312
Alpha virt. eigenvalues -- 0.09191 0.14317 0.14317 0.26168 0.28298
Alpha virt. eigenvalues -- 0.28298 0.42695 0.45960 0.45960 0.46797
Alpha virt. eigenvalues -- 0.48911 0.48911 0.68875 0.71225 0.71225
Alpha virt. eigenvalues -- 0.71652 0.80415 0.80415 0.88352 0.88352
Alpha virt. eigenvalues -- 0.88637 0.98372 1.02659 1.02659 1.15767
Alpha virt. eigenvalues -- 1.24257 1.24257 1.32326 1.51949 1.51949
Alpha virt. eigenvalues -- 1.64032 1.70717 1.77735 1.77735 1.78785
Alpha virt. eigenvalues -- 1.78785 1.83536 1.88302 1.88302 1.91049
Alpha virt. eigenvalues -- 1.95886 1.95886 2.02285 2.02285 2.05310
Alpha virt. eigenvalues -- 2.15382 2.15382 2.19497 2.28077 2.40417
Alpha virt. eigenvalues -- 2.40417 2.57606 2.60340 2.60340 2.69301
Alpha virt. eigenvalues -- 2.71546 2.71546 2.77194 2.86596 2.86596
Alpha virt. eigenvalues -- 2.90054 2.94825 3.33362 3.43457 3.43457
Alpha virt. eigenvalues -- 3.56972 3.56972 3.64796 3.73081 3.73081
Alpha virt. eigenvalues -- 3.93093 3.93093 4.08230 4.08230 4.24663
Alpha virt. eigenvalues -- 4.29768 4.37414 4.37414 4.43331 4.52388
Alpha virt. eigenvalues -- 4.52388 4.55113 4.64205 4.64205 4.74389
Alpha virt. eigenvalues -- 4.74389 4.80641 4.94321 4.95522 4.98375
Alpha virt. eigenvalues -- 4.98375 4.99356 5.05134 5.05134 5.17672
Alpha virt. eigenvalues -- 5.17672 5.24800 5.27143 5.27143 5.30127
Alpha virt. eigenvalues -- 5.47865 5.47865 5.51966 5.58451 5.80710
Alpha virt. eigenvalues -- 5.80710 5.92118 5.98603 5.98603 6.14591
Alpha virt. eigenvalues -- 6.18665 6.20051 6.20051 6.28187 6.56452
Alpha virt. eigenvalues -- 6.59572 6.59572 6.61698 6.93797 6.93797
Alpha virt. eigenvalues -- 6.95993 6.95993 7.14656 7.14656 7.38448
Alpha virt. eigenvalues -- 7.44360 7.46950 7.46950 8.02817 8.02817
Alpha virt. eigenvalues -- 8.15764 8.50319 8.50319 8.56901 8.56901
Alpha virt. eigenvalues -- 8.69211 8.94717 9.05314 9.05314 10.98775
Alpha virt. eigenvalues -- 10.98775 11.11638 11.11638 11.11682 11.45050
Alpha virt. eigenvalues -- 11.54136 11.91831 11.91831 11.93247 12.10863
Alpha virt. eigenvalues -- 12.10863 12.50084 12.55434 12.55434 12.62665
Alpha virt. eigenvalues -- 12.64239 12.64239 12.67431 12.67431 12.71009
Alpha virt. eigenvalues -- 12.76369 12.76369 12.77835 12.79805 12.95010
Alpha virt. eigenvalues -- 12.95010 13.18240 13.18240 13.26171 13.31804
Alpha virt. eigenvalues -- 13.35418 13.36779 13.42382 13.42382 13.57610
Alpha virt. eigenvalues -- 13.57610 13.63855 13.64793 13.68829 13.68829
Alpha virt. eigenvalues -- 13.78055 13.78055 13.82978 13.84989 13.84989
Alpha virt. eigenvalues -- 13.87981 13.98999 13.98999 14.07417 14.11583
Alpha virt. eigenvalues -- 14.11583 14.24801 14.24801 14.42993 14.52891
Alpha virt. eigenvalues -- 14.67409 14.67409 14.74432 14.75686 14.75686
Alpha virt. eigenvalues -- 14.95047 14.95047 14.97234 14.97247 15.02829
Alpha virt. eigenvalues -- 15.02829 15.38029 15.59184 15.59184 15.88742
Alpha virt. eigenvalues -- 16.03855 16.03855 16.23470 16.38063 16.38063
Alpha virt. eigenvalues -- 16.49597 16.73807 16.74272 16.74272 16.94602
Alpha virt. eigenvalues -- 16.94602 16.98611 16.98611 17.10201 17.19573
Alpha virt. eigenvalues -- 17.19573 17.21685 17.37612 17.37612 17.48753
Alpha virt. eigenvalues -- 17.74559 17.74559 17.99884 18.01837 18.01837
Alpha virt. eigenvalues -- 18.40468 18.63961 18.63961 20.68229 20.68229
Alpha virt. eigenvalues -- 20.68915 20.80697 21.20264 21.20264 21.24951
Alpha virt. eigenvalues -- 21.98598 21.98598 22.51399 23.59589 23.59589
Alpha virt. eigenvalues -- 54.07320
Molecular Orbital Coefficients:
1 2 3 4 5
(A1)--O (A1)--O (E)--O (E)--O (A1)--O
Eigenvalues -- -15.54182 -1.14134 -0.62443 -0.62443 -0.43312
1 1 N 1S 0.56730 -0.10743 0.00000 0.00000 -0.03489
2 2S -0.42463 0.18292 0.00000 0.00000 0.06282
3 3S 0.07117 -0.00857 0.00000 0.00000 0.00146
4 4S 0.00057 0.28837 0.00000 0.00000 0.10182
5 5S 0.00385 0.39023 0.00000 0.00000 0.11104
6 6S 0.00125 0.12017 0.00000 0.00000 -0.03583
7 7PX 0.00000 0.00000 0.00000 0.09540 0.00000
8 7PY 0.00000 0.00000 0.09540 0.00000 0.00000
9 7PZ -0.00165 -0.01587 0.00000 0.00000 0.11236
10 8PX 0.00000 0.00000 0.00000 0.16378 0.00000
11 8PY 0.00000 0.00000 0.16378 0.00000 0.00000
12 8PZ 0.00051 -0.02751 0.00000 0.00000 0.19620
13 9PX 0.00000 0.00000 0.00000 0.25333 0.00000
14 9PY 0.00000 0.00000 0.25333 0.00000 0.00000
15 9PZ -0.00088 -0.04542 0.00000 0.00000 0.30145
16 10PX 0.00000 0.00000 0.00000 0.19917 0.00000
17 10PY 0.00000 0.00000 0.19917 0.00000 0.00000
18 10PZ -0.00095 -0.02459 0.00000 0.00000 0.31376
19 11PX 0.00000 0.00000 0.00000 0.05235 0.00000
20 11PY 0.00000 0.00000 0.05235 0.00000 0.00000
21 11PZ -0.00008 -0.00166 0.00000 0.00000 0.22535
22 12D 0 -0.00013 -0.00009 0.00000 0.00000 -0.00041
23 12D+1 0.00000 0.00000 0.00000 -0.00138 0.00000
24 12D-1 0.00000 0.00000 -0.00138 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.00116 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 -0.00116 0.00000
27 13D 0 0.00017 -0.00153 0.00000 0.00000 -0.00232
28 13D+1 0.00000 0.00000 0.00000 -0.00677 0.00000
29 13D-1 0.00000 0.00000 -0.00677 0.00000 0.00000
30 13D+2 0.00000 0.00000 -0.00517 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 -0.00517 0.00000
32 14D 0 0.00007 -0.00400 0.00000 0.00000 -0.00761
33 14D+1 0.00000 0.00000 0.00000 -0.02223 0.00000
34 14D-1 0.00000 0.00000 -0.02223 0.00000 0.00000
35 14D+2 0.00000 0.00000 -0.01784 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 -0.01784 0.00000
37 15D 0 -0.00010 -0.00037 0.00000 0.00000 -0.01086
38 15D+1 0.00000 0.00000 0.00000 -0.01410 0.00000
39 15D-1 0.00000 0.00000 -0.01410 0.00000 0.00000
40 15D+2 0.00000 0.00000 -0.01340 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 -0.01340 0.00000
42 16F 0 0.00001 0.00024 0.00000 0.00000 -0.00044
43 16F+1 0.00000 0.00000 0.00000 -0.00020 0.00000
44 16F-1 0.00000 0.00000 -0.00020 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.00027 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00027 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 -0.00003 -0.00035 0.00000 0.00000 0.00017
49 17F 0 0.00012 0.00258 0.00000 0.00000 -0.00247
50 17F+1 0.00000 0.00000 0.00000 -0.00146 0.00000
51 17F-1 0.00000 0.00000 -0.00146 0.00000 0.00000
52 17F+2 0.00000 0.00000 0.00226 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.00226 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.00011 -0.00287 0.00000 0.00000 0.00082
56 18F 0 0.00027 0.00286 0.00000 0.00000 -0.00165
57 18F+1 0.00000 0.00000 0.00000 -0.00180 0.00000
58 18F-1 0.00000 0.00000 -0.00180 0.00000 0.00000
59 18F+2 0.00000 0.00000 0.00382 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.00382 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.00024 -0.00345 0.00000 0.00000 0.00071
63 19G 0 0.00000 -0.00005 0.00000 0.00000 0.00022
64 19G+1 0.00000 0.00000 0.00000 0.00023 0.00000
65 19G-1 0.00000 0.00000 0.00023 0.00000 0.00000
66 19G+2 0.00000 0.00000 0.00005 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00005 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00002 0.00027 0.00000 0.00000 -0.00021
70 19G+4 0.00000 0.00000 0.00025 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.00025 0.00000
72 20G 0 -0.00010 -0.00068 0.00000 0.00000 0.00081
73 20G+1 0.00000 0.00000 0.00000 0.00153 0.00000
74 20G-1 0.00000 0.00000 0.00153 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.00008 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.00008 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00015 0.00166 0.00000 0.00000 -0.00060
79 20G+4 0.00000 0.00000 0.00182 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.00182 0.00000
81 21H 0 0.00000 -0.00008 0.00000 0.00000 -0.00011
82 21H+1 0.00000 0.00000 0.00000 -0.00011 0.00000
83 21H-1 0.00000 0.00000 -0.00011 0.00000 0.00000
84 21H+2 0.00000 0.00000 -0.00019 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 -0.00019 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 -0.00003 -0.00018 0.00000 0.00000 0.00026
88 21H+4 0.00000 0.00000 -0.00047 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.00047 0.00000
90 21H+5 0.00000 0.00000 0.00000 -0.00009 0.00000
91 21H-5 0.00000 0.00000 0.00009 0.00000 0.00000
92 2 H 1S 0.00006 0.02136 0.03955 0.00000 -0.01021
93 2S -0.00004 0.04799 0.09372 0.00000 -0.02682
94 3S -0.00065 0.08495 0.17352 0.00000 -0.04502
95 4S -0.00047 0.03362 0.15829 0.00000 0.04956
96 5S -0.00001 0.00121 0.03111 0.00000 -0.00534
97 6PX 0.00000 0.00000 0.00000 0.00072 0.00000
98 6PY -0.00001 -0.00126 -0.00141 0.00000 0.00051
99 6PZ 0.00000 0.00044 0.00088 0.00000 0.00080
100 7PX 0.00000 0.00000 0.00000 0.00270 0.00000
101 7PY 0.00003 -0.00438 -0.00407 0.00000 0.00309
102 7PZ -0.00002 0.00143 0.00265 0.00000 0.00264
103 8PX 0.00000 0.00000 0.00000 0.00958 0.00000
104 8PY 0.00019 -0.01409 -0.01182 0.00000 0.00197
105 8PZ 0.00010 0.00520 0.00835 0.00000 0.01330
106 9PX 0.00000 0.00000 0.00000 0.01236 0.00000
107 9PY 0.00019 -0.00594 -0.01118 0.00000 -0.02583
108 9PZ -0.00003 0.00074 0.00411 0.00000 0.02506
109 10D 0 0.00000 -0.00014 -0.00011 0.00000 0.00040
110 10D+1 0.00000 0.00000 0.00000 0.00016 0.00000
111 10D-1 0.00002 -0.00017 -0.00052 0.00000 -0.00020
112 10D+2 0.00001 -0.00032 -0.00043 0.00000 0.00028
113 10D-2 0.00000 0.00000 0.00000 -0.00042 0.00000
114 11D 0 0.00004 -0.00059 -0.00020 0.00000 0.00092
115 11D+1 0.00000 0.00000 0.00000 0.00012 0.00000
116 11D-1 -0.00009 -0.00132 -0.00148 0.00000 -0.00106
117 11D+2 -0.00001 -0.00133 -0.00122 0.00000 0.00097
118 11D-2 0.00000 0.00000 0.00000 -0.00105 0.00000
119 12D 0 0.00005 -0.00085 -0.00118 0.00000 0.00094
120 12D+1 0.00000 0.00000 0.00000 0.00070 0.00000
121 12D-1 -0.00010 -0.00151 -0.00210 0.00000 -0.00584
122 12D+2 -0.00002 -0.00206 -0.00165 0.00000 -0.00548
123 12D-2 0.00000 0.00000 0.00000 -0.00328 0.00000
124 13F 0 0.00000 -0.00007 -0.00017 0.00000 0.00002
125 13F+1 0.00000 0.00000 0.00000 -0.00002 0.00000
126 13F-1 -0.00001 0.00003 -0.00002 0.00000 -0.00023
127 13F+2 -0.00001 -0.00010 -0.00025 0.00000 -0.00005
128 13F-2 0.00000 0.00000 0.00000 -0.00008 0.00000
129 13F+3 0.00000 0.00000 0.00000 -0.00016 0.00000
130 13F-3 0.00000 0.00010 0.00019 0.00000 -0.00022
131 14F 0 -0.00004 -0.00034 -0.00055 0.00000 -0.00046
132 14F+1 0.00000 0.00000 0.00000 -0.00018 0.00000
133 14F-1 -0.00004 0.00000 0.00021 0.00000 -0.00024
134 14F+2 -0.00006 -0.00047 -0.00068 0.00000 -0.00064
135 14F-2 0.00000 0.00000 0.00000 -0.00005 0.00000
136 14F+3 0.00000 0.00000 0.00000 -0.00026 0.00000
137 14F-3 0.00003 0.00031 0.00056 0.00000 0.00100
138 15G 0 0.00000 -0.00001 -0.00003 0.00000 -0.00005
139 15G+1 0.00000 0.00000 0.00000 -0.00002 0.00000
140 15G-1 0.00001 0.00006 0.00011 0.00000 0.00003
141 15G+2 0.00000 -0.00001 0.00000 0.00000 -0.00005
142 15G-2 0.00000 0.00000 0.00000 0.00001 0.00000
143 15G+3 0.00000 0.00000 0.00000 -0.00002 0.00000
144 15G-3 0.00001 0.00006 0.00010 0.00000 0.00007
145 15G+4 0.00001 0.00005 0.00008 0.00000 0.00005
146 15G-4 0.00000 0.00000 0.00000 0.00004 0.00000
147 3 H 1S 0.00006 0.02136 -0.01977 0.03425 -0.01021
148 2S -0.00004 0.04799 -0.04686 0.08117 -0.02682
149 3S -0.00065 0.08495 -0.08676 0.15027 -0.04502
150 4S -0.00047 0.03362 -0.07915 0.13708 0.04956
151 5S -0.00001 0.00121 -0.01555 0.02694 -0.00534
152 6PX -0.00001 -0.00109 0.00093 -0.00088 0.00044
153 6PY 0.00001 0.00063 0.00019 0.00093 -0.00025
154 6PZ 0.00000 0.00044 -0.00044 0.00076 0.00080
155 7PX 0.00003 -0.00379 0.00293 -0.00238 0.00267
156 7PY -0.00002 0.00219 0.00100 0.00293 -0.00154
157 7PZ -0.00002 0.00143 -0.00133 0.00230 0.00264
158 8PX 0.00017 -0.01220 0.00927 -0.00647 0.00170
159 8PY -0.00010 0.00705 0.00423 0.00927 -0.00098
160 8PZ 0.00010 0.00520 -0.00417 0.00723 0.01330
161 9PX 0.00017 -0.00514 0.01019 -0.00529 -0.02237
162 9PY -0.00010 0.00297 0.00648 0.01019 0.01292
163 9PZ -0.00003 0.00074 -0.00206 0.00356 0.02506
164 10D 0 0.00000 -0.00014 0.00006 -0.00010 0.00040
165 10D+1 0.00001 -0.00015 0.00030 -0.00035 -0.00017
166 10D-1 -0.00001 0.00009 -0.00001 0.00030 0.00010
167 10D+2 0.00000 0.00016 -0.00042 0.00001 -0.00014
168 10D-2 0.00001 -0.00028 0.00001 -0.00043 0.00025
169 11D 0 0.00004 -0.00059 0.00010 -0.00018 0.00092
170 11D+1 -0.00008 -0.00114 0.00069 -0.00108 -0.00092
171 11D-1 0.00004 0.00066 -0.00028 0.00069 0.00053
172 11D+2 0.00001 0.00066 -0.00109 0.00007 -0.00048
173 11D-2 -0.00001 -0.00115 0.00007 -0.00118 0.00084
174 12D 0 0.00005 -0.00085 0.00059 -0.00102 0.00094
175 12D+1 -0.00008 -0.00131 0.00121 -0.00140 -0.00506
176 12D-1 0.00005 0.00075 0.00000 0.00121 0.00292
177 12D+2 0.00001 0.00103 -0.00287 -0.00071 0.00274
178 12D-2 -0.00002 -0.00179 -0.00071 -0.00206 -0.00475
179 13F 0 0.00000 -0.00007 0.00009 -0.00015 0.00002
180 13F+1 -0.00001 0.00003 0.00000 -0.00002 -0.00020
181 13F-1 0.00000 -0.00002 -0.00002 0.00000 0.00012
182 13F+2 0.00000 0.00005 -0.00012 0.00007 0.00003
183 13F-2 -0.00001 -0.00009 0.00007 -0.00021 -0.00005
184 13F+3 0.00000 0.00000 0.00014 0.00008 0.00000
185 13F-3 0.00000 0.00010 -0.00010 0.00017 -0.00022
186 14F 0 -0.00004 -0.00034 0.00027 -0.00047 -0.00046
187 14F+1 -0.00003 0.00000 -0.00017 0.00011 -0.00021
188 14F-1 0.00002 0.00000 -0.00008 -0.00017 0.00012
189 14F+2 0.00003 0.00024 -0.00021 0.00027 0.00032
190 14F-2 -0.00006 -0.00041 0.00027 -0.00052 -0.00056
191 14F+3 0.00000 0.00000 0.00023 0.00013 0.00000
192 14F-3 0.00003 0.00031 -0.00028 0.00048 0.00100
193 15G 0 0.00000 -0.00001 0.00002 -0.00003 -0.00005
194 15G+1 0.00001 0.00005 -0.00005 0.00008 0.00003
195 15G-1 -0.00001 -0.00003 0.00001 -0.00005 -0.00002
196 15G+2 0.00000 0.00001 0.00001 0.00000 0.00003
197 15G-2 0.00000 -0.00001 0.00000 0.00000 -0.00005
198 15G+3 0.00000 0.00000 0.00002 0.00001 0.00000
199 15G-3 0.00001 0.00006 -0.00005 0.00008 0.00007
200 15G+4 0.00000 -0.00002 -0.00001 -0.00005 -0.00002
201 15G-4 -0.00001 -0.00004 0.00005 -0.00005 -0.00004
202 4 H 1S 0.00006 0.02136 -0.01977 -0.03425 -0.01021
203 2S -0.00004 0.04799 -0.04686 -0.08117 -0.02682
204 3S -0.00065 0.08495 -0.08676 -0.15027 -0.04502
205 4S -0.00047 0.03362 -0.07915 -0.13708 0.04956
206 5S -0.00001 0.00121 -0.01555 -0.02694 -0.00534
207 6PX 0.00001 0.00109 -0.00093 -0.00088 -0.00044
208 6PY 0.00001 0.00063 0.00019 -0.00093 -0.00025
209 6PZ 0.00000 0.00044 -0.00044 -0.00076 0.00080
210 7PX -0.00003 0.00379 -0.00293 -0.00238 -0.00267
211 7PY -0.00002 0.00219 0.00100 -0.00293 -0.00154
212 7PZ -0.00002 0.00143 -0.00133 -0.00230 0.00264
213 8PX -0.00017 0.01220 -0.00927 -0.00647 -0.00170
214 8PY -0.00010 0.00705 0.00423 -0.00927 -0.00098
215 8PZ 0.00010 0.00520 -0.00417 -0.00723 0.01330
216 9PX -0.00017 0.00514 -0.01019 -0.00529 0.02237
217 9PY -0.00010 0.00297 0.00648 -0.01019 0.01292
218 9PZ -0.00003 0.00074 -0.00206 -0.00356 0.02506
219 10D 0 0.00000 -0.00014 0.00006 0.00010 0.00040
220 10D+1 -0.00001 0.00015 -0.00030 -0.00035 0.00017
221 10D-1 -0.00001 0.00009 -0.00001 -0.00030 0.00010
222 10D+2 0.00000 0.00016 -0.00042 -0.00001 -0.00014
223 10D-2 -0.00001 0.00028 -0.00001 -0.00043 -0.00025
224 11D 0 0.00004 -0.00059 0.00010 0.00018 0.00092
225 11D+1 0.00008 0.00114 -0.00069 -0.00108 0.00092
226 11D-1 0.00004 0.00066 -0.00028 -0.00069 0.00053
227 11D+2 0.00001 0.00066 -0.00109 -0.00007 -0.00048
228 11D-2 0.00001 0.00115 -0.00007 -0.00118 -0.00084
229 12D 0 0.00005 -0.00085 0.00059 0.00102 0.00094
230 12D+1 0.00008 0.00131 -0.00121 -0.00140 0.00506
231 12D-1 0.00005 0.00075 0.00000 -0.00121 0.00292
232 12D+2 0.00001 0.00103 -0.00287 0.00071 0.00274
233 12D-2 0.00002 0.00179 0.00071 -0.00206 0.00475
234 13F 0 0.00000 -0.00007 0.00009 0.00015 0.00002
235 13F+1 0.00001 -0.00003 0.00000 -0.00002 0.00020
236 13F-1 0.00000 -0.00002 -0.00002 0.00000 0.00012
237 13F+2 0.00000 0.00005 -0.00012 -0.00007 0.00003
238 13F-2 0.00001 0.00009 -0.00007 -0.00021 0.00005
239 13F+3 0.00000 0.00000 -0.00014 0.00008 0.00000
240 13F-3 0.00000 0.00010 -0.00010 -0.00017 -0.00022
241 14F 0 -0.00004 -0.00034 0.00027 0.00047 -0.00046
242 14F+1 0.00003 0.00000 0.00017 0.00011 0.00021
243 14F-1 0.00002 0.00000 -0.00008 0.00017 0.00012
244 14F+2 0.00003 0.00024 -0.00021 -0.00027 0.00032
245 14F-2 0.00006 0.00041 -0.00027 -0.00052 0.00056
246 14F+3 0.00000 0.00000 -0.00023 0.00013 0.00000
247 14F-3 0.00003 0.00031 -0.00028 -0.00048 0.00100
248 15G 0 0.00000 -0.00001 0.00002 0.00003 -0.00005
249 15G+1 -0.00001 -0.00005 0.00005 0.00008 -0.00003
250 15G-1 -0.00001 -0.00003 0.00001 0.00005 -0.00002
251 15G+2 0.00000 0.00001 0.00001 0.00000 0.00003
252 15G-2 0.00000 0.00001 0.00000 0.00000 0.00005
253 15G+3 0.00000 0.00000 -0.00002 0.00001 0.00000
254 15G-3 0.00001 0.00006 -0.00005 -0.00008 0.00007
255 15G+4 0.00000 -0.00002 -0.00001 0.00005 -0.00002
256 15G-4 0.00001 0.00004 -0.00005 -0.00005 0.00004
6 7 8 9 10
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 0.09191 0.14317 0.14317 0.26168 0.28298
1 1 N 1S -0.03131 0.00000 0.00000 -0.01384 0.00000
2 2S 0.04930 0.00000 0.00000 0.00814 0.00000
3 3S -0.01511 0.00000 0.00000 -0.09054 0.00000
4 4S -0.22333 0.00000 0.00000 -0.02814 0.00000
5 5S 2.12315 0.00000 0.00000 5.00682 0.00000
6 6S 4.85326 0.00000 0.00000 14.56955 0.00000
7 7PX 0.00000 -0.03201 0.00000 0.00000 0.00000
8 7PY 0.00000 0.00000 -0.03201 0.00000 -0.01362
9 7PZ -0.01890 0.00000 0.00000 0.04757 0.00000
10 8PX 0.00000 -0.08599 0.00000 0.00000 0.00000
11 8PY 0.00000 0.00000 -0.08599 0.00000 0.11112
12 8PZ 0.00642 0.00000 0.00000 0.11288 0.00000
13 9PX 0.00000 0.08914 0.00000 0.00000 0.00000
14 9PY 0.00000 0.00000 0.08914 0.00000 -1.02873
15 9PZ -0.25469 0.00000 0.00000 -0.40044 0.00000
16 10PX 0.00000 1.28548 0.00000 0.00000 0.00000
17 10PY 0.00000 0.00000 1.28548 0.00000 -5.14958
18 10PZ -1.04400 0.00000 0.00000 -2.13799 0.00000
19 11PX 0.00000 -0.74394 0.00000 0.00000 0.00000
20 11PY 0.00000 0.00000 -0.74394 0.00000 -4.06643
21 11PZ -0.54160 0.00000 0.00000 -3.78717 0.00000
22 12D 0 -0.00099 0.00000 0.00000 0.00272 0.00000
23 12D+1 0.00000 -0.00151 0.00000 0.00000 0.00000
24 12D-1 0.00000 0.00000 -0.00151 0.00000 -0.00054
25 12D+2 0.00000 0.00000 -0.00110 0.00000 -0.00077
26 12D-2 0.00000 -0.00110 0.00000 0.00000 0.00000
27 13D 0 0.00975 0.00000 0.00000 -0.01189 0.00000
28 13D+1 0.00000 0.01255 0.00000 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.01255 0.00000 -0.02395
30 13D+2 0.00000 0.00000 0.00829 0.00000 -0.02504
31 13D-2 0.00000 0.00829 0.00000 0.00000 0.00000
32 14D 0 -0.11019 0.00000 0.00000 -0.08858 0.00000
33 14D+1 0.00000 -0.11238 0.00000 0.00000 0.00000
34 14D-1 0.00000 0.00000 -0.11238 0.00000 0.51285
35 14D+2 0.00000 0.00000 -0.09592 0.00000 0.53710
36 14D-2 0.00000 -0.09592 0.00000 0.00000 0.00000
37 15D 0 -0.22029 0.00000 0.00000 -0.07474 0.00000
38 15D+1 0.00000 -0.24359 0.00000 0.00000 0.00000
39 15D-1 0.00000 0.00000 -0.24359 0.00000 1.68945
40 15D+2 0.00000 0.00000 -0.26962 0.00000 1.43026
41 15D-2 0.00000 -0.26962 0.00000 0.00000 0.00000
42 16F 0 -0.00158 0.00000 0.00000 -0.00064 0.00000
43 16F+1 0.00000 0.00115 0.00000 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.00115 0.00000 0.00074
45 16F+2 0.00000 0.00000 -0.00023 0.00000 0.00601
46 16F-2 0.00000 -0.00023 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00263 0.00000 0.00000 0.00167 0.00000
49 17F 0 0.02018 0.00000 0.00000 0.03023 0.00000
50 17F+1 0.00000 -0.00649 0.00000 0.00000 0.00000
51 17F-1 0.00000 0.00000 -0.00649 0.00000 0.00290
52 17F+2 0.00000 0.00000 0.00442 0.00000 -0.06910
53 17F-2 0.00000 0.00442 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.02953 0.00000 0.00000 -0.04399 0.00000
56 18F 0 0.12162 0.00000 0.00000 0.00791 0.00000
57 18F+1 0.00000 -0.02953 0.00000 0.00000 0.00000
58 18F-1 0.00000 0.00000 -0.02953 0.00000 -0.10171
59 18F+2 0.00000 0.00000 0.03858 0.00000 -0.36111
60 18F-2 0.00000 0.03858 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.15948 0.00000 0.00000 -0.07153 0.00000
63 19G 0 0.00010 0.00000 0.00000 -0.00190 0.00000
64 19G+1 0.00000 -0.00055 0.00000 0.00000 0.00000
65 19G-1 0.00000 0.00000 -0.00055 0.00000 -0.00230
66 19G+2 0.00000 0.00000 -0.00056 0.00000 -0.00122
67 19G-2 0.00000 -0.00056 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00038 0.00000 0.00000 0.00249 0.00000
70 19G+4 0.00000 0.00000 -0.00088 0.00000 -0.00344
71 19G-4 0.00000 0.00088 0.00000 0.00000 0.00000
72 20G 0 -0.00571 0.00000 0.00000 0.00689 0.00000
73 20G+1 0.00000 0.01264 0.00000 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.01264 0.00000 -0.02784
75 20G+2 0.00000 0.00000 0.00566 0.00000 0.02428
76 20G-2 0.00000 0.00566 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.02934 0.00000 0.00000 0.00756 0.00000
79 20G+4 0.00000 0.00000 0.02014 0.00000 -0.01268
80 20G-4 0.00000 -0.02014 0.00000 0.00000 0.00000
81 21H 0 -0.00156 0.00000 0.00000 0.00074 0.00000
82 21H+1 0.00000 -0.00013 0.00000 0.00000 0.00000
83 21H-1 0.00000 0.00000 -0.00013 0.00000 0.00524
84 21H+2 0.00000 0.00000 -0.00031 0.00000 0.00218
85 21H-2 0.00000 -0.00031 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 -0.00059 0.00000 0.00000 0.00128 0.00000
88 21H+4 0.00000 0.00000 -0.00236 0.00000 0.00260
89 21H-4 0.00000 0.00236 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00042 0.00000 0.00000 0.00000
91 21H-5 0.00000 0.00000 -0.00042 0.00000 -0.00383
92 2 H 1S -0.00180 0.00000 0.00045 -0.00586 0.01350
93 2S 0.04083 0.00000 -0.00704 0.08481 -0.14186
94 3S -0.81539 0.00000 -0.54506 -0.68757 3.27799
95 4S -1.16396 0.00000 -1.71643 -6.49353 7.78495
96 5S -0.88225 0.00000 3.08104 -0.12948 1.05890
97 6PX 0.00000 -0.00158 0.00000 0.00000 0.00000
98 6PY -0.00337 0.00000 0.00314 0.00238 0.00054
99 6PZ 0.00118 0.00000 -0.00181 -0.00392 -0.00455
100 7PX 0.00000 0.00811 0.00000 0.00000 0.00000
101 7PY 0.00657 0.00000 -0.00877 -0.03113 0.02602
102 7PZ -0.00242 0.00000 0.00600 0.02654 0.01347
103 8PX 0.00000 -0.06085 0.00000 0.00000 0.00000
104 8PY 0.22064 0.00000 0.25136 0.38024 -1.14791
105 8PZ -0.10277 0.00000 -0.13599 -0.21281 0.26260
106 9PX 0.00000 -0.00734 0.00000 0.00000 0.00000
107 9PY 0.49905 0.00000 0.39108 1.97809 -2.38132
108 9PZ -0.18395 0.00000 -0.19735 -0.34865 0.93010
109 10D 0 -0.00048 0.00000 -0.00011 -0.00143 0.00457
110 10D+1 0.00000 0.00061 0.00000 0.00000 0.00000
111 10D-1 -0.00142 0.00000 0.00019 -0.00386 0.00378
112 10D+2 -0.00138 0.00000 0.00032 -0.00030 0.00805
113 10D-2 0.00000 -0.00092 0.00000 0.00000 0.00000
114 11D 0 0.00834 0.00000 0.00455 0.01068 -0.05678
115 11D+1 0.00000 -0.00582 0.00000 0.00000 0.00000
116 11D-1 0.02148 0.00000 0.01625 0.02934 -0.07220
117 11D+2 0.02399 0.00000 0.01469 0.01265 -0.11485
118 11D-2 0.00000 0.01012 0.00000 0.00000 0.00000
119 12D 0 0.02182 0.00000 0.00097 0.10142 -0.15466
120 12D+1 0.00000 -0.00782 0.00000 0.00000 0.00000
121 12D-1 0.04056 0.00000 0.06308 0.16543 -0.15526
122 12D+2 0.04899 0.00000 0.04347 0.33300 -0.31977
123 12D-2 0.00000 0.03680 0.00000 0.00000 0.00000
124 13F 0 0.00147 0.00000 0.00101 -0.00032 -0.00377
125 13F+1 0.00000 0.00001 0.00000 0.00000 0.00000
126 13F-1 -0.00027 0.00000 -0.00021 0.00082 0.00387
127 13F+2 0.00168 0.00000 0.00179 0.00179 -0.00582
128 13F-2 0.00000 0.00040 0.00000 0.00000 0.00000
129 13F+3 0.00000 0.00095 0.00000 0.00000 0.00000
130 13F-3 -0.00190 0.00000 -0.00155 0.00235 0.00521
131 14F 0 0.00163 0.00000 0.00214 0.02464 -0.02400
132 14F+1 0.00000 0.00121 0.00000 0.00000 0.00000
133 14F-1 -0.00186 0.00000 0.00493 -0.01290 0.01756
134 14F+2 0.00568 0.00000 0.00412 0.02667 -0.02463
135 14F-2 0.00000 0.00570 0.00000 0.00000 0.00000
136 14F+3 0.00000 0.00827 0.00000 0.00000 0.00000
137 14F-3 -0.00292 0.00000 -0.00003 -0.05302 0.04780
138 15G 0 0.00008 0.00000 0.00013 0.00020 0.00013
139 15G+1 0.00000 0.00013 0.00000 0.00000 0.00000
140 15G-1 -0.00050 0.00000 0.00016 -0.00217 0.00221
141 15G+2 0.00007 0.00000 0.00042 -0.00016 0.00117
142 15G-2 0.00000 -0.00012 0.00000 0.00000 0.00000
143 15G+3 0.00000 0.00054 0.00000 0.00000 0.00000
144 15G-3 -0.00055 0.00000 -0.00023 -0.00247 0.00123
145 15G+4 -0.00031 0.00000 0.00012 -0.00323 0.00266
146 15G-4 0.00000 -0.00086 0.00000 0.00000 0.00000
147 3 H 1S -0.00180 0.00039 -0.00023 -0.00586 -0.00675
148 2S 0.04083 -0.00610 0.00352 0.08481 0.07093
149 3S -0.81539 -0.47203 0.27253 -0.68757 -1.63899
150 4S -1.16396 -1.48647 0.85822 -6.49353 -3.89247
151 5S -0.88225 2.66826 -1.54052 -0.12948 -0.52945
152 6PX -0.00292 0.00196 -0.00204 0.00206 -0.00041
153 6PY 0.00169 -0.00204 -0.00040 -0.00119 -0.00017
154 6PZ 0.00118 -0.00156 0.00090 -0.00392 0.00227
155 7PX 0.00569 -0.00455 0.00731 -0.02696 -0.01223
156 7PY -0.00328 0.00731 0.00389 0.01556 0.00483
157 7PZ -0.00242 0.00520 -0.00300 0.02654 -0.00673
158 8PX 0.19108 0.17331 -0.13519 0.32930 0.46768
159 8PY -0.11032 -0.13519 0.01720 -0.19012 -0.33787
160 8PZ -0.10277 -0.11777 0.06800 -0.21281 -0.13130
161 9PX 0.43219 0.29147 -0.17252 1.71307 1.14010
162 9PY -0.24952 -0.17252 0.09226 -0.98904 -0.40661
163 9PZ -0.18395 -0.17091 0.09867 -0.34865 -0.46505
164 10D 0 -0.00048 -0.00010 0.00006 -0.00143 -0.00229
165 10D+1 -0.00123 0.00029 0.00018 -0.00335 -0.00210
166 10D-1 0.00071 0.00018 0.00051 0.00193 0.00014
167 10D+2 0.00069 -0.00054 -0.00061 0.00015 0.00037
168 10D-2 -0.00119 0.00001 -0.00054 -0.00026 -0.00443
169 11D 0 0.00834 0.00394 -0.00228 0.01068 0.02839
170 11D+1 0.01860 0.01073 -0.00956 0.02541 0.03309
171 11D-1 -0.01074 -0.00956 -0.00031 -0.01467 -0.01489
172 11D+2 -0.01199 -0.00198 0.01126 -0.00632 -0.01503
173 11D-2 0.02077 0.01355 -0.00198 0.01095 0.05763
174 12D 0 0.02182 0.00084 -0.00048 0.10142 0.07733
175 12D+1 0.03513 0.04536 -0.03070 0.14327 0.03624
176 12D-1 -0.02028 -0.03070 0.00991 -0.08272 -0.09248
177 12D+2 -0.02449 -0.00289 0.03846 -0.16650 -0.11447
178 12D-2 0.04243 0.04180 -0.00289 0.28838 0.11853
179 13F 0 0.00147 0.00087 -0.00050 -0.00032 0.00188
180 13F+1 -0.00024 -0.00015 0.00009 0.00071 -0.00152
181 13F-1 0.00014 0.00009 -0.00005 -0.00041 0.00124
182 13F+2 -0.00084 -0.00060 0.00075 -0.00090 -0.00268
183 13F-2 0.00146 0.00145 -0.00060 0.00155 0.00182
184 13F+3 0.00000 -0.00047 -0.00082 0.00000 -0.00216
185 13F-3 -0.00190 -0.00135 0.00078 0.00235 -0.00261
186 14F 0 0.00163 0.00185 -0.00107 0.02464 0.01200
187 14F+1 -0.00161 0.00400 -0.00161 -0.01117 -0.00891
188 14F-1 0.00093 -0.00161 0.00214 0.00645 0.00212
189 14F+2 -0.00284 0.00068 0.00530 -0.01333 0.00765
190 14F-2 0.00492 0.00452 0.00068 0.02309 0.01863
191 14F+3 0.00000 -0.00414 -0.00716 0.00000 0.00690
192 14F-3 -0.00292 -0.00002 0.00001 -0.05302 -0.02390
193 15G 0 0.00008 0.00011 -0.00007 0.00020 -0.00006
194 15G+1 -0.00044 0.00015 -0.00001 -0.00188 -0.00086
195 15G-1 0.00025 -0.00001 0.00014 0.00109 0.00071
196 15G+2 -0.00003 -0.00023 0.00001 0.00008 0.00063
197 15G-2 0.00006 0.00028 -0.00023 -0.00013 -0.00031
198 15G+3 0.00000 -0.00027 -0.00047 0.00000 -0.00112
199 15G-3 -0.00055 -0.00020 0.00012 -0.00247 -0.00062
200 15G+4 0.00016 0.00032 0.00068 0.00161 0.00061
201 15G-4 0.00027 -0.00031 -0.00032 0.00280 0.00118
202 4 H 1S -0.00180 -0.00039 -0.00023 -0.00586 -0.00675
203 2S 0.04083 0.00610 0.00352 0.08481 0.07093
204 3S -0.81539 0.47203 0.27253 -0.68757 -1.63899
205 4S -1.16396 1.48647 0.85822 -6.49353 -3.89247
206 5S -0.88225 -2.66826 -1.54052 -0.12948 -0.52945
207 6PX 0.00292 0.00196 0.00204 -0.00206 0.00041
208 6PY 0.00169 0.00204 -0.00040 -0.00119 -0.00017
209 6PZ 0.00118 0.00156 0.00090 -0.00392 0.00227
210 7PX -0.00569 -0.00455 -0.00731 0.02696 0.01223
211 7PY -0.00328 -0.00731 0.00389 0.01556 0.00483
212 7PZ -0.00242 -0.00520 -0.00300 0.02654 -0.00673
213 8PX -0.19108 0.17331 0.13519 -0.32930 -0.46768
214 8PY -0.11032 0.13519 0.01720 -0.19012 -0.33787
215 8PZ -0.10277 0.11777 0.06800 -0.21281 -0.13130
216 9PX -0.43219 0.29147 0.17252 -1.71307 -1.14010
217 9PY -0.24952 0.17252 0.09226 -0.98904 -0.40661
218 9PZ -0.18395 0.17091 0.09867 -0.34865 -0.46505
219 10D 0 -0.00048 0.00010 0.00006 -0.00143 -0.00229
220 10D+1 0.00123 0.00029 -0.00018 0.00335 0.00210
221 10D-1 0.00071 -0.00018 0.00051 0.00193 0.00014
222 10D+2 0.00069 0.00054 -0.00061 0.00015 0.00037
223 10D-2 0.00119 0.00001 0.00054 0.00026 0.00443
224 11D 0 0.00834 -0.00394 -0.00228 0.01068 0.02839
225 11D+1 -0.01860 0.01073 0.00956 -0.02541 -0.03309
226 11D-1 -0.01074 0.00956 -0.00031 -0.01467 -0.01489
227 11D+2 -0.01199 0.00198 0.01126 -0.00632 -0.01503
228 11D-2 -0.02077 0.01355 0.00198 -0.01095 -0.05763
229 12D 0 0.02182 -0.00084 -0.00048 0.10142 0.07733
230 12D+1 -0.03513 0.04536 0.03070 -0.14327 -0.03624
231 12D-1 -0.02028 0.03070 0.00991 -0.08272 -0.09248
232 12D+2 -0.02449 0.00289 0.03846 -0.16650 -0.11447
233 12D-2 -0.04243 0.04180 0.00289 -0.28838 -0.11853
234 13F 0 0.00147 -0.00087 -0.00050 -0.00032 0.00188
235 13F+1 0.00024 -0.00015 -0.00009 -0.00071 0.00152
236 13F-1 0.00014 -0.00009 -0.00005 -0.00041 0.00124
237 13F+2 -0.00084 0.00060 0.00075 -0.00090 -0.00268
238 13F-2 -0.00146 0.00145 0.00060 -0.00155 -0.00182
239 13F+3 0.00000 -0.00047 0.00082 0.00000 0.00216
240 13F-3 -0.00190 0.00135 0.00078 0.00235 -0.00261
241 14F 0 0.00163 -0.00185 -0.00107 0.02464 0.01200
242 14F+1 0.00161 0.00400 0.00161 0.01117 0.00891
243 14F-1 0.00093 0.00161 0.00214 0.00645 0.00212
244 14F+2 -0.00284 -0.00068 0.00530 -0.01333 0.00765
245 14F-2 -0.00492 0.00452 -0.00068 -0.02309 -0.01863
246 14F+3 0.00000 -0.00414 0.00716 0.00000 -0.00690
247 14F-3 -0.00292 0.00002 0.00001 -0.05302 -0.02390
248 15G 0 0.00008 -0.00011 -0.00007 0.00020 -0.00006
249 15G+1 0.00044 0.00015 0.00001 0.00188 0.00086
250 15G-1 0.00025 0.00001 0.00014 0.00109 0.00071
251 15G+2 -0.00003 0.00023 0.00001 0.00008 0.00063
252 15G-2 -0.00006 0.00028 0.00023 0.00013 0.00031
253 15G+3 0.00000 -0.00027 0.00047 0.00000 0.00112
254 15G-3 -0.00055 0.00020 0.00012 -0.00247 -0.00062
255 15G+4 0.00016 -0.00032 0.00068 0.00161 0.00061
256 15G-4 -0.00027 -0.00031 0.00032 -0.00280 -0.00118
11 12 13 14 15
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 0.28298 0.42695 0.45960 0.45960 0.46797
1 1 N 1S 0.00000 -0.03473 0.00000 0.00000 0.04603
2 2S 0.00000 0.07040 0.00000 0.00000 -0.10761
3 3S 0.00000 0.01684 0.00000 0.00000 -0.05575
4 4S 0.00000 -0.09705 0.00000 0.00000 -1.70150
5 5S 0.00000 2.42441 0.00000 0.00000 11.32272
6 6S 0.00000 4.87676 0.00000 0.00000 21.35478
7 7PX -0.01362 0.00000 -0.02387 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 -0.02387 0.00000
9 7PZ 0.00000 -0.03484 0.00000 0.00000 -0.00106
10 8PX 0.11112 0.00000 -0.09515 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 -0.09515 0.00000
12 8PZ 0.00000 -0.08166 0.00000 0.00000 0.14614
13 9PX -1.02873 0.00000 0.08329 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 0.08329 0.00000
15 9PZ 0.00000 -0.14798 0.00000 0.00000 -1.00929
16 10PX -5.14958 0.00000 2.32122 0.00000 0.00000
17 10PY 0.00000 0.00000 0.00000 2.32122 0.00000
18 10PZ 0.00000 -0.71066 0.00000 0.00000 -4.60503
19 11PX -4.06643 0.00000 2.10578 0.00000 0.00000
20 11PY 0.00000 0.00000 0.00000 2.10578 0.00000
21 11PZ 0.00000 -0.24339 0.00000 0.00000 -1.65154
22 12D 0 0.00000 0.00106 0.00000 0.00000 -0.00401
23 12D+1 -0.00054 0.00000 -0.00343 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00000 -0.00343 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.00373 0.00000
26 12D-2 -0.00077 0.00000 0.00373 0.00000 0.00000
27 13D 0 0.00000 0.00932 0.00000 0.00000 0.04380
28 13D+1 -0.02395 0.00000 0.04229 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.04229 0.00000
30 13D+2 0.00000 0.00000 0.00000 -0.03927 0.00000
31 13D-2 -0.02504 0.00000 -0.03927 0.00000 0.00000
32 14D 0 0.00000 -0.05811 0.00000 0.00000 -0.60189
33 14D+1 0.51285 0.00000 -0.36452 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 -0.36452 0.00000
35 14D+2 0.00000 0.00000 0.00000 0.25495 0.00000
36 14D-2 0.53710 0.00000 0.25495 0.00000 0.00000
37 15D 0 0.00000 -0.46345 0.00000 0.00000 -1.55173
38 15D+1 1.68945 0.00000 -1.60155 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 -1.60155 0.00000
40 15D+2 0.00000 0.00000 0.00000 0.81209 0.00000
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238 13F-2 -0.00477 0.00123 0.00449 0.00168 -0.00486
239 13F+3 -0.00125 0.00000 0.00183 -0.00317 0.00000
240 13F-3 -0.00451 -0.00031 0.00137 0.00079 -0.00862
241 14F 0 0.02078 0.01163 0.01386 0.00800 0.02701
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245 14F-2 -0.01387 -0.01397 -0.02690 -0.03346 -0.04748
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248 15G 0 -0.00011 0.00031 0.00276 0.00159 0.00115
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250 15G-1 0.00086 0.00003 -0.00107 0.00088 0.00139
251 15G+2 0.00031 -0.00025 -0.00185 -0.00097 -0.00068
252 15G-2 0.00099 -0.00044 -0.00310 -0.00185 -0.00118
253 15G+3 -0.00064 0.00000 -0.00202 0.00351 0.00000
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256 15G-4 -0.00198 0.00066 -0.00036 0.00344 -0.00076
16 17 18 19 20
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 0.48911 0.48911 0.68875 0.71225 0.71225
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55 17F-3 0.00000 0.00000 -0.02431 0.00000 0.00000
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67 19G-2 -0.00205 0.00000 0.00000 0.00000 -0.00214
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
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71 19G-4 0.00333 0.00000 0.00000 0.00000 -0.00382
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75 20G+2 0.00000 0.00928 0.00000 -0.04996 0.00000
76 20G-2 0.00928 0.00000 0.00000 0.00000 0.04996
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.09989 0.00000 0.00000
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80 20G-4 -0.04793 0.00000 0.00000 0.00000 -0.12388
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86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
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89 21H-4 0.00759 0.00000 0.00000 0.00000 0.01358
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91 21H-5 0.00000 -0.00605 0.00000 -0.00754 0.00000
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94 3S 0.00000 0.34125 -1.48827 6.36816 0.00000
95 4S 0.00000 -0.59905 -7.33859 14.11088 0.00000
96 5S 0.00000 2.70655 -0.09497 -0.28217 0.00000
97 6PX -0.00294 0.00000 0.00000 0.00000 0.00047
98 6PY 0.00000 0.00313 -0.00166 0.00274 0.00000
99 6PZ 0.00000 -0.00432 -0.00458 -0.00668 0.00000
100 7PX 0.02910 0.00000 0.00000 0.00000 -0.00464
101 7PY 0.00000 -0.01512 0.00798 0.03474 0.00000
102 7PZ 0.00000 0.02404 0.01626 0.01087 0.00000
103 8PX -0.28465 0.00000 0.00000 0.00000 -0.08472
104 8PY 0.00000 -0.06845 0.58651 -2.27489 0.00000
105 8PZ 0.00000 0.00010 -0.13178 1.09224 0.00000
106 9PX -0.66374 0.00000 0.00000 0.00000 -1.10948
107 9PY 0.00000 -0.45575 1.99023 -4.65535 0.00000
108 9PZ 0.00000 0.73456 1.05501 3.60487 0.00000
109 10D 0 0.00000 0.00199 -0.00362 0.00468 0.00000
110 10D+1 0.00038 0.00000 0.00000 0.00000 0.00175
111 10D-1 0.00000 0.00452 -0.00131 0.01343 0.00000
112 10D+2 0.00000 0.00296 0.00213 0.01238 0.00000
113 10D-2 -0.00470 0.00000 0.00000 0.00000 -0.00050
114 11D 0 0.00000 -0.01277 0.04132 -0.07254 0.00000
115 11D+1 -0.00947 0.00000 0.00000 0.00000 -0.01589
116 11D-1 0.00000 -0.02297 0.02559 -0.21805 0.00000
117 11D+2 0.00000 -0.01841 0.03606 -0.21640 0.00000
118 11D-2 0.03940 0.00000 0.00000 0.00000 0.01130
119 12D 0 0.00000 0.02212 0.23651 0.04318 0.00000
120 12D+1 -0.09538 0.00000 0.00000 0.00000 -0.06048
121 12D-1 0.00000 -0.12761 -0.26293 -0.85864 0.00000
122 12D+2 0.00000 -0.09686 0.21495 -0.50922 0.00000
123 12D-2 0.28977 0.00000 0.00000 0.00000 0.29348
124 13F 0 0.00000 0.00091 0.00158 -0.00600 0.00000
125 13F+1 -0.00063 0.00000 0.00000 0.00000 -0.00090
126 13F-1 0.00000 0.00091 0.00016 0.00798 0.00000
127 13F+2 0.00000 0.00282 0.00618 -0.01342 0.00000
128 13F-2 0.00076 0.00000 0.00000 0.00000 -0.00060
129 13F+3 0.00172 0.00000 0.00000 0.00000 -0.00278
130 13F-3 0.00000 -0.00093 -0.00365 0.01165 0.00000
131 14F 0 0.00000 -0.02460 -0.01649 -0.08635 0.00000
132 14F+1 0.00996 0.00000 0.00000 0.00000 0.01381
133 14F-1 0.00000 -0.00945 -0.07260 -0.08499 0.00000
134 14F+2 0.00000 -0.03878 -0.05186 -0.12245 0.00000
135 14F-2 0.03563 0.00000 0.00000 0.00000 0.02867
136 14F+3 0.05796 0.00000 0.00000 0.00000 0.06348
137 14F-3 0.00000 0.02333 -0.01555 0.06071 0.00000
138 15G 0 0.00000 -0.00156 -0.00406 -0.00496 0.00000
139 15G+1 0.00103 0.00000 0.00000 0.00000 0.00070
140 15G-1 0.00000 0.00157 0.00031 0.00388 0.00000
141 15G+2 0.00000 -0.00087 -0.00460 -0.00621 0.00000
142 15G-2 0.00006 0.00000 0.00000 0.00000 -0.00142
143 15G+3 0.00371 0.00000 0.00000 0.00000 0.00152
144 15G-3 0.00000 0.00146 0.00225 0.00723 0.00000
145 15G+4 0.00000 0.00132 -0.00178 0.00326 0.00000
146 15G-4 -0.00474 0.00000 0.00000 0.00000 -0.00395
147 3 H 1S -0.00483 0.00279 0.00620 0.01225 0.02121
148 2S -0.10815 0.06244 -0.01026 0.21909 0.37947
149 3S 0.29553 -0.17062 -1.48827 -3.18408 -5.51499
150 4S -0.51879 0.29953 -7.33859 -7.05544 -12.22038
151 5S 2.34394 -1.35327 -0.09497 0.14109 0.24437
152 6PX 0.00161 -0.00263 -0.00144 -0.00139 -0.00194
153 6PY -0.00263 -0.00143 0.00083 0.00033 0.00139
154 6PZ -0.00374 0.00216 -0.00458 0.00334 0.00579
155 7PX -0.00407 0.01915 0.00691 -0.01303 -0.02721
156 7PY 0.01915 0.01804 -0.00399 0.01217 0.01303
157 7PZ 0.02082 -0.01202 0.01626 -0.00543 -0.00941
158 8PX -0.12250 -0.09362 0.50793 1.02174 1.68499
159 8PY -0.09362 -0.23060 -0.29325 -0.50518 -1.02174
160 8PZ 0.00009 -0.00005 -0.13178 -0.54612 -0.94591
161 9PX -0.50775 -0.09006 1.72359 2.49624 3.21414
162 9PY -0.09006 -0.61174 -0.99511 -0.33173 -2.49624
163 9PZ 0.63615 -0.36728 1.05501 -1.80243 -3.12191
164 10D 0 0.00172 -0.00099 -0.00362 -0.00234 -0.00405
165 10D+1 0.00349 -0.00179 -0.00113 -0.00657 -0.00964
166 10D-1 -0.00179 0.00142 0.00065 0.00205 0.00657
167 10D+2 -0.00331 -0.00279 -0.00107 0.00347 0.00515
168 10D-2 0.00104 -0.00331 0.00185 -0.00515 -0.00941
169 11D 0 -0.01106 0.00638 0.04132 0.03627 0.06282
170 11D+1 -0.01959 0.00585 0.02216 0.10130 0.15956
171 11D-1 0.00585 -0.01284 -0.01279 -0.04260 -0.10130
172 11D+2 0.02503 0.02495 -0.01803 -0.06258 -0.08881
173 11D-2 -0.00396 0.02503 0.03123 0.08881 0.16512
174 12D 0 0.01915 -0.01106 0.23651 -0.02159 -0.03740
175 12D+1 -0.11956 0.01396 -0.22771 0.39799 0.62886
176 12D-1 0.01396 -0.10344 0.13147 -0.16930 -0.39799
177 12D+2 0.16741 0.19311 -0.10748 -0.34741 -0.09342
178 12D-2 -0.00020 0.16741 0.18616 0.09342 0.45528
179 13F 0 0.00079 -0.00045 0.00158 0.00300 0.00519
180 13F+1 0.00053 -0.00067 0.00014 -0.00307 -0.00621
181 13F-1 -0.00067 -0.00024 -0.00008 0.00267 0.00307
182 13F+2 -0.00089 0.00127 -0.00309 -0.00290 -0.00607
183 13F-2 0.00231 -0.00089 0.00535 0.00607 0.00991
184 13F+3 -0.00086 -0.00149 0.00000 -0.00241 0.00139
185 13F-3 -0.00081 0.00047 -0.00365 -0.00583 -0.01009
186 14F 0 -0.02130 0.01230 -0.01649 0.04318 0.07478
187 14F+1 -0.00460 0.00841 -0.06287 0.03082 0.06719
188 14F-1 0.00841 0.00511 0.03630 -0.03160 -0.03082
189 14F+2 0.03222 0.01703 0.02593 -0.05212 -0.04061
190 14F-2 -0.02018 0.03222 -0.04492 0.04061 0.09900
191 14F+3 -0.02898 -0.05020 0.00000 0.05498 -0.03174
192 14F-3 0.02021 -0.01167 -0.01555 -0.03035 -0.05258
193 15G 0 -0.00135 0.00078 -0.00406 0.00248 0.00430
194 15G+1 0.00144 -0.00023 0.00027 -0.00198 -0.00274
195 15G-1 -0.00023 0.00117 -0.00016 0.00045 0.00198
196 15G+2 0.00040 -0.00017 0.00230 -0.00049 -0.00330
197 15G-2 -0.00064 0.00040 -0.00399 0.00330 0.00431
198 15G+3 -0.00185 -0.00321 0.00000 0.00131 -0.00076
199 15G-3 0.00127 -0.00073 0.00225 -0.00362 -0.00626
200 15G+4 0.00148 0.00389 0.00089 -0.00215 0.00312
201 15G-4 -0.00218 -0.00148 0.00154 0.00312 0.00146
202 4 H 1S 0.00483 0.00279 0.00620 0.01225 -0.02121
203 2S 0.10815 0.06244 -0.01026 0.21909 -0.37947
204 3S -0.29553 -0.17062 -1.48827 -3.18408 5.51499
205 4S 0.51879 0.29953 -7.33859 -7.05544 12.22038
206 5S -2.34394 -1.35327 -0.09497 0.14109 -0.24437
207 6PX 0.00161 0.00263 0.00144 0.00139 -0.00194
208 6PY 0.00263 -0.00143 0.00083 0.00033 -0.00139
209 6PZ 0.00374 0.00216 -0.00458 0.00334 -0.00579
210 7PX -0.00407 -0.01915 -0.00691 0.01303 -0.02721
211 7PY -0.01915 0.01804 -0.00399 0.01217 -0.01303
212 7PZ -0.02082 -0.01202 0.01626 -0.00543 0.00941
213 8PX -0.12250 0.09362 -0.50793 -1.02174 1.68499
214 8PY 0.09362 -0.23060 -0.29325 -0.50518 1.02174
215 8PZ -0.00009 -0.00005 -0.13178 -0.54612 0.94591
216 9PX -0.50775 0.09006 -1.72359 -2.49624 3.21414
217 9PY 0.09006 -0.61174 -0.99511 -0.33173 2.49624
218 9PZ -0.63615 -0.36728 1.05501 -1.80243 3.12191
219 10D 0 -0.00172 -0.00099 -0.00362 -0.00234 0.00405
220 10D+1 0.00349 0.00179 0.00113 0.00657 -0.00964
221 10D-1 0.00179 0.00142 0.00065 0.00205 -0.00657
222 10D+2 0.00331 -0.00279 -0.00107 0.00347 -0.00515
223 10D-2 0.00104 0.00331 -0.00185 0.00515 -0.00941
224 11D 0 0.01106 0.00638 0.04132 0.03627 -0.06282
225 11D+1 -0.01959 -0.00585 -0.02216 -0.10130 0.15956
226 11D-1 -0.00585 -0.01284 -0.01279 -0.04260 0.10130
227 11D+2 -0.02503 0.02495 -0.01803 -0.06258 0.08881
228 11D-2 -0.00396 -0.02503 -0.03123 -0.08881 0.16512
229 12D 0 -0.01915 -0.01106 0.23651 -0.02159 0.03740
230 12D+1 -0.11956 -0.01396 0.22771 -0.39799 0.62886
231 12D-1 -0.01396 -0.10344 0.13147 -0.16930 0.39799
232 12D+2 -0.16741 0.19311 -0.10748 -0.34741 0.09342
233 12D-2 -0.00020 -0.16741 -0.18616 -0.09342 0.45528
234 13F 0 -0.00079 -0.00045 0.00158 0.00300 -0.00519
235 13F+1 0.00053 0.00067 -0.00014 0.00307 -0.00621
236 13F-1 0.00067 -0.00024 -0.00008 0.00267 -0.00307
237 13F+2 0.00089 0.00127 -0.00309 -0.00290 0.00607
238 13F-2 0.00231 0.00089 -0.00535 -0.00607 0.00991
239 13F+3 -0.00086 0.00149 0.00000 0.00241 0.00139
240 13F-3 0.00081 0.00047 -0.00365 -0.00583 0.01009
241 14F 0 0.02130 0.01230 -0.01649 0.04318 -0.07478
242 14F+1 -0.00460 -0.00841 0.06287 -0.03082 0.06719
243 14F-1 -0.00841 0.00511 0.03630 -0.03160 0.03082
244 14F+2 -0.03222 0.01703 0.02593 -0.05212 0.04061
245 14F-2 -0.02018 -0.03222 0.04492 -0.04061 0.09900
246 14F+3 -0.02898 0.05020 0.00000 -0.05498 -0.03174
247 14F-3 -0.02021 -0.01167 -0.01555 -0.03035 0.05258
248 15G 0 0.00135 0.00078 -0.00406 0.00248 -0.00430
249 15G+1 0.00144 0.00023 -0.00027 0.00198 -0.00274
250 15G-1 0.00023 0.00117 -0.00016 0.00045 -0.00198
251 15G+2 -0.00040 -0.00017 0.00230 -0.00049 0.00330
252 15G-2 -0.00064 -0.00040 0.00399 -0.00330 0.00431
253 15G+3 -0.00185 0.00321 0.00000 -0.00131 -0.00076
254 15G-3 -0.00127 -0.00073 0.00225 -0.00362 0.00626
255 15G+4 -0.00148 0.00389 0.00089 -0.00215 -0.00312
256 15G-4 -0.00218 0.00148 -0.00154 -0.00312 0.00146
21 22 23 24 25
(A2)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 0.71652 0.80415 0.80415 0.88352 0.88352
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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 0.00000 0.00631 0.00000 -0.02556
8 7PY 0.00000 0.00631 0.00000 -0.02556 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.20762 0.00000 0.24819
11 8PY 0.00000 0.20762 0.00000 0.24819 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 -1.89087 0.00000 -3.46148
14 9PY 0.00000 -1.89087 0.00000 -3.46148 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 -7.33713 0.00000 -5.48936
17 10PY 0.00000 -7.33713 0.00000 -5.48936 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 -0.81759 0.00000 -0.54255
20 11PY 0.00000 -0.81759 0.00000 -0.54255 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 0.00538 0.00000 -0.00778
24 12D-1 0.00000 0.00538 0.00000 -0.00778 0.00000
25 12D+2 0.00000 0.00345 0.00000 -0.01557 0.00000
26 12D-2 0.00000 0.00000 0.00345 0.00000 -0.01557
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 -0.04826 0.00000 0.00315
29 13D-1 0.00000 -0.04826 0.00000 0.00315 0.00000
30 13D+2 0.00000 -0.03888 0.00000 0.04006 0.00000
31 13D-2 0.00000 0.00000 -0.03888 0.00000 0.04006
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 1.26597 0.00000 1.07266
34 14D-1 0.00000 1.26597 0.00000 1.07266 0.00000
35 14D+2 0.00000 1.25949 0.00000 0.77545 0.00000
36 14D-2 0.00000 0.00000 1.25949 0.00000 0.77545
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 2.92939 0.00000 0.11867
39 15D-1 0.00000 2.92939 0.00000 0.11867 0.00000
40 15D+2 0.00000 2.96668 0.00000 -1.44529 0.00000
41 15D-2 0.00000 0.00000 2.96668 0.00000 -1.44529
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00532 0.00000 -0.00620
44 16F-1 0.00000 0.00532 0.00000 -0.00620 0.00000
45 16F+2 0.00000 0.01686 0.00000 0.01529 0.00000
46 16F-2 0.00000 0.00000 0.01686 0.00000 0.01529
47 16F+3 -0.01584 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 -0.03306 0.00000 0.05313
51 17F-1 0.00000 -0.03306 0.00000 0.05313 0.00000
52 17F+2 0.00000 -0.18773 0.00000 -0.18363 0.00000
53 17F-2 0.00000 0.00000 -0.18773 0.00000 -0.18363
54 17F+3 0.12081 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 -0.53831 0.00000 0.07824
58 18F-1 0.00000 -0.53831 0.00000 0.07824 0.00000
59 18F+2 0.00000 -0.96510 0.00000 0.46104 0.00000
60 18F-2 0.00000 0.00000 -0.96510 0.00000 0.46104
61 18F+3 0.92936 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 -0.00663 0.00000 -0.01160
65 19G-1 0.00000 -0.00663 0.00000 -0.01160 0.00000
66 19G+2 0.00000 -0.00389 0.00000 0.00656 0.00000
67 19G-2 0.00000 0.00000 -0.00389 0.00000 0.00656
68 19G+3 0.00593 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.00715 0.00000 -0.00799 0.00000
71 19G-4 0.00000 0.00000 0.00715 0.00000 0.00799
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 -0.02562 0.00000 -0.04548
74 20G-1 0.00000 -0.02562 0.00000 -0.04548 0.00000
75 20G+2 0.00000 0.10926 0.00000 -0.04794 0.00000
76 20G-2 0.00000 0.00000 0.10926 0.00000 -0.04794
77 20G+3 -0.16692 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.02667 0.00000 -0.10212 0.00000
80 20G-4 0.00000 0.00000 -0.02667 0.00000 0.10212
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.01460 0.00000 0.00049
83 21H-1 0.00000 0.01460 0.00000 0.00049 0.00000
84 21H+2 0.00000 0.00154 0.00000 0.00171 0.00000
85 21H-2 0.00000 0.00000 0.00154 0.00000 0.00171
86 21H+3 0.00673 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00192 0.00000 0.01620 0.00000
89 21H-4 0.00000 0.00000 -0.00192 0.00000 -0.01620
90 21H+5 0.00000 0.00000 0.00677 0.00000 -0.00387
91 21H-5 0.00000 -0.00677 0.00000 0.00387 0.00000
92 2 H 1S 0.00000 -0.02336 0.00000 0.02654 0.00000
93 2S 0.00000 -0.39561 0.00000 -0.49811 0.00000
94 3S 0.00000 5.46874 0.00000 2.66230 0.00000
95 4S 0.00000 11.41029 0.00000 8.10067 0.00000
96 5S 0.00000 -0.92086 0.00000 0.22585 0.00000
97 6PX -0.00418 0.00000 0.00524 0.00000 0.00913
98 6PY 0.00000 0.00138 0.00000 0.00537 0.00000
99 6PZ 0.00000 0.00145 0.00000 -0.00324 0.00000
100 7PX 0.01030 0.00000 -0.01404 0.00000 -0.07384
101 7PY 0.00000 0.05447 0.00000 0.04582 0.00000
102 7PZ 0.00000 -0.01164 0.00000 -0.01756 0.00000
103 8PX 0.34995 0.00000 -0.18087 0.00000 0.61080
104 8PY 0.00000 -2.29135 0.00000 -1.59694 0.00000
105 8PZ 0.00000 0.46690 0.00000 0.85406 0.00000
106 9PX 1.92763 0.00000 -1.54481 0.00000 0.39971
107 9PY 0.00000 -5.57043 0.00000 -5.62096 0.00000
108 9PZ 0.00000 0.31871 0.00000 1.88889 0.00000
109 10D 0 0.00000 0.01057 0.00000 0.00176 0.00000
110 10D+1 -0.00513 0.00000 -0.00084 0.00000 -0.00012
111 10D-1 0.00000 0.00667 0.00000 0.01950 0.00000
112 10D+2 0.00000 0.01762 0.00000 0.01651 0.00000
113 10D-2 0.00345 0.00000 -0.00072 0.00000 0.01482
114 11D 0 0.00000 -0.12346 0.00000 -0.03195 0.00000
115 11D+1 0.03738 0.00000 0.00173 0.00000 0.00292
116 11D-1 0.00000 -0.11925 0.00000 -0.21003 0.00000
117 11D+2 0.00000 -0.23155 0.00000 -0.19368 0.00000
118 11D-2 -0.04698 0.00000 0.02346 0.00000 -0.10164
119 12D 0 0.00000 -0.67391 0.00000 -0.48805 0.00000
120 12D+1 0.27920 0.00000 -0.26450 0.00000 0.20232
121 12D-1 0.00000 -0.06310 0.00000 -0.91084 0.00000
122 12D+2 0.00000 -0.96832 0.00000 -1.06357 0.00000
123 12D-2 -0.66899 0.00000 0.40585 0.00000 -0.32700
124 13F 0 0.00000 -0.00943 0.00000 -0.00361 0.00000
125 13F+1 -0.00153 0.00000 -0.00121 0.00000 0.00066
126 13F-1 0.00000 -0.00072 0.00000 -0.00470 0.00000
127 13F+2 0.00000 -0.00847 0.00000 -0.00393 0.00000
128 13F-2 0.00258 0.00000 -0.00445 0.00000 0.00230
129 13F+3 0.00490 0.00000 -0.00043 0.00000 -0.00446
130 13F-3 0.00000 0.00854 0.00000 0.00738 0.00000
131 14F 0 0.00000 -0.02915 0.00000 -0.11664 0.00000
132 14F+1 -0.00598 0.00000 0.01478 0.00000 -0.02420
133 14F-1 0.00000 0.16182 0.00000 0.05315 0.00000
134 14F+2 0.00000 -0.03118 0.00000 -0.19976 0.00000
135 14F-2 -0.09016 0.00000 0.07734 0.00000 -0.05419
136 14F+3 -0.14880 0.00000 0.07022 0.00000 -0.07382
137 14F-3 0.00000 0.14606 0.00000 0.15391 0.00000
138 15G 0 0.00000 0.00532 0.00000 0.00058 0.00000
139 15G+1 -0.00220 0.00000 0.00187 0.00000 -0.00107
140 15G-1 0.00000 0.00507 0.00000 0.00902 0.00000
141 15G+2 0.00000 0.00915 0.00000 -0.00043 0.00000
142 15G-2 0.00258 0.00000 0.00017 0.00000 0.00152
143 15G+3 -0.00671 0.00000 0.00575 0.00000 -0.00360
144 15G-3 0.00000 0.00098 0.00000 0.01290 0.00000
145 15G+4 0.00000 0.00711 0.00000 0.00829 0.00000
146 15G-4 0.00981 0.00000 -0.00508 0.00000 0.00552
147 3 H 1S 0.00000 0.01168 -0.02023 -0.01327 0.02298
148 2S 0.00000 0.19780 -0.34260 0.24905 -0.43137
149 3S 0.00000 -2.73437 4.73607 -1.33115 2.30562
150 4S 0.00000 -5.70514 9.88160 -4.05034 7.01539
151 5S 0.00000 0.46043 -0.79749 -0.11293 0.19560
152 6PX 0.00209 0.00168 0.00234 0.00163 0.00631
153 6PY 0.00362 0.00428 0.00168 0.00819 0.00163
154 6PZ 0.00000 -0.00072 0.00125 0.00162 -0.00281
155 7PX -0.00515 -0.02966 0.03734 -0.05182 0.01591
156 7PY -0.00892 0.00309 -0.02966 -0.04392 -0.05182
157 7PZ 0.00000 0.00582 -0.01008 0.00878 -0.01521
158 8PX -0.17497 0.91387 -1.76373 0.95598 -1.04500
159 8PY -0.30306 -0.70849 0.91387 0.05886 0.95598
160 8PZ 0.00000 -0.23345 0.40435 -0.42703 0.73963
161 9PX -0.96382 1.74314 -4.56402 2.60703 -4.11579
162 9PY -1.66938 -2.55122 1.74314 -1.10545 2.60703
163 9PZ 0.00000 -0.15935 0.27601 -0.94445 1.63583
164 10D 0 0.00000 -0.00528 0.00915 -0.00088 0.00153
165 10D+1 0.00257 -0.00325 0.00479 -0.00850 0.01460
166 10D-1 0.00445 0.00104 -0.00325 0.00478 -0.00850
167 10D+2 -0.00298 0.00386 -0.00794 0.01524 -0.00073
168 10D-2 -0.00172 -0.00794 0.01303 -0.00073 0.01608
169 11D 0 0.00000 0.06173 -0.10692 0.01597 -0.02767
170 11D+1 -0.01869 0.05239 -0.08901 0.09221 -0.15680
171 11D-1 -0.03237 -0.02852 0.05239 -0.05032 0.09221
172 11D+2 0.04068 -0.04029 0.11042 -0.12465 0.03985
173 11D-2 0.02349 0.11042 -0.16780 0.03985 -0.17067
174 12D 0 0.00000 0.33695 -0.58362 0.24403 -0.42267
175 12D+1 -0.13960 -0.08721 -0.11345 0.48201 -0.63255
176 12D-1 -0.24180 -0.21415 -0.08721 -0.07597 0.48201
177 12D+2 0.57937 0.06231 0.59503 -0.51114 0.31895
178 12D-2 0.33450 0.59503 -0.62477 0.31895 -0.87943
179 13F 0 0.00000 0.00472 -0.00817 0.00181 -0.00313
180 13F+1 0.00077 -0.00021 -0.00084 0.00232 -0.00336
181 13F-1 0.00133 -0.00109 -0.00021 -0.00068 0.00232
182 13F+2 -0.00223 -0.00545 0.00174 0.00074 0.00270
183 13F-2 -0.00129 0.00174 -0.00746 0.00270 -0.00237
184 13F+3 0.00490 0.00037 0.00022 0.00386 0.00223
185 13F-3 0.00000 -0.00427 0.00739 -0.00369 0.00639
186 14F 0 0.00000 0.01457 -0.02524 0.05832 -0.10102
187 14F+1 0.00299 -0.06367 0.12506 -0.03349 0.03381
188 14F-1 0.00518 0.05154 -0.06367 -0.00486 -0.03349
189 14F+2 0.07808 0.05021 0.04699 -0.09058 0.06303
190 14F-2 0.04508 0.04699 -0.00405 0.06303 -0.16337
191 14F+3 -0.14880 -0.06081 -0.03511 0.06393 0.03691
192 14F-3 0.00000 -0.07303 0.12649 -0.07696 0.13329
193 15G 0 0.00000 -0.00266 0.00461 -0.00029 0.00050
194 15G+1 0.00110 -0.00139 0.00427 -0.00437 0.00650
195 15G-1 0.00190 0.00267 -0.00139 0.00145 -0.00437
196 15G+2 -0.00223 0.00242 -0.00389 0.00103 0.00084
197 15G-2 -0.00129 -0.00389 0.00690 0.00084 0.00006
198 15G+3 -0.00671 -0.00498 -0.00288 0.00312 0.00180
199 15G-3 0.00000 -0.00049 0.00085 -0.00645 0.01117
200 15G+4 0.00850 0.00558 -0.00088 -0.00207 -0.00598
201 15G-4 -0.00491 0.00088 -0.00660 0.00598 -0.00484
202 4 H 1S 0.00000 0.01168 0.02023 -0.01327 -0.02298
203 2S 0.00000 0.19780 0.34260 0.24905 0.43137
204 3S 0.00000 -2.73437 -4.73607 -1.33115 -2.30562
205 4S 0.00000 -5.70514 -9.88160 -4.05034 -7.01539
206 5S 0.00000 0.46043 0.79749 -0.11293 -0.19560
207 6PX 0.00209 -0.00168 0.00234 -0.00163 0.00631
208 6PY -0.00362 0.00428 -0.00168 0.00819 -0.00163
209 6PZ 0.00000 -0.00072 -0.00125 0.00162 0.00281
210 7PX -0.00515 0.02966 0.03734 0.05182 0.01591
211 7PY 0.00892 0.00309 0.02966 -0.04392 0.05182
212 7PZ 0.00000 0.00582 0.01008 0.00878 0.01521
213 8PX -0.17497 -0.91387 -1.76373 -0.95598 -1.04500
214 8PY 0.30306 -0.70849 -0.91387 0.05886 -0.95598
215 8PZ 0.00000 -0.23345 -0.40435 -0.42703 -0.73963
216 9PX -0.96382 -1.74314 -4.56402 -2.60703 -4.11579
217 9PY 1.66938 -2.55122 -1.74314 -1.10545 -2.60703
218 9PZ 0.00000 -0.15935 -0.27601 -0.94445 -1.63583
219 10D 0 0.00000 -0.00528 -0.00915 -0.00088 -0.00153
220 10D+1 0.00257 0.00325 0.00479 0.00850 0.01460
221 10D-1 -0.00445 0.00104 0.00325 0.00478 0.00850
222 10D+2 0.00298 0.00386 0.00794 0.01524 0.00073
223 10D-2 -0.00172 0.00794 0.01303 0.00073 0.01608
224 11D 0 0.00000 0.06173 0.10692 0.01597 0.02767
225 11D+1 -0.01869 -0.05239 -0.08901 -0.09221 -0.15680
226 11D-1 0.03237 -0.02852 -0.05239 -0.05032 -0.09221
227 11D+2 -0.04068 -0.04029 -0.11042 -0.12465 -0.03985
228 11D-2 0.02349 -0.11042 -0.16780 -0.03985 -0.17067
229 12D 0 0.00000 0.33695 0.58362 0.24403 0.42267
230 12D+1 -0.13960 0.08721 -0.11345 -0.48201 -0.63255
231 12D-1 0.24180 -0.21415 0.08721 -0.07597 -0.48201
232 12D+2 -0.57937 0.06231 -0.59503 -0.51114 -0.31895
233 12D-2 0.33450 -0.59503 -0.62477 -0.31895 -0.87943
234 13F 0 0.00000 0.00472 0.00817 0.00181 0.00313
235 13F+1 0.00077 0.00021 -0.00084 -0.00232 -0.00336
236 13F-1 -0.00133 -0.00109 0.00021 -0.00068 -0.00232
237 13F+2 0.00223 -0.00545 -0.00174 0.00074 -0.00270
238 13F-2 -0.00129 -0.00174 -0.00746 -0.00270 -0.00237
239 13F+3 0.00490 -0.00037 0.00022 -0.00386 0.00223
240 13F-3 0.00000 -0.00427 -0.00739 -0.00369 -0.00639
241 14F 0 0.00000 0.01457 0.02524 0.05832 0.10102
242 14F+1 0.00299 0.06367 0.12506 0.03349 0.03381
243 14F-1 -0.00518 0.05154 0.06367 -0.00486 0.03349
244 14F+2 -0.07808 0.05021 -0.04699 -0.09058 -0.06303
245 14F-2 0.04508 -0.04699 -0.00405 -0.06303 -0.16337
246 14F+3 -0.14880 0.06081 -0.03511 -0.06393 0.03691
247 14F-3 0.00000 -0.07303 -0.12649 -0.07696 -0.13329
248 15G 0 0.00000 -0.00266 -0.00461 -0.00029 -0.00050
249 15G+1 0.00110 0.00139 0.00427 0.00437 0.00650
250 15G-1 -0.00190 0.00267 0.00139 0.00145 0.00437
251 15G+2 0.00223 0.00242 0.00389 0.00103 -0.00084
252 15G-2 -0.00129 0.00389 0.00690 -0.00084 0.00006
253 15G+3 -0.00671 0.00498 -0.00288 -0.00312 0.00180
254 15G-3 0.00000 -0.00049 -0.00085 -0.00645 -0.01117
255 15G+4 -0.00850 0.00558 0.00088 -0.00207 0.00598
256 15G-4 -0.00491 -0.00088 -0.00660 -0.00598 -0.00484
26 27 28 29 30
(A1)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 0.88637 0.98372 1.02659 1.02659 1.15767
1 1 N 1S -0.02212 0.00157 0.00000 0.00000 -0.06602
2 2S -0.02265 -0.00582 0.00000 0.00000 0.07563
3 3S -0.33938 -0.02613 0.00000 0.00000 -0.16522
4 4S 0.02821 -1.16757 0.00000 0.00000 -1.39354
5 5S 15.82937 11.24848 0.00000 0.00000 14.29547
6 6S 23.10045 11.45195 0.00000 0.00000 11.34939
7 7PX 0.00000 0.00000 0.00000 -0.01027 0.00000
8 7PY 0.00000 0.00000 -0.01027 0.00000 0.00000
9 7PZ -0.04668 0.00850 0.00000 0.00000 -0.06985
10 8PX 0.00000 0.00000 0.00000 0.09577 0.00000
11 8PY 0.00000 0.00000 0.09577 0.00000 0.00000
12 8PZ 0.00852 0.02670 0.00000 0.00000 0.06425
13 9PX 0.00000 0.00000 0.00000 -1.58826 0.00000
14 9PY 0.00000 0.00000 -1.58826 0.00000 0.00000
15 9PZ -1.92086 -0.60522 0.00000 0.00000 -1.59252
16 10PX 0.00000 0.00000 0.00000 -1.50543 0.00000
17 10PY 0.00000 0.00000 -1.50543 0.00000 0.00000
18 10PZ -5.86911 -0.10831 0.00000 0.00000 -2.63733
19 11PX 0.00000 0.00000 0.00000 0.83569 0.00000
20 11PY 0.00000 0.00000 0.83569 0.00000 0.00000
21 11PZ -3.42788 -0.39179 0.00000 0.00000 -0.59138
22 12D 0 0.00704 -0.00415 0.00000 0.00000 -0.00163
23 12D+1 0.00000 0.00000 0.00000 -0.00923 0.00000
24 12D-1 0.00000 0.00000 -0.00923 0.00000 0.00000
25 12D+2 0.00000 0.00000 0.00713 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.00713 0.00000
27 13D 0 -0.03206 0.00921 0.00000 0.00000 0.05099
28 13D+1 0.00000 0.00000 0.00000 0.02344 0.00000
29 13D-1 0.00000 0.00000 0.02344 0.00000 0.00000
30 13D+2 0.00000 0.00000 -0.05637 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 -0.05637 0.00000
32 14D 0 -0.29446 -0.87667 0.00000 0.00000 -0.94612
33 14D+1 0.00000 0.00000 0.00000 -0.03942 0.00000
34 14D-1 0.00000 0.00000 -0.03942 0.00000 0.00000
35 14D+2 0.00000 0.00000 1.40304 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 1.40304 0.00000
37 15D 0 0.54534 -3.46521 0.00000 0.00000 -2.17112
38 15D+1 0.00000 0.00000 0.00000 -3.02070 0.00000
39 15D-1 0.00000 0.00000 -3.02070 0.00000 0.00000
40 15D+2 0.00000 0.00000 3.99235 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 3.99235 0.00000
42 16F 0 -0.00778 -0.00267 0.00000 0.00000 -0.01219
43 16F+1 0.00000 0.00000 0.00000 -0.00478 0.00000
44 16F-1 0.00000 0.00000 -0.00478 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.00680 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00680 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00721 0.01130 0.00000 0.00000 0.02370
49 17F 0 0.14730 0.06605 0.00000 0.00000 0.14727
50 17F+1 0.00000 0.00000 0.00000 0.05487 0.00000
51 17F-1 0.00000 0.00000 0.05487 0.00000 0.00000
52 17F+2 0.00000 0.00000 -0.09191 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 -0.09191 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.18158 -0.14344 0.00000 0.00000 -0.24389
56 18F 0 -0.05673 0.20595 0.00000 0.00000 0.43191
57 18F+1 0.00000 0.00000 0.00000 0.89312 0.00000
58 18F-1 0.00000 0.00000 0.89312 0.00000 0.00000
59 18F+2 0.00000 0.00000 -0.54570 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 -0.54570 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.16049 -0.81573 0.00000 0.00000 -0.99297
63 19G 0 -0.00136 -0.00879 0.00000 0.00000 -0.00746
64 19G+1 0.00000 0.00000 0.00000 -0.00131 0.00000
65 19G-1 0.00000 0.00000 -0.00131 0.00000 0.00000
66 19G+2 0.00000 0.00000 0.00005 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00005 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.01880 0.00257 0.00000 0.00000 0.01049
70 19G+4 0.00000 0.00000 -0.00151 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 0.00151 0.00000
72 20G 0 -0.02967 0.12512 0.00000 0.00000 0.07257
73 20G+1 0.00000 0.00000 0.00000 -0.04020 0.00000
74 20G-1 0.00000 0.00000 -0.04020 0.00000 0.00000
75 20G+2 0.00000 0.00000 -0.06472 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 -0.06472 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 -0.00923 0.01780 0.00000 0.00000 0.11146
79 20G+4 0.00000 0.00000 0.00022 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.00022 0.00000
81 21H 0 0.00601 -0.00958 0.00000 0.00000 -0.01419
82 21H+1 0.00000 0.00000 0.00000 -0.01466 0.00000
83 21H-1 0.00000 0.00000 -0.01466 0.00000 0.00000
84 21H+2 0.00000 0.00000 0.01400 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 0.01400 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 -0.00188 0.01809 0.00000 0.00000 0.01225
88 21H+4 0.00000 0.00000 -0.00929 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.00929 0.00000
90 21H+5 0.00000 0.00000 0.00000 0.01776 0.00000
91 21H-5 0.00000 0.00000 -0.01776 0.00000 0.00000
92 2 H 1S -0.00285 0.02451 0.00062 0.00000 -0.04094
93 2S 0.40943 0.13938 -0.13129 0.00000 0.25936
94 3S -1.80191 -2.06737 2.15203 0.00000 -5.23414
95 4S -11.65456 -6.08582 4.99147 0.00000 -3.70141
96 5S -0.07685 0.15732 -0.39872 0.00000 -0.64858
97 6PX 0.00000 0.00000 0.00000 -0.01474 0.00000
98 6PY 0.00784 0.00736 0.01062 0.00000 -0.02087
99 6PZ -0.00172 -0.00777 0.01119 0.00000 0.00118
100 7PX 0.00000 0.00000 0.00000 0.12390 0.00000
101 7PY -0.11774 -0.05847 -0.04621 0.00000 0.05292
102 7PZ 0.03806 0.08029 -0.11283 0.00000 0.03029
103 8PX 0.00000 0.00000 0.00000 -0.83352 0.00000
104 8PY 1.24154 0.98812 -0.66859 0.00000 1.23299
105 8PZ -0.38574 -0.92294 1.27988 0.00000 -0.96595
106 9PX 0.00000 0.00000 0.00000 -3.05088 0.00000
107 9PY 4.94183 1.43798 -2.65186 0.00000 2.23688
108 9PZ -1.08318 -2.49552 2.72778 0.00000 -1.64631
109 10D 0 -0.00528 -0.00394 -0.00404 0.00000 -0.00638
110 10D+1 0.00000 0.00000 0.00000 -0.00167 0.00000
111 10D-1 -0.00880 -0.00816 0.01452 0.00000 -0.01720
112 10D+2 -0.01282 -0.00475 0.00399 0.00000 -0.01020
113 10D-2 0.00000 0.00000 0.00000 -0.00893 0.00000
114 11D 0 0.04324 0.00989 0.01173 0.00000 0.04865
115 11D+1 0.00000 0.00000 0.00000 -0.00977 0.00000
116 11D-1 0.07812 0.09242 -0.15530 0.00000 0.19144
117 11D+2 0.09645 0.05986 -0.07205 0.00000 0.15041
118 11D-2 0.00000 0.00000 0.00000 0.05336 0.00000
119 12D 0 0.41119 -0.28275 0.30936 0.00000 -0.13720
120 12D+1 0.00000 0.00000 0.00000 -0.13423 0.00000
121 12D-1 0.53231 0.81815 -1.10062 0.00000 0.53669
122 12D+2 0.91959 0.20550 -0.33035 0.00000 0.30181
123 12D-2 0.00000 0.00000 0.00000 1.06690 0.00000
124 13F 0 -0.00014 0.00222 -0.00134 0.00000 0.00990
125 13F+1 0.00000 0.00000 0.00000 -0.00474 0.00000
126 13F-1 0.00032 0.00161 -0.00337 0.00000 0.00205
127 13F+2 0.00547 -0.00039 0.00061 0.00000 0.00893
128 13F-2 0.00000 0.00000 0.00000 0.00969 0.00000
129 13F+3 0.00000 0.00000 0.00000 -0.00473 0.00000
130 13F-3 0.00271 -0.00350 0.00001 0.00000 -0.00979
131 14F 0 0.08849 0.04690 -0.09479 0.00000 0.03610
132 14F+1 0.00000 0.00000 0.00000 0.04967 0.00000
133 14F-1 -0.05509 0.09263 -0.10311 0.00000 0.04661
134 14F+2 0.09430 0.11394 -0.16877 0.00000 0.10229
135 14F-2 0.00000 0.00000 0.00000 0.02085 0.00000
136 14F+3 0.00000 0.00000 0.00000 0.18814 0.00000
137 14F-3 -0.15189 -0.00420 0.04710 0.00000 -0.03167
138 15G 0 -0.00038 0.00664 -0.00797 0.00000 0.00517
139 15G+1 0.00000 0.00000 0.00000 0.00225 0.00000
140 15G-1 -0.00822 -0.00095 0.00276 0.00000 -0.00393
141 15G+2 -0.00111 0.00777 -0.00883 0.00000 0.00560
142 15G-2 0.00000 0.00000 0.00000 0.00001 0.00000
143 15G+3 0.00000 0.00000 0.00000 0.00676 0.00000
144 15G-3 -0.00905 -0.00449 0.00720 0.00000 -0.00645
145 15G+4 -0.00865 0.00100 0.00070 0.00000 -0.00242
146 15G-4 0.00000 0.00000 0.00000 -0.01224 0.00000
147 3 H 1S -0.00285 0.02451 -0.00031 0.00054 -0.04094
148 2S 0.40943 0.13938 0.06565 -0.11370 0.25936
149 3S -1.80191 -2.06737 -1.07601 1.86371 -5.23414
150 4S -11.65456 -6.08582 -2.49573 4.32274 -3.70141
151 5S -0.07685 0.15732 0.19936 -0.34530 -0.64858
152 6PX 0.00679 0.00638 -0.01098 0.00428 -0.01808
153 6PY -0.00392 -0.00368 -0.00840 -0.01098 0.01044
154 6PZ -0.00172 -0.00777 -0.00559 0.00969 0.00118
155 7PX -0.10196 -0.05063 0.07366 -0.00369 0.04583
156 7PY 0.05887 0.02923 0.08137 0.07366 -0.02646
157 7PZ 0.03806 0.08029 0.05642 -0.09772 0.03029
158 8PX 1.07521 0.85574 -0.07142 -0.70982 1.06780
159 8PY -0.62077 -0.49406 -0.79228 -0.07142 -0.61649
160 8PZ -0.38574 -0.92294 -0.63994 1.10841 -0.96595
161 9PX 4.27975 1.24533 -0.17278 -2.75161 1.93720
162 9PY -2.47092 -0.71899 -2.95113 -0.17278 -1.11844
163 9PZ -1.08318 -2.49552 -1.36389 2.36232 -1.64631
164 10D 0 -0.00528 -0.00394 0.00202 -0.00350 -0.00638
165 10D+1 -0.00762 -0.00707 -0.00701 0.01047 -0.01490
166 10D-1 0.00440 0.00408 0.00238 -0.00701 0.00860
167 10D+2 0.00641 0.00238 -0.00570 -0.00560 0.00510
168 10D-2 -0.01110 -0.00411 -0.00560 0.00076 -0.00883
169 11D 0 0.04324 0.00989 -0.00587 0.01016 0.04865
170 11D+1 0.06765 0.08003 0.06302 -0.11892 0.16579
171 11D-1 -0.03906 -0.04621 -0.04615 0.06302 -0.09572
172 11D+2 -0.04822 -0.02993 0.02201 0.05430 -0.07521
173 11D-2 0.08353 0.05184 0.05430 -0.04070 0.13026
174 12D 0 0.41119 -0.28275 -0.15468 0.26792 -0.13720
175 12D+1 0.46099 0.70854 0.41846 -0.85902 0.46479
176 12D-1 -0.26615 -0.40907 -0.37582 0.41846 -0.26835
177 12D+2 -0.45980 -0.10275 0.71759 0.60503 -0.15090
178 12D-2 0.79639 0.17796 0.60503 0.01896 0.26137
179 13F 0 -0.00014 0.00222 0.00067 -0.00116 0.00990
180 13F+1 0.00027 0.00139 -0.00059 -0.00371 0.00178
181 13F-1 -0.00016 -0.00080 -0.00440 -0.00059 -0.00102
182 13F+2 -0.00273 0.00019 0.00742 0.00393 -0.00446
183 13F-2 0.00474 -0.00034 0.00393 0.00288 0.00773
184 13F+3 0.00000 0.00000 0.00410 0.00236 0.00000
185 13F-3 0.00271 -0.00350 -0.00001 0.00001 -0.00979
186 14F 0 0.08849 0.04690 0.04740 -0.08209 0.03610
187 14F+1 -0.04771 0.08022 0.06616 -0.06492 0.04036
188 14F-1 0.02754 -0.04631 0.01147 0.06616 -0.02330
189 14F+2 -0.04715 -0.05697 -0.02655 0.08211 -0.05115
190 14F-2 0.08167 0.09867 0.08211 -0.12137 0.08859
191 14F+3 0.00000 0.00000 -0.16293 -0.09407 0.00000
192 14F-3 -0.15189 -0.00420 -0.02355 0.04079 -0.03167
193 15G 0 -0.00038 0.00664 0.00399 -0.00690 0.00517
194 15G+1 -0.00712 -0.00083 -0.00022 0.00264 -0.00341
195 15G-1 0.00411 0.00048 0.00238 -0.00022 0.00197
196 15G+2 0.00055 -0.00388 -0.00220 0.00383 -0.00280
197 15G-2 -0.00096 0.00673 0.00383 -0.00662 0.00485
198 15G+3 0.00000 0.00000 -0.00585 -0.00338 0.00000
199 15G-3 -0.00905 -0.00449 -0.00360 0.00623 -0.00645
200 15G+4 0.00432 -0.00050 0.00936 0.00500 0.00121
201 15G-4 0.00749 -0.00087 -0.00500 -0.00359 0.00210
202 4 H 1S -0.00285 0.02451 -0.00031 -0.00054 -0.04094
203 2S 0.40943 0.13938 0.06565 0.11370 0.25936
204 3S -1.80191 -2.06737 -1.07601 -1.86371 -5.23414
205 4S -11.65456 -6.08582 -2.49573 -4.32274 -3.70141
206 5S -0.07685 0.15732 0.19936 0.34530 -0.64858
207 6PX -0.00679 -0.00638 0.01098 0.00428 0.01808
208 6PY -0.00392 -0.00368 -0.00840 0.01098 0.01044
209 6PZ -0.00172 -0.00777 -0.00559 -0.00969 0.00118
210 7PX 0.10196 0.05063 -0.07366 -0.00369 -0.04583
211 7PY 0.05887 0.02923 0.08137 -0.07366 -0.02646
212 7PZ 0.03806 0.08029 0.05642 0.09772 0.03029
213 8PX -1.07521 -0.85574 0.07142 -0.70982 -1.06780
214 8PY -0.62077 -0.49406 -0.79228 0.07142 -0.61649
215 8PZ -0.38574 -0.92294 -0.63994 -1.10841 -0.96595
216 9PX -4.27975 -1.24533 0.17278 -2.75161 -1.93720
217 9PY -2.47092 -0.71899 -2.95113 0.17278 -1.11844
218 9PZ -1.08318 -2.49552 -1.36389 -2.36232 -1.64631
219 10D 0 -0.00528 -0.00394 0.00202 0.00350 -0.00638
220 10D+1 0.00762 0.00707 0.00701 0.01047 0.01490
221 10D-1 0.00440 0.00408 0.00238 0.00701 0.00860
222 10D+2 0.00641 0.00238 -0.00570 0.00560 0.00510
223 10D-2 0.01110 0.00411 0.00560 0.00076 0.00883
224 11D 0 0.04324 0.00989 -0.00587 -0.01016 0.04865
225 11D+1 -0.06765 -0.08003 -0.06302 -0.11892 -0.16579
226 11D-1 -0.03906 -0.04621 -0.04615 -0.06302 -0.09572
227 11D+2 -0.04822 -0.02993 0.02201 -0.05430 -0.07521
228 11D-2 -0.08353 -0.05184 -0.05430 -0.04070 -0.13026
229 12D 0 0.41119 -0.28275 -0.15468 -0.26792 -0.13720
230 12D+1 -0.46099 -0.70854 -0.41846 -0.85902 -0.46479
231 12D-1 -0.26615 -0.40907 -0.37582 -0.41846 -0.26835
232 12D+2 -0.45980 -0.10275 0.71759 -0.60503 -0.15090
233 12D-2 -0.79639 -0.17796 -0.60503 0.01896 -0.26137
234 13F 0 -0.00014 0.00222 0.00067 0.00116 0.00990
235 13F+1 -0.00027 -0.00139 0.00059 -0.00371 -0.00178
236 13F-1 -0.00016 -0.00080 -0.00440 0.00059 -0.00102
237 13F+2 -0.00273 0.00019 0.00742 -0.00393 -0.00446
238 13F-2 -0.00474 0.00034 -0.00393 0.00288 -0.00773
239 13F+3 0.00000 0.00000 -0.00410 0.00236 0.00000
240 13F-3 0.00271 -0.00350 -0.00001 -0.00001 -0.00979
241 14F 0 0.08849 0.04690 0.04740 0.08209 0.03610
242 14F+1 0.04771 -0.08022 -0.06616 -0.06492 -0.04036
243 14F-1 0.02754 -0.04631 0.01147 -0.06616 -0.02330
244 14F+2 -0.04715 -0.05697 -0.02655 -0.08211 -0.05115
245 14F-2 -0.08167 -0.09867 -0.08211 -0.12137 -0.08859
246 14F+3 0.00000 0.00000 0.16293 -0.09407 0.00000
247 14F-3 -0.15189 -0.00420 -0.02355 -0.04079 -0.03167
248 15G 0 -0.00038 0.00664 0.00399 0.00690 0.00517
249 15G+1 0.00712 0.00083 0.00022 0.00264 0.00341
250 15G-1 0.00411 0.00048 0.00238 0.00022 0.00197
251 15G+2 0.00055 -0.00388 -0.00220 -0.00383 -0.00280
252 15G-2 0.00096 -0.00673 -0.00383 -0.00662 -0.00485
253 15G+3 0.00000 0.00000 0.00585 -0.00338 0.00000
254 15G-3 -0.00905 -0.00449 -0.00360 -0.00623 -0.00645
255 15G+4 0.00432 -0.00050 0.00936 -0.00500 0.00121
256 15G-4 -0.00749 0.00087 0.00500 -0.00359 -0.00210
31 32 33 34 35
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 1.24257 1.24257 1.32326 1.51949 1.51949
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2 2S 0.00000 0.00000 0.07160 0.00000 0.00000
3 3S 0.00000 0.00000 0.05506 0.00000 0.00000
4 4S 0.00000 0.00000 -3.71249 0.00000 0.00000
5 5S 0.00000 0.00000 22.01001 0.00000 0.00000
6 6S 0.00000 0.00000 22.02633 0.00000 0.00000
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8 7PY -0.12199 0.00000 0.00000 -0.03647 0.00000
9 7PZ 0.00000 0.00000 0.06344 0.00000 0.00000
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11 8PY -0.11284 0.00000 0.00000 -0.56925 0.00000
12 8PZ 0.00000 0.00000 0.50582 0.00000 0.00000
13 9PX 0.00000 -1.06694 0.00000 0.00000 2.21566
14 9PY -1.06694 0.00000 0.00000 2.21566 0.00000
15 9PZ 0.00000 0.00000 -1.87464 0.00000 0.00000
16 10PX 0.00000 -3.58399 0.00000 0.00000 19.09610
17 10PY -3.58399 0.00000 0.00000 19.09610 0.00000
18 10PZ 0.00000 0.00000 -11.24545 0.00000 0.00000
19 11PX 0.00000 -2.51170 0.00000 0.00000 1.96089
20 11PY -2.51170 0.00000 0.00000 1.96089 0.00000
21 11PZ 0.00000 0.00000 -1.63511 0.00000 0.00000
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24 12D-1 -0.00516 0.00000 0.00000 -0.01248 0.00000
25 12D+2 -0.00136 0.00000 0.00000 -0.00106 0.00000
26 12D-2 0.00000 -0.00136 0.00000 0.00000 -0.00106
27 13D 0 0.00000 0.00000 0.01492 0.00000 0.00000
28 13D+1 0.00000 0.00265 0.00000 0.00000 0.12611
29 13D-1 0.00265 0.00000 0.00000 0.12611 0.00000
30 13D+2 -0.04552 0.00000 0.00000 0.10064 0.00000
31 13D-2 0.00000 -0.04552 0.00000 0.00000 0.10064
32 14D 0 0.00000 0.00000 -0.59336 0.00000 0.00000
33 14D+1 0.00000 0.44933 0.00000 0.00000 -1.52986
34 14D-1 0.44933 0.00000 0.00000 -1.52986 0.00000
35 14D+2 0.78404 0.00000 0.00000 -1.20231 0.00000
36 14D-2 0.00000 0.78404 0.00000 0.00000 -1.20231
37 15D 0 0.00000 0.00000 -1.53595 0.00000 0.00000
38 15D+1 0.00000 2.28120 0.00000 0.00000 -3.93765
39 15D-1 2.28120 0.00000 0.00000 -3.93765 0.00000
40 15D+2 2.81100 0.00000 0.00000 -4.10552 0.00000
41 15D-2 0.00000 2.81100 0.00000 0.00000 -4.10552
42 16F 0 0.00000 0.00000 -0.02887 0.00000 0.00000
43 16F+1 0.00000 0.00732 0.00000 0.00000 0.01502
44 16F-1 0.00732 0.00000 0.00000 0.01502 0.00000
45 16F+2 0.01442 0.00000 0.00000 -0.01462 0.00000
46 16F-2 0.00000 0.01442 0.00000 0.00000 -0.01462
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.02685 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.24500 0.00000 0.00000
50 17F+1 0.00000 -0.03831 0.00000 0.00000 -0.09408
51 17F-1 -0.03831 0.00000 0.00000 -0.09408 0.00000
52 17F+2 -0.12338 0.00000 0.00000 0.11785 0.00000
53 17F-2 0.00000 -0.12338 0.00000 0.00000 0.11785
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -0.28776 0.00000 0.00000
56 18F 0 0.00000 0.00000 1.35441 0.00000 0.00000
57 18F+1 0.00000 -0.39496 0.00000 0.00000 -0.56227
58 18F-1 -0.39496 0.00000 0.00000 -0.56227 0.00000
59 18F+2 -0.93398 0.00000 0.00000 0.73423 0.00000
60 18F-2 0.00000 -0.93398 0.00000 0.00000 0.73423
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -0.77114 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.01147 0.00000 0.00000
64 19G+1 0.00000 -0.00580 0.00000 0.00000 -0.00300
65 19G-1 -0.00580 0.00000 0.00000 -0.00300 0.00000
66 19G+2 -0.00814 0.00000 0.00000 -0.00042 0.00000
67 19G-2 0.00000 -0.00814 0.00000 0.00000 -0.00042
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.01162 0.00000 0.00000
70 19G+4 -0.01000 0.00000 0.00000 -0.00268 0.00000
71 19G-4 0.00000 0.01000 0.00000 0.00000 0.00268
72 20G 0 0.00000 0.00000 -0.20787 0.00000 0.00000
73 20G+1 0.00000 0.00006 0.00000 0.00000 0.20890
74 20G-1 0.00006 0.00000 0.00000 0.20890 0.00000
75 20G+2 0.10921 0.00000 0.00000 0.03235 0.00000
76 20G-2 0.00000 0.10921 0.00000 0.00000 0.03235
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.24438 0.00000 0.00000
79 20G+4 0.09244 0.00000 0.00000 0.27544 0.00000
80 20G-4 0.00000 -0.09244 0.00000 0.00000 -0.27544
81 21H 0 0.00000 0.00000 -0.00137 0.00000 0.00000
82 21H+1 0.00000 0.01200 0.00000 0.00000 -0.00763
83 21H-1 0.01200 0.00000 0.00000 -0.00763 0.00000
84 21H+2 0.00648 0.00000 0.00000 -0.01420 0.00000
85 21H-2 0.00000 0.00648 0.00000 0.00000 -0.01420
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 -0.02705 0.00000 0.00000
88 21H+4 -0.00685 0.00000 0.00000 -0.03634 0.00000
89 21H-4 0.00000 0.00685 0.00000 0.00000 0.03634
90 21H+5 0.00000 0.01601 0.00000 0.00000 -0.01007
91 21H-5 -0.01601 0.00000 0.00000 0.01007 0.00000
92 2 H 1S 0.04826 0.00000 0.00452 -0.00279 0.00000
93 2S -0.23767 0.00000 0.33303 0.30402 0.00000
94 3S 5.42120 0.00000 -7.03145 -10.99649 0.00000
95 4S 3.95643 0.00000 -9.19331 -13.77625 0.00000
96 5S 1.80719 0.00000 -0.24534 0.80111 0.00000
97 6PX 0.00000 -0.01270 0.00000 0.00000 0.01483
98 6PY 0.02499 0.00000 -0.00012 -0.02459 0.00000
99 6PZ -0.01486 0.00000 0.00811 -0.00504 0.00000
100 7PX 0.00000 0.08698 0.00000 0.00000 -0.02693
101 7PY -0.07307 0.00000 -0.05375 0.13158 0.00000
102 7PZ 0.07221 0.00000 -0.03798 0.03087 0.00000
103 8PX 0.00000 -0.77357 0.00000 0.00000 -0.04885
104 8PY -0.95694 0.00000 2.83126 2.81284 0.00000
105 8PZ -0.17257 0.00000 -0.64174 -1.72592 0.00000
106 9PX 0.00000 -0.30814 0.00000 0.00000 -1.44325
107 9PY -2.52973 0.00000 3.57081 5.11121 0.00000
108 9PZ 0.66884 0.00000 -0.76677 -2.87124 0.00000
109 10D 0 0.01018 0.00000 -0.00012 -0.00410 0.00000
110 10D+1 0.00000 0.00582 0.00000 0.00000 -0.01862
111 10D-1 0.00722 0.00000 -0.00106 -0.00508 0.00000
112 10D+2 0.01694 0.00000 -0.03088 -0.01722 0.00000
113 10D-2 0.00000 -0.00993 0.00000 0.00000 -0.00705
114 11D 0 -0.11068 0.00000 0.09832 0.11019 0.00000
115 11D+1 0.00000 -0.03960 0.00000 0.00000 0.05467
116 11D-1 -0.06847 0.00000 0.12405 0.27729 0.00000
117 11D+2 -0.17134 0.00000 0.34181 0.34588 0.00000
118 11D-2 0.00000 0.10308 0.00000 0.00000 0.06685
119 12D 0 -0.24521 0.00000 0.78015 -0.23162 0.00000
120 12D+1 0.00000 -0.22168 0.00000 0.00000 -0.60973
121 12D-1 0.25674 0.00000 0.22220 0.69141 0.00000
122 12D+2 -0.26356 0.00000 0.27453 0.02505 0.00000
123 12D-2 0.00000 0.46973 0.00000 0.00000 0.64932
124 13F 0 -0.00424 0.00000 0.00915 0.01323 0.00000
125 13F+1 0.00000 -0.00031 0.00000 0.00000 -0.00165
126 13F-1 0.00640 0.00000 -0.00596 -0.00881 0.00000
127 13F+2 -0.00600 0.00000 0.01536 0.03156 0.00000
128 13F-2 0.00000 -0.00112 0.00000 0.00000 -0.00204
129 13F+3 0.00000 0.01027 0.00000 0.00000 -0.00455
130 13F-3 0.00330 0.00000 -0.02679 -0.01900 0.00000
131 14F 0 -0.01877 0.00000 0.03272 0.04957 0.00000
132 14F+1 0.00000 0.01826 0.00000 0.00000 0.01140
133 14F-1 0.07220 0.00000 -0.13348 0.09346 0.00000
134 14F+2 0.01210 0.00000 0.00952 0.02856 0.00000
135 14F-2 0.00000 0.08993 0.00000 0.00000 0.12387
136 14F+3 0.00000 0.07835 0.00000 0.00000 0.16292
137 14F-3 0.08761 0.00000 0.00775 -0.02276 0.00000
138 15G 0 0.00134 0.00000 -0.00639 0.00376 0.00000
139 15G+1 0.00000 0.00194 0.00000 0.00000 0.00265
140 15G-1 0.00369 0.00000 -0.00529 -0.00102 0.00000
141 15G+2 0.00537 0.00000 -0.00635 0.00590 0.00000
142 15G-2 0.00000 -0.00050 0.00000 0.00000 0.00076
143 15G+3 0.00000 0.00743 0.00000 0.00000 0.00946
144 15G-3 -0.00091 0.00000 -0.00277 -0.00429 0.00000
145 15G+4 0.00506 0.00000 -0.00002 -0.00087 0.00000
146 15G-4 0.00000 -0.00815 0.00000 0.00000 -0.00953
147 3 H 1S -0.02413 0.04180 0.00452 0.00139 -0.00241
148 2S 0.11883 -0.20582 0.33303 -0.15201 0.26329
149 3S -2.71060 4.69490 -7.03145 5.49825 -9.52324
150 4S -1.97821 3.42637 -9.19331 6.88813 -11.93058
151 5S -0.90360 1.56507 -0.24534 -0.40055 0.69378
152 6PX -0.01632 0.01557 -0.00010 0.01707 -0.01473
153 6PY -0.00328 -0.01632 0.00006 0.00498 0.01707
154 6PZ 0.00743 -0.01287 0.00811 0.00252 -0.00437
155 7PX 0.06930 -0.03306 -0.04655 -0.06863 0.09195
156 7PY 0.04697 0.06930 0.02687 0.01270 -0.06863
157 7PZ -0.03610 0.06253 -0.03798 -0.01543 0.02673
158 8PX 0.07940 -0.91110 2.45195 -1.23915 2.09742
159 8PY -0.81941 0.07940 -1.41563 0.66657 -1.23915
160 8PZ 0.08629 -0.14945 -0.64174 0.86296 -1.49469
161 9PX 0.96197 -1.97433 3.09242 -2.83817 3.47260
162 9PY -0.86354 0.96197 -1.78541 0.19536 -2.83817
163 9PZ -0.33442 0.57924 -0.76677 1.43562 -2.48657
164 10D 0 -0.00509 0.00882 -0.00012 0.00205 -0.00355
165 10D+1 -0.00061 0.00687 -0.00092 -0.00587 -0.00846
166 10D-1 0.00617 -0.00061 0.00053 -0.01524 -0.00587
167 10D+2 -0.00321 -0.01163 0.01544 -0.00959 0.00441
168 10D-2 -0.01163 0.01022 -0.02674 0.00441 -0.01468
169 11D 0 0.05534 -0.09585 0.09832 -0.05509 0.09543
170 11D+1 0.01250 -0.06125 0.10743 -0.09640 0.22164
171 11D-1 -0.04682 0.01250 -0.06203 0.11032 -0.09640
172 11D+2 0.03448 0.11883 -0.17090 0.13661 -0.12082
173 11D-2 0.11883 -0.10274 0.29601 -0.12082 0.27612
174 12D 0 0.12260 -0.21236 0.78015 0.11581 -0.20059
175 12D+1 -0.20716 0.13713 0.19243 -0.56341 0.36613
176 12D-1 -0.10207 -0.20716 -0.11110 -0.28445 -0.56341
177 12D+2 0.28641 0.31752 -0.13726 0.49326 0.27032
178 12D-2 0.31752 -0.08024 0.23775 0.27032 0.18112
179 13F 0 0.00212 -0.00367 0.00915 -0.00662 0.01146
180 13F+1 -0.00290 0.00472 -0.00517 0.00310 -0.00702
181 13F-1 0.00137 -0.00290 0.00298 -0.00344 0.00310
182 13F+2 -0.00234 0.00211 -0.00768 0.00636 -0.01455
183 13F-2 0.00211 -0.00478 0.01330 -0.01455 0.02316
184 13F+3 -0.00890 -0.00514 0.00000 0.00394 0.00228
185 13F-3 -0.00165 0.00286 -0.02679 0.00950 -0.01646
186 14F 0 0.00938 -0.01625 0.03272 -0.02478 0.04293
187 14F+1 -0.02336 0.05872 -0.11560 -0.03553 0.07294
188 14F-1 0.03175 -0.02336 0.06674 0.03192 -0.03553
189 14F+2 0.07047 0.03370 -0.00476 0.10004 0.04127
190 14F-2 0.03370 0.03156 0.00824 0.04127 0.05239
191 14F+3 -0.06786 -0.03918 0.00000 -0.14109 -0.08146
192 14F-3 -0.04381 0.07587 0.00775 0.01138 -0.01971
193 15G 0 -0.00067 0.00116 -0.00639 -0.00188 0.00326
194 15G+1 -0.00076 0.00325 -0.00458 0.00159 -0.00010
195 15G-1 0.00238 -0.00076 0.00264 0.00173 0.00159
196 15G+2 0.00096 -0.00254 0.00317 0.00204 -0.00222
197 15G-2 -0.00254 0.00390 -0.00550 -0.00222 0.00461
198 15G+3 -0.00643 -0.00372 0.00000 -0.00819 -0.00473
199 15G-3 0.00046 -0.00079 -0.00277 0.00214 -0.00371
200 15G+4 0.00738 0.00134 0.00001 0.00693 0.00451
201 15G-4 -0.00134 -0.00583 0.00002 -0.00451 -0.00173
202 4 H 1S -0.02413 -0.04180 0.00452 0.00139 0.00241
203 2S 0.11883 0.20582 0.33303 -0.15201 -0.26329
204 3S -2.71060 -4.69490 -7.03145 5.49825 9.52324
205 4S -1.97821 -3.42637 -9.19331 6.88813 11.93058
206 5S -0.90360 -1.56507 -0.24534 -0.40055 -0.69378
207 6PX 0.01632 0.01557 0.00010 -0.01707 -0.01473
208 6PY -0.00328 0.01632 0.00006 0.00498 -0.01707
209 6PZ 0.00743 0.01287 0.00811 0.00252 0.00437
210 7PX -0.06930 -0.03306 0.04655 0.06863 0.09195
211 7PY 0.04697 -0.06930 0.02687 0.01270 0.06863
212 7PZ -0.03610 -0.06253 -0.03798 -0.01543 -0.02673
213 8PX -0.07940 -0.91110 -2.45195 1.23915 2.09742
214 8PY -0.81941 -0.07940 -1.41563 0.66657 1.23915
215 8PZ 0.08629 0.14945 -0.64174 0.86296 1.49469
216 9PX -0.96197 -1.97433 -3.09242 2.83817 3.47260
217 9PY -0.86354 -0.96197 -1.78541 0.19536 2.83817
218 9PZ -0.33442 -0.57924 -0.76677 1.43562 2.48657
219 10D 0 -0.00509 -0.00882 -0.00012 0.00205 0.00355
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222 10D+2 -0.00321 0.01163 0.01544 -0.00959 -0.00441
223 10D-2 0.01163 0.01022 0.02674 -0.00441 -0.01468
224 11D 0 0.05534 0.09585 0.09832 -0.05509 -0.09543
225 11D+1 -0.01250 -0.06125 -0.10743 0.09640 0.22164
226 11D-1 -0.04682 -0.01250 -0.06203 0.11032 0.09640
227 11D+2 0.03448 -0.11883 -0.17090 0.13661 0.12082
228 11D-2 -0.11883 -0.10274 -0.29601 0.12082 0.27612
229 12D 0 0.12260 0.21236 0.78015 0.11581 0.20059
230 12D+1 0.20716 0.13713 -0.19243 0.56341 0.36613
231 12D-1 -0.10207 0.20716 -0.11110 -0.28445 0.56341
232 12D+2 0.28641 -0.31752 -0.13726 0.49326 -0.27032
233 12D-2 -0.31752 -0.08024 -0.23775 -0.27032 0.18112
234 13F 0 0.00212 0.00367 0.00915 -0.00662 -0.01146
235 13F+1 0.00290 0.00472 0.00517 -0.00310 -0.00702
236 13F-1 0.00137 0.00290 0.00298 -0.00344 -0.00310
237 13F+2 -0.00234 -0.00211 -0.00768 0.00636 0.01455
238 13F-2 -0.00211 -0.00478 -0.01330 0.01455 0.02316
239 13F+3 0.00890 -0.00514 0.00000 -0.00394 0.00228
240 13F-3 -0.00165 -0.00286 -0.02679 0.00950 0.01646
241 14F 0 0.00938 0.01625 0.03272 -0.02478 -0.04293
242 14F+1 0.02336 0.05872 0.11560 0.03553 0.07294
243 14F-1 0.03175 0.02336 0.06674 0.03192 0.03553
244 14F+2 0.07047 -0.03370 -0.00476 0.10004 -0.04127
245 14F-2 -0.03370 0.03156 -0.00824 -0.04127 0.05239
246 14F+3 0.06786 -0.03918 0.00000 0.14109 -0.08146
247 14F-3 -0.04381 -0.07587 0.00775 0.01138 0.01971
248 15G 0 -0.00067 -0.00116 -0.00639 -0.00188 -0.00326
249 15G+1 0.00076 0.00325 0.00458 -0.00159 -0.00010
250 15G-1 0.00238 0.00076 0.00264 0.00173 -0.00159
251 15G+2 0.00096 0.00254 0.00317 0.00204 0.00222
252 15G-2 0.00254 0.00390 0.00550 0.00222 0.00461
253 15G+3 0.00643 -0.00372 0.00000 0.00819 -0.00473
254 15G-3 0.00046 0.00079 -0.00277 0.00214 0.00371
255 15G+4 0.00738 -0.00134 0.00001 0.00693 -0.00451
256 15G-4 0.00134 -0.00583 -0.00002 0.00451 -0.00173
36 37 38 39 40
(A1)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 1.64032 1.70717 1.77735 1.77735 1.78785
1 1 N 1S -0.01672 0.00000 0.00000 0.00000 0.00000
2 2S 0.04548 0.00000 0.00000 0.00000 0.00000
3 3S 0.11099 0.00000 0.00000 0.00000 0.00000
4 4S -1.93198 0.00000 0.00000 0.00000 0.00000
5 5S 10.64757 0.00000 0.00000 0.00000 0.00000
6 6S 18.32167 0.00000 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 -0.00912 0.00055
8 7PY 0.00000 0.00000 -0.00912 0.00000 0.00000
9 7PZ 0.06189 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 -0.31947 -0.06988
11 8PY 0.00000 0.00000 -0.31947 0.00000 0.00000
12 8PZ 0.27987 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 1.09033 1.07865
14 9PY 0.00000 0.00000 1.09033 0.00000 0.00000
15 9PZ -0.54516 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 13.07613 -1.27161
17 10PY 0.00000 0.00000 13.07613 0.00000 0.00000
18 10PZ -8.79531 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 1.71280 0.11376
20 11PY 0.00000 0.00000 1.71280 0.00000 0.00000
21 11PZ -2.80506 0.00000 0.00000 0.00000 0.00000
22 12D 0 0.00216 0.00000 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 -0.00488 0.02031
24 12D-1 0.00000 0.00000 -0.00488 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.00617 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 -0.00617 -0.00950
27 13D 0 0.00589 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.12104 -0.13142
29 13D-1 0.00000 0.00000 0.12104 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.09745 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.09745 0.05048
32 14D 0 0.05617 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 -1.10901 0.66818
34 14D-1 0.00000 0.00000 -1.10901 0.00000 0.00000
35 14D+2 0.00000 0.00000 -1.19371 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 -1.19371 -0.74626
37 15D 0 1.55990 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 -4.89808 2.38868
39 15D-1 0.00000 0.00000 -4.89808 0.00000 0.00000
40 15D+2 0.00000 0.00000 -4.42513 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 -4.42513 0.14371
42 16F 0 -0.00761 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 -0.00239 0.00708
44 16F-1 0.00000 0.00000 -0.00239 0.00000 0.00000
45 16F+2 0.00000 0.00000 -0.01327 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 -0.01327 0.00397
47 16F+3 0.00000 -0.03620 0.00000 0.00000 0.00000
48 16F-3 0.01319 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.08941 0.00000 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 -0.02918 -0.08242
51 17F-1 0.00000 0.00000 -0.02918 0.00000 0.00000
52 17F+2 0.00000 0.00000 0.12482 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.12482 -0.01091
54 17F+3 0.00000 0.29543 0.00000 0.00000 0.00000
55 17F-3 -0.07946 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.44229 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.23323 -0.90833
58 18F-1 0.00000 0.00000 0.23323 0.00000 0.00000
59 18F+2 0.00000 0.00000 0.77998 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.77998 -0.28677
61 18F+3 0.00000 2.65724 0.00000 0.00000 0.00000
62 18F-3 -0.69402 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00229 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 0.00766 0.00566
65 19G-1 0.00000 0.00000 0.00766 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.00712 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 -0.00712 0.00405
68 19G+3 0.00000 0.01659 0.00000 0.00000 0.00000
69 19G-3 -0.00876 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00279 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.00279 0.00661
72 20G 0 -0.11512 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 0.07600 -0.00294
74 20G-1 0.00000 0.00000 0.07600 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.04888 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.04888 0.08885
77 20G+3 0.00000 -0.41325 0.00000 0.00000 0.00000
78 20G-3 0.19242 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.10490 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.10490 -0.05597
81 21H 0 0.00469 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.00000 -0.00704 0.01229
83 21H-1 0.00000 0.00000 -0.00704 0.00000 0.00000
84 21H+2 0.00000 0.00000 -0.01336 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 -0.01336 -0.00977
86 21H+3 0.00000 0.01486 0.00000 0.00000 0.00000
87 21H-3 -0.02013 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 -0.01762 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.01762 -0.00679
90 21H+5 0.00000 0.00000 0.00000 -0.00994 -0.00543
91 21H-5 0.00000 0.00000 0.00994 0.00000 0.00000
92 2 H 1S 0.01199 0.00000 -0.01119 0.00000 0.00000
93 2S 0.02002 0.00000 0.31392 0.00000 0.00000
94 3S -2.74955 0.00000 -9.98420 0.00000 0.00000
95 4S -7.87238 0.00000 -7.95016 0.00000 0.00000
96 5S -0.11087 0.00000 0.32804 0.00000 0.00000
97 6PX 0.00000 -0.00396 0.00000 -0.00893 -0.00564
98 6PY -0.00131 0.00000 0.00308 0.00000 0.00000
99 6PZ -0.00332 0.00000 0.02714 0.00000 0.00000
100 7PX 0.00000 -0.05871 0.00000 0.04834 0.00512
101 7PY 0.00112 0.00000 -0.03023 0.00000 0.00000
102 7PZ -0.01347 0.00000 -0.12512 0.00000 0.00000
103 8PX 0.00000 1.08280 0.00000 -0.18038 0.04180
104 8PY 1.19728 0.00000 2.82749 0.00000 0.00000
105 8PZ -0.31031 0.00000 -0.39523 0.00000 0.00000
106 9PX 0.00000 2.26504 0.00000 -0.50688 0.32465
107 9PY 3.01900 0.00000 2.34268 0.00000 0.00000
108 9PZ 0.73706 0.00000 -1.27846 0.00000 0.00000
109 10D 0 -0.03238 0.00000 -0.02092 0.00000 0.00000
110 10D+1 0.00000 0.00984 0.00000 0.03756 -0.02575
111 10D-1 -0.01078 0.00000 -0.02826 0.00000 0.00000
112 10D+2 0.01697 0.00000 0.00929 0.00000 0.00000
113 10D-2 0.00000 0.00486 0.00000 0.00440 -0.01592
114 11D 0 0.19220 0.00000 0.17228 0.00000 0.00000
115 11D+1 0.00000 -0.01086 0.00000 -0.18721 0.12336
116 11D-1 0.09900 0.00000 0.30496 0.00000 0.00000
117 11D+2 0.00641 0.00000 0.15778 0.00000 0.00000
118 11D-2 0.00000 -0.10779 0.00000 -0.02286 0.06433
119 12D 0 -0.17684 0.00000 -0.17405 0.00000 0.00000
120 12D+1 0.00000 1.14251 0.00000 0.97017 -0.53684
121 12D-1 -0.46384 0.00000 -0.48905 0.00000 0.00000
122 12D+2 0.83738 0.00000 0.53828 0.00000 0.00000
123 12D-2 0.00000 -1.81680 0.00000 0.41465 -0.60973
124 13F 0 0.00786 0.00000 0.01444 0.00000 0.00000
125 13F+1 0.00000 -0.00693 0.00000 0.00221 -0.00011
126 13F-1 -0.00266 0.00000 -0.01046 0.00000 0.00000
127 13F+2 0.00777 0.00000 0.02028 0.00000 0.00000
128 13F-2 0.00000 0.00561 0.00000 0.01355 -0.00144
129 13F+3 0.00000 0.00640 0.00000 -0.00531 -0.00227
130 13F-3 -0.00254 0.00000 -0.01826 0.00000 0.00000
131 14F 0 -0.04961 0.00000 -0.02176 0.00000 0.00000
132 14F+1 0.00000 0.00884 0.00000 0.01604 -0.01491
133 14F-1 -0.07976 0.00000 0.03534 0.00000 0.00000
134 14F+2 -0.04922 0.00000 -0.01353 0.00000 0.00000
135 14F-2 0.00000 -0.22484 0.00000 -0.11605 -0.00104
136 14F+3 0.00000 -0.33679 0.00000 0.08225 -0.04434
137 14F-3 -0.08163 0.00000 -0.01358 0.00000 0.00000
138 15G 0 -0.00433 0.00000 -0.00007 0.00000 0.00000
139 15G+1 0.00000 -0.00520 0.00000 -0.00289 -0.00152
140 15G-1 0.00220 0.00000 0.00232 0.00000 0.00000
141 15G+2 -0.00546 0.00000 -0.00055 0.00000 0.00000
142 15G-2 0.00000 0.00436 0.00000 -0.00604 0.00196
143 15G+3 0.00000 -0.01626 0.00000 -0.00699 -0.00148
144 15G-3 0.00137 0.00000 0.00001 0.00000 0.00000
145 15G+4 -0.00550 0.00000 -0.00349 0.00000 0.00000
146 15G-4 0.00000 0.02210 0.00000 -0.00537 0.00506
147 3 H 1S 0.01199 0.00000 0.00560 -0.00969 0.00105
148 2S 0.02002 0.00000 -0.15696 0.27186 0.05687
149 3S -2.74955 0.00000 4.99210 -8.64657 0.88210
150 4S -7.87238 0.00000 3.97508 -6.88504 -0.18931
151 5S -0.11087 0.00000 -0.16402 0.28409 -0.13814
152 6PX -0.00114 0.00198 -0.00520 0.00008 0.00262
153 6PY 0.00066 0.00343 -0.00592 -0.00520 -0.00477
154 6PZ -0.00332 0.00000 -0.01357 0.02350 0.00808
155 7PX 0.00097 0.02936 0.03402 -0.01059 -0.01677
156 7PY -0.00056 0.05085 0.02870 0.03402 0.01264
157 7PZ -0.01347 0.00000 0.06256 -0.10836 0.01636
158 8PX 1.03687 -0.54140 -1.30245 2.07552 -0.02382
159 8PY -0.59864 -0.93773 0.57159 -1.30245 0.03788
160 8PZ -0.31031 0.00000 0.19762 -0.34228 -0.44487
161 9PX 2.61453 -1.13252 -1.23390 1.63029 0.04475
162 9PY -1.50950 -1.96158 0.20551 -1.23390 0.16160
163 9PZ 0.73706 0.00000 0.63923 -1.10718 -1.49689
164 10D 0 -0.03238 0.00000 0.01046 -0.01812 -0.02751
165 10D+1 -0.00934 -0.00492 0.02850 -0.01181 -0.01876
166 10D-1 0.00539 -0.00852 0.02110 0.02850 -0.00404
167 10D+2 -0.00849 -0.00421 0.00562 -0.00212 -0.01607
168 10D-2 0.01470 -0.00243 -0.00212 0.00807 0.01192
169 11D 0 0.19220 0.00000 -0.08614 0.14920 0.09829
170 11D+1 0.08574 0.00543 -0.21312 0.18192 0.11279
171 11D-1 -0.04950 0.00940 -0.06417 -0.21312 0.00610
172 11D+2 -0.00320 0.09335 0.02230 -0.07822 0.07503
173 11D-2 0.00555 0.05390 -0.07822 0.11262 -0.06563
174 12D 0 -0.17684 0.00000 0.08703 -0.15074 -1.04813
175 12D+1 -0.40169 -0.57126 0.63186 -0.12425 0.63715
176 12D-1 0.23192 -0.98944 0.60537 0.63186 -0.67781
177 12D+2 -0.41869 1.57339 0.44556 -0.05353 -0.39954
178 12D-2 0.72519 0.90840 -0.05353 0.50737 0.08229
179 13F 0 0.00786 0.00000 -0.00722 0.01251 -0.00605
180 13F+1 -0.00230 0.00346 0.00549 -0.00729 -0.00054
181 13F-1 0.00133 0.00600 -0.00095 0.00549 0.00025
182 13F+2 -0.00388 -0.00486 0.01523 -0.00291 0.00212
183 13F-2 0.00673 -0.00281 -0.00291 0.01859 -0.00511
184 13F+3 0.00000 0.00640 0.00460 0.00266 0.00113
185 13F-3 -0.00254 0.00000 0.00913 -0.01581 -0.00232
186 14F 0 -0.04961 0.00000 0.01088 -0.01885 0.07632
187 14F+1 -0.06908 -0.00442 -0.00836 0.03051 0.14033
188 14F-1 0.03988 -0.00765 0.02086 -0.00836 -0.08963
189 14F+2 0.02461 0.19472 -0.09042 -0.04439 -0.07476
190 14F-2 -0.04262 0.11242 -0.04439 -0.03916 0.12846
191 14F+3 0.00000 -0.33679 -0.07123 -0.04112 0.02217
192 14F-3 -0.08163 0.00000 0.00679 -0.01176 0.02528
193 15G 0 -0.00433 0.00000 0.00003 -0.00006 0.00858
194 15G+1 0.00190 0.00260 -0.00226 0.00102 0.00183
195 15G-1 -0.00110 0.00451 -0.00159 -0.00226 -0.00193
196 15G+2 0.00273 -0.00377 -0.00467 -0.00238 -0.00557
197 15G-2 -0.00473 -0.00218 -0.00238 -0.00192 0.01161
198 15G+3 0.00000 -0.01626 0.00605 0.00349 0.00074
199 15G-3 0.00137 0.00000 0.00000 0.00001 -0.00767
200 15G+4 0.00275 0.01914 0.00315 0.00384 -0.00206
201 15G-4 0.00476 -0.01105 -0.00384 0.00127 0.00148
202 4 H 1S 0.01199 0.00000 0.00560 0.00969 -0.00105
203 2S 0.02002 0.00000 -0.15696 -0.27186 -0.05687
204 3S -2.74955 0.00000 4.99210 8.64657 -0.88210
205 4S -7.87238 0.00000 3.97508 6.88504 0.18931
206 5S -0.11087 0.00000 -0.16402 -0.28409 0.13814
207 6PX 0.00114 0.00198 0.00520 0.00008 0.00262
208 6PY 0.00066 -0.00343 -0.00592 0.00520 0.00477
209 6PZ -0.00332 0.00000 -0.01357 -0.02350 -0.00808
210 7PX -0.00097 0.02936 -0.03402 -0.01059 -0.01677
211 7PY -0.00056 -0.05085 0.02870 -0.03402 -0.01264
212 7PZ -0.01347 0.00000 0.06256 0.10836 -0.01636
213 8PX -1.03687 -0.54140 1.30245 2.07552 -0.02382
214 8PY -0.59864 0.93773 0.57159 1.30245 -0.03788
215 8PZ -0.31031 0.00000 0.19762 0.34228 0.44487
216 9PX -2.61453 -1.13252 1.23390 1.63029 0.04475
217 9PY -1.50950 1.96158 0.20551 1.23390 -0.16160
218 9PZ 0.73706 0.00000 0.63923 1.10718 1.49689
219 10D 0 -0.03238 0.00000 0.01046 0.01812 0.02751
220 10D+1 0.00934 -0.00492 -0.02850 -0.01181 -0.01876
221 10D-1 0.00539 0.00852 0.02110 -0.02850 0.00404
222 10D+2 -0.00849 0.00421 0.00562 0.00212 0.01607
223 10D-2 -0.01470 -0.00243 0.00212 0.00807 0.01192
224 11D 0 0.19220 0.00000 -0.08614 -0.14920 -0.09829
225 11D+1 -0.08574 0.00543 0.21312 0.18192 0.11279
226 11D-1 -0.04950 -0.00940 -0.06417 0.21312 -0.00610
227 11D+2 -0.00320 -0.09335 0.02230 0.07822 -0.07503
228 11D-2 -0.00555 0.05390 0.07822 0.11262 -0.06563
229 12D 0 -0.17684 0.00000 0.08703 0.15074 1.04813
230 12D+1 0.40169 -0.57126 -0.63186 -0.12425 0.63715
231 12D-1 0.23192 0.98944 0.60537 -0.63186 0.67781
232 12D+2 -0.41869 -1.57339 0.44556 0.05353 0.39954
233 12D-2 -0.72519 0.90840 0.05353 0.50737 0.08229
234 13F 0 0.00786 0.00000 -0.00722 -0.01251 0.00605
235 13F+1 0.00230 0.00346 -0.00549 -0.00729 -0.00054
236 13F-1 0.00133 -0.00600 -0.00095 -0.00549 -0.00025
237 13F+2 -0.00388 0.00486 0.01523 0.00291 -0.00212
238 13F-2 -0.00673 -0.00281 0.00291 0.01859 -0.00511
239 13F+3 0.00000 0.00640 -0.00460 0.00266 0.00113
240 13F-3 -0.00254 0.00000 0.00913 0.01581 0.00232
241 14F 0 -0.04961 0.00000 0.01088 0.01885 -0.07632
242 14F+1 0.06908 -0.00442 0.00836 0.03051 0.14033
243 14F-1 0.03988 0.00765 0.02086 0.00836 0.08963
244 14F+2 0.02461 -0.19472 -0.09042 0.04439 0.07476
245 14F-2 0.04262 0.11242 0.04439 -0.03916 0.12846
246 14F+3 0.00000 -0.33679 0.07123 -0.04112 0.02217
247 14F-3 -0.08163 0.00000 0.00679 0.01176 -0.02528
248 15G 0 -0.00433 0.00000 0.00003 0.00006 -0.00858
249 15G+1 -0.00190 0.00260 0.00226 0.00102 0.00183
250 15G-1 -0.00110 -0.00451 -0.00159 0.00226 0.00193
251 15G+2 0.00273 0.00377 -0.00467 0.00238 0.00557
252 15G-2 0.00473 -0.00218 0.00238 -0.00192 0.01161
253 15G+3 0.00000 -0.01626 -0.00605 0.00349 0.00074
254 15G-3 0.00137 0.00000 0.00000 -0.00001 0.00767
255 15G+4 0.00275 -0.01914 0.00315 -0.00384 0.00206
256 15G-4 -0.00476 -0.01105 0.00384 0.00127 0.00148
41 42 43 44 45
(E)--V (A2)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 1.78785 1.83536 1.88302 1.88302 1.91049
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 0.00461
2 2S 0.00000 0.00000 0.00000 0.00000 -0.09542
3 3S 0.00000 0.00000 0.00000 0.00000 -0.39197
4 4S 0.00000 0.00000 0.00000 0.00000 -0.21213
5 5S 0.00000 0.00000 0.00000 0.00000 17.35981
6 6S 0.00000 0.00000 0.00000 0.00000 8.72335
7 7PX 0.00000 0.00000 -0.02574 0.00000 0.00000
8 7PY 0.00055 0.00000 0.00000 -0.02574 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.03681
10 8PX 0.00000 0.00000 0.03642 0.00000 0.00000
11 8PY -0.06988 0.00000 0.00000 0.03642 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.03231
13 9PX 0.00000 0.00000 0.13316 0.00000 0.00000
14 9PY 1.07865 0.00000 0.00000 0.13316 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -1.14458
16 10PX 0.00000 0.00000 -1.09306 0.00000 0.00000
17 10PY -1.27161 0.00000 0.00000 -1.09306 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -1.77325
19 11PX 0.00000 0.00000 -1.05686 0.00000 0.00000
20 11PY 0.11376 0.00000 0.00000 -1.05686 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.24319
22 12D 0 0.00000 0.00000 0.00000 0.00000 -0.02214
23 12D+1 0.00000 0.00000 -0.01503 0.00000 0.00000
24 12D-1 0.02031 0.00000 0.00000 -0.01503 0.00000
25 12D+2 -0.00950 0.00000 0.00000 -0.00455 0.00000
26 12D-2 0.00000 0.00000 -0.00455 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.10684
28 13D+1 0.00000 0.00000 0.12066 0.00000 0.00000
29 13D-1 -0.13142 0.00000 0.00000 0.12066 0.00000
30 13D+2 0.05048 0.00000 0.00000 0.04693 0.00000
31 13D-2 0.00000 0.00000 0.04693 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 -1.47784
33 14D+1 0.00000 0.00000 -1.21050 0.00000 0.00000
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46 47 48 49 50
(E)--V (E)--V (E)--V (E)--V (A1)--V
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93 2S -1.42911 0.00000 0.00000 0.33520 0.65639
94 3S 12.66998 0.00000 0.00000 1.16163 -1.64044
95 4S 14.09024 0.00000 0.00000 0.92926 -9.42371
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102 7PZ -0.04674 0.00000 0.00000 -0.01377 0.05205
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104 8PY -6.02272 0.00000 0.00000 -0.27452 1.35242
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108 9PZ 3.20064 0.00000 0.00000 0.33810 -0.06927
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111 10D-1 0.03660 0.00000 0.00000 -0.01925 -0.01327
112 10D+2 0.05885 0.00000 0.00000 0.01567 -0.01161
113 10D-2 0.00000 0.01522 -0.00135 0.00000 0.00000
114 11D 0 -0.14827 0.00000 0.00000 0.08497 0.05547
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116 11D-1 -0.51709 0.00000 0.00000 0.07503 0.07013
117 11D+2 -0.67598 0.00000 0.00000 -0.07813 0.09339
118 11D-2 0.00000 -0.07106 0.08403 0.00000 0.00000
119 12D 0 -1.64034 0.00000 0.00000 0.06833 1.21709
120 12D+1 0.00000 0.01228 -0.80877 0.00000 0.00000
121 12D-1 -2.63746 0.00000 0.00000 -0.35642 0.19721
122 12D+2 -3.00107 0.00000 0.00000 0.78762 1.68448
123 12D-2 0.00000 0.31730 1.95132 0.00000 0.00000
124 13F 0 -0.01449 0.00000 0.00000 -0.00159 -0.00216
125 13F+1 0.00000 0.00085 -0.00072 0.00000 0.00000
126 13F-1 0.00049 0.00000 0.00000 -0.00123 0.00247
127 13F+2 -0.01646 0.00000 0.00000 0.00017 0.00762
128 13F-2 0.00000 0.00331 0.00358 0.00000 0.00000
129 13F+3 0.00000 -0.00208 -0.00096 0.00000 0.00000
130 13F-3 0.02194 0.00000 0.00000 0.00089 0.00043
131 14F 0 -0.31644 0.00000 0.00000 0.01159 0.12597
132 14F+1 0.00000 -0.02357 0.03732 0.00000 0.00000
133 14F-1 0.14329 0.00000 0.00000 -0.07309 -0.21098
134 14F+2 -0.48678 0.00000 0.00000 0.02463 0.08205
135 14F-2 0.00000 0.02213 0.16806 0.00000 0.00000
136 14F+3 0.00000 0.02384 0.32660 0.00000 0.00000
137 14F-3 0.44610 0.00000 0.00000 -0.08561 -0.23488
138 15G 0 -0.00119 0.00000 0.00000 -0.00530 -0.00734
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140 15G-1 0.02428 0.00000 0.00000 -0.00347 -0.01399
141 15G+2 0.00106 0.00000 0.00000 -0.00532 -0.00924
142 15G-2 0.00000 0.00336 0.00143 0.00000 0.00000
143 15G+3 0.00000 0.00475 0.01888 0.00000 0.00000
144 15G-3 0.02694 0.00000 0.00000 -0.00540 -0.01213
145 15G+4 0.02120 0.00000 0.00000 -0.00883 -0.01610
146 15G-4 0.00000 -0.00254 -0.02400 0.00000 0.00000
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148 2S 0.71456 -1.23765 0.29029 -0.16760 0.65639
149 3S -6.33499 10.97253 1.00600 -0.58081 -1.64044
150 4S -7.04512 12.20251 0.80477 -0.46463 -9.42371
151 5S -0.02270 0.03933 -0.35823 0.20683 0.02792
152 6PX 0.00442 0.00791 -0.00569 0.00379 0.00893
153 6PY 0.01301 0.00442 0.00379 -0.00132 -0.00516
154 6PZ 0.00576 -0.00997 0.00295 -0.00170 -0.00717
155 7PX -0.12681 0.15436 0.00479 0.03682 -0.17281
156 7PY 0.00793 -0.12681 0.03682 0.04730 0.09977
157 7PZ 0.02337 -0.04048 -0.01193 0.00689 0.05205
158 8PX 2.77454 -4.42084 -0.46762 -0.33446 1.17123
159 8PY -1.21707 2.77454 -0.33446 -0.85381 -0.67621
160 8PZ -1.18107 2.04567 0.26946 -0.15557 -0.03680
161 9PX 3.63128 -6.79200 -0.33118 -1.11907 4.22480
162 9PY -2.59896 3.63128 -1.11907 -1.62338 -2.43919
163 9PZ -1.60032 2.77184 0.29281 -0.16905 -0.06927
164 10D 0 -0.00083 0.00144 -0.01594 0.00920 -0.00470
165 10D+1 -0.01548 0.02766 -0.01712 0.00368 -0.01149
166 10D-1 0.00979 -0.01548 0.00368 -0.01288 0.00663
167 10D+2 0.02612 -0.01889 -0.00737 0.00291 0.00580
168 10D-2 -0.01889 0.04794 0.01141 -0.00737 -0.01005
169 11D 0 0.07413 -0.12840 0.07359 -0.04249 0.05547
170 11D+1 0.21875 -0.39079 0.06115 -0.02404 0.06073
171 11D-1 -0.13820 0.21875 -0.02404 0.03339 -0.03506
172 11D+2 -0.22229 0.26194 0.07022 0.04349 -0.04670
173 11D-2 0.26194 -0.52475 -0.03759 0.07022 0.08088
174 12D 0 0.82017 -1.42058 0.05918 -0.03417 1.21709
175 12D+1 1.14737 -1.97503 -0.46951 -0.19587 0.17079
176 12D-1 -0.65016 1.14737 -0.19587 -0.69568 -0.09860
177 12D+2 -0.51229 1.43689 0.50389 1.66039 -0.84224
178 12D-2 1.43689 -2.17148 1.07855 0.50389 1.45880
179 13F 0 0.00725 -0.01255 -0.00138 0.00079 -0.00216
180 13F+1 0.00016 0.00058 -0.00110 0.00022 0.00214
181 13F-1 0.00076 0.00016 0.00022 -0.00085 -0.00124
182 13F+2 -0.00163 0.00856 0.00148 0.00273 -0.00381
183 13F-2 0.00856 -0.01152 0.00102 0.00148 0.00660
184 13F+3 0.00180 0.00104 0.00048 0.00083 0.00000
185 13F-3 -0.01097 0.01900 0.00077 -0.00044 0.00043
186 14F 0 0.15822 -0.27404 0.01004 -0.00580 0.12597
187 14F+1 -0.07225 0.10158 -0.04549 0.04781 -0.18271
188 14F-1 0.01815 -0.07225 0.04781 0.00972 0.10549
189 14F+2 -0.10510 0.22036 0.06211 0.13220 -0.04102
190 14F-2 0.22036 -0.35955 0.06049 0.06211 0.07106
191 14F+3 -0.02065 -0.01192 -0.16330 -0.28284 0.00000
192 14F-3 -0.22305 0.38634 -0.07414 0.04280 -0.23488
193 15G 0 0.00059 -0.00103 -0.00459 0.00265 -0.00734
194 15G+1 -0.01024 0.01837 -0.00136 0.00365 -0.01211
195 15G-1 0.00654 -0.01024 0.00365 0.00286 0.00699
196 15G+2 0.00279 0.00100 0.00292 -0.00025 0.00462
197 15G-2 0.00100 0.00164 -0.00363 0.00292 -0.00800
198 15G+3 -0.00411 -0.00237 -0.00944 -0.01635 0.00000
199 15G-3 -0.01347 0.02333 -0.00468 0.00270 -0.01213
200 15G+4 0.00720 -0.00808 0.01422 0.01579 0.00805
201 15G-4 0.00808 -0.01653 0.00063 -0.01422 0.01394
202 4 H 1S -0.01590 -0.02753 0.01393 0.00804 -0.03359
203 2S 0.71456 1.23765 -0.29029 -0.16760 0.65639
204 3S -6.33499 -10.97253 -1.00600 -0.58081 -1.64044
205 4S -7.04512 -12.20251 -0.80477 -0.46463 -9.42371
206 5S -0.02270 -0.03933 0.35823 0.20683 0.02792
207 6PX -0.00442 0.00791 -0.00569 -0.00379 -0.00893
208 6PY 0.01301 -0.00442 -0.00379 -0.00132 -0.00516
209 6PZ 0.00576 0.00997 -0.00295 -0.00170 -0.00717
210 7PX 0.12681 0.15436 0.00479 -0.03682 0.17281
211 7PY 0.00793 0.12681 -0.03682 0.04730 0.09977
212 7PZ 0.02337 0.04048 0.01193 0.00689 0.05205
213 8PX -2.77454 -4.42084 -0.46762 0.33446 -1.17123
214 8PY -1.21707 -2.77454 0.33446 -0.85381 -0.67621
215 8PZ -1.18107 -2.04567 -0.26946 -0.15557 -0.03680
216 9PX -3.63128 -6.79200 -0.33118 1.11907 -4.22480
217 9PY -2.59896 -3.63128 1.11907 -1.62338 -2.43919
218 9PZ -1.60032 -2.77184 -0.29281 -0.16905 -0.06927
219 10D 0 -0.00083 -0.00144 0.01594 0.00920 -0.00470
220 10D+1 0.01548 0.02766 -0.01712 -0.00368 0.01149
221 10D-1 0.00979 0.01548 -0.00368 -0.01288 0.00663
222 10D+2 0.02612 0.01889 0.00737 0.00291 0.00580
223 10D-2 0.01889 0.04794 0.01141 0.00737 0.01005
224 11D 0 0.07413 0.12840 -0.07359 -0.04249 0.05547
225 11D+1 -0.21875 -0.39079 0.06115 0.02404 -0.06073
226 11D-1 -0.13820 -0.21875 0.02404 0.03339 -0.03506
227 11D+2 -0.22229 -0.26194 -0.07022 0.04349 -0.04670
228 11D-2 -0.26194 -0.52475 -0.03759 -0.07022 -0.08088
229 12D 0 0.82017 1.42058 -0.05918 -0.03417 1.21709
230 12D+1 -1.14737 -1.97503 -0.46951 0.19587 -0.17079
231 12D-1 -0.65016 -1.14737 0.19587 -0.69568 -0.09860
232 12D+2 -0.51229 -1.43689 -0.50389 1.66039 -0.84224
233 12D-2 -1.43689 -2.17148 1.07855 -0.50389 -1.45880
234 13F 0 0.00725 0.01255 0.00138 0.00079 -0.00216
235 13F+1 -0.00016 0.00058 -0.00110 -0.00022 -0.00214
236 13F-1 0.00076 -0.00016 -0.00022 -0.00085 -0.00124
237 13F+2 -0.00163 -0.00856 -0.00148 0.00273 -0.00381
238 13F-2 -0.00856 -0.01152 0.00102 -0.00148 -0.00660
239 13F+3 -0.00180 0.00104 0.00048 -0.00083 0.00000
240 13F-3 -0.01097 -0.01900 -0.00077 -0.00044 0.00043
241 14F 0 0.15822 0.27404 -0.01004 -0.00580 0.12597
242 14F+1 0.07225 0.10158 -0.04549 -0.04781 0.18271
243 14F-1 0.01815 0.07225 -0.04781 0.00972 0.10549
244 14F+2 -0.10510 -0.22036 -0.06211 0.13220 -0.04102
245 14F-2 -0.22036 -0.35955 0.06049 -0.06211 -0.07106
246 14F+3 0.02065 -0.01192 -0.16330 0.28284 0.00000
247 14F-3 -0.22305 -0.38634 0.07414 0.04280 -0.23488
248 15G 0 0.00059 0.00103 0.00459 0.00265 -0.00734
249 15G+1 0.01024 0.01837 -0.00136 -0.00365 0.01211
250 15G-1 0.00654 0.01024 -0.00365 0.00286 0.00699
251 15G+2 0.00279 -0.00100 -0.00292 -0.00025 0.00462
252 15G-2 -0.00100 0.00164 -0.00363 -0.00292 0.00800
253 15G+3 0.00411 -0.00237 -0.00944 0.01635 0.00000
254 15G-3 -0.01347 -0.02333 0.00468 0.00270 -0.01213
255 15G+4 0.00720 0.00808 -0.01422 0.01579 0.00805
256 15G-4 -0.00808 -0.01653 0.00063 0.01422 -0.01394
51 52 53 54 55
(E)--V (E)--V (A1)--V (A1)--V (E)--V
Eigenvalues -- 2.15382 2.15382 2.19497 2.28077 2.40417
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2 2S 0.00000 0.00000 -0.09689 -0.03082 0.00000
3 3S 0.00000 0.00000 -0.14685 -0.15667 0.00000
4 4S 0.00000 0.00000 -1.97248 -2.22640 0.00000
5 5S 0.00000 0.00000 18.74439 22.81122 0.00000
6 6S 0.00000 0.00000 9.51411 15.63944 0.00000
7 7PX -0.01743 0.00000 0.00000 0.00000 0.00000
8 7PY 0.00000 -0.01743 0.00000 0.00000 -0.05478
9 7PZ 0.00000 0.00000 0.04957 -0.02207 0.00000
10 8PX -0.11070 0.00000 0.00000 0.00000 0.00000
11 8PY 0.00000 -0.11070 0.00000 0.00000 0.21405
12 8PZ 0.00000 0.00000 0.06151 0.31496 0.00000
13 9PX 1.85438 0.00000 0.00000 0.00000 0.00000
14 9PY 0.00000 1.85438 0.00000 0.00000 -4.01125
15 9PZ 0.00000 0.00000 -1.10560 -2.55910 0.00000
16 10PX -2.54484 0.00000 0.00000 0.00000 0.00000
17 10PY 0.00000 -2.54484 0.00000 0.00000 -4.48593
18 10PZ 0.00000 0.00000 0.81430 -5.24106 0.00000
19 11PX -0.55463 0.00000 0.00000 0.00000 0.00000
20 11PY 0.00000 -0.55463 0.00000 0.00000 -1.14178
21 11PZ 0.00000 0.00000 -0.50281 -1.49927 0.00000
22 12D 0 0.00000 0.00000 0.01842 -0.00341 0.00000
23 12D+1 -0.00434 0.00000 0.00000 0.00000 0.00000
24 12D-1 0.00000 -0.00434 0.00000 0.00000 -0.01129
25 12D+2 0.00000 0.00898 0.00000 0.00000 -0.01646
26 12D-2 0.00898 0.00000 0.00000 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.06593 0.09449 0.00000
28 13D+1 -0.09891 0.00000 0.00000 0.00000 0.00000
29 13D-1 0.00000 -0.09891 0.00000 0.00000 -0.01654
30 13D+2 0.00000 0.03948 0.00000 0.00000 0.00015
31 13D-2 0.03948 0.00000 0.00000 0.00000 0.00000
32 14D 0 0.00000 0.00000 -1.23963 -1.11885 0.00000
33 14D+1 -0.03416 0.00000 0.00000 0.00000 0.00000
34 14D-1 0.00000 -0.03416 0.00000 0.00000 1.06959
35 14D+2 0.00000 -1.16975 0.00000 0.00000 1.10728
36 14D-2 -1.16975 0.00000 0.00000 0.00000 0.00000
37 15D 0 0.00000 0.00000 -4.04777 -2.34418 0.00000
38 15D+1 3.51972 0.00000 0.00000 0.00000 0.00000
39 15D-1 0.00000 3.51972 0.00000 0.00000 1.42144
40 15D+2 0.00000 -2.98263 0.00000 0.00000 2.08532
41 15D-2 -2.98263 0.00000 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.00000 -0.02221 0.01010 0.00000
43 16F+1 0.01800 0.00000 0.00000 0.00000 0.00000
44 16F-1 0.00000 0.01800 0.00000 0.00000 0.00460
45 16F+2 0.00000 -0.01318 0.00000 0.00000 -0.00397
46 16F-2 -0.01318 0.00000 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.03389 0.00055 0.00000
49 17F 0 0.00000 0.00000 0.21160 0.04645 0.00000
50 17F+1 -0.11960 0.00000 0.00000 0.00000 0.00000
51 17F-1 0.00000 -0.11960 0.00000 0.00000 -0.02069
52 17F+2 0.00000 0.12532 0.00000 0.00000 -0.10949
53 17F-2 0.12532 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -0.36060 -0.14436 0.00000
56 18F 0 0.00000 0.00000 -0.15089 1.21174 0.00000
57 18F+1 -0.84192 0.00000 0.00000 0.00000 0.00000
58 18F-1 0.00000 -0.84192 0.00000 0.00000 -0.72362
59 18F+2 0.00000 -0.17002 0.00000 0.00000 -1.64930
60 18F-2 -0.17002 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -0.91120 -2.40400 0.00000
63 19G 0 0.00000 0.00000 -0.01842 -0.00969 0.00000
64 19G+1 0.01110 0.00000 0.00000 0.00000 0.00000
65 19G-1 0.00000 0.01110 0.00000 0.00000 -0.00855
66 19G+2 0.00000 -0.01192 0.00000 0.00000 -0.01604
67 19G-2 -0.01192 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.02143 -0.01243 0.00000
70 19G+4 0.00000 0.00677 0.00000 0.00000 -0.01472
71 19G-4 -0.00677 0.00000 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.24416 0.13126 0.00000
73 20G+1 -0.03022 0.00000 0.00000 0.00000 0.00000
74 20G-1 0.00000 -0.03022 0.00000 0.00000 0.04837
75 20G+2 0.00000 0.17064 0.00000 0.00000 0.23753
76 20G-2 0.17064 0.00000 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 -0.04180 0.21442 0.00000
79 20G+4 0.00000 -0.03753 0.00000 0.00000 0.17981
80 20G-4 0.03753 0.00000 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.00000 -0.01476 -0.02194 0.00000
82 21H+1 0.02307 0.00000 0.00000 0.00000 0.00000
83 21H-1 0.00000 0.02307 0.00000 0.00000 0.02360
84 21H+2 0.00000 -0.01088 0.00000 0.00000 -0.01381
85 21H-2 -0.01088 0.00000 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.03737 0.02327 0.00000
88 21H+4 0.00000 0.01675 0.00000 0.00000 -0.03480
89 21H-4 -0.01675 0.00000 0.00000 0.00000 0.00000
90 21H+5 -0.01748 0.00000 0.00000 0.00000 0.00000
91 21H-5 0.00000 0.01748 0.00000 0.00000 -0.00335
92 2 H 1S 0.00000 -0.00480 -0.00341 0.01470 0.00760
93 2S 0.00000 0.35040 0.30514 0.30731 -0.38290
94 3S 0.00000 -0.79729 -3.91286 -6.74051 6.14876
95 4S 0.00000 -0.53900 -5.78905 -6.99657 4.81802
96 5S 0.00000 -0.09300 0.11992 -0.29246 0.02058
97 6PX 0.04146 0.00000 0.00000 0.00000 0.00000
98 6PY 0.00000 -0.01964 0.00301 -0.01201 -0.02836
99 6PZ 0.00000 -0.03248 -0.03526 -0.01784 0.01540
100 7PX -0.23505 0.00000 0.00000 0.00000 0.00000
101 7PY 0.00000 0.04298 -0.09027 0.01922 0.26203
102 7PZ 0.00000 0.21698 0.23694 0.12312 -0.09437
103 8PX 1.45747 0.00000 0.00000 0.00000 0.00000
104 8PY 0.00000 0.01919 1.64221 1.96279 -3.45060
105 8PZ 0.00000 -1.86809 -2.22695 -1.89395 0.46091
106 9PX 2.03710 0.00000 0.00000 0.00000 0.00000
107 9PY 0.00000 0.71565 1.94871 3.41487 -2.20823
108 9PZ 0.00000 -1.90465 -2.62775 -1.39746 1.30446
109 10D 0 0.00000 -0.01237 -0.00627 0.02487 0.04344
110 10D+1 0.02798 0.00000 0.00000 0.00000 0.00000
111 10D-1 0.00000 -0.01801 -0.01411 -0.01685 -0.01406
112 10D+2 0.00000 0.00380 -0.02362 0.00410 0.02516
113 10D-2 0.01413 0.00000 0.00000 0.00000 0.00000
114 11D 0 0.00000 0.03532 0.01755 -0.10939 -0.32421
115 11D+1 -0.10727 0.00000 0.00000 0.00000 0.00000
116 11D-1 0.00000 0.16897 0.19887 0.19756 0.09206
117 11D+2 0.00000 -0.00598 0.18830 0.06313 -0.23648
118 11D-2 -0.09207 0.00000 0.00000 0.00000 0.00000
119 12D 0 0.00000 -0.92125 -0.44485 0.43957 -0.12996
120 12D+1 0.79689 0.00000 0.00000 0.00000 0.00000
121 12D-1 0.00000 1.46579 1.66409 0.97793 -1.21476
122 12D+2 0.00000 0.59551 0.19356 1.10147 -1.52161
123 12D-2 -0.95400 0.00000 0.00000 0.00000 0.00000
124 13F 0 0.00000 0.00207 0.00563 0.00081 0.00143
125 13F+1 0.00639 0.00000 0.00000 0.00000 0.00000
126 13F-1 0.00000 0.00618 0.01073 0.00169 0.01614
127 13F+2 0.00000 0.00262 0.01029 0.01190 0.00329
128 13F-2 -0.01440 0.00000 0.00000 0.00000 0.00000
129 13F+3 -0.00400 0.00000 0.00000 0.00000 0.00000
130 13F-3 0.00000 0.00746 -0.00729 0.00556 0.00217
131 14F 0 0.00000 0.09649 0.11810 0.08207 -0.12578
132 14F+1 -0.04247 0.00000 0.00000 0.00000 0.00000
133 14F-1 0.00000 0.16655 0.12808 0.07369 0.10485
134 14F+2 0.00000 0.19986 0.20206 0.08985 -0.11437
135 14F-2 -0.03710 0.00000 0.00000 0.00000 0.00000
136 14F+3 -0.13967 0.00000 0.00000 0.00000 0.00000
137 14F-3 0.00000 -0.08220 -0.02900 -0.13280 0.22321
138 15G 0 0.00000 0.01258 0.01263 0.00551 -0.00270
139 15G+1 -0.00345 0.00000 0.00000 0.00000 0.00000
140 15G-1 0.00000 -0.00125 -0.00494 -0.00562 0.01142
141 15G+2 0.00000 0.01382 0.01570 0.00388 0.00368
142 15G-2 -0.00332 0.00000 0.00000 0.00000 0.00000
143 15G+3 -0.01139 0.00000 0.00000 0.00000 0.00000
144 15G-3 0.00000 -0.01055 -0.00997 -0.00563 0.00227
145 15G+4 0.00000 -0.00223 0.00044 -0.00713 0.01187
146 15G-4 0.00941 0.00000 0.00000 0.00000 0.00000
147 3 H 1S -0.00416 0.00240 -0.00341 0.01470 -0.00380
148 2S 0.30345 -0.17520 0.30514 0.30731 0.19145
149 3S -0.69047 0.39865 -3.91286 -6.74051 -3.07438
150 4S -0.46679 0.26950 -5.78905 -6.99657 -2.40901
151 5S -0.08054 0.04650 0.11992 -0.29246 -0.01029
152 6PX -0.00437 0.02646 0.00261 -0.01040 0.00679
153 6PY 0.02646 0.02618 -0.00151 0.00601 -0.01659
154 6PZ -0.02813 0.01624 -0.03526 -0.01784 -0.00770
155 7PX -0.02653 -0.12039 -0.07818 0.01664 -0.07662
156 7PY -0.12039 -0.16554 0.04514 -0.00961 0.12932
157 7PZ 0.18791 -0.10849 0.23694 0.12312 0.04718
158 8PX 0.37876 0.62279 1.42220 1.69983 1.02705
159 8PY 0.62279 1.09790 -0.82111 -0.98140 -1.67170
160 8PZ -1.61782 0.93405 -2.22695 -1.89395 -0.23046
161 9PX 1.04601 0.57221 1.68764 2.95736 1.10679
162 9PY 0.57221 1.70674 -0.97436 -1.70743 -0.29121
163 9PZ -1.64947 0.95232 -2.62775 -1.39746 -0.65223
164 10D 0 -0.01071 0.00619 -0.00627 0.02487 -0.02172
165 10D+1 -0.00651 0.01992 -0.01222 -0.01459 0.01145
166 10D-1 0.01992 0.01648 0.00706 0.00842 0.00577
167 10D+2 0.00447 0.01155 0.01181 -0.00205 -0.02894
168 10D-2 0.00639 0.00447 -0.02046 0.00355 -0.03123
169 11D 0 0.03059 -0.01766 0.01755 -0.10939 0.16211
170 11D+1 0.09991 -0.11961 0.17223 0.17109 -0.07982
171 11D-1 -0.11961 -0.03821 -0.09944 -0.09878 -0.04620
172 11D+2 -0.03728 -0.07055 -0.09415 -0.03156 0.17598
173 11D-2 -0.02750 -0.03728 0.16308 0.05467 0.23813
174 12D 0 -0.79782 0.46062 -0.44485 0.43957 0.06498
175 12D+1 1.29857 -0.28964 1.44114 0.84691 0.55996
176 12D-1 -0.28964 0.96412 -0.83204 -0.48897 -0.24489
177 12D+2 -0.67096 -0.56662 -0.09678 -0.55074 -0.68307
178 12D-2 0.20813 -0.67096 0.16763 0.95390 0.48413
179 13F 0 0.00179 -0.00103 0.00563 0.00081 -0.00072
180 13F+1 0.00623 0.00009 0.00929 0.00147 -0.00472
181 13F-1 0.00009 0.00634 -0.00536 -0.00085 0.00796
182 13F+2 -0.00737 -0.01014 -0.00515 -0.00595 0.00661
183 13F-2 -0.00164 -0.00737 0.00891 0.01031 0.00191
184 13F+3 0.00200 0.00347 0.00000 0.00000 -0.00712
185 13F-3 0.00646 -0.00373 -0.00729 0.00556 -0.00109
186 14F 0 0.08356 -0.04825 0.11810 0.08207 0.06289
187 14F+1 0.11429 -0.09051 0.11092 0.06382 -0.04554
188 14F-1 -0.09051 0.00978 -0.06404 -0.03685 0.02598
189 14F+2 -0.10261 0.02214 -0.10103 -0.04492 -0.02468
190 14F-2 0.14062 -0.10261 0.17499 0.07781 0.05178
191 14F+3 0.06983 0.12096 0.00000 0.00000 -0.07385
192 14F-3 -0.07119 0.04110 -0.02900 -0.13280 -0.11160
193 15G 0 0.01090 -0.00629 0.01263 0.00551 0.00135
194 15G+1 -0.00180 -0.00096 -0.00428 -0.00486 -0.00549
195 15G-1 -0.00096 -0.00290 0.00247 0.00281 0.00190
196 15G+2 -0.00742 0.00096 -0.00785 -0.00194 -0.00226
197 15G-2 0.00953 -0.00742 0.01360 0.00336 -0.00343
198 15G+3 0.00570 0.00987 0.00000 0.00000 0.00047
199 15G-3 -0.00913 0.00527 -0.00997 -0.00563 -0.00114
200 15G+4 -0.00311 -0.00762 -0.00022 0.00357 0.00583
201 15G-4 0.00403 0.00311 -0.00038 0.00618 0.00349
202 4 H 1S 0.00416 0.00240 -0.00341 0.01470 -0.00380
203 2S -0.30345 -0.17520 0.30514 0.30731 0.19145
204 3S 0.69047 0.39865 -3.91286 -6.74051 -3.07438
205 4S 0.46679 0.26950 -5.78905 -6.99657 -2.40901
206 5S 0.08054 0.04650 0.11992 -0.29246 -0.01029
207 6PX -0.00437 -0.02646 -0.00261 0.01040 -0.00679
208 6PY -0.02646 0.02618 -0.00151 0.00601 -0.01659
209 6PZ 0.02813 0.01624 -0.03526 -0.01784 -0.00770
210 7PX -0.02653 0.12039 0.07818 -0.01664 0.07662
211 7PY 0.12039 -0.16554 0.04514 -0.00961 0.12932
212 7PZ -0.18791 -0.10849 0.23694 0.12312 0.04718
213 8PX 0.37876 -0.62279 -1.42220 -1.69983 -1.02705
214 8PY -0.62279 1.09790 -0.82111 -0.98140 -1.67170
215 8PZ 1.61782 0.93405 -2.22695 -1.89395 -0.23046
216 9PX 1.04601 -0.57221 -1.68764 -2.95736 -1.10679
217 9PY -0.57221 1.70674 -0.97436 -1.70743 -0.29121
218 9PZ 1.64947 0.95232 -2.62775 -1.39746 -0.65223
219 10D 0 0.01071 0.00619 -0.00627 0.02487 -0.02172
220 10D+1 -0.00651 -0.01992 0.01222 0.01459 -0.01145
221 10D-1 -0.01992 0.01648 0.00706 0.00842 0.00577
222 10D+2 -0.00447 0.01155 0.01181 -0.00205 -0.02894
223 10D-2 0.00639 -0.00447 0.02046 -0.00355 0.03123
224 11D 0 -0.03059 -0.01766 0.01755 -0.10939 0.16211
225 11D+1 0.09991 0.11961 -0.17223 -0.17109 0.07982
226 11D-1 0.11961 -0.03821 -0.09944 -0.09878 -0.04620
227 11D+2 0.03728 -0.07055 -0.09415 -0.03156 0.17598
228 11D-2 -0.02750 0.03728 -0.16308 -0.05467 -0.23813
229 12D 0 0.79782 0.46062 -0.44485 0.43957 0.06498
230 12D+1 1.29857 0.28964 -1.44114 -0.84691 -0.55996
231 12D-1 0.28964 0.96412 -0.83204 -0.48897 -0.24489
232 12D+2 0.67096 -0.56662 -0.09678 -0.55074 -0.68307
233 12D-2 0.20813 0.67096 -0.16763 -0.95390 -0.48413
234 13F 0 -0.00179 -0.00103 0.00563 0.00081 -0.00072
235 13F+1 0.00623 -0.00009 -0.00929 -0.00147 0.00472
236 13F-1 -0.00009 0.00634 -0.00536 -0.00085 0.00796
237 13F+2 0.00737 -0.01014 -0.00515 -0.00595 0.00661
238 13F-2 -0.00164 0.00737 -0.00891 -0.01031 -0.00191
239 13F+3 0.00200 -0.00347 0.00000 0.00000 0.00712
240 13F-3 -0.00646 -0.00373 -0.00729 0.00556 -0.00109
241 14F 0 -0.08356 -0.04825 0.11810 0.08207 0.06289
242 14F+1 0.11429 0.09051 -0.11092 -0.06382 0.04554
243 14F-1 0.09051 0.00978 -0.06404 -0.03685 0.02598
244 14F+2 0.10261 0.02214 -0.10103 -0.04492 -0.02468
245 14F-2 0.14062 0.10261 -0.17499 -0.07781 -0.05178
246 14F+3 0.06983 -0.12096 0.00000 0.00000 0.07385
247 14F-3 0.07119 0.04110 -0.02900 -0.13280 -0.11160
248 15G 0 -0.01090 -0.00629 0.01263 0.00551 0.00135
249 15G+1 -0.00180 0.00096 0.00428 0.00486 0.00549
250 15G-1 0.00096 -0.00290 0.00247 0.00281 0.00190
251 15G+2 0.00742 0.00096 -0.00785 -0.00194 -0.00226
252 15G-2 0.00953 0.00742 -0.01360 -0.00336 0.00343
253 15G+3 0.00570 -0.00987 0.00000 0.00000 -0.00047
254 15G-3 0.00913 0.00527 -0.00997 -0.00563 -0.00114
255 15G+4 0.00311 -0.00762 -0.00022 0.00357 0.00583
256 15G-4 0.00403 -0.00311 0.00038 -0.00618 -0.00349
56 57 58 59 60
(E)--V (A2)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 2.40417 2.57606 2.60340 2.60340 2.69301
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 -0.01609
2 2S 0.00000 0.00000 0.00000 0.00000 0.03449
3 3S 0.00000 0.00000 0.00000 0.00000 -0.00862
4 4S 0.00000 0.00000 0.00000 0.00000 0.13236
5 5S 0.00000 0.00000 0.00000 0.00000 1.40573
6 6S 0.00000 0.00000 0.00000 0.00000 -0.54340
7 7PX -0.05478 0.00000 0.00000 -0.00991 0.00000
8 7PY 0.00000 0.00000 -0.00991 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.05307
10 8PX 0.21405 0.00000 0.00000 -0.29509 0.00000
11 8PY 0.00000 0.00000 -0.29509 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.05189
13 9PX -4.01125 0.00000 0.00000 2.84166 0.00000
14 9PY 0.00000 0.00000 2.84166 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.87527
16 10PX -4.48593 0.00000 0.00000 -1.48580 0.00000
17 10PY 0.00000 0.00000 -1.48580 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.00348
19 11PX -1.14178 0.00000 0.00000 0.07115 0.00000
20 11PY 0.00000 0.00000 0.07115 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 0.43824
22 12D 0 0.00000 0.00000 0.00000 0.00000 0.01044
23 12D+1 -0.01129 0.00000 0.00000 -0.00800 0.00000
24 12D-1 0.00000 0.00000 -0.00800 0.00000 0.00000
25 12D+2 0.00000 0.00000 0.01186 0.00000 0.00000
26 12D-2 -0.01646 0.00000 0.00000 0.01186 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 -0.04950
28 13D+1 -0.01654 0.00000 0.00000 0.01491 0.00000
29 13D-1 0.00000 0.00000 0.01491 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.04290 0.00000 0.00000
31 13D-2 0.00015 0.00000 0.00000 0.04290 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.60689
33 14D+1 1.06959 0.00000 0.00000 -1.03040 0.00000
34 14D-1 0.00000 0.00000 -1.03040 0.00000 0.00000
35 14D+2 0.00000 0.00000 -1.33232 0.00000 0.00000
36 14D-2 1.10728 0.00000 0.00000 -1.33232 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 -1.44683
38 15D+1 1.42144 0.00000 0.00000 1.78385 0.00000
39 15D-1 0.00000 0.00000 1.78385 0.00000 0.00000
40 15D+2 0.00000 0.00000 -1.50839 0.00000 0.00000
41 15D-2 2.08532 0.00000 0.00000 -1.50839 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.05135
43 16F+1 0.00460 0.00000 0.00000 -0.03212 0.00000
44 16F-1 0.00000 0.00000 -0.03212 0.00000 0.00000
45 16F+2 0.00000 0.00000 -0.00168 0.00000 0.00000
46 16F-2 -0.00397 0.00000 0.00000 -0.00168 0.00000
47 16F+3 0.00000 0.01363 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.01377
49 17F 0 0.00000 0.00000 0.00000 0.00000 -0.23117
50 17F+1 -0.02069 0.00000 0.00000 0.11636 0.00000
51 17F-1 0.00000 0.00000 0.11636 0.00000 0.00000
52 17F+2 0.00000 0.00000 0.11752 0.00000 0.00000
53 17F-2 -0.10949 0.00000 0.00000 0.11752 0.00000
54 17F+3 0.00000 -0.05562 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 -0.03202
56 18F 0 0.00000 0.00000 0.00000 0.00000 2.05053
57 18F+1 -0.72362 0.00000 0.00000 -1.22537 0.00000
58 18F-1 0.00000 0.00000 -1.22537 0.00000 0.00000
59 18F+2 0.00000 0.00000 1.67162 0.00000 0.00000
60 18F-2 -1.64930 0.00000 0.00000 1.67162 0.00000
61 18F+3 0.00000 0.96791 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 1.83564
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.01181
64 19G+1 -0.00855 0.00000 0.00000 0.00073 0.00000
65 19G-1 0.00000 0.00000 0.00073 0.00000 0.00000
66 19G+2 0.00000 0.00000 0.01155 0.00000 0.00000
67 19G-2 -0.01604 0.00000 0.00000 0.01155 0.00000
68 19G+3 0.00000 0.01196 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00521
70 19G+4 0.00000 0.00000 0.00509 0.00000 0.00000
71 19G-4 0.01472 0.00000 0.00000 -0.00509 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 -0.21339
73 20G+1 0.04837 0.00000 0.00000 0.07205 0.00000
74 20G-1 0.00000 0.00000 0.07205 0.00000 0.00000
75 20G+2 0.00000 0.00000 -0.07141 0.00000 0.00000
76 20G-2 0.23753 0.00000 0.00000 -0.07141 0.00000
77 20G+3 0.00000 -0.19438 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 -0.04167
79 20G+4 0.00000 0.00000 -0.02537 0.00000 0.00000
80 20G-4 -0.17981 0.00000 0.00000 0.02537 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00641
82 21H+1 0.02360 0.00000 0.00000 0.01397 0.00000
83 21H-1 0.00000 0.00000 0.01397 0.00000 0.00000
84 21H+2 0.00000 0.00000 -0.02229 0.00000 0.00000
85 21H-2 -0.01381 0.00000 0.00000 -0.02229 0.00000
86 21H+3 0.00000 0.02272 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 -0.03559
88 21H+4 0.00000 0.00000 0.01057 0.00000 0.00000
89 21H-4 0.03480 0.00000 0.00000 -0.01057 0.00000
90 21H+5 0.00335 0.00000 0.00000 -0.02245 0.00000
91 21H-5 0.00000 0.00000 0.02245 0.00000 0.00000
92 2 H 1S 0.00000 0.00000 0.02401 0.00000 -0.01346
93 2S 0.00000 0.00000 0.23979 0.00000 -0.01766
94 3S 0.00000 0.00000 -2.56706 0.00000 -0.23507
95 4S 0.00000 0.00000 -2.75204 0.00000 -0.10218
96 5S 0.00000 0.00000 -0.25810 0.00000 0.09091
97 6PX -0.01267 -0.01851 0.00000 0.03867 0.00000
98 6PY 0.00000 0.00000 -0.01385 0.00000 0.02052
99 6PZ 0.00000 0.00000 0.00474 0.00000 -0.00466
100 7PX 0.08509 0.06286 0.00000 -0.23234 0.00000
101 7PY 0.00000 0.00000 0.03970 0.00000 -0.12774
102 7PZ 0.00000 0.00000 0.01566 0.00000 -0.00007
103 8PX -1.07873 0.23564 0.00000 1.69930 0.00000
104 8PY 0.00000 0.00000 1.46510 0.00000 0.63530
105 8PZ 0.00000 0.00000 -1.01514 0.00000 0.49113
106 9PX 0.34779 -1.23681 0.00000 1.42552 0.00000
107 9PY 0.00000 0.00000 2.61943 0.00000 -0.17870
108 9PZ 0.00000 0.00000 -0.47462 0.00000 -0.43164
109 10D 0 0.00000 0.00000 0.03518 0.00000 -0.00514
110 10D+1 0.01238 0.00463 0.00000 -0.02745 0.00000
111 10D-1 0.00000 0.00000 -0.04635 0.00000 0.03144
112 10D+2 0.00000 0.00000 0.00099 0.00000 -0.01814
113 10D-2 -0.04697 0.06660 0.00000 0.02140 0.00000
114 11D 0 0.00000 0.00000 -0.14231 0.00000 0.04576
115 11D+1 -0.09228 -0.00534 0.00000 0.16459 0.00000
116 11D-1 0.00000 0.00000 0.33259 0.00000 -0.22833
117 11D+2 0.00000 0.00000 0.09908 0.00000 0.10224
118 11D-2 0.31347 -0.42692 0.00000 -0.12159 0.00000
119 12D 0 0.00000 0.00000 1.21321 0.00000 0.94618
120 12D+1 0.07840 0.23998 0.00000 -0.66829 0.00000
121 12D-1 0.00000 0.00000 0.24863 0.00000 0.53873
122 12D+2 0.00000 0.00000 1.31208 0.00000 -0.51458
123 12D-2 -0.40356 1.52984 0.00000 -1.22304 0.00000
124 13F 0 0.00000 0.00000 -0.00130 0.00000 -0.00873
125 13F+1 0.00524 -0.00189 0.00000 0.01013 0.00000
126 13F-1 0.00000 0.00000 -0.00181 0.00000 0.00075
127 13F+2 0.00000 0.00000 -0.00222 0.00000 -0.00626
128 13F-2 0.00771 0.00003 0.00000 -0.01071 0.00000
129 13F+3 0.00822 -0.01608 0.00000 0.00545 0.00000
130 13F-3 0.00000 0.00000 0.00069 0.00000 -0.01776
131 14F 0 0.00000 0.00000 0.14751 0.00000 0.07391
132 14F+1 -0.00031 -0.01120 0.00000 -0.11682 0.00000
133 14F-1 0.00000 0.00000 -0.04380 0.00000 -0.19017
134 14F+2 0.00000 0.00000 0.17013 0.00000 -0.01217
135 14F-2 0.00521 -0.00573 0.00000 0.02140 0.00000
136 14F+3 0.08527 0.04754 0.00000 -0.23230 0.00000
137 14F-3 0.00000 0.00000 -0.16617 0.00000 0.13608
138 15G 0 0.00000 0.00000 -0.00142 0.00000 -0.00853
139 15G+1 -0.00127 -0.00119 0.00000 0.00054 0.00000
140 15G-1 0.00000 0.00000 -0.01021 0.00000 -0.00468
141 15G+2 0.00000 0.00000 -0.00654 0.00000 -0.00618
142 15G-2 -0.00424 0.00197 0.00000 0.00517 0.00000
143 15G+3 -0.00054 0.00688 0.00000 -0.00155 0.00000
144 15G-3 0.00000 0.00000 -0.00405 0.00000 -0.00171
145 15G+4 0.00000 0.00000 -0.00820 0.00000 0.00559
146 15G-4 -0.00381 -0.00494 0.00000 0.01301 0.00000
147 3 H 1S 0.00658 0.00000 -0.01200 0.02079 -0.01346
148 2S -0.33160 0.00000 -0.11989 0.20766 -0.01766
149 3S 5.32498 0.00000 1.28353 -2.22314 -0.23507
150 4S 4.17252 0.00000 1.37602 -2.38333 -0.10218
151 5S 0.01783 0.00000 0.12905 -0.22352 0.09091
152 6PX -0.02444 0.00926 0.02274 -0.00072 0.01777
153 6PY 0.00679 0.01603 0.02554 0.02274 -0.01026
154 6PZ 0.01333 0.00000 -0.00237 0.00411 -0.00466
155 7PX 0.21780 -0.03143 -0.11780 -0.02831 -0.11063
156 7PY -0.07662 -0.05444 -0.16433 -0.11780 0.06387
157 7PZ -0.08172 0.00000 -0.00783 0.01356 -0.00007
158 8PX -2.85763 -0.11782 0.10141 1.52365 0.55019
159 8PY 1.02705 -0.20407 1.64075 0.10141 -0.31765
160 8PZ 0.39916 0.00000 0.50757 -0.87914 0.49113
161 9PX -1.56922 0.61840 -0.51697 2.32095 -0.15476
162 9PY 1.10679 1.07111 1.72400 -0.51697 0.08935
163 9PZ 1.12970 0.00000 0.23731 -0.41103 -0.43164
164 10D 0 0.03762 0.00000 -0.01759 0.03047 -0.00514
165 10D+1 -0.00745 -0.00231 0.00818 -0.04162 0.02723
166 10D-1 0.01145 -0.00401 -0.03218 0.00818 -0.01572
167 10D+2 -0.03123 -0.05767 0.01629 0.00883 0.00907
168 10D-2 0.00713 -0.03330 0.00883 0.00609 -0.01571
169 11D 0 -0.28078 0.00000 0.07116 -0.12325 0.04576
170 11D+1 0.04597 0.00267 -0.07275 0.29059 -0.19774
171 11D-1 -0.07982 0.00462 0.20659 -0.07275 0.11416
172 11D+2 0.23813 0.36972 -0.06642 -0.09555 -0.05112
173 11D-2 -0.09899 0.21346 -0.09555 0.04391 0.08854
174 12D 0 -0.11255 0.00000 -0.60661 1.05067 0.94618
175 12D+1 -0.89147 -0.11999 -0.39704 0.01940 0.46655
176 12D-1 0.55996 -0.20783 -0.43906 -0.39704 -0.26936
177 12D+2 0.48413 -1.32488 -0.58926 -1.09774 0.25729
178 12D-2 -1.24210 -0.76492 -1.09774 0.67830 -0.44564
179 13F 0 0.00124 0.00000 0.00065 -0.00112 -0.00873
180 13F+1 0.01341 0.00095 0.00517 0.00118 0.00065
181 13F-1 -0.00472 0.00164 0.00714 0.00517 -0.00038
182 13F+2 0.00191 -0.00003 -0.00859 -0.00368 0.00313
183 13F-2 0.00440 -0.00002 -0.00368 -0.00434 -0.00542
184 13F+3 -0.00411 -0.01608 -0.00472 -0.00273 0.00000
185 13F-3 0.00188 0.00000 -0.00034 0.00060 -0.01776
186 14F 0 -0.10893 0.00000 -0.07375 0.12775 0.07391
187 14F+1 0.07856 0.00560 -0.03162 -0.06205 -0.16469
188 14F-1 -0.04554 0.00970 -0.09857 -0.03162 0.09508
189 14F+2 0.05178 0.00496 0.05858 -0.06440 0.00609
190 14F-2 -0.08448 0.00287 -0.06440 0.13295 -0.01054
191 14F+3 -0.04263 0.04754 0.20118 0.11615 0.00000
192 14F-3 0.19331 0.00000 0.08308 -0.14391 0.13608
193 15G 0 -0.00234 0.00000 0.00071 -0.00123 -0.00853
194 15G+1 0.00825 0.00060 0.00466 -0.00752 -0.00406
195 15G-1 -0.00549 0.00103 -0.00214 0.00466 0.00234
196 15G+2 -0.00343 -0.00171 0.00224 0.00507 0.00309
197 15G-2 0.00170 -0.00099 0.00507 -0.00361 -0.00535
198 15G+3 0.00027 0.00688 0.00134 0.00077 0.00000
199 15G-3 0.00197 0.00000 0.00202 -0.00351 -0.00171
200 15G+4 -0.00349 -0.00428 -0.01181 -0.00208 -0.00279
201 15G-4 -0.00986 0.00247 0.00208 0.00940 -0.00484
202 4 H 1S -0.00658 0.00000 -0.01200 -0.02079 -0.01346
203 2S 0.33160 0.00000 -0.11989 -0.20766 -0.01766
204 3S -5.32498 0.00000 1.28353 2.22314 -0.23507
205 4S -4.17252 0.00000 1.37602 2.38333 -0.10218
206 5S -0.01783 0.00000 0.12905 0.22352 0.09091
207 6PX -0.02444 0.00926 -0.02274 -0.00072 -0.01777
208 6PY -0.00679 -0.01603 0.02554 -0.02274 -0.01026
209 6PZ -0.01333 0.00000 -0.00237 -0.00411 -0.00466
210 7PX 0.21780 -0.03143 0.11780 -0.02831 0.11063
211 7PY 0.07662 0.05444 -0.16433 0.11780 0.06387
212 7PZ 0.08172 0.00000 -0.00783 -0.01356 -0.00007
213 8PX -2.85763 -0.11782 -0.10141 1.52365 -0.55019
214 8PY -1.02705 0.20407 1.64075 -0.10141 -0.31765
215 8PZ -0.39916 0.00000 0.50757 0.87914 0.49113
216 9PX -1.56922 0.61840 0.51697 2.32095 0.15476
217 9PY -1.10679 -1.07111 1.72400 0.51697 0.08935
218 9PZ -1.12970 0.00000 0.23731 0.41103 -0.43164
219 10D 0 -0.03762 0.00000 -0.01759 -0.03047 -0.00514
220 10D+1 -0.00745 -0.00231 -0.00818 -0.04162 -0.02723
221 10D-1 -0.01145 0.00401 -0.03218 -0.00818 -0.01572
222 10D+2 0.03123 0.05767 0.01629 -0.00883 0.00907
223 10D-2 0.00713 -0.03330 -0.00883 0.00609 0.01571
224 11D 0 0.28078 0.00000 0.07116 0.12325 0.04576
225 11D+1 0.04597 0.00267 0.07275 0.29059 0.19774
226 11D-1 0.07982 -0.00462 0.20659 0.07275 0.11416
227 11D+2 -0.23813 -0.36972 -0.06642 0.09555 -0.05112
228 11D-2 -0.09899 0.21346 0.09555 0.04391 -0.08854
229 12D 0 0.11255 0.00000 -0.60661 -1.05067 0.94618
230 12D+1 -0.89147 -0.11999 0.39704 0.01940 -0.46655
231 12D-1 -0.55996 0.20783 -0.43906 0.39704 -0.26936
232 12D+2 -0.48413 1.32488 -0.58926 1.09774 0.25729
233 12D-2 -1.24210 -0.76492 1.09774 0.67830 0.44564
234 13F 0 -0.00124 0.00000 0.00065 0.00112 -0.00873
235 13F+1 0.01341 0.00095 -0.00517 0.00118 -0.00065
236 13F-1 0.00472 -0.00164 0.00714 -0.00517 -0.00038
237 13F+2 -0.00191 0.00003 -0.00859 0.00368 0.00313
238 13F-2 0.00440 -0.00002 0.00368 -0.00434 0.00542
239 13F+3 -0.00411 -0.01608 0.00472 -0.00273 0.00000
240 13F-3 -0.00188 0.00000 -0.00034 -0.00060 -0.01776
241 14F 0 0.10893 0.00000 -0.07375 -0.12775 0.07391
242 14F+1 0.07856 0.00560 0.03162 -0.06205 0.16469
243 14F-1 0.04554 -0.00970 -0.09857 0.03162 0.09508
244 14F+2 -0.05178 -0.00496 0.05858 0.06440 0.00609
245 14F-2 -0.08448 0.00287 0.06440 0.13295 0.01054
246 14F+3 -0.04263 0.04754 -0.20118 0.11615 0.00000
247 14F-3 -0.19331 0.00000 0.08308 0.14391 0.13608
248 15G 0 0.00234 0.00000 0.00071 0.00123 -0.00853
249 15G+1 0.00825 0.00060 -0.00466 -0.00752 0.00406
250 15G-1 0.00549 -0.00103 -0.00214 -0.00466 0.00234
251 15G+2 0.00343 0.00171 0.00224 -0.00507 0.00309
252 15G-2 0.00170 -0.00099 -0.00507 -0.00361 0.00535
253 15G+3 0.00027 0.00688 -0.00134 0.00077 0.00000
254 15G-3 -0.00197 0.00000 0.00202 0.00351 -0.00171
255 15G+4 0.00349 0.00428 -0.01181 0.00208 -0.00279
256 15G-4 -0.00986 0.00247 -0.00208 0.00940 0.00484
61 62 63 64 65
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 2.71546 2.71546 2.77194 2.86596 2.86596
1 1 N 1S 0.00000 0.00000 0.07289 0.00000 0.00000
2 2S 0.00000 0.00000 -0.22026 0.00000 0.00000
3 3S 0.00000 0.00000 -0.13091 0.00000 0.00000
4 4S 0.00000 0.00000 -6.47396 0.00000 0.00000
5 5S 0.00000 0.00000 30.16146 0.00000 0.00000
6 6S 0.00000 0.00000 10.24602 0.00000 0.00000
7 7PX 0.00000 0.09081 0.00000 -0.11559 0.00000
8 7PY 0.09081 0.00000 0.00000 0.00000 -0.11559
9 7PZ 0.00000 0.00000 -0.05271 0.00000 0.00000
10 8PX 0.00000 -0.33486 0.00000 -0.28619 0.00000
11 8PY -0.33486 0.00000 0.00000 0.00000 -0.28619
12 8PZ 0.00000 0.00000 0.64495 0.00000 0.00000
13 9PX 0.00000 1.42485 0.00000 -2.01071 0.00000
14 9PY 1.42485 0.00000 0.00000 0.00000 -2.01071
15 9PZ 0.00000 0.00000 -4.43732 0.00000 0.00000
16 10PX 0.00000 16.61629 0.00000 8.91585 0.00000
17 10PY 16.61629 0.00000 0.00000 0.00000 8.91585
18 10PZ 0.00000 0.00000 -8.12524 0.00000 0.00000
19 11PX 0.00000 0.33358 0.00000 1.63423 0.00000
20 11PY 0.33358 0.00000 0.00000 0.00000 1.63423
21 11PZ 0.00000 0.00000 -0.28485 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.00069 0.00000 0.00000
23 12D+1 0.00000 -0.01537 0.00000 -0.00369 0.00000
24 12D-1 -0.01537 0.00000 0.00000 0.00000 -0.00369
25 12D+2 -0.00966 0.00000 0.00000 0.00000 -0.02322
26 12D-2 0.00000 -0.00966 0.00000 -0.02322 0.00000
27 13D 0 0.00000 0.00000 0.05872 0.00000 0.00000
28 13D+1 0.00000 0.06816 0.00000 0.07174 0.00000
29 13D-1 0.06816 0.00000 0.00000 0.00000 0.07174
30 13D+2 0.07946 0.00000 0.00000 0.00000 0.12737
31 13D-2 0.00000 0.07946 0.00000 0.12737 0.00000
32 14D 0 0.00000 0.00000 -1.70494 0.00000 0.00000
33 14D+1 0.00000 -0.69093 0.00000 -0.44533 0.00000
34 14D-1 -0.69093 0.00000 0.00000 0.00000 -0.44533
35 14D+2 -0.69436 0.00000 0.00000 0.00000 -1.05950
36 14D-2 0.00000 -0.69436 0.00000 -1.05950 0.00000
37 15D 0 0.00000 0.00000 -1.86451 0.00000 0.00000
38 15D+1 0.00000 -2.63132 0.00000 -4.26810 0.00000
39 15D-1 -2.63132 0.00000 0.00000 0.00000 -4.26810
40 15D+2 -3.13932 0.00000 0.00000 0.00000 -4.24229
41 15D-2 0.00000 -3.13932 0.00000 -4.24229 0.00000
42 16F 0 0.00000 0.00000 -0.04457 0.00000 0.00000
43 16F+1 0.00000 0.00946 0.00000 -0.00458 0.00000
44 16F-1 0.00946 0.00000 0.00000 0.00000 -0.00458
45 16F+2 0.01893 0.00000 0.00000 0.00000 -0.01034
46 16F-2 0.00000 0.01893 0.00000 -0.01034 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.07343 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.51486 0.00000 0.00000
50 17F+1 0.00000 -0.08897 0.00000 0.04717 0.00000
51 17F-1 -0.08897 0.00000 0.00000 0.00000 0.04717
52 17F+2 -0.06957 0.00000 0.00000 0.00000 0.11107
53 17F-2 0.00000 -0.06957 0.00000 0.11107 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -0.76457 0.00000 0.00000
56 18F 0 0.00000 0.00000 2.03194 0.00000 0.00000
57 18F+1 0.00000 -2.26361 0.00000 0.90613 0.00000
58 18F-1 -2.26361 0.00000 0.00000 0.00000 0.90613
59 18F+2 0.32120 0.00000 0.00000 0.00000 2.31547
60 18F-2 0.00000 0.32120 0.00000 2.31547 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -1.35168 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00071 0.00000 0.00000
64 19G+1 0.00000 -0.01314 0.00000 0.00220 0.00000
65 19G-1 -0.01314 0.00000 0.00000 0.00000 0.00220
66 19G+2 -0.01358 0.00000 0.00000 0.00000 0.01580
67 19G-2 0.00000 -0.01358 0.00000 0.01580 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.04540 0.00000 0.00000
70 19G+4 -0.01954 0.00000 0.00000 0.00000 0.00906
71 19G-4 0.00000 0.01954 0.00000 -0.00906 0.00000
72 20G 0 0.00000 0.00000 -0.17428 0.00000 0.00000
73 20G+1 0.00000 0.29858 0.00000 0.05626 0.00000
74 20G-1 0.29858 0.00000 0.00000 0.00000 0.05626
75 20G+2 0.23762 0.00000 0.00000 0.00000 -0.24785
76 20G-2 0.00000 0.23762 0.00000 -0.24785 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.39604 0.00000 0.00000
79 20G+4 0.45068 0.00000 0.00000 0.00000 -0.10851
80 20G-4 0.00000 -0.45068 0.00000 0.10851 0.00000
81 21H 0 0.00000 0.00000 -0.02237 0.00000 0.00000
82 21H+1 0.00000 0.01166 0.00000 -0.03703 0.00000
83 21H-1 0.01166 0.00000 0.00000 0.00000 -0.03703
84 21H+2 -0.03073 0.00000 0.00000 0.00000 -0.01316
85 21H-2 0.00000 -0.03073 0.00000 -0.01316 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 -0.02347 0.00000 0.00000
88 21H+4 -0.04669 0.00000 0.00000 0.00000 -0.00098
89 21H-4 0.00000 0.04669 0.00000 0.00098 0.00000
90 21H+5 0.00000 -0.00974 0.00000 -0.02766 0.00000
91 21H-5 0.00974 0.00000 0.00000 0.00000 0.02766
92 2 H 1S 0.01058 0.00000 0.03006 0.00000 0.03081
93 2S -0.05132 0.00000 1.13035 0.00000 0.53937
94 3S -9.13660 0.00000 -11.63688 0.00000 -8.23656
95 4S -6.39485 0.00000 -3.46525 0.00000 -3.07057
96 5S 0.77411 0.00000 -0.38994 0.00000 -0.79373
97 6PX 0.00000 -0.03841 0.00000 0.01343 0.00000
98 6PY -0.04371 0.00000 -0.04623 0.00000 -0.06993
99 6PZ -0.02215 0.00000 0.02636 0.00000 0.04142
100 7PX 0.00000 0.20951 0.00000 -0.10824 0.00000
101 7PY 0.28477 0.00000 0.10932 0.00000 0.35231
102 7PZ 0.12407 0.00000 -0.09155 0.00000 -0.24905
103 8PX 0.00000 -1.84745 0.00000 1.20425 0.00000
104 8PY 0.80739 0.00000 4.11698 0.00000 0.37538
105 8PZ -2.93449 0.00000 -1.32713 0.00000 1.36742
106 9PX 0.00000 -1.29973 0.00000 -0.25266 0.00000
107 9PY 1.48625 0.00000 2.19529 0.00000 0.93134
108 9PZ -2.16129 0.00000 -0.90496 0.00000 -0.37531
109 10D 0 0.00331 0.00000 -0.03001 0.00000 -0.03275
110 10D+1 0.00000 -0.00022 0.00000 0.00210 0.00000
111 10D-1 -0.01509 0.00000 -0.03586 0.00000 0.00816
112 10D+2 0.00304 0.00000 -0.05623 0.00000 -0.02449
113 10D-2 0.00000 0.01323 0.00000 0.03032 0.00000
114 11D 0 -0.01230 0.00000 0.29264 0.00000 0.29097
115 11D+1 0.00000 -0.03953 0.00000 0.00170 0.00000
116 11D-1 0.35684 0.00000 0.47099 0.00000 0.00725
117 11D+2 0.17238 0.00000 0.66359 0.00000 0.29884
118 11D-2 0.00000 0.02926 0.00000 -0.22944 0.00000
119 12D 0 -1.30129 0.00000 0.37387 0.00000 -0.33925
120 12D+1 0.00000 -0.73716 0.00000 0.60017 0.00000
121 12D-1 0.85971 0.00000 0.28385 0.00000 -1.15515
122 12D+2 -1.17420 0.00000 0.14860 0.00000 -0.74783
123 12D-2 0.00000 1.53549 0.00000 -0.17495 0.00000
124 13F 0 0.01868 0.00000 0.02881 0.00000 0.00095
125 13F+1 0.00000 0.00238 0.00000 -0.00753 0.00000
126 13F-1 0.01457 0.00000 -0.00111 0.00000 -0.01108
127 13F+2 0.01739 0.00000 0.02262 0.00000 0.00370
128 13F-2 0.00000 0.00275 0.00000 -0.00684 0.00000
129 13F+3 0.00000 0.02426 0.00000 -0.00973 0.00000
130 13F-3 -0.02241 0.00000 -0.04671 0.00000 -0.00812
131 14F 0 -0.01697 0.00000 0.05876 0.00000 -0.02283
132 14F+1 0.00000 -0.00302 0.00000 0.01053 0.00000
133 14F-1 0.20228 0.00000 -0.13931 0.00000 -0.12247
134 14F+2 0.11720 0.00000 0.18390 0.00000 -0.12936
135 14F-2 0.00000 0.19007 0.00000 -0.05445 0.00000
136 14F+3 0.00000 0.10531 0.00000 -0.14470 0.00000
137 14F-3 0.20164 0.00000 -0.01465 0.00000 -0.00939
138 15G 0 0.00902 0.00000 -0.00110 0.00000 -0.00364
139 15G+1 0.00000 0.00353 0.00000 -0.00183 0.00000
140 15G-1 0.00372 0.00000 -0.01069 0.00000 0.00052
141 15G+2 0.01725 0.00000 -0.00101 0.00000 -0.00764
142 15G-2 0.00000 -0.00200 0.00000 0.00138 0.00000
143 15G+3 0.00000 0.01753 0.00000 -0.00757 0.00000
144 15G-3 -0.00609 0.00000 -0.01226 0.00000 0.01129
145 15G+4 0.00807 0.00000 -0.00332 0.00000 -0.00026
146 15G-4 0.00000 -0.01448 0.00000 0.01206 0.00000
147 3 H 1S -0.00529 0.00916 0.03006 0.02668 -0.01541
148 2S 0.02566 -0.04444 1.13035 0.46711 -0.26969
149 3S 4.56830 -7.91253 -11.63688 -7.13307 4.11828
150 4S 3.19742 -5.53810 -3.46525 -2.65919 1.53528
151 5S -0.38705 0.67039 -0.38994 -0.68739 0.39687
152 6PX 0.00230 -0.04239 -0.04003 -0.04909 0.03610
153 6PY -0.03974 0.00230 0.02311 0.03610 -0.00741
154 6PZ 0.01108 -0.01918 0.02636 0.03587 -0.02071
155 7PX -0.03259 0.26596 0.09467 0.23717 -0.19942
156 7PY 0.22833 -0.03259 -0.05466 -0.19942 0.00689
157 7PZ -0.06204 0.10745 -0.09155 -0.21568 0.12452
158 8PX -1.14958 0.14368 3.56541 0.58260 0.35891
159 8PY -1.18374 -1.14958 -2.05849 0.35891 0.99703
160 8PZ 1.46724 -2.54134 -1.32713 1.18422 -0.68371
161 9PX -1.20637 0.78976 1.90118 0.63534 -0.51269
162 9PY -0.60324 -1.20637 -1.09765 -0.51269 0.04334
163 9PZ 1.08065 -1.87173 -0.90496 -0.32503 0.18766
164 10D 0 -0.00166 0.00287 -0.03001 -0.02837 0.01638
165 10D+1 0.00644 -0.01137 -0.03106 0.00664 -0.00262
166 10D-1 -0.00393 0.00644 0.01793 -0.00262 0.00362
167 10D+2 0.01069 0.00441 0.02811 0.02373 0.01661
168 10D-2 0.00441 0.00559 -0.04869 -0.01079 0.02373
169 11D 0 0.00615 -0.01065 0.29264 0.25199 -0.14549
170 11D+1 -0.17163 0.25775 0.40789 0.00586 -0.00240
171 11D-1 0.05956 -0.17163 -0.23549 -0.00240 0.00309
172 11D+2 0.06504 -0.06197 -0.33179 -0.22876 -0.09737
173 11D-2 -0.06197 0.13660 0.57468 0.16677 -0.22876
174 12D 0 0.65064 -1.12695 0.37387 -0.29380 0.16963
175 12D+1 -0.69147 0.46050 0.24582 -0.71632 0.76007
176 12D-1 -0.33794 -0.69147 -0.14193 0.76007 0.16134
177 12D+2 0.85807 1.17333 -0.07430 0.24806 -0.31817
178 12D-2 1.17333 -0.49678 0.12869 -0.60461 0.24806
179 13F 0 -0.00934 0.01618 0.02881 0.00082 -0.00048
180 13F+1 -0.00528 0.01153 -0.00096 -0.01019 0.00154
181 13F-1 0.00543 -0.00528 0.00055 0.00154 -0.00842
182 13F+2 0.00641 -0.00634 -0.01131 -0.00457 -0.00420
183 13F-2 -0.00634 0.01373 0.01959 0.00107 -0.00457
184 13F+3 -0.02101 -0.01213 0.00000 0.00487 0.00843
185 13F-3 0.01120 -0.01940 -0.04671 -0.00703 0.00406
186 14F 0 0.00848 -0.01470 0.05876 -0.01978 0.01142
187 14F+1 -0.08890 0.15095 -0.12064 -0.08922 0.05759
188 14F-1 0.04830 -0.08890 0.06965 0.05759 -0.02272
189 14F+2 0.17185 0.03156 -0.09195 0.03244 -0.07318
190 14F-2 0.03156 0.13541 0.15926 -0.11063 0.03244
191 14F+3 -0.09120 -0.05265 0.00000 0.07235 0.12531
192 14F-3 -0.10082 0.17462 -0.01465 -0.00813 0.00470
193 15G 0 -0.00451 0.00781 -0.00110 -0.00315 0.00182
194 15G+1 -0.00009 0.00367 -0.00926 -0.00007 -0.00102
195 15G-1 0.00358 -0.00009 0.00535 -0.00102 -0.00124
196 15G+2 0.00281 -0.00834 0.00050 0.00391 -0.00088
197 15G-2 -0.00834 0.01244 -0.00087 -0.00539 0.00391
198 15G+3 -0.01518 -0.00877 0.00000 0.00379 0.00656
199 15G-3 0.00305 -0.00528 -0.01226 0.00978 -0.00565
200 15G+4 0.01288 0.00278 0.00166 -0.00511 -0.00911
201 15G-4 -0.00278 -0.00967 0.00288 0.00321 0.00511
202 4 H 1S -0.00529 -0.00916 0.03006 -0.02668 -0.01541
203 2S 0.02566 0.04444 1.13035 -0.46711 -0.26969
204 3S 4.56830 7.91253 -11.63688 7.13307 4.11828
205 4S 3.19742 5.53810 -3.46525 2.65919 1.53528
206 5S -0.38705 -0.67039 -0.38994 0.68739 0.39687
207 6PX -0.00230 -0.04239 0.04003 -0.04909 -0.03610
208 6PY -0.03974 -0.00230 0.02311 -0.03610 -0.00741
209 6PZ 0.01108 0.01918 0.02636 -0.03587 -0.02071
210 7PX 0.03259 0.26596 -0.09467 0.23717 0.19942
211 7PY 0.22833 0.03259 -0.05466 0.19942 0.00689
212 7PZ -0.06204 -0.10745 -0.09155 0.21568 0.12452
213 8PX 1.14958 0.14368 -3.56541 0.58260 -0.35891
214 8PY -1.18374 1.14958 -2.05849 -0.35891 0.99703
215 8PZ 1.46724 2.54134 -1.32713 -1.18422 -0.68371
216 9PX 1.20637 0.78976 -1.90118 0.63534 0.51269
217 9PY -0.60324 1.20637 -1.09765 0.51269 0.04334
218 9PZ 1.08065 1.87173 -0.90496 0.32503 0.18766
219 10D 0 -0.00166 -0.00287 -0.03001 0.02837 0.01638
220 10D+1 -0.00644 -0.01137 0.03106 0.00664 0.00262
221 10D-1 -0.00393 -0.00644 0.01793 0.00262 0.00362
222 10D+2 0.01069 -0.00441 0.02811 -0.02373 0.01661
223 10D-2 -0.00441 0.00559 0.04869 -0.01079 -0.02373
224 11D 0 0.00615 0.01065 0.29264 -0.25199 -0.14549
225 11D+1 0.17163 0.25775 -0.40789 0.00586 0.00240
226 11D-1 0.05956 0.17163 -0.23549 0.00240 0.00309
227 11D+2 0.06504 0.06197 -0.33179 0.22876 -0.09737
228 11D-2 0.06197 0.13660 -0.57468 0.16677 0.22876
229 12D 0 0.65064 1.12695 0.37387 0.29380 0.16963
230 12D+1 0.69147 0.46050 -0.24582 -0.71632 -0.76007
231 12D-1 -0.33794 0.69147 -0.14193 -0.76007 0.16134
232 12D+2 0.85807 -1.17333 -0.07430 -0.24806 -0.31817
233 12D-2 -1.17333 -0.49678 -0.12869 -0.60461 -0.24806
234 13F 0 -0.00934 -0.01618 0.02881 -0.00082 -0.00048
235 13F+1 0.00528 0.01153 0.00096 -0.01019 -0.00154
236 13F-1 0.00543 0.00528 0.00055 -0.00154 -0.00842
237 13F+2 0.00641 0.00634 -0.01131 0.00457 -0.00420
238 13F-2 0.00634 0.01373 -0.01959 0.00107 0.00457
239 13F+3 0.02101 -0.01213 0.00000 0.00487 -0.00843
240 13F-3 0.01120 0.01940 -0.04671 0.00703 0.00406
241 14F 0 0.00848 0.01470 0.05876 0.01978 0.01142
242 14F+1 0.08890 0.15095 0.12064 -0.08922 -0.05759
243 14F-1 0.04830 0.08890 0.06965 -0.05759 -0.02272
244 14F+2 0.17185 -0.03156 -0.09195 -0.03244 -0.07318
245 14F-2 -0.03156 0.13541 -0.15926 -0.11063 -0.03244
246 14F+3 0.09120 -0.05265 0.00000 0.07235 -0.12531
247 14F-3 -0.10082 -0.17462 -0.01465 0.00813 0.00470
248 15G 0 -0.00451 -0.00781 -0.00110 0.00315 0.00182
249 15G+1 0.00009 0.00367 0.00926 -0.00007 0.00102
250 15G-1 0.00358 0.00009 0.00535 0.00102 -0.00124
251 15G+2 0.00281 0.00834 0.00050 -0.00391 -0.00088
252 15G-2 0.00834 0.01244 0.00087 -0.00539 -0.00391
253 15G+3 0.01518 -0.00877 0.00000 0.00379 -0.00656
254 15G-3 0.00305 0.00528 -0.01226 -0.00978 -0.00565
255 15G+4 0.01288 -0.00278 0.00166 0.00511 -0.00911
256 15G-4 0.00278 -0.00967 -0.00288 0.00321 -0.00511
66 67 68 69 70
(A1)--V (A2)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 2.90054 2.94825 3.33362 3.43457 3.43457
1 1 N 1S 0.01904 0.00000 0.04840 0.00000 0.00000
2 2S -0.03420 0.00000 -0.05322 0.00000 0.00000
3 3S 0.07758 0.00000 0.23548 0.00000 0.00000
4 4S -5.46239 0.00000 -3.74448 0.00000 0.00000
5 5S 34.10340 0.00000 13.41655 0.00000 0.00000
6 6S 20.19601 0.00000 6.14696 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.00000 0.00306
8 7PY 0.00000 0.00000 0.00000 0.00306 0.00000
9 7PZ -0.15737 0.00000 -0.03508 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00000 -0.45207
11 8PY 0.00000 0.00000 0.00000 -0.45207 0.00000
12 8PZ 0.29931 0.00000 0.01275 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 0.00000 3.30359
14 9PY 0.00000 0.00000 0.00000 3.30359 0.00000
15 9PZ -4.76242 0.00000 -1.27544 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 0.00000 0.20590
17 10PY 0.00000 0.00000 0.00000 0.20590 0.00000
18 10PZ -14.07397 0.00000 -3.95575 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.00000 0.41759
20 11PY 0.00000 0.00000 0.00000 0.41759 0.00000
21 11PZ -2.00717 0.00000 -0.54656 0.00000 0.00000
22 12D 0 0.02828 0.00000 -0.02987 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.06411
24 12D-1 0.00000 0.00000 0.00000 0.06411 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.00065 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00065
27 13D 0 -0.05955 0.00000 0.09219 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.00000 -0.17882
29 13D-1 0.00000 0.00000 0.00000 -0.17882 0.00000
30 13D+2 0.00000 0.00000 0.00000 0.05992 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.00000 0.05992
32 14D 0 -0.09271 0.00000 -1.33070 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 0.00000 1.17137
34 14D-1 0.00000 0.00000 0.00000 1.17137 0.00000
35 14D+2 0.00000 0.00000 0.00000 -1.78257 0.00000
36 14D-2 0.00000 0.00000 0.00000 0.00000 -1.78257
37 15D 0 0.48840 0.00000 -0.98308 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 0.00000 1.75256
39 15D-1 0.00000 0.00000 0.00000 1.75256 0.00000
40 15D+2 0.00000 0.00000 0.00000 -0.49586 0.00000
41 15D-2 0.00000 0.00000 0.00000 0.00000 -0.49586
42 16F 0 -0.03854 0.00000 -0.00995 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00658
44 16F-1 0.00000 0.00000 0.00000 0.00658 0.00000
45 16F+2 0.00000 0.00000 0.00000 -0.01673 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.00000 -0.01673
47 16F+3 0.00000 -0.04262 0.00000 0.00000 0.00000
48 16F-3 0.01860 0.00000 0.01925 0.00000 0.00000
49 17F 0 0.35232 0.00000 0.13663 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 0.00000 -0.09869
51 17F-1 0.00000 0.00000 0.00000 -0.09869 0.00000
52 17F+2 0.00000 0.00000 0.00000 0.21580 0.00000
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.21580
54 17F+3 0.00000 0.27106 0.00000 0.00000 0.00000
55 17F-3 -0.31465 0.00000 -0.16934 0.00000 0.00000
56 18F 0 1.30271 0.00000 0.79041 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.00000 -1.36150
58 18F-1 0.00000 0.00000 0.00000 -1.36150 0.00000
59 18F+2 0.00000 0.00000 0.00000 -0.88743 0.00000
60 18F-2 0.00000 0.00000 0.00000 0.00000 -0.88743
61 18F+3 0.00000 5.58700 0.00000 0.00000 0.00000
62 18F-3 -1.36366 0.00000 -1.87059 0.00000 0.00000
63 19G 0 0.00633 0.00000 0.00402 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.01005
65 19G-1 0.00000 0.00000 0.00000 0.01005 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.01370 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00000 -0.01370
68 19G+3 0.00000 0.05631 0.00000 0.00000 0.00000
69 19G-3 0.01255 0.00000 -0.01418 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.00941 0.00000
71 19G-4 0.00000 0.00000 0.00000 0.00000 -0.00941
72 20G 0 -0.23546 0.00000 -0.04665 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.03130
74 20G-1 0.00000 0.00000 0.00000 0.03130 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.27537 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.00000 0.27537
77 20G+3 0.00000 -0.86893 0.00000 0.00000 0.00000
78 20G-3 0.27812 0.00000 0.31128 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.04761 0.00000
80 20G-4 0.00000 0.00000 0.00000 0.00000 -0.04761
81 21H 0 0.00756 0.00000 -0.01282 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.00000 0.00000 0.02730
83 21H-1 0.00000 0.00000 0.00000 0.02730 0.00000
84 21H+2 0.00000 0.00000 0.00000 -0.03000 0.00000
85 21H-2 0.00000 0.00000 0.00000 0.00000 -0.03000
86 21H+3 0.00000 0.03276 0.00000 0.00000 0.00000
87 21H-3 -0.02629 0.00000 -0.02181 0.00000 0.00000
88 21H+4 0.00000 0.00000 0.00000 0.00236 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.00000 -0.00236
90 21H+5 0.00000 0.00000 0.00000 0.00000 -0.03400
91 21H-5 0.00000 0.00000 0.00000 0.03400 0.00000
92 2 H 1S -0.00472 0.00000 0.02138 0.00037 0.00000
93 2S 0.25099 0.00000 -0.54094 1.01630 0.00000
94 3S -9.27757 0.00000 -4.56001 -2.10752 0.00000
95 4S -10.07280 0.00000 -2.46773 -1.52699 0.00000
96 5S 0.02708 0.00000 0.00190 -0.41387 0.00000
97 6PX 0.00000 0.03928 0.00000 0.00000 0.01325
98 6PY 0.03770 0.00000 -0.00660 -0.02879 0.00000
99 6PZ 0.01605 0.00000 -0.00452 -0.01874 0.00000
100 7PX 0.00000 -0.27436 0.00000 0.00000 -0.08477
101 7PY -0.29587 0.00000 0.04709 0.09910 0.00000
102 7PZ -0.06661 0.00000 0.03048 0.16213 0.00000
103 8PX 0.00000 4.02047 0.00000 0.00000 0.47006
104 8PY 4.96917 0.00000 1.89687 0.40207 0.00000
105 8PZ -0.68280 0.00000 -1.15242 -2.63818 0.00000
106 9PX 0.00000 1.48778 0.00000 0.00000 0.31129
107 9PY 4.51983 0.00000 0.64946 1.14369 0.00000
108 9PZ -0.17619 0.00000 -0.13969 -1.73796 0.00000
109 10D 0 -0.01820 0.00000 0.00979 -0.00589 0.00000
110 10D+1 0.00000 -0.01314 0.00000 0.00000 -0.02600
111 10D-1 -0.02765 0.00000 -0.01347 -0.01264 0.00000
112 10D+2 -0.01314 0.00000 -0.02879 -0.01844 0.00000
113 10D-2 0.00000 0.04242 0.00000 0.00000 -0.02265
114 11D 0 0.19384 0.00000 0.01561 0.01131 0.00000
115 11D+1 0.00000 0.13679 0.00000 0.00000 0.14728
116 11D-1 0.28461 0.00000 0.18443 0.24725 0.00000
117 11D+2 0.28337 0.00000 0.28804 0.17201 0.00000
118 11D-2 0.00000 -0.46350 0.00000 0.00000 0.09875
119 12D 0 0.98349 0.00000 -0.13664 -0.75883 0.00000
120 12D+1 0.00000 1.45087 0.00000 0.00000 -0.04013
121 12D-1 -0.17993 0.00000 0.04159 1.86324 0.00000
122 12D+2 1.70661 0.00000 -0.03534 0.14238 0.00000
123 12D-2 0.00000 -2.04954 0.00000 0.00000 -0.43374
124 13F 0 0.01449 0.00000 -0.02071 0.02523 0.00000
125 13F+1 0.00000 -0.00953 0.00000 0.00000 0.02675
126 13F-1 -0.01039 0.00000 -0.01366 0.01127 0.00000
127 13F+2 0.00552 0.00000 0.02666 0.03099 0.00000
128 13F-2 0.00000 0.00168 0.00000 0.00000 0.03453
129 13F+3 0.00000 -0.03760 0.00000 0.00000 -0.03934
130 13F-3 -0.03202 0.00000 0.03667 0.00126 0.00000
131 14F 0 0.02057 0.00000 0.19258 0.00022 0.00000
132 14F+1 0.00000 -0.00899 0.00000 0.00000 -0.13938
133 14F-1 -0.19083 0.00000 0.09504 0.21698 0.00000
134 14F+2 0.10404 0.00000 -0.07834 0.14905 0.00000
135 14F-2 0.00000 -0.32004 0.00000 0.00000 -0.39841
136 14F+3 0.00000 -0.27358 0.00000 0.00000 0.18124
137 14F-3 -0.06885 0.00000 -0.38902 -0.08397 0.00000
138 15G 0 -0.01056 0.00000 0.00350 0.01629 0.00000
139 15G+1 0.00000 -0.00982 0.00000 0.00000 -0.00535
140 15G-1 -0.00587 0.00000 -0.00129 0.00043 0.00000
141 15G+2 -0.01299 0.00000 -0.00091 0.01929 0.00000
142 15G-2 0.00000 0.00791 0.00000 0.00000 -0.00649
143 15G+3 0.00000 -0.01239 0.00000 0.00000 -0.01694
144 15G-3 -0.00585 0.00000 0.00015 -0.01939 0.00000
145 15G+4 -0.00782 0.00000 -0.00768 -0.00226 0.00000
146 15G-4 0.00000 0.02522 0.00000 0.00000 0.00527
147 3 H 1S -0.00472 0.00000 0.02138 -0.00018 0.00032
148 2S 0.25099 0.00000 -0.54094 -0.50815 0.88014
149 3S -9.27757 0.00000 -4.56001 1.05376 -1.82516
150 4S -10.07280 0.00000 -2.46773 0.76350 -1.32242
151 5S 0.02708 0.00000 0.00190 0.20694 -0.35843
152 6PX 0.03265 -0.01964 -0.00572 0.01821 -0.01828
153 6PY -0.01885 -0.03402 0.00330 0.00274 0.01821
154 6PZ 0.01605 0.00000 -0.00452 0.00937 -0.01623
155 7PX -0.25623 0.13718 0.04078 -0.07962 0.05314
156 7PY 0.14793 0.23760 -0.02355 -0.03880 -0.07962
157 7PZ -0.06661 0.00000 0.03048 -0.08106 0.14041
158 8PX 4.30342 -2.01024 1.64274 0.02944 0.41907
159 8PY -2.48458 -3.48183 -0.94844 0.45306 0.02944
160 8PZ -0.68280 0.00000 -1.15242 1.31909 -2.28473
161 9PX 3.91429 -0.74389 0.56245 -0.36044 0.93559
162 9PY -2.25991 -1.28845 -0.32473 0.51939 -0.36044
163 9PZ -0.17619 0.00000 -0.13969 0.86898 -1.50511
164 10D 0 -0.01820 0.00000 0.00979 0.00295 -0.00510
165 10D+1 -0.02394 0.00657 -0.01167 -0.00578 -0.01598
166 10D-1 0.01382 0.01138 0.00674 -0.02266 -0.00578
167 10D+2 0.00657 -0.03674 0.01439 -0.02160 -0.00183
168 10D-2 -0.01138 -0.02121 -0.02493 -0.00183 -0.01949
169 11D 0 0.19384 0.00000 0.01561 -0.00566 0.00980
170 11D+1 0.24648 -0.06839 0.15972 -0.04329 0.22226
171 11D-1 -0.14230 -0.11846 -0.09221 0.17227 -0.04329
172 11D+2 -0.14168 0.40140 -0.14402 0.11707 -0.03172
173 11D-2 0.24540 0.23175 0.24945 -0.03172 0.15369
174 12D 0 0.98349 0.00000 -0.13664 0.37942 -0.65717
175 12D+1 -0.15582 -0.72543 0.03602 -0.82418 1.38740
176 12D-1 0.08997 -1.25649 -0.02080 0.43571 -0.82418
177 12D+2 -0.85330 1.77495 0.01767 -0.28971 -0.24946
178 12D-2 1.47796 1.02477 -0.03061 -0.24946 -0.00165
179 13F 0 0.01449 0.00000 -0.02071 -0.01262 0.02185
180 13F+1 -0.00899 0.00476 -0.01183 0.00670 0.01514
181 13F-1 0.00519 0.00825 0.00683 0.02288 0.00670
182 13F+2 -0.00276 -0.00146 -0.01333 0.03365 0.00153
183 13F-2 0.00478 -0.00084 0.02309 0.00153 0.03188
184 13F+3 0.00000 -0.03760 0.00000 0.03407 0.01967
185 13F-3 -0.03202 0.00000 0.03667 -0.00063 0.00109
186 14F 0 0.02057 0.00000 0.19258 -0.00011 0.00019
187 14F+1 -0.16527 0.00449 0.08230 -0.15431 0.12789
188 14F-1 0.09542 0.00778 -0.04752 -0.05029 -0.15431
189 14F+2 -0.05202 0.27716 0.03917 -0.26154 -0.23706
190 14F-2 0.09010 0.16002 -0.06784 -0.23706 0.01219
191 14F+3 0.00000 -0.27358 0.00000 -0.15696 -0.09062
192 14F-3 -0.06885 0.00000 -0.38902 0.04198 -0.07272
193 15G 0 -0.01056 0.00000 0.00350 -0.00815 0.01411
194 15G+1 -0.00508 0.00491 -0.00111 -0.00250 -0.00102
195 15G-1 0.00293 0.00851 0.00064 -0.00391 -0.00250
196 15G+2 0.00650 -0.00685 0.00045 -0.00004 -0.01116
197 15G-2 -0.01125 -0.00395 -0.00078 -0.01116 0.01284
198 15G+3 0.00000 -0.01239 0.00000 0.01467 0.00847
199 15G-3 -0.00585 0.00000 0.00015 0.00970 -0.01679
200 15G+4 0.00391 0.02184 0.00384 -0.00452 -0.00130
201 15G-4 0.00678 -0.01261 0.00665 0.00130 0.00301
202 4 H 1S -0.00472 0.00000 0.02138 -0.00018 -0.00032
203 2S 0.25099 0.00000 -0.54094 -0.50815 -0.88014
204 3S -9.27757 0.00000 -4.56001 1.05376 1.82516
205 4S -10.07280 0.00000 -2.46773 0.76350 1.32242
206 5S 0.02708 0.00000 0.00190 0.20694 0.35843
207 6PX -0.03265 -0.01964 0.00572 -0.01821 -0.01828
208 6PY -0.01885 0.03402 0.00330 0.00274 -0.01821
209 6PZ 0.01605 0.00000 -0.00452 0.00937 0.01623
210 7PX 0.25623 0.13718 -0.04078 0.07962 0.05314
211 7PY 0.14793 -0.23760 -0.02355 -0.03880 0.07962
212 7PZ -0.06661 0.00000 0.03048 -0.08106 -0.14041
213 8PX -4.30342 -2.01024 -1.64274 -0.02944 0.41907
214 8PY -2.48458 3.48183 -0.94844 0.45306 -0.02944
215 8PZ -0.68280 0.00000 -1.15242 1.31909 2.28473
216 9PX -3.91429 -0.74389 -0.56245 0.36044 0.93559
217 9PY -2.25991 1.28845 -0.32473 0.51939 0.36044
218 9PZ -0.17619 0.00000 -0.13969 0.86898 1.50511
219 10D 0 -0.01820 0.00000 0.00979 0.00295 0.00510
220 10D+1 0.02394 0.00657 0.01167 0.00578 -0.01598
221 10D-1 0.01382 -0.01138 0.00674 -0.02266 0.00578
222 10D+2 0.00657 0.03674 0.01439 -0.02160 0.00183
223 10D-2 0.01138 -0.02121 0.02493 0.00183 -0.01949
224 11D 0 0.19384 0.00000 0.01561 -0.00566 -0.00980
225 11D+1 -0.24648 -0.06839 -0.15972 0.04329 0.22226
226 11D-1 -0.14230 0.11846 -0.09221 0.17227 0.04329
227 11D+2 -0.14168 -0.40140 -0.14402 0.11707 0.03172
228 11D-2 -0.24540 0.23175 -0.24945 0.03172 0.15369
229 12D 0 0.98349 0.00000 -0.13664 0.37942 0.65717
230 12D+1 0.15582 -0.72543 -0.03602 0.82418 1.38740
231 12D-1 0.08997 1.25649 -0.02080 0.43571 0.82418
232 12D+2 -0.85330 -1.77495 0.01767 -0.28971 0.24946
233 12D-2 -1.47796 1.02477 0.03061 0.24946 -0.00165
234 13F 0 0.01449 0.00000 -0.02071 -0.01262 -0.02185
235 13F+1 0.00899 0.00476 0.01183 -0.00670 0.01514
236 13F-1 0.00519 -0.00825 0.00683 0.02288 -0.00670
237 13F+2 -0.00276 0.00146 -0.01333 0.03365 -0.00153
238 13F-2 -0.00478 -0.00084 -0.02309 -0.00153 0.03188
239 13F+3 0.00000 -0.03760 0.00000 -0.03407 0.01967
240 13F-3 -0.03202 0.00000 0.03667 -0.00063 -0.00109
241 14F 0 0.02057 0.00000 0.19258 -0.00011 -0.00019
242 14F+1 0.16527 0.00449 -0.08230 0.15431 0.12789
243 14F-1 0.09542 -0.00778 -0.04752 -0.05029 0.15431
244 14F+2 -0.05202 -0.27716 0.03917 -0.26154 0.23706
245 14F-2 -0.09010 0.16002 0.06784 0.23706 0.01219
246 14F+3 0.00000 -0.27358 0.00000 0.15696 -0.09062
247 14F-3 -0.06885 0.00000 -0.38902 0.04198 0.07272
248 15G 0 -0.01056 0.00000 0.00350 -0.00815 -0.01411
249 15G+1 0.00508 0.00491 0.00111 0.00250 -0.00102
250 15G-1 0.00293 -0.00851 0.00064 -0.00391 0.00250
251 15G+2 0.00650 0.00685 0.00045 -0.00004 0.01116
252 15G-2 0.01125 -0.00395 0.00078 0.01116 0.01284
253 15G+3 0.00000 -0.01239 0.00000 -0.01467 0.00847
254 15G-3 -0.00585 0.00000 0.00015 0.00970 0.01679
255 15G+4 0.00391 -0.02184 0.00384 -0.00452 0.00130
256 15G-4 -0.00678 -0.01261 -0.00665 -0.00130 0.00301
71 72 73 74 75
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 3.56972 3.56972 3.64796 3.73081 3.73081
1 1 N 1S 0.00000 0.00000 -0.03978 0.00000 0.00000
2 2S 0.00000 0.00000 0.00424 0.00000 0.00000
3 3S 0.00000 0.00000 -0.21166 0.00000 0.00000
4 4S 0.00000 0.00000 -4.13762 0.00000 0.00000
5 5S 0.00000 0.00000 33.74911 0.00000 0.00000
6 6S 0.00000 0.00000 14.18836 0.00000 0.00000
7 7PX 0.00000 -0.18480 0.00000 0.00000 0.04559
8 7PY -0.18480 0.00000 0.00000 -0.04559 0.00000
9 7PZ 0.00000 0.00000 -0.14256 0.00000 0.00000
10 8PX 0.00000 1.07862 0.00000 0.00000 -0.63478
11 8PY 1.07862 0.00000 0.00000 0.63478 0.00000
12 8PZ 0.00000 0.00000 -0.05978 0.00000 0.00000
13 9PX 0.00000 -13.57972 0.00000 0.00000 5.56450
14 9PY -13.57972 0.00000 0.00000 -5.56450 0.00000
15 9PZ 0.00000 0.00000 -3.51130 0.00000 0.00000
16 10PX 0.00000 -20.38074 0.00000 0.00000 11.93697
17 10PY -20.38074 0.00000 0.00000 -11.93697 0.00000
18 10PZ 0.00000 0.00000 -6.01652 0.00000 0.00000
19 11PX 0.00000 -1.43337 0.00000 0.00000 1.26845
20 11PY -1.43337 0.00000 0.00000 -1.26845 0.00000
21 11PZ 0.00000 0.00000 -1.00187 0.00000 0.00000
22 12D 0 0.00000 0.00000 -0.04995 0.00000 0.00000
23 12D+1 0.00000 0.01011 0.00000 0.00000 -0.03312
24 12D-1 0.01011 0.00000 0.00000 0.03312 0.00000
25 12D+2 0.03202 0.00000 0.00000 -0.03886 0.00000
26 12D-2 0.00000 0.03202 0.00000 0.00000 0.03886
27 13D 0 0.00000 0.00000 0.18933 0.00000 0.00000
28 13D+1 0.00000 -0.19926 0.00000 0.00000 0.19809
29 13D-1 -0.19926 0.00000 0.00000 -0.19809 0.00000
30 13D+2 -0.26046 0.00000 0.00000 0.07107 0.00000
31 13D-2 0.00000 -0.26046 0.00000 0.00000 -0.07107
32 14D 0 0.00000 0.00000 -2.76068 0.00000 0.00000
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256 15G-4 -0.00843 -0.01589 0.00027 -0.02188 0.01311
76 77 78 79 80
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 3.93093 3.93093 4.08230 4.08230 4.24663
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85 21H-2 0.00000 -0.01456 0.00000 -0.00845 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 -0.05088
88 21H+4 0.04775 0.00000 -0.00862 0.00000 0.00000
89 21H-4 0.00000 0.04775 0.00000 0.00862 0.00000
90 21H+5 0.00000 -0.00122 0.00000 -0.02720 0.00000
91 21H-5 -0.00122 0.00000 0.02720 0.00000 0.00000
92 2 H 1S 0.00574 0.00000 -0.00176 0.00000 -0.00886
93 2S -2.24368 0.00000 0.48705 0.00000 0.94811
94 3S 9.44517 0.00000 -3.59397 0.00000 0.82932
95 4S 4.35476 0.00000 -1.46301 0.00000 -2.24371
96 5S 0.34283 0.00000 -0.01341 0.00000 -0.03801
97 6PX 0.00000 -0.03666 0.00000 -0.00249 0.00000
98 6PY 0.03675 0.00000 0.00256 0.00000 -0.00756
99 6PZ -0.01504 0.00000 -0.00051 0.00000 0.01738
100 7PX 0.00000 0.26391 0.00000 0.03466 0.00000
101 7PY -0.05230 0.00000 -0.10463 0.00000 0.03117
102 7PZ 0.01086 0.00000 0.05262 0.00000 -0.13783
103 8PX 0.00000 -2.50385 0.00000 0.62511 0.00000
104 8PY -4.26417 0.00000 2.90208 0.00000 0.36981
105 8PZ 2.47413 0.00000 -1.26155 0.00000 1.65454
106 9PX 0.00000 -1.37734 0.00000 1.23293 0.00000
107 9PY -3.19054 0.00000 1.61105 0.00000 1.56134
108 9PZ 1.44303 0.00000 -0.43059 0.00000 0.92686
109 10D 0 0.01018 0.00000 -0.01579 0.00000 0.01780
110 10D+1 0.00000 0.00266 0.00000 0.01468 0.00000
111 10D-1 0.05413 0.00000 -0.02787 0.00000 0.01600
112 10D+2 0.04414 0.00000 -0.01912 0.00000 -0.00283
113 10D-2 0.00000 -0.01698 0.00000 -0.02067 0.00000
114 11D 0 -0.14126 0.00000 0.13012 0.00000 -0.03580
115 11D+1 0.00000 -0.02898 0.00000 -0.08556 0.00000
116 11D-1 -0.60681 0.00000 0.29623 0.00000 -0.10415
117 11D+2 -0.56250 0.00000 0.24827 0.00000 0.06501
118 11D-2 0.00000 0.12850 0.00000 0.11837 0.00000
119 12D 0 -0.44204 0.00000 0.44313 0.00000 0.94956
120 12D+1 0.00000 -0.43037 0.00000 0.37127 0.00000
121 12D-1 -1.55236 0.00000 0.83611 0.00000 -0.72774
122 12D+2 -1.28607 0.00000 1.25168 0.00000 0.79346
123 12D-2 0.00000 1.62020 0.00000 -0.86741 0.00000
124 13F 0 -0.00453 0.00000 0.07868 0.00000 -0.03182
125 13F+1 0.00000 -0.06462 0.00000 -0.00619 0.00000
126 13F-1 -0.00219 0.00000 0.03663 0.00000 -0.02268
127 13F+2 -0.01545 0.00000 -0.07779 0.00000 0.05234
128 13F-2 0.00000 -0.01113 0.00000 0.00622 0.00000
129 13F+3 0.00000 0.01869 0.00000 0.00031 0.00000
130 13F-3 0.03905 0.00000 -0.02904 0.00000 0.00403
131 14F 0 -0.37779 0.00000 -0.39819 0.00000 0.28416
132 14F+1 0.00000 0.57203 0.00000 0.08218 0.00000
133 14F-1 0.06490 0.00000 -0.27311 0.00000 -0.17527
134 14F+2 -0.49786 0.00000 0.92545 0.00000 -0.44530
135 14F-2 0.00000 0.23256 0.00000 -0.11811 0.00000
136 14F+3 0.00000 0.24366 0.00000 0.00060 0.00000
137 14F-3 0.17571 0.00000 -0.06883 0.00000 -0.24694
138 15G 0 -0.00318 0.00000 0.00513 0.00000 -0.01363
139 15G+1 0.00000 0.00482 0.00000 -0.00434 0.00000
140 15G-1 0.02877 0.00000 -0.00893 0.00000 -0.01260
141 15G+2 -0.00391 0.00000 0.00561 0.00000 -0.01846
142 15G-2 0.00000 -0.01101 0.00000 -0.00795 0.00000
143 15G+3 0.00000 0.01591 0.00000 -0.00791 0.00000
144 15G-3 0.02899 0.00000 -0.01460 0.00000 -0.00430
145 15G+4 0.01465 0.00000 -0.01415 0.00000 -0.01665
146 15G-4 0.00000 -0.02181 0.00000 0.00255 0.00000
147 3 H 1S -0.00287 -0.00497 0.00088 -0.00152 -0.00886
148 2S 1.12184 1.94309 -0.24353 0.42180 0.94811
149 3S -4.72259 -8.17976 1.79699 -3.11247 0.82932
150 4S -2.17738 -3.77134 0.73150 -1.26700 -2.24371
151 5S -0.17142 -0.29690 0.00671 -0.01162 -0.03801
152 6PX -0.00004 -0.03673 -0.00219 0.00130 -0.00655
153 6PY 0.03669 0.00004 -0.00123 -0.00219 0.00378
154 6PZ 0.00752 0.01302 0.00026 -0.00045 0.01738
155 7PX -0.09163 0.10520 0.06031 -0.06981 0.02700
156 7PY -0.21101 0.09163 -0.00017 0.06031 -0.01559
157 7PZ -0.00543 -0.00941 -0.02631 0.04557 -0.13783
158 8PX 2.93064 2.57216 -0.98596 2.33284 0.32026
159 8PY 0.81185 -2.93064 1.19435 -0.98596 -0.18490
160 8PZ -1.23706 -2.14266 0.63078 -1.09254 1.65454
161 9PX 1.97795 2.04857 -0.16373 1.51652 1.35216
162 9PY 0.23537 -1.97795 1.32746 -0.16373 -0.78067
163 9PZ -0.72151 -1.24970 0.21530 -0.37290 0.92686
164 10D 0 -0.00509 -0.00882 0.00789 -0.01367 0.01780
165 10D+1 -0.02459 -0.03993 0.01843 -0.01723 0.01385
166 10D-1 0.01154 0.02459 0.00404 0.01843 -0.00800
167 10D+2 0.02377 0.01176 -0.02028 -0.00067 0.00142
168 10D-2 -0.01176 -0.03735 -0.00067 -0.01950 -0.00245
169 11D 0 0.07063 0.12234 -0.06506 0.11268 -0.03580
170 11D+1 0.27531 0.44786 -0.16532 0.20078 -0.09020
171 11D-1 -0.12996 -0.27531 0.00988 -0.16532 0.05207
172 11D+2 -0.23700 -0.18793 0.15085 -0.05625 -0.03251
173 11D-2 0.18793 0.45400 -0.05625 0.21580 0.05630
174 12D 0 0.22102 0.38282 -0.22157 0.38376 0.94956
175 12D+1 0.85855 1.05667 -0.20128 0.71990 -0.63024
176 12D-1 -0.06531 -0.85855 0.48748 -0.20128 0.36387
177 12D+2 -1.53667 0.14468 -0.33763 -0.91759 -0.39673
178 12D-2 -0.14468 1.36960 -0.91759 0.72191 0.68715
179 13F 0 0.00226 0.00392 -0.03934 0.06814 -0.03182
180 13F+1 0.02893 -0.01451 -0.01854 0.02593 -0.01965
181 13F-1 0.04791 -0.02893 0.00452 -0.01854 0.01134
182 13F+2 0.00448 -0.01151 -0.01478 0.03638 -0.02617
183 13F-2 0.01151 0.00880 0.03638 -0.05679 0.04533
184 13F+3 0.01619 -0.00935 -0.00027 -0.00016 0.00000
185 13F-3 -0.01953 -0.03382 0.01452 -0.02515 0.00403
186 14F 0 0.18889 0.32717 0.19909 -0.34484 0.28416
187 14F+1 -0.27580 0.09434 0.15384 -0.18429 -0.15179
188 14F-1 -0.41280 0.27580 -0.00664 0.15384 0.08764
189 14F+2 -0.29888 -0.11488 0.14278 -0.45188 0.22265
190 14F-2 0.11488 0.43154 -0.45188 0.66456 -0.38564
191 14F+3 0.21102 -0.12183 -0.00052 -0.00030 0.00000
192 14F-3 -0.08786 -0.15217 0.03441 -0.05961 -0.24694
193 15G 0 0.00159 0.00275 -0.00256 0.00444 -0.01363
194 15G+1 -0.01454 -0.02038 0.00199 -0.00778 -0.01091
195 15G-1 0.00358 0.01454 -0.00549 0.00199 0.00630
196 15G+2 0.00728 -0.00646 -0.00456 -0.00587 0.00923
197 15G-2 0.00646 0.00018 -0.00587 0.00222 -0.01599
198 15G+3 0.01378 -0.00795 0.00685 0.00396 0.00000
199 15G-3 -0.01449 -0.02510 0.00730 -0.01265 -0.00430
200 15G+4 -0.01269 0.01579 -0.00545 0.00502 0.00832
201 15G-4 0.01579 0.00554 -0.00502 0.01125 0.01442
202 4 H 1S -0.00287 0.00497 0.00088 0.00152 -0.00886
203 2S 1.12184 -1.94309 -0.24353 -0.42180 0.94811
204 3S -4.72259 8.17976 1.79699 3.11247 0.82932
205 4S -2.17738 3.77134 0.73150 1.26700 -2.24371
206 5S -0.17142 0.29690 0.00671 0.01162 -0.03801
207 6PX 0.00004 -0.03673 0.00219 0.00130 0.00655
208 6PY 0.03669 -0.00004 -0.00123 0.00219 0.00378
209 6PZ 0.00752 -0.01302 0.00026 0.00045 0.01738
210 7PX 0.09163 0.10520 -0.06031 -0.06981 -0.02700
211 7PY -0.21101 -0.09163 -0.00017 -0.06031 -0.01559
212 7PZ -0.00543 0.00941 -0.02631 -0.04557 -0.13783
213 8PX -2.93064 2.57216 0.98596 2.33284 -0.32026
214 8PY 0.81185 2.93064 1.19435 0.98596 -0.18490
215 8PZ -1.23706 2.14266 0.63078 1.09254 1.65454
216 9PX -1.97795 2.04857 0.16373 1.51652 -1.35216
217 9PY 0.23537 1.97795 1.32746 0.16373 -0.78067
218 9PZ -0.72151 1.24970 0.21530 0.37290 0.92686
219 10D 0 -0.00509 0.00882 0.00789 0.01367 0.01780
220 10D+1 0.02459 -0.03993 -0.01843 -0.01723 -0.01385
221 10D-1 0.01154 -0.02459 0.00404 -0.01843 -0.00800
222 10D+2 0.02377 -0.01176 -0.02028 0.00067 0.00142
223 10D-2 0.01176 -0.03735 0.00067 -0.01950 0.00245
224 11D 0 0.07063 -0.12234 -0.06506 -0.11268 -0.03580
225 11D+1 -0.27531 0.44786 0.16532 0.20078 0.09020
226 11D-1 -0.12996 0.27531 0.00988 0.16532 0.05207
227 11D+2 -0.23700 0.18793 0.15085 0.05625 -0.03251
228 11D-2 -0.18793 0.45400 0.05625 0.21580 -0.05630
229 12D 0 0.22102 -0.38282 -0.22157 -0.38376 0.94956
230 12D+1 -0.85855 1.05667 0.20128 0.71990 0.63024
231 12D-1 -0.06531 0.85855 0.48748 0.20128 0.36387
232 12D+2 -1.53667 -0.14468 -0.33763 0.91759 -0.39673
233 12D-2 0.14468 1.36960 0.91759 0.72191 -0.68715
234 13F 0 0.00226 -0.00392 -0.03934 -0.06814 -0.03182
235 13F+1 -0.02893 -0.01451 0.01854 0.02593 0.01965
236 13F-1 0.04791 0.02893 0.00452 0.01854 0.01134
237 13F+2 0.00448 0.01151 -0.01478 -0.03638 -0.02617
238 13F-2 -0.01151 0.00880 -0.03638 -0.05679 -0.04533
239 13F+3 -0.01619 -0.00935 0.00027 -0.00016 0.00000
240 13F-3 -0.01953 0.03382 0.01452 0.02515 0.00403
241 14F 0 0.18889 -0.32717 0.19909 0.34484 0.28416
242 14F+1 0.27580 0.09434 -0.15384 -0.18429 0.15179
243 14F-1 -0.41280 -0.27580 -0.00664 -0.15384 0.08764
244 14F+2 -0.29888 0.11488 0.14278 0.45188 0.22265
245 14F-2 -0.11488 0.43154 0.45188 0.66456 0.38564
246 14F+3 -0.21102 -0.12183 0.00052 -0.00030 0.00000
247 14F-3 -0.08786 0.15217 0.03441 0.05961 -0.24694
248 15G 0 0.00159 -0.00275 -0.00256 -0.00444 -0.01363
249 15G+1 0.01454 -0.02038 -0.00199 -0.00778 0.01091
250 15G-1 0.00358 -0.01454 -0.00549 -0.00199 0.00630
251 15G+2 0.00728 0.00646 -0.00456 0.00587 0.00923
252 15G-2 -0.00646 0.00018 0.00587 0.00222 0.01599
253 15G+3 -0.01378 -0.00795 -0.00685 0.00396 0.00000
254 15G-3 -0.01449 0.02510 0.00730 0.01265 -0.00430
255 15G+4 -0.01269 -0.01579 -0.00545 -0.00502 0.00832
256 15G-4 -0.01579 0.00554 0.00502 0.01125 -0.01442
81 82 83 84 85
(A2)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 4.29768 4.37414 4.37414 4.43331 4.52388
1 1 N 1S 0.00000 0.00000 0.00000 -0.09389 0.00000
2 2S 0.00000 0.00000 0.00000 -0.09130 0.00000
3 3S 0.00000 0.00000 0.00000 -1.55505 0.00000
4 4S 0.00000 0.00000 0.00000 1.64415 0.00000
5 5S 0.00000 0.00000 0.00000 39.50429 0.00000
6 6S 0.00000 0.00000 0.00000 11.84647 0.00000
7 7PX 0.00000 0.00000 0.02490 0.00000 0.00000
8 7PY 0.00000 0.02490 0.00000 0.00000 0.05747
9 7PZ 0.00000 0.00000 0.00000 0.07159 0.00000
10 8PX 0.00000 0.00000 0.71292 0.00000 0.00000
11 8PY 0.00000 0.71292 0.00000 0.00000 0.57070
12 8PZ 0.00000 0.00000 0.00000 0.64062 0.00000
13 9PX 0.00000 0.00000 -8.98427 0.00000 0.00000
14 9PY 0.00000 -8.98427 0.00000 0.00000 -6.57308
15 9PZ 0.00000 0.00000 0.00000 -6.00279 0.00000
16 10PX 0.00000 0.00000 -4.68829 0.00000 0.00000
17 10PY 0.00000 -4.68829 0.00000 0.00000 -3.25703
18 10PZ 0.00000 0.00000 0.00000 -5.05705 0.00000
19 11PX 0.00000 0.00000 -0.40909 0.00000 0.00000
20 11PY 0.00000 -0.40909 0.00000 0.00000 -0.45957
21 11PZ 0.00000 0.00000 0.00000 -0.72442 0.00000
22 12D 0 0.00000 0.00000 0.00000 -0.00717 0.00000
23 12D+1 0.00000 0.00000 -0.04942 0.00000 0.00000
24 12D-1 0.00000 -0.04942 0.00000 0.00000 -0.01855
25 12D+2 0.00000 -0.00930 0.00000 0.00000 -0.00650
26 12D-2 0.00000 0.00000 -0.00930 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.10913 0.00000
28 13D+1 0.00000 0.00000 0.17460 0.00000 0.00000
29 13D-1 0.00000 0.17460 0.00000 0.00000 0.15272
30 13D+2 0.00000 -0.01820 0.00000 0.00000 -0.06065
31 13D-2 0.00000 0.00000 -0.01820 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 -4.00964 0.00000
33 14D+1 0.00000 0.00000 0.97815 0.00000 0.00000
34 14D-1 0.00000 0.97815 0.00000 0.00000 2.32315
35 14D+2 0.00000 4.79485 0.00000 0.00000 4.67902
36 14D-2 0.00000 0.00000 4.79485 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 -2.04784 0.00000
38 15D+1 0.00000 0.00000 -0.61639 0.00000 0.00000
39 15D-1 0.00000 -0.61639 0.00000 0.00000 0.79423
40 15D+2 0.00000 2.73254 0.00000 0.00000 1.65127
41 15D-2 0.00000 0.00000 2.73254 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00264 0.00000
43 16F+1 0.00000 0.00000 -0.01596 0.00000 0.00000
44 16F-1 0.00000 -0.01596 0.00000 0.00000 0.02589
45 16F+2 0.00000 0.04121 0.00000 0.00000 0.03872
46 16F-2 0.00000 0.00000 0.04121 0.00000 0.00000
47 16F+3 -0.01930 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.03995 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.35369 0.00000
50 17F+1 0.00000 0.00000 0.17664 0.00000 0.00000
51 17F-1 0.00000 0.17664 0.00000 0.00000 -0.16588
52 17F+2 0.00000 -0.49356 0.00000 0.00000 -0.56655
53 17F-2 0.00000 0.00000 -0.49356 0.00000 0.00000
54 17F+3 0.19472 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -0.75714 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.77386 0.00000
57 18F+1 0.00000 0.00000 1.46449 0.00000 0.00000
58 18F-1 0.00000 1.46449 0.00000 0.00000 -0.06655
59 18F+2 0.00000 -1.79755 0.00000 0.00000 -1.13556
60 18F-2 0.00000 0.00000 -1.79755 0.00000 0.00000
61 18F+3 1.82599 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 -2.40630 0.00000
63 19G 0 0.00000 0.00000 0.00000 -0.02505 0.00000
64 19G+1 0.00000 0.00000 -0.01818 0.00000 0.00000
65 19G-1 0.00000 -0.01818 0.00000 0.00000 -0.03134
66 19G+2 0.00000 -0.01625 0.00000 0.00000 0.01119
67 19G-2 0.00000 0.00000 -0.01625 0.00000 0.00000
68 19G+3 -0.00787 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.04266 0.00000
70 19G+4 0.00000 -0.01401 0.00000 0.00000 -0.02732
71 19G-4 0.00000 0.00000 0.01401 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.45690 0.00000
73 20G+1 0.00000 0.00000 -0.08369 0.00000 0.00000
74 20G-1 0.00000 -0.08369 0.00000 0.00000 0.05592
75 20G+2 0.00000 0.16362 0.00000 0.00000 -0.07627
76 20G-2 0.00000 0.00000 0.16362 0.00000 0.00000
77 20G+3 -0.09252 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.06523 0.00000
79 20G+4 0.00000 -0.06884 0.00000 0.00000 0.44236
80 20G-4 0.00000 0.00000 0.06884 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 -0.03061 0.00000
82 21H+1 0.00000 0.00000 -0.02386 0.00000 0.00000
83 21H-1 0.00000 -0.02386 0.00000 0.00000 0.01229
84 21H+2 0.00000 0.00108 0.00000 0.00000 0.05884
85 21H-2 0.00000 0.00000 0.00108 0.00000 0.00000
86 21H+3 -0.00074 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.07096 0.00000
88 21H+4 0.00000 -0.02506 0.00000 0.00000 -0.05878
89 21H-4 0.00000 0.00000 0.02506 0.00000 0.00000
90 21H+5 0.00000 0.00000 0.02199 0.00000 0.00000
91 21H-5 0.00000 -0.02199 0.00000 0.00000 -0.02543
92 2 H 1S 0.00000 0.00923 0.00000 -0.03355 0.02512
93 2S 0.00000 -1.31683 0.00000 1.65007 -1.14305
94 3S 0.00000 11.77926 0.00000 -13.09841 10.21471
95 4S 0.00000 5.01360 0.00000 -6.52283 3.97240
96 5S 0.00000 0.18961 0.00000 -0.18291 0.13605
97 6PX 0.00978 0.00000 -0.01493 0.00000 0.00000
98 6PY 0.00000 0.01737 0.00000 0.01518 -0.03002
99 6PZ 0.00000 0.01692 0.00000 0.00294 -0.01696
100 7PX -0.07226 0.00000 0.16376 0.00000 0.00000
101 7PY 0.00000 0.07795 0.00000 -0.29237 0.44719
102 7PZ 0.00000 -0.21851 0.00000 0.13421 0.00671
103 8PX 1.26038 0.00000 -1.58599 0.00000 0.00000
104 8PY 0.00000 -5.75236 0.00000 5.99589 -6.02855
105 8PZ 0.00000 3.92177 0.00000 -3.77028 2.06141
106 9PX 0.55055 0.00000 -0.98305 0.00000 0.00000
107 9PY 0.00000 -3.46469 0.00000 3.95126 -2.82725
108 9PZ 0.00000 2.28602 0.00000 -2.27861 1.12879
109 10D 0 0.00000 -0.00003 0.00000 0.01609 0.05639
110 10D+1 0.02119 0.00000 -0.02022 0.00000 0.00000
111 10D-1 0.00000 0.03936 0.00000 -0.06287 0.08237
112 10D+2 0.00000 0.07646 0.00000 -0.03478 0.01580
113 10D-2 0.00521 0.00000 -0.06907 0.00000 0.00000
114 11D 0 0.00000 -0.12182 0.00000 -0.11170 -0.38746
115 11D+1 -0.12031 0.00000 0.07652 0.00000 0.00000
116 11D-1 0.00000 -0.41341 0.00000 0.57870 -0.66046
117 11D+2 0.00000 -0.70258 0.00000 0.30818 -0.27481
118 11D-2 -0.03612 0.00000 0.40932 0.00000 0.00000
119 12D 0 0.00000 -0.24015 0.00000 0.23164 -0.92684
120 12D+1 0.57500 0.00000 0.23341 0.00000 0.00000
121 12D-1 0.00000 -2.63124 0.00000 2.29193 -1.43055
122 12D+2 0.00000 -1.86882 0.00000 1.96312 -1.90846
123 12D-2 -0.77987 0.00000 1.00617 0.00000 0.00000
124 13F 0 0.00000 0.00975 0.00000 0.01693 0.05077
125 13F+1 -0.07209 0.00000 -0.05697 0.00000 0.00000
126 13F-1 0.00000 0.01483 0.00000 -0.00604 -0.02506
127 13F+2 0.00000 0.01125 0.00000 -0.01003 -0.00280
128 13F-2 -0.02419 0.00000 0.05752 0.00000 0.00000
129 13F+3 0.04394 0.00000 -0.03987 0.00000 0.00000
130 13F-3 0.00000 -0.02706 0.00000 0.00761 0.03309
131 14F 0 0.00000 -0.52780 0.00000 0.30192 -0.87284
132 14F+1 0.57851 0.00000 0.60549 0.00000 0.00000
133 14F-1 0.00000 -0.19840 0.00000 0.36231 0.43281
134 14F+2 0.00000 -0.77266 0.00000 0.83271 -0.48720
135 14F-2 0.06766 0.00000 -0.40775 0.00000 0.00000
136 14F+3 -0.48266 0.00000 0.74549 0.00000 0.00000
137 14F-3 0.00000 0.79280 0.00000 -0.46849 0.20767
138 15G 0 0.00000 -0.01613 0.00000 0.02307 -0.00267
139 15G+1 -0.00582 0.00000 0.00092 0.00000 0.00000
140 15G-1 0.00000 0.02316 0.00000 -0.02495 0.02701
141 15G+2 0.00000 -0.01806 0.00000 0.02243 0.01091
142 15G-2 0.00000 0.00000 -0.01817 0.00000 0.00000
143 15G+3 -0.01601 0.00000 0.00236 0.00000 0.00000
144 15G-3 0.00000 0.02956 0.00000 -0.04039 0.01774
145 15G+4 0.00000 0.02670 0.00000 -0.02029 0.01346
146 15G-4 0.00550 0.00000 -0.02700 0.00000 0.00000
147 3 H 1S 0.00000 -0.00461 0.00799 -0.03355 -0.01256
148 2S 0.00000 0.65841 -1.14040 1.65007 0.57152
149 3S 0.00000 -5.88963 10.20114 -13.09841 -5.10736
150 4S 0.00000 -2.50680 4.34191 -6.52283 -1.98620
151 5S 0.00000 -0.09480 0.16421 -0.18291 -0.06802
152 6PX -0.00489 -0.01398 0.00929 0.01315 0.02362
153 6PY -0.00847 -0.00685 -0.01398 -0.00759 0.01089
154 6PZ 0.00000 -0.00846 0.01466 0.00294 0.00848
155 7PX 0.03613 0.03716 0.09940 -0.25320 -0.22902
156 7PY 0.06258 0.14231 0.03716 0.14618 0.05052
157 7PZ 0.00000 0.10925 -0.18923 0.13421 -0.00335
158 8PX -0.63019 1.80409 -4.71077 5.19260 1.98056
159 8PY -1.09152 -2.62758 1.80409 -2.99795 -2.59811
160 8PZ 0.00000 -1.96088 3.39635 -3.77028 -1.03071
161 9PX -0.27528 1.07458 -2.84428 3.42189 0.86454
162 9PY -0.47679 -1.60346 1.07458 -1.97563 -1.32983
163 9PZ 0.00000 -1.14301 1.97975 -2.27861 -0.56440
164 10D 0 0.00000 0.00002 -0.00003 0.01609 -0.02819
165 10D+1 -0.01059 -0.02580 0.02447 -0.05444 -0.03621
166 10D-1 -0.01835 -0.00533 -0.02580 0.03143 0.01965
167 10D+2 -0.00452 -0.03268 -0.06301 0.01739 -0.02206
168 10D-2 -0.00261 -0.06301 0.04008 -0.03012 -0.02186
169 11D 0 0.00000 0.06091 -0.10550 -0.11170 0.19373
170 11D+1 0.06015 0.21215 -0.29093 0.50117 0.26191
171 11D-1 0.10419 -0.04596 0.21215 -0.28935 -0.20681
172 11D+2 0.03128 0.13135 0.48147 -0.15409 0.19411
173 11D-2 0.01806 0.48147 -0.42461 0.26689 0.27073
174 12D 0 0.00000 0.12008 -0.20798 0.23164 0.46342
175 12D+1 -0.28750 1.24043 -1.91508 1.98487 0.30437
176 12D-1 -0.49796 -0.48275 1.24043 -1.14597 -0.90337
177 12D+2 0.67539 0.28742 1.24491 -0.98156 0.35962
178 12D-2 0.38994 1.24491 -1.15007 1.70011 1.30948
179 13F 0 0.00000 -0.00488 0.00844 0.01693 -0.02539
180 13F+1 0.03605 -0.03109 -0.00312 -0.00523 0.00833
181 13F-1 0.06243 -0.03902 -0.03109 0.00302 -0.01063
182 13F+2 0.02095 0.04595 0.02004 0.00501 -0.03659
183 13F-2 0.01210 0.02004 0.02281 -0.00868 -0.01951
184 13F+3 0.04394 0.03453 0.01994 0.00000 -0.00596
185 13F-3 0.00000 0.01353 -0.02344 0.00761 -0.01655
186 14F 0 0.00000 0.26390 -0.45708 0.30192 0.43642
187 14F+1 -0.28925 0.34809 0.00257 0.31377 -0.18251
188 14F-1 -0.50100 0.40452 0.34809 -0.18115 0.11669
189 14F+2 -0.05860 -0.49898 0.15801 -0.41635 0.54872
190 14F-2 -0.03383 0.15801 -0.68143 0.72115 0.59809
191 14F+3 -0.48266 -0.64561 -0.37274 0.00000 -0.40419
192 14F-3 0.00000 -0.39640 0.68658 -0.46849 -0.10384
193 15G 0 0.00000 0.00806 -0.01397 0.02307 0.00133
194 15G+1 0.00291 -0.00963 0.01760 -0.02161 -0.00780
195 15G-1 0.00504 0.00648 -0.00963 0.01247 0.01350
196 15G+2 0.00000 -0.01814 -0.00004 -0.01122 0.01571
197 15G-2 0.00000 -0.00004 -0.01809 0.01943 0.00277
198 15G+3 -0.01601 -0.00205 -0.00118 0.00000 -0.03297
199 15G-3 0.00000 -0.01478 0.02560 -0.04039 -0.00887
200 15G+4 0.00476 0.02693 0.00013 0.01015 0.02723
201 15G-4 -0.00275 -0.00013 -0.02678 0.01758 -0.00794
202 4 H 1S 0.00000 -0.00461 -0.00799 -0.03355 -0.01256
203 2S 0.00000 0.65841 1.14040 1.65007 0.57152
204 3S 0.00000 -5.88963 -10.20114 -13.09841 -5.10736
205 4S 0.00000 -2.50680 -4.34191 -6.52283 -1.98620
206 5S 0.00000 -0.09480 -0.16421 -0.18291 -0.06802
207 6PX -0.00489 0.01398 0.00929 -0.01315 -0.02362
208 6PY 0.00847 -0.00685 0.01398 -0.00759 0.01089
209 6PZ 0.00000 -0.00846 -0.01466 0.00294 0.00848
210 7PX 0.03613 -0.03716 0.09940 0.25320 0.22902
211 7PY -0.06258 0.14231 -0.03716 0.14618 0.05052
212 7PZ 0.00000 0.10925 0.18923 0.13421 -0.00335
213 8PX -0.63019 -1.80409 -4.71077 -5.19260 -1.98056
214 8PY 1.09152 -2.62758 -1.80409 -2.99795 -2.59811
215 8PZ 0.00000 -1.96088 -3.39635 -3.77028 -1.03071
216 9PX -0.27528 -1.07458 -2.84428 -3.42189 -0.86454
217 9PY 0.47679 -1.60346 -1.07458 -1.97563 -1.32983
218 9PZ 0.00000 -1.14301 -1.97975 -2.27861 -0.56440
219 10D 0 0.00000 0.00002 0.00003 0.01609 -0.02819
220 10D+1 -0.01059 0.02580 0.02447 0.05444 0.03621
221 10D-1 0.01835 -0.00533 0.02580 0.03143 0.01965
222 10D+2 0.00452 -0.03268 0.06301 0.01739 -0.02206
223 10D-2 -0.00261 0.06301 0.04008 0.03012 0.02186
224 11D 0 0.00000 0.06091 0.10550 -0.11170 0.19373
225 11D+1 0.06015 -0.21215 -0.29093 -0.50117 -0.26191
226 11D-1 -0.10419 -0.04596 -0.21215 -0.28935 -0.20681
227 11D+2 -0.03128 0.13135 -0.48147 -0.15409 0.19411
228 11D-2 0.01806 -0.48147 -0.42461 -0.26689 -0.27073
229 12D 0 0.00000 0.12008 0.20798 0.23164 0.46342
230 12D+1 -0.28750 -1.24043 -1.91508 -1.98487 -0.30437
231 12D-1 0.49796 -0.48275 -1.24043 -1.14597 -0.90337
232 12D+2 -0.67539 0.28742 -1.24491 -0.98156 0.35962
233 12D-2 0.38994 -1.24491 -1.15007 -1.70011 -1.30948
234 13F 0 0.00000 -0.00488 -0.00844 0.01693 -0.02539
235 13F+1 0.03605 0.03109 -0.00312 0.00523 -0.00833
236 13F-1 -0.06243 -0.03902 0.03109 0.00302 -0.01063
237 13F+2 -0.02095 0.04595 -0.02004 0.00501 -0.03659
238 13F-2 0.01210 -0.02004 0.02281 0.00868 0.01951
239 13F+3 0.04394 -0.03453 0.01994 0.00000 0.00596
240 13F-3 0.00000 0.01353 0.02344 0.00761 -0.01655
241 14F 0 0.00000 0.26390 0.45708 0.30192 0.43642
242 14F+1 -0.28925 -0.34809 0.00257 -0.31377 0.18251
243 14F-1 0.50100 0.40452 -0.34809 -0.18115 0.11669
244 14F+2 0.05860 -0.49898 -0.15801 -0.41635 0.54872
245 14F-2 -0.03383 -0.15801 -0.68143 -0.72115 -0.59809
246 14F+3 -0.48266 0.64561 -0.37274 0.00000 0.40419
247 14F-3 0.00000 -0.39640 -0.68658 -0.46849 -0.10384
248 15G 0 0.00000 0.00806 0.01397 0.02307 0.00133
249 15G+1 0.00291 0.00963 0.01760 0.02161 0.00780
250 15G-1 -0.00504 0.00648 0.00963 0.01247 0.01350
251 15G+2 0.00000 -0.01814 0.00004 -0.01122 0.01571
252 15G-2 0.00000 0.00004 -0.01809 -0.01943 -0.00277
253 15G+3 -0.01601 0.00205 -0.00118 0.00000 0.03297
254 15G-3 0.00000 -0.01478 -0.02560 -0.04039 -0.00887
255 15G+4 -0.00476 0.02693 -0.00013 0.01015 0.02723
256 15G-4 -0.00275 0.00013 -0.02678 -0.01758 0.00794
86 87 88 89 90
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 4.52388 4.55113 4.64205 4.64205 4.74389
1 1 N 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 0.05747 0.00000 0.00000 0.03818 0.03310
8 7PY 0.00000 0.00000 0.03818 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.57070 0.00000 0.00000 0.17826 0.04406
11 8PY 0.00000 0.00000 0.17826 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX -6.57308 0.00000 0.00000 -2.50877 0.53199
14 9PY 0.00000 0.00000 -2.50877 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX -3.25703 0.00000 0.00000 -1.32779 -1.77486
17 10PY 0.00000 0.00000 -1.32779 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX -0.45957 0.00000 0.00000 0.09972 -0.35272
20 11PY 0.00000 0.00000 0.09972 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 -0.01855 0.00000 0.00000 0.01846 -0.01338
24 12D-1 0.00000 0.00000 0.01846 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.00769 0.00000 0.00000
26 12D-2 -0.00650 0.00000 0.00000 -0.00769 0.02288
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.15272 0.00000 0.00000 -0.16449 0.19373
29 13D-1 0.00000 0.00000 -0.16449 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.06508 0.00000 0.00000
31 13D-2 -0.06065 0.00000 0.00000 0.06508 -0.22473
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 2.32315 0.00000 0.00000 4.03064 -1.53701
34 14D-1 0.00000 0.00000 4.03064 0.00000 0.00000
35 14D+2 0.00000 0.00000 1.45462 0.00000 0.00000
36 14D-2 4.67902 0.00000 0.00000 1.45462 4.09138
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.79423 0.00000 0.00000 1.36766 0.87169
39 15D-1 0.00000 0.00000 1.36766 0.00000 0.00000
40 15D+2 0.00000 0.00000 0.42039 0.00000 0.00000
41 15D-2 1.65127 0.00000 0.00000 0.42039 1.60668
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.02589 0.00000 0.00000 0.07183 -0.02317
44 16F-1 0.00000 0.00000 0.07183 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.06557 0.00000 0.00000
46 16F-2 0.03872 0.00000 0.00000 0.06557 0.02724
47 16F+3 0.00000 -0.10529 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 -0.16588 0.00000 0.00000 -0.46703 0.19460
51 17F-1 0.00000 0.00000 -0.46703 0.00000 0.00000
52 17F+2 0.00000 0.00000 -0.58960 0.00000 0.00000
53 17F-2 -0.56655 0.00000 0.00000 -0.58960 -0.29213
54 17F+3 0.00000 0.72686 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 -0.06655 0.00000 0.00000 -1.67263 -0.17540
58 18F-1 0.00000 0.00000 -1.67263 0.00000 0.00000
59 18F+2 0.00000 0.00000 -1.13171 0.00000 0.00000
60 18F-2 -1.13556 0.00000 0.00000 -1.13171 0.23981
61 18F+3 0.00000 2.16112 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 -0.03134 0.00000 0.00000 -0.00754 0.00626
65 19G-1 0.00000 0.00000 -0.00754 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.00871 0.00000 0.00000
67 19G-2 0.01119 0.00000 0.00000 -0.00871 0.01320
68 19G+3 0.00000 0.01378 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 -0.02391 0.00000 0.00000
71 19G-4 0.02732 0.00000 0.00000 0.02391 0.02191
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.05592 0.00000 0.00000 0.07446 0.01816
74 20G-1 0.00000 0.00000 0.07446 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.67991 0.00000 0.00000
76 20G-2 -0.07627 0.00000 0.00000 0.67991 -0.47087
77 20G+3 0.00000 -0.90375 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.47119 0.00000 0.00000
80 20G-4 -0.44236 0.00000 0.00000 -0.47119 -0.49144
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.01229 0.00000 0.00000 0.07014 -0.04468
83 21H-1 0.00000 0.00000 0.07014 0.00000 0.00000
84 21H+2 0.00000 0.00000 -0.03656 0.00000 0.00000
85 21H-2 0.05884 0.00000 0.00000 -0.03656 0.02666
86 21H+3 0.00000 0.03275 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 -0.01060 0.00000 0.00000
89 21H-4 0.05878 0.00000 0.00000 0.01060 0.05361
90 21H+5 0.02543 0.00000 0.00000 0.00667 0.10183
91 21H-5 0.00000 0.00000 -0.00667 0.00000 0.00000
92 2 H 1S 0.00000 0.00000 0.01097 0.00000 0.00000
93 2S 0.00000 0.00000 -0.60891 0.00000 0.00000
94 3S 0.00000 0.00000 5.87995 0.00000 0.00000
95 4S 0.00000 0.00000 2.57520 0.00000 0.00000
96 5S 0.00000 0.00000 -0.08031 0.00000 0.00000
97 6PX 0.02453 -0.03078 0.00000 0.00525 0.00194
98 6PY 0.00000 0.00000 0.00417 0.00000 0.00000
99 6PZ 0.00000 0.00000 0.04049 0.00000 0.00000
100 7PX -0.08171 0.12627 0.00000 -0.00924 0.11025
101 7PY 0.00000 0.00000 0.16798 0.00000 0.00000
102 7PZ 0.00000 0.00000 -0.21289 0.00000 0.00000
103 8PX -1.45463 1.93209 0.00000 -0.69769 -1.66151
104 8PY 0.00000 0.00000 -4.43416 0.00000 0.00000
105 8PZ 0.00000 0.00000 -1.02350 0.00000 0.00000
106 9PX -0.83068 1.30624 0.00000 -0.61979 -0.58311
107 9PY 0.00000 0.00000 -2.50748 0.00000 0.00000
108 9PZ 0.00000 0.00000 -0.85079 0.00000 0.00000
109 10D 0 0.00000 0.00000 0.02859 0.00000 0.00000
110 10D+1 -0.00126 -0.06905 0.00000 0.02824 -0.05189
111 10D-1 0.00000 0.00000 -0.05340 0.00000 0.00000
112 10D+2 0.00000 0.00000 0.08939 0.00000 0.00000
113 10D-2 -0.03468 0.04564 0.00000 -0.01379 -0.04856
114 11D 0 0.00000 0.00000 -0.35439 0.00000 0.00000
115 11D+1 -0.05560 0.46917 0.00000 -0.19062 0.26576
116 11D-1 0.00000 0.00000 0.34898 0.00000 0.00000
117 11D+2 0.00000 0.00000 -0.74316 0.00000 0.00000
118 11D-2 0.35042 -0.41930 0.00000 0.17160 0.43475
119 12D 0 0.00000 0.00000 -1.99855 0.00000 0.00000
120 12D+1 -0.72764 0.51268 0.00000 -0.29712 -1.58881
121 12D-1 0.00000 0.00000 0.80117 0.00000 0.00000
122 12D+2 0.00000 0.00000 -1.85232 0.00000 0.00000
123 12D-2 1.11565 -1.71309 0.00000 0.56411 1.12680
124 13F 0 0.00000 0.00000 -0.02600 0.00000 0.00000
125 13F+1 -0.00582 0.00530 0.00000 0.02940 0.05053
126 13F-1 0.00000 0.00000 -0.03254 0.00000 0.00000
127 13F+2 0.00000 0.00000 -0.03371 0.00000 0.00000
128 13F-2 -0.04785 0.02884 0.00000 -0.01213 -0.04252
129 13F+3 0.00689 0.03067 0.00000 -0.00327 -0.00037
130 13F-3 0.00000 0.00000 -0.01984 0.00000 0.00000
131 14F 0 0.00000 0.00000 0.13392 0.00000 0.00000
132 14F+1 0.01131 -0.12553 0.00000 -0.21725 -0.50715
133 14F-1 0.00000 0.00000 1.34013 0.00000 0.00000
134 14F+2 0.00000 0.00000 0.44199 0.00000 0.00000
135 14F-2 0.89402 -0.67114 0.00000 0.31041 1.08561
136 14F+3 0.46671 -0.94385 0.00000 0.29742 0.72974
137 14F-3 0.00000 0.00000 0.83780 0.00000 0.00000
138 15G 0 0.00000 0.00000 0.04157 0.00000 0.00000
139 15G+1 0.00900 -0.01226 0.00000 0.00286 0.01550
140 15G-1 0.00000 0.00000 0.02225 0.00000 0.00000
141 15G+2 0.00000 0.00000 0.06103 0.00000 0.00000
142 15G-2 0.01731 0.00945 0.00000 -0.00134 0.02222
143 15G+3 0.03807 -0.03143 0.00000 0.01546 0.06364
144 15G-3 0.00000 0.00000 -0.01169 0.00000 0.00000
145 15G+4 0.00000 0.00000 0.02592 0.00000 0.00000
146 15G-4 -0.03181 0.04688 0.00000 -0.01564 -0.03719
147 3 H 1S 0.02176 0.00000 -0.00548 0.00950 0.00687
148 2S -0.98991 0.00000 0.30445 -0.52733 -0.34772
149 3S 8.84620 0.00000 -2.93997 5.09218 2.88194
150 4S 3.44020 0.00000 -1.28760 2.23019 0.88092
151 5S 0.11782 0.00000 0.04016 -0.06955 0.00774
152 6PX -0.01638 0.01539 0.00047 0.00444 -0.01949
153 6PY 0.02362 0.02666 0.00498 0.00047 0.01237
154 6PZ -0.01468 0.00000 -0.02025 0.03507 -0.01448
155 7PX 0.31496 -0.06313 -0.07674 0.12368 0.21079
156 7PY -0.22902 -0.10935 0.03507 -0.07674 -0.05804
157 7PZ 0.00581 0.00000 0.10645 -0.18437 0.01428
158 8PX -4.88507 -0.96605 1.61794 -3.50004 -1.19220
159 8PY 1.98056 -1.67324 -1.63181 1.61794 -0.27096
160 8PZ 1.78524 0.00000 0.51175 -0.88638 1.18419
161 9PX -2.32811 -0.65312 0.81739 -2.03556 -0.10787
162 9PY 0.86454 -1.13124 -1.09171 0.81739 -0.27438
163 9PZ 0.97756 0.00000 0.42539 -0.73680 0.65306
164 10D 0 0.04883 0.00000 -0.01430 0.02476 -0.04433
165 10D+1 0.06146 0.03453 0.03535 -0.03299 -0.00398
166 10D-1 -0.03621 0.05980 0.00783 0.03535 -0.02766
167 10D+2 -0.02186 -0.03953 0.01200 -0.04468 -0.02995
168 10D-2 0.00318 -0.02282 -0.04468 0.06359 0.00332
169 11D 0 -0.33555 0.00000 0.17720 -0.30691 0.29037
170 11D+1 -0.50924 -0.23459 -0.23365 0.21408 -0.08355
171 11D-1 0.26191 -0.40632 -0.05572 -0.23365 0.20167
172 11D+2 0.27073 0.36312 -0.05709 0.39610 0.24941
173 11D-2 -0.11850 0.20965 0.39610 -0.51447 0.00276
174 12D 0 -0.80267 0.00000 0.99928 -1.73080 0.66414
175 12D+1 -1.25483 -0.25634 -0.47557 0.52659 -1.02543
176 12D-1 0.30437 -0.44399 -0.02255 -0.47557 -0.32527
177 12D+2 1.30948 1.48358 -0.04000 1.04635 0.35422
178 12D-2 -1.15243 0.85654 1.04635 -1.24821 0.51327
179 13F 0 0.04397 0.00000 0.01300 -0.02252 -0.03681
180 13F+1 -0.02025 -0.00265 0.02682 -0.01705 0.05031
181 13F-1 0.00833 -0.00459 0.01392 0.02682 0.00013
182 13F+2 -0.01951 -0.02498 -0.01752 0.00934 -0.00829
183 13F-2 -0.01406 -0.01442 0.00934 -0.02831 -0.02816
184 13F+3 -0.00344 0.03067 0.00283 0.00164 0.00018
185 13F-3 0.02866 0.00000 0.00992 -0.01718 -0.01142
186 14F 0 -0.75590 0.00000 -0.06696 0.11598 0.17908
187 14F+1 0.32743 0.06277 -0.67436 0.95079 -0.81510
188 14F-1 -0.18251 0.10871 0.17210 -0.67436 0.17779
189 14F+2 0.59809 0.58123 0.34330 -0.05698 0.52532
190 14F-2 -0.14189 0.33557 -0.05698 0.40910 0.17573
191 14F+3 -0.23336 -0.94385 -0.25757 -0.14871 -0.36487
192 14F-3 0.17985 0.00000 -0.41890 0.72555 0.01310
193 15G 0 -0.00231 0.00000 -0.02078 0.03600 -0.02136
194 15G+1 0.02251 0.00613 -0.00840 0.01740 -0.00038
195 15G-1 -0.00780 0.01061 0.00771 -0.00840 0.00917
196 15G+2 0.00277 -0.00819 0.01425 -0.02701 0.02275
197 15G-2 0.01251 -0.00473 -0.02701 0.04544 -0.01717
198 15G+3 -0.01903 -0.03143 -0.01339 -0.00773 -0.03182
199 15G-3 0.01537 0.00000 0.00585 -0.01013 0.00871
200 15G+4 0.00794 0.04060 0.01821 -0.00445 0.02276
201 15G-4 -0.01805 -0.02344 0.00445 -0.02335 0.00223
202 4 H 1S -0.02176 0.00000 -0.00548 -0.00950 -0.00687
203 2S 0.98991 0.00000 0.30445 0.52733 0.34772
204 3S -8.84620 0.00000 -2.93997 -5.09218 -2.88194
205 4S -3.44020 0.00000 -1.28760 -2.23019 -0.88092
206 5S -0.11782 0.00000 0.04016 0.06955 -0.00774
207 6PX -0.01638 0.01539 -0.00047 0.00444 -0.01949
208 6PY -0.02362 -0.02666 0.00498 -0.00047 -0.01237
209 6PZ 0.01468 0.00000 -0.02025 -0.03507 0.01448
210 7PX 0.31496 -0.06313 0.07674 0.12368 0.21079
211 7PY 0.22902 0.10935 0.03507 0.07674 0.05804
212 7PZ -0.00581 0.00000 0.10645 0.18437 -0.01428
213 8PX -4.88507 -0.96605 -1.61794 -3.50004 -1.19220
214 8PY -1.98056 1.67324 -1.63181 -1.61794 0.27096
215 8PZ -1.78524 0.00000 0.51175 0.88638 -1.18419
216 9PX -2.32811 -0.65312 -0.81739 -2.03556 -0.10787
217 9PY -0.86454 1.13124 -1.09171 -0.81739 0.27438
218 9PZ -0.97756 0.00000 0.42539 0.73680 -0.65306
219 10D 0 -0.04883 0.00000 -0.01430 -0.02476 0.04433
220 10D+1 0.06146 0.03453 -0.03535 -0.03299 -0.00398
221 10D-1 0.03621 -0.05980 0.00783 -0.03535 0.02766
222 10D+2 0.02186 0.03953 0.01200 0.04468 0.02995
223 10D-2 0.00318 -0.02282 0.04468 0.06359 0.00332
224 11D 0 0.33555 0.00000 0.17720 0.30691 -0.29037
225 11D+1 -0.50924 -0.23459 0.23365 0.21408 -0.08355
226 11D-1 -0.26191 0.40632 -0.05572 0.23365 -0.20167
227 11D+2 -0.27073 -0.36312 -0.05709 -0.39610 -0.24941
228 11D-2 -0.11850 0.20965 -0.39610 -0.51447 0.00276
229 12D 0 0.80267 0.00000 0.99928 1.73080 -0.66414
230 12D+1 -1.25483 -0.25634 0.47557 0.52659 -1.02543
231 12D-1 -0.30437 0.44399 -0.02255 0.47557 0.32527
232 12D+2 -1.30948 -1.48358 -0.04000 -1.04635 -0.35422
233 12D-2 -1.15243 0.85654 -1.04635 -1.24821 0.51327
234 13F 0 -0.04397 0.00000 0.01300 0.02252 0.03681
235 13F+1 -0.02025 -0.00265 -0.02682 -0.01705 0.05031
236 13F-1 -0.00833 0.00459 0.01392 -0.02682 -0.00013
237 13F+2 0.01951 0.02498 -0.01752 -0.00934 0.00829
238 13F-2 -0.01406 -0.01442 -0.00934 -0.02831 -0.02816
239 13F+3 -0.00344 0.03067 -0.00283 0.00164 0.00018
240 13F-3 -0.02866 0.00000 0.00992 0.01718 0.01142
241 14F 0 0.75590 0.00000 -0.06696 -0.11598 -0.17908
242 14F+1 0.32743 0.06277 0.67436 0.95079 -0.81510
243 14F-1 0.18251 -0.10871 0.17210 0.67436 -0.17779
244 14F+2 -0.59809 -0.58123 0.34330 0.05698 -0.52532
245 14F-2 -0.14189 0.33557 0.05698 0.40910 0.17573
246 14F+3 -0.23336 -0.94385 0.25757 -0.14871 -0.36487
247 14F-3 -0.17985 0.00000 -0.41890 -0.72555 -0.01310
248 15G 0 0.00231 0.00000 -0.02078 -0.03600 0.02136
249 15G+1 0.02251 0.00613 0.00840 0.01740 -0.00038
250 15G-1 0.00780 -0.01061 0.00771 0.00840 -0.00917
251 15G+2 -0.00277 0.00819 0.01425 0.02701 -0.02275
252 15G-2 0.01251 -0.00473 0.02701 0.04544 -0.01717
253 15G+3 -0.01903 -0.03143 0.01339 -0.00773 -0.03182
254 15G-3 -0.01537 0.00000 0.00585 0.01013 -0.00871
255 15G+4 -0.00794 -0.04060 0.01821 0.00445 -0.02276
256 15G-4 -0.01805 -0.02344 -0.00445 -0.02335 0.00223
91 92 93 94 95
(E)--V (A1)--V (A1)--V (A1)--V (E)--V
Eigenvalues -- 4.74389 4.80641 4.94321 4.95522 4.98375
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2 2S 0.00000 -0.00864 -0.02465 -0.04035 0.00000
3 3S 0.00000 -0.30700 -0.59068 -0.68742 0.00000
4 4S 0.00000 1.97697 2.30398 2.20176 0.00000
5 5S 0.00000 0.67530 7.93286 9.25924 0.00000
6 6S 0.00000 6.37523 4.85146 5.12369 0.00000
7 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
8 7PY 0.03310 0.00000 0.00000 0.00000 -0.08642
9 7PZ 0.00000 -0.04598 0.00058 0.00221 0.00000
10 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
11 8PY 0.04406 0.00000 0.00000 0.00000 -1.19895
12 8PZ 0.00000 0.21721 0.94437 0.20244 0.00000
13 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
14 9PY 0.53199 0.00000 0.00000 0.00000 10.99901
15 9PZ 0.00000 -2.80265 -6.82824 -2.77750 0.00000
16 10PX 0.00000 0.00000 0.00000 0.00000 0.00000
17 10PY -1.77486 0.00000 0.00000 0.00000 3.29539
18 10PZ 0.00000 -3.89473 -3.91015 -1.35644 0.00000
19 11PX 0.00000 0.00000 0.00000 0.00000 0.00000
20 11PY -0.35272 0.00000 0.00000 0.00000 0.99438
21 11PZ 0.00000 -1.33755 -0.74232 -0.47692 0.00000
22 12D 0 0.00000 0.03250 0.02314 0.00764 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
24 12D-1 -0.01338 0.00000 0.00000 0.00000 0.02261
25 12D+2 0.02288 0.00000 0.00000 0.00000 0.04102
26 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
27 13D 0 0.00000 -0.22341 -0.25354 -0.14411 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.00000 0.00000
29 13D-1 0.19373 0.00000 0.00000 0.00000 -0.20698
30 13D+2 -0.22473 0.00000 0.00000 0.00000 -0.34629
31 13D-2 0.00000 0.00000 0.00000 0.00000 0.00000
32 14D 0 0.00000 2.81113 2.73788 -0.84280 0.00000
33 14D+1 0.00000 0.00000 0.00000 0.00000 0.00000
34 14D-1 -1.53701 0.00000 0.00000 0.00000 -2.72726
35 14D+2 4.09138 0.00000 0.00000 0.00000 -1.03941
36 14D-2 0.00000 0.00000 0.00000 0.00000 0.00000
37 15D 0 0.00000 2.18493 0.58419 -1.50637 0.00000
38 15D+1 0.00000 0.00000 0.00000 0.00000 0.00000
39 15D-1 0.87169 0.00000 0.00000 0.00000 -0.63578
40 15D+2 1.60668 0.00000 0.00000 0.00000 0.54776
41 15D-2 0.00000 0.00000 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.03557 -0.02133 0.03113 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00000 0.00000
44 16F-1 -0.02317 0.00000 0.00000 0.00000 0.01547
45 16F+2 0.02724 0.00000 0.00000 0.00000 0.03540
46 16F-2 0.00000 0.00000 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.00001 -0.08293 0.01767 0.00000
49 17F 0 0.00000 -0.19072 0.31841 -0.10926 0.00000
50 17F+1 0.00000 0.00000 0.00000 0.00000 0.00000
51 17F-1 0.19460 0.00000 0.00000 0.00000 -0.24880
52 17F+2 -0.29213 0.00000 0.00000 0.00000 0.02315
53 17F-2 0.00000 0.00000 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.00723 0.39112 -0.43971 0.00000
56 18F 0 0.00000 -0.77548 0.61083 2.10904 0.00000
57 18F+1 0.00000 0.00000 0.00000 0.00000 0.00000
58 18F-1 -0.17540 0.00000 0.00000 0.00000 0.57957
59 18F+2 0.23981 0.00000 0.00000 0.00000 -0.15509
60 18F-2 0.00000 0.00000 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.09875 0.31971 1.98237 0.00000
63 19G 0 0.00000 -0.01110 0.00942 -0.02664 0.00000
64 19G+1 0.00000 0.00000 0.00000 0.00000 0.00000
65 19G-1 0.00626 0.00000 0.00000 0.00000 0.02087
66 19G+2 0.01320 0.00000 0.00000 0.00000 0.02296
67 19G-2 0.00000 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 -0.00812 0.04954 0.00961 0.00000
70 19G+4 -0.02191 0.00000 0.00000 0.00000 0.03325
71 19G-4 0.00000 0.00000 0.00000 0.00000 0.00000
72 20G 0 0.00000 -0.29148 -0.66760 0.13021 0.00000
73 20G+1 0.00000 0.00000 0.00000 0.00000 0.00000
74 20G-1 0.01816 0.00000 0.00000 0.00000 -0.00729
75 20G+2 -0.47087 0.00000 0.00000 0.00000 -0.15882
76 20G-2 0.00000 0.00000 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.22983 -0.14560 0.05966 0.00000
79 20G+4 0.49144 0.00000 0.00000 0.00000 0.10852
80 20G-4 0.00000 0.00000 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.05570 0.04095 -0.03830 0.00000
82 21H+1 0.00000 0.00000 0.00000 0.00000 0.00000
83 21H-1 -0.04468 0.00000 0.00000 0.00000 -0.01089
84 21H+2 0.02666 0.00000 0.00000 0.00000 0.03609
85 21H-2 0.00000 0.00000 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.06510 -0.05894 -0.01223 0.00000
88 21H+4 -0.05361 0.00000 0.00000 0.00000 -0.00041
89 21H-4 0.00000 0.00000 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00000 0.00000 0.00000 0.00000
91 21H-5 -0.10183 0.00000 0.00000 0.00000 -0.01456
92 2 H 1S 0.00794 -0.00252 -0.01969 -0.01305 -0.03925
93 2S -0.40151 0.12613 0.38903 0.49470 0.77673
94 3S 3.32778 0.44232 -2.26061 -2.74124 -7.45366
95 4S 1.01720 -3.12378 -2.75006 -2.91756 -3.37845
96 5S 0.00894 -0.02558 -0.00614 0.00375 -0.22582
97 6PX 0.00000 0.00000 0.00000 0.00000 0.00000
98 6PY -0.02664 -0.00701 0.01493 0.00664 0.06526
99 6PZ -0.01672 -0.00997 -0.01232 -0.02797 -0.00734
100 7PX 0.00000 0.00000 0.00000 0.00000 0.00000
101 7PY 0.24430 0.03745 -0.23928 -0.14622 -0.73820
102 7PZ 0.01649 0.01411 0.03619 0.22734 0.14395
103 8PX 0.00000 0.00000 0.00000 0.00000 0.00000
104 8PY -1.03577 0.39994 2.05550 1.78572 5.71288
105 8PZ 1.36739 1.05790 0.85957 -0.58182 -2.01465
106 9PX 0.00000 0.00000 0.00000 0.00000 0.00000
107 9PY 0.05055 1.67013 1.78890 1.37091 2.13724
108 9PZ 0.75409 0.83960 0.38882 -0.74091 -1.48442
109 10D 0 -0.05119 -0.09094 0.02976 -0.05736 -0.05952
110 10D+1 0.00000 0.00000 0.00000 0.00000 0.00000
111 10D-1 0.01199 -0.01589 0.00564 -0.00421 -0.01589
112 10D+2 0.02061 0.04733 -0.05796 -0.00390 -0.06126
113 10D-2 0.00000 0.00000 0.00000 0.00000 0.00000
114 11D 0 0.33530 0.58967 -0.15315 0.34500 0.44224
115 11D+1 0.00000 0.00000 0.00000 0.00000 0.00000
116 11D-1 -0.19998 0.03924 -0.14321 0.02102 0.08251
117 11D+2 -0.14124 -0.31434 0.30563 0.07218 0.45931
118 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
119 12D 0 0.76688 0.24880 1.66083 1.09947 0.11135
120 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
121 12D-1 -0.83763 -0.96003 -0.53078 1.00470 2.19918
122 12D+2 0.30876 1.39384 1.26250 0.11202 2.08272
123 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
124 13F 0 -0.04251 0.03432 0.00057 -0.06613 -0.00704
125 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
126 13F-1 0.05023 0.00218 0.04994 0.04386 -0.05809
127 13F+2 -0.02337 -0.00030 -0.01658 0.00501 -0.01749
128 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
129 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
130 13F-3 -0.01318 0.05757 0.01308 -0.04031 0.02749
131 14F 0 0.20678 -0.40336 -0.01441 0.85024 0.41143
132 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
133 14F-1 -0.91775 -0.41669 -1.20059 -0.50574 0.39624
134 14F+2 -0.12756 -0.17043 -0.01762 0.20471 0.73433
135 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
136 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
137 14F-3 0.01513 -0.77708 -0.46570 0.26280 -0.79365
138 15G 0 -0.02466 -0.01616 -0.03390 -0.00151 0.01316
139 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
140 15G-1 -0.00568 0.00322 -0.02096 -0.02300 -0.01916
141 15G+2 -0.03031 -0.02630 -0.04534 0.00653 0.01520
142 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
143 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
144 15G-3 0.01006 -0.00131 -0.00008 -0.01438 -0.03359
145 15G+4 -0.01537 -0.02989 -0.02356 -0.00129 -0.02006
146 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
147 3 H 1S -0.00397 -0.00252 -0.01969 -0.01305 0.01962
148 2S 0.20075 0.12613 0.38903 0.49470 -0.38837
149 3S -1.66389 0.44232 -2.26061 -2.74124 3.72683
150 4S -0.50860 -3.12378 -2.75006 -2.91756 1.68923
151 5S -0.00447 -0.02558 -0.00614 0.00375 0.11291
152 6PX 0.01237 -0.00607 0.01293 0.00575 -0.02117
153 6PY -0.00521 0.00350 -0.00746 -0.00332 0.02859
154 6PZ 0.00836 -0.00997 -0.01232 -0.02797 0.00367
155 7PX -0.05804 0.03244 -0.20723 -0.12663 0.29083
156 7PY 0.14376 -0.01873 0.11964 0.07311 -0.23447
157 7PZ -0.00825 0.01411 0.03619 0.22734 -0.07197
158 8PX -0.27096 0.34636 1.78012 1.54648 -2.90895
159 8PY -1.50507 -0.19997 -1.02775 -0.89286 0.67443
160 8PZ -0.68369 1.05790 0.85957 -0.58182 1.00733
161 9PX -0.27438 1.44638 1.54923 1.18724 -1.49157
162 9PY -0.42469 -0.83507 -0.89445 -0.68545 -0.44624
163 9PZ -0.37704 0.83960 0.38882 -0.74091 0.74221
164 10D 0 0.02559 -0.09094 0.02976 -0.05736 0.02976
165 10D+1 -0.02766 -0.01376 0.00489 -0.00365 -0.02154
166 10D-1 -0.03592 0.00795 -0.00282 0.00211 -0.05321
167 10D+2 -0.03127 -0.02366 0.02898 0.00195 -0.02274
168 10D-2 -0.02995 0.04099 -0.05020 -0.00338 0.02224
169 11D 0 -0.16765 0.58967 -0.15315 0.34500 -0.22112
170 11D+1 0.20167 0.03398 -0.12402 0.01820 0.14042
171 11D-1 0.14932 -0.01962 0.07160 -0.01051 0.32572
172 11D+2 0.29076 0.15717 -0.15282 -0.03609 0.13894
173 11D-2 0.24941 -0.27223 0.26469 0.06251 -0.18496
174 12D 0 -0.38344 0.24880 1.66083 1.09947 -0.05567
175 12D+1 -0.32527 -0.83141 -0.45967 0.87010 -1.22841
176 12D-1 -1.40102 0.48002 0.26539 -0.50235 0.07152
177 12D+2 0.92229 -0.69692 -0.63125 -0.05601 1.73941
178 12D-2 0.35422 1.20710 1.09336 0.09701 -0.19821
179 13F 0 0.02125 0.03432 0.00057 -0.06613 0.00352
180 13F+1 0.00013 0.00189 0.04325 0.03798 0.01436
181 13F-1 0.05045 -0.00109 -0.02497 -0.02193 -0.03322
182 13F+2 -0.03773 0.00015 0.00829 -0.00251 -0.00168
183 13F-2 -0.00829 -0.00026 -0.01436 0.00434 0.00913
184 13F+3 0.00032 0.00000 0.00000 0.00000 0.05220
185 13F-3 0.00659 0.05757 0.01308 -0.04031 -0.01374
186 14F 0 -0.10339 -0.40336 -0.01441 0.85024 -0.20571
187 14F+1 0.17779 -0.36087 -1.03974 -0.43799 -0.06610
188 14F-1 -0.60980 0.20835 0.60030 0.25287 0.28175
189 14F+2 0.78232 0.08522 0.00881 -0.10235 0.36682
190 14F-2 0.52532 -0.14760 -0.01526 0.17728 -0.21218
191 14F+3 -0.63197 0.00000 0.00000 0.00000 -0.80507
192 14F-3 -0.00756 -0.77708 -0.46570 0.26280 0.39682
193 15G 0 0.01233 -0.01616 -0.03390 -0.00151 -0.00658
194 15G+1 0.00917 0.00279 -0.01815 -0.01992 0.01216
195 15G-1 0.01020 -0.00161 0.01048 0.01150 0.00189
196 15G+2 0.00909 0.01315 0.02267 -0.00326 0.00977
197 15G-2 0.02275 -0.02277 -0.03927 0.00565 -0.00313
198 15G+3 -0.05511 0.00000 0.00000 0.00000 -0.02568
199 15G-3 -0.00503 -0.00131 -0.00008 -0.01438 0.01680
200 15G+4 0.02405 0.01495 0.01178 0.00064 0.01970
201 15G-4 -0.02276 0.02589 0.02040 0.00112 -0.02295
202 4 H 1S -0.00397 -0.00252 -0.01969 -0.01305 0.01962
203 2S 0.20075 0.12613 0.38903 0.49470 -0.38837
204 3S -1.66389 0.44232 -2.26061 -2.74124 3.72683
205 4S -0.50860 -3.12378 -2.75006 -2.91756 1.68923
206 5S -0.00447 -0.02558 -0.00614 0.00375 0.11291
207 6PX -0.01237 0.00607 -0.01293 -0.00575 0.02117
208 6PY -0.00521 0.00350 -0.00746 -0.00332 0.02859
209 6PZ 0.00836 -0.00997 -0.01232 -0.02797 0.00367
210 7PX 0.05804 -0.03244 0.20723 0.12663 -0.29083
211 7PY 0.14376 -0.01873 0.11964 0.07311 -0.23447
212 7PZ -0.00825 0.01411 0.03619 0.22734 -0.07197
213 8PX 0.27096 -0.34636 -1.78012 -1.54648 2.90895
214 8PY -1.50507 -0.19997 -1.02775 -0.89286 0.67443
215 8PZ -0.68369 1.05790 0.85957 -0.58182 1.00733
216 9PX 0.27438 -1.44638 -1.54923 -1.18724 1.49157
217 9PY -0.42469 -0.83507 -0.89445 -0.68545 -0.44624
218 9PZ -0.37704 0.83960 0.38882 -0.74091 0.74221
219 10D 0 0.02559 -0.09094 0.02976 -0.05736 0.02976
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221 10D-1 -0.03592 0.00795 -0.00282 0.00211 -0.05321
222 10D+2 -0.03127 -0.02366 0.02898 0.00195 -0.02274
223 10D-2 0.02995 -0.04099 0.05020 0.00338 -0.02224
224 11D 0 -0.16765 0.58967 -0.15315 0.34500 -0.22112
225 11D+1 -0.20167 -0.03398 0.12402 -0.01820 -0.14042
226 11D-1 0.14932 -0.01962 0.07160 -0.01051 0.32572
227 11D+2 0.29076 0.15717 -0.15282 -0.03609 0.13894
228 11D-2 -0.24941 0.27223 -0.26469 -0.06251 0.18496
229 12D 0 -0.38344 0.24880 1.66083 1.09947 -0.05567
230 12D+1 0.32527 0.83141 0.45967 -0.87010 1.22841
231 12D-1 -1.40102 0.48002 0.26539 -0.50235 0.07152
232 12D+2 0.92229 -0.69692 -0.63125 -0.05601 1.73941
233 12D-2 -0.35422 -1.20710 -1.09336 -0.09701 0.19821
234 13F 0 0.02125 0.03432 0.00057 -0.06613 0.00352
235 13F+1 -0.00013 -0.00189 -0.04325 -0.03798 -0.01436
236 13F-1 0.05045 -0.00109 -0.02497 -0.02193 -0.03322
237 13F+2 -0.03773 0.00015 0.00829 -0.00251 -0.00168
238 13F-2 0.00829 0.00026 0.01436 -0.00434 -0.00913
239 13F+3 -0.00032 0.00000 0.00000 0.00000 -0.05220
240 13F-3 0.00659 0.05757 0.01308 -0.04031 -0.01374
241 14F 0 -0.10339 -0.40336 -0.01441 0.85024 -0.20571
242 14F+1 -0.17779 0.36087 1.03974 0.43799 0.06610
243 14F-1 -0.60980 0.20835 0.60030 0.25287 0.28175
244 14F+2 0.78232 0.08522 0.00881 -0.10235 0.36682
245 14F-2 -0.52532 0.14760 0.01526 -0.17728 0.21218
246 14F+3 0.63197 0.00000 0.00000 0.00000 0.80507
247 14F-3 -0.00756 -0.77708 -0.46570 0.26280 0.39682
248 15G 0 0.01233 -0.01616 -0.03390 -0.00151 -0.00658
249 15G+1 -0.00917 -0.00279 0.01815 0.01992 -0.01216
250 15G-1 0.01020 -0.00161 0.01048 0.01150 0.00189
251 15G+2 0.00909 0.01315 0.02267 -0.00326 0.00977
252 15G-2 -0.02275 0.02277 0.03927 -0.00565 0.00313
253 15G+3 0.05511 0.00000 0.00000 0.00000 0.02568
254 15G-3 -0.00503 -0.00131 -0.00008 -0.01438 0.01680
255 15G+4 0.02405 0.01495 0.01178 0.00064 0.01970
256 15G-4 0.02276 -0.02589 -0.02040 -0.00112 0.02295
96 97 98 99 100
(E)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 4.98375 4.99356 5.05134 5.05134 5.17672
1 1 N 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 -0.08642 0.00000 -0.00830 0.00000 -0.02223
8 7PY 0.00000 0.00000 0.00000 -0.00830 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX -1.19895 0.00000 -0.24303 0.00000 -0.22008
11 8PY 0.00000 0.00000 0.00000 -0.24303 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 10.99901 0.00000 2.06642 0.00000 1.90095
14 9PY 0.00000 0.00000 0.00000 2.06642 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 3.29539 0.00000 -0.55371 0.00000 -1.44008
17 10PY 0.00000 0.00000 0.00000 -0.55371 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.99438 0.00000 0.12761 0.00000 -0.08076
20 11PY 0.00000 0.00000 0.00000 0.12761 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 0.02261 0.00000 -0.00293 0.00000 0.00205
24 12D-1 0.00000 0.00000 0.00000 -0.00293 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.01646 0.00000
26 12D-2 0.04102 0.00000 0.01646 0.00000 0.02086
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 -0.20698 0.00000 0.03658 0.00000 0.07426
29 13D-1 0.00000 0.00000 0.00000 0.03658 0.00000
30 13D+2 0.00000 0.00000 0.00000 -0.17055 0.00000
31 13D-2 -0.34629 0.00000 -0.17055 0.00000 -0.25663
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 -2.72726 0.00000 -0.64720 0.00000 -0.73950
34 14D-1 0.00000 0.00000 0.00000 -0.64720 0.00000
35 14D+2 0.00000 0.00000 0.00000 1.19292 0.00000
36 14D-2 -1.03941 0.00000 1.19292 0.00000 1.72967
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 -0.63578 0.00000 -0.04547 0.00000 0.90916
39 15D-1 0.00000 0.00000 0.00000 -0.04547 0.00000
40 15D+2 0.00000 0.00000 0.00000 0.60407 0.00000
41 15D-2 0.54776 0.00000 0.60407 0.00000 -0.55755
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.01547 0.00000 0.00630 0.00000 -0.03862
44 16F-1 0.00000 0.00000 0.00000 0.00630 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.03304 0.00000
46 16F-2 0.03540 0.00000 0.03304 0.00000 0.03217
47 16F+3 0.00000 0.06658 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 -0.24880 0.00000 -0.03600 0.00000 0.29145
51 17F-1 0.00000 0.00000 0.00000 -0.03600 0.00000
52 17F+2 0.00000 0.00000 0.00000 -0.19168 0.00000
53 17F-2 0.02315 0.00000 -0.19168 0.00000 -0.12806
54 17F+3 0.00000 -0.70080 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.57957 0.00000 -0.26653 0.00000 -0.19882
58 18F-1 0.00000 0.00000 0.00000 -0.26653 0.00000
59 18F+2 0.00000 0.00000 0.00000 -0.24218 0.00000
60 18F-2 -0.15509 0.00000 -0.24218 0.00000 -0.51137
61 18F+3 0.00000 0.46302 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.02087 0.00000 -0.02958 0.00000 0.04587
65 19G-1 0.00000 0.00000 0.00000 -0.02958 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.03400 0.00000
67 19G-2 0.02296 0.00000 -0.03400 0.00000 -0.05050
68 19G+3 0.00000 0.03451 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.04566 0.00000
71 19G-4 -0.03325 0.00000 -0.04566 0.00000 -0.00974
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 -0.00729 0.00000 0.37836 0.00000 -0.46471
74 20G-1 0.00000 0.00000 0.00000 0.37836 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.37262 0.00000
76 20G-2 -0.15882 0.00000 0.37262 0.00000 0.38461
77 20G+3 0.00000 -0.17248 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 -0.32216 0.00000
80 20G-4 -0.10852 0.00000 0.32216 0.00000 -0.06959
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 -0.01089 0.00000 -0.01322 0.00000 0.02164
83 21H-1 0.00000 0.00000 0.00000 -0.01322 0.00000
84 21H+2 0.00000 0.00000 0.00000 -0.02686 0.00000
85 21H-2 0.03609 0.00000 -0.02686 0.00000 0.02829
86 21H+3 0.00000 0.03096 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 0.00000 0.00808 0.00000
89 21H-4 0.00041 0.00000 -0.00808 0.00000 0.00803
90 21H+5 0.01456 0.00000 0.03464 0.00000 0.01709
91 21H-5 0.00000 0.00000 0.00000 -0.03464 0.00000
92 2 H 1S 0.00000 0.00000 0.00000 -0.00895 0.00000
93 2S 0.00000 0.00000 0.00000 0.02101 0.00000
94 3S 0.00000 0.00000 0.00000 0.21033 0.00000
95 4S 0.00000 0.00000 0.00000 0.20817 0.00000
96 5S 0.00000 0.00000 0.00000 -0.07558 0.00000
97 6PX 0.01637 -0.01832 0.01293 0.00000 0.03747
98 6PY 0.00000 0.00000 0.00000 0.01274 0.00000
99 6PZ 0.00000 0.00000 0.00000 -0.00450 0.00000
100 7PX -0.06655 0.12433 -0.04403 0.00000 -0.20760
101 7PY 0.00000 0.00000 0.00000 -0.11911 0.00000
102 7PZ 0.00000 0.00000 0.00000 0.04955 0.00000
103 8PX -1.00506 -0.20851 -0.53511 0.00000 -0.34060
104 8PY 0.00000 0.00000 0.00000 0.26453 0.00000
105 8PZ 0.00000 0.00000 0.00000 -0.30648 0.00000
106 9PX -1.30740 -0.65258 -0.38361 0.00000 -0.12460
107 9PY 0.00000 0.00000 0.00000 -0.02523 0.00000
108 9PZ 0.00000 0.00000 0.00000 -0.07003 0.00000
109 10D 0 0.00000 0.00000 0.00000 0.10322 0.00000
110 10D+1 -0.06565 -0.10548 0.06076 0.00000 0.11826
111 10D-1 0.00000 0.00000 0.00000 0.04704 0.00000
112 10D+2 0.00000 0.00000 0.00000 -0.08897 0.00000
113 10D-2 -0.00990 0.04971 0.00628 0.00000 0.03354
114 11D 0 0.00000 0.00000 0.00000 -0.69205 0.00000
115 11D+1 0.40679 0.68018 -0.35306 0.00000 -0.75382
116 11D-1 0.00000 0.00000 0.00000 -0.29277 0.00000
117 11D+2 0.00000 0.00000 0.00000 0.48231 0.00000
118 11D-2 0.03216 -0.43234 -0.06631 0.00000 -0.17124
119 12D 0 0.00000 0.00000 0.00000 0.86445 0.00000
120 12D+1 -0.63770 -0.68700 0.02877 0.00000 0.18902
121 12D-1 0.00000 0.00000 0.00000 0.73284 0.00000
122 12D+2 0.00000 0.00000 0.00000 -0.44315 0.00000
123 12D-2 1.62498 1.01914 0.80981 0.00000 1.06335
124 13F 0 0.00000 0.00000 0.00000 -0.04123 0.00000
125 13F+1 -0.02493 -0.01756 0.01199 0.00000 -0.00801
126 13F-1 0.00000 0.00000 0.00000 0.03121 0.00000
127 13F+2 0.00000 0.00000 0.00000 -0.01083 0.00000
128 13F-2 0.00359 -0.04417 -0.01219 0.00000 -0.02686
129 13F+3 -0.06027 -0.02193 -0.04215 0.00000 -0.03133
130 13F-3 0.00000 0.00000 0.00000 -0.02610 0.00000
131 14F 0 0.00000 0.00000 0.00000 0.58832 0.00000
132 14F+1 0.24359 0.13456 0.02635 0.00000 0.20370
133 14F-1 0.00000 0.00000 0.00000 -0.31490 0.00000
134 14F+2 0.00000 0.00000 0.00000 0.21328 0.00000
135 14F-2 0.24432 0.55284 0.11766 0.00000 0.35097
136 14F+3 0.92961 0.30891 0.69586 0.00000 0.71280
137 14F-3 0.00000 0.00000 0.00000 0.45069 0.00000
138 15G 0 0.00000 0.00000 0.00000 0.00788 0.00000
139 15G+1 0.00891 0.00057 0.00945 0.00000 0.00464
140 15G-1 0.00000 0.00000 0.00000 -0.03107 0.00000
141 15G+2 0.00000 0.00000 0.00000 -0.00190 0.00000
142 15G-2 0.00796 0.01173 -0.02166 0.00000 -0.00817
143 15G+3 0.02966 0.02758 0.01021 0.00000 0.00570
144 15G-3 0.00000 0.00000 0.00000 -0.00114 0.00000
145 15G+4 0.00000 0.00000 0.00000 0.02278 0.00000
146 15G-4 -0.03295 -0.02458 -0.02072 0.00000 -0.03739
147 3 H 1S -0.03399 0.00000 -0.00775 0.00448 -0.02275
148 2S 0.67267 0.00000 0.01820 -0.01051 0.30653
149 3S -6.45506 0.00000 0.18215 -0.10516 0.32752
150 4S -2.92583 0.00000 0.18028 -0.10409 0.79869
151 5S -0.19557 0.00000 -0.06545 0.03779 -0.06016
152 6PX 0.05304 0.00916 0.01279 0.00008 0.02347
153 6PY -0.02117 0.01587 0.00008 0.01288 0.00808
154 6PZ -0.00636 0.00000 -0.00390 0.00225 -0.02025
155 7PX -0.57029 -0.06216 -0.10034 0.03251 -0.20928
156 7PY 0.29083 -0.10767 0.03251 -0.06280 0.00097
157 7PZ 0.12466 0.00000 0.04291 -0.02477 0.15316
158 8PX 4.03340 0.10426 0.06462 -0.34625 -0.00016
159 8PY -2.90895 0.18058 -0.34625 -0.33520 -0.19655
160 8PZ -1.74474 0.00000 -0.26542 0.15324 -0.28900
161 9PX 1.27608 0.32629 -0.11483 -0.15518 -0.27633
162 9PY -1.49157 0.56515 -0.15518 -0.29402 0.08760
163 9PZ -1.28554 0.00000 -0.06065 0.03502 -0.06151
164 10D 0 -0.05155 0.00000 0.08939 -0.05161 -0.04377
165 10D+1 -0.02833 0.05274 0.05047 0.00594 -0.00998
166 10D-1 -0.02154 0.09135 0.00594 0.05733 0.07404
167 10D+2 0.02224 -0.04305 0.04124 -0.01754 -0.00570
168 10D-2 -0.04842 -0.02485 -0.06516 0.04124 0.04341
169 11D 0 0.38299 0.00000 -0.59933 0.34602 0.20523
170 11D+1 0.16358 -0.34009 -0.30784 -0.02610 -0.00452
171 11D-1 0.14042 -0.58905 -0.02610 -0.33798 -0.43261
172 11D+2 -0.18496 0.37442 -0.23756 0.07084 0.12703
173 11D-2 0.35252 0.21617 0.34516 -0.23756 -0.39126
174 12D 0 0.09643 0.00000 0.74864 -0.43223 -0.21267
175 12D+1 1.48996 0.34350 0.55682 -0.30487 -0.14592
176 12D-1 -1.22841 0.59496 -0.30487 0.20479 0.19338
177 12D+2 -0.19821 -0.88261 0.54255 0.49657 0.07633
178 12D-2 1.96829 -0.50957 -0.12991 0.54255 0.93115
179 13F 0 -0.00610 0.00000 -0.03570 0.02061 0.00943
180 13F+1 -0.04980 0.00878 0.02641 -0.00832 0.01254
181 13F-1 0.01436 0.01521 -0.00832 0.01680 -0.01187
182 13F+2 0.00913 0.03825 -0.00059 -0.01185 -0.02051
183 13F-2 -0.01222 0.02209 -0.01117 -0.00059 0.00866
184 13F+3 0.03014 -0.02193 0.02108 0.03651 0.01567
185 13F-3 0.02380 0.00000 -0.02260 0.01305 0.04608
186 14F 0 0.35631 0.00000 0.50950 -0.29416 -0.18189
187 14F+1 0.35808 -0.06728 -0.22959 0.14776 -0.11917
188 14F-1 -0.06610 -0.11653 0.14776 -0.05896 0.18641
189 14F+2 -0.21218 -0.47878 -0.04140 0.14156 0.25183
190 14F-2 0.61183 -0.27642 0.18937 -0.04140 -0.08520
191 14F+3 -0.46481 0.30891 -0.34793 -0.60263 -0.35640
192 14F-3 -0.68732 0.00000 0.39031 -0.22535 -0.50484
193 15G 0 0.01140 0.00000 0.00682 -0.00394 -0.00948
194 15G+1 -0.01214 -0.00028 -0.02094 0.01754 0.00577
195 15G-1 0.01216 -0.00049 0.01754 -0.00068 -0.00065
196 15G+2 -0.00313 -0.01015 -0.00856 -0.01672 -0.00004
197 15G-2 0.01339 -0.00586 -0.00684 -0.00856 -0.00810
198 15G+3 -0.01483 0.02758 -0.00510 -0.00884 -0.00285
199 15G-3 -0.02909 0.00000 -0.00099 0.00057 -0.00117
200 15G+4 0.02295 -0.02129 -0.00089 0.02124 0.02478
201 15G-4 0.00680 0.01229 -0.02227 0.00089 0.00553
202 4 H 1S 0.03399 0.00000 0.00775 0.00448 0.02275
203 2S -0.67267 0.00000 -0.01820 -0.01051 -0.30653
204 3S 6.45506 0.00000 -0.18215 -0.10516 -0.32752
205 4S 2.92583 0.00000 -0.18028 -0.10409 -0.79869
206 5S 0.19557 0.00000 0.06545 0.03779 0.06016
207 6PX 0.05304 0.00916 0.01279 -0.00008 0.02347
208 6PY 0.02117 -0.01587 -0.00008 0.01288 -0.00808
209 6PZ 0.00636 0.00000 0.00390 0.00225 0.02025
210 7PX -0.57029 -0.06216 -0.10034 -0.03251 -0.20928
211 7PY -0.29083 0.10767 -0.03251 -0.06280 -0.00097
212 7PZ -0.12466 0.00000 -0.04291 -0.02477 -0.15316
213 8PX 4.03340 0.10426 0.06462 0.34625 -0.00016
214 8PY 2.90895 -0.18058 0.34625 -0.33520 0.19655
215 8PZ 1.74474 0.00000 0.26542 0.15324 0.28900
216 9PX 1.27608 0.32629 -0.11483 0.15518 -0.27633
217 9PY 1.49157 -0.56515 0.15518 -0.29402 -0.08760
218 9PZ 1.28554 0.00000 0.06065 0.03502 0.06151
219 10D 0 0.05155 0.00000 -0.08939 -0.05161 0.04377
220 10D+1 -0.02833 0.05274 0.05047 -0.00594 -0.00998
221 10D-1 0.02154 -0.09135 -0.00594 0.05733 -0.07404
222 10D+2 -0.02224 0.04305 -0.04124 -0.01754 0.00570
223 10D-2 -0.04842 -0.02485 -0.06516 -0.04124 0.04341
224 11D 0 -0.38299 0.00000 0.59933 0.34602 -0.20523
225 11D+1 0.16358 -0.34009 -0.30784 0.02610 -0.00452
226 11D-1 -0.14042 0.58905 0.02610 -0.33798 0.43261
227 11D+2 0.18496 -0.37442 0.23756 0.07084 -0.12703
228 11D-2 0.35252 0.21617 0.34516 0.23756 -0.39126
229 12D 0 -0.09643 0.00000 -0.74864 -0.43223 0.21267
230 12D+1 1.48996 0.34350 0.55682 0.30487 -0.14592
231 12D-1 1.22841 -0.59496 0.30487 0.20479 -0.19338
232 12D+2 0.19821 0.88261 -0.54255 0.49657 -0.07633
233 12D-2 1.96829 -0.50957 -0.12991 -0.54255 0.93115
234 13F 0 0.00610 0.00000 0.03570 0.02061 -0.00943
235 13F+1 -0.04980 0.00878 0.02641 0.00832 0.01254
236 13F-1 -0.01436 -0.01521 0.00832 0.01680 0.01187
237 13F+2 -0.00913 -0.03825 0.00059 -0.01185 0.02051
238 13F-2 -0.01222 0.02209 -0.01117 0.00059 0.00866
239 13F+3 0.03014 -0.02193 0.02108 -0.03651 0.01567
240 13F-3 -0.02380 0.00000 0.02260 0.01305 -0.04608
241 14F 0 -0.35631 0.00000 -0.50950 -0.29416 0.18189
242 14F+1 0.35808 -0.06728 -0.22959 -0.14776 -0.11917
243 14F-1 0.06610 0.11653 -0.14776 -0.05896 -0.18641
244 14F+2 0.21218 0.47878 0.04140 0.14156 -0.25183
245 14F-2 0.61183 -0.27642 0.18937 0.04140 -0.08520
246 14F+3 -0.46481 0.30891 -0.34793 0.60263 -0.35640
247 14F-3 0.68732 0.00000 -0.39031 -0.22535 0.50484
248 15G 0 -0.01140 0.00000 -0.00682 -0.00394 0.00948
249 15G+1 -0.01214 -0.00028 -0.02094 -0.01754 0.00577
250 15G-1 -0.01216 0.00049 -0.01754 -0.00068 0.00065
251 15G+2 0.00313 0.01015 0.00856 -0.01672 0.00004
252 15G-2 0.01339 -0.00586 -0.00684 0.00856 -0.00810
253 15G+3 -0.01483 0.02758 -0.00510 0.00884 -0.00285
254 15G-3 0.02909 0.00000 0.00099 0.00057 0.00117
255 15G+4 -0.02295 0.02129 0.00089 0.02124 -0.02478
256 15G-4 0.00680 0.01229 -0.02227 -0.00089 0.00553
101 102 103 104 105
(E)--V (A2)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 5.17672 5.24800 5.27143 5.27143 5.30127
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 0.03815
2 2S 0.00000 0.00000 0.00000 0.00000 0.03632
3 3S 0.00000 0.00000 0.00000 0.00000 1.03686
4 4S 0.00000 0.00000 0.00000 0.00000 -9.04499
5 5S 0.00000 0.00000 0.00000 0.00000 17.81218
6 6S 0.00000 0.00000 0.00000 0.00000 6.01263
7 7PX 0.00000 0.00000 -0.05116 0.00000 0.00000
8 7PY -0.02223 0.00000 0.00000 -0.05116 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.04980
10 8PX 0.00000 0.00000 -0.50258 0.00000 0.00000
11 8PY -0.22008 0.00000 0.00000 -0.50258 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 1.46185
13 9PX 0.00000 0.00000 -2.66902 0.00000 0.00000
14 9PY 1.90095 0.00000 0.00000 -2.66902 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -3.14726
16 10PX 0.00000 0.00000 6.87022 0.00000 0.00000
17 10PY -1.44008 0.00000 0.00000 6.87022 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -5.34063
19 11PX 0.00000 0.00000 0.33891 0.00000 0.00000
20 11PY -0.08076 0.00000 0.00000 0.33891 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.54334
22 12D 0 0.00000 0.00000 0.00000 0.00000 -0.03225
23 12D+1 0.00000 0.00000 -0.02405 0.00000 0.00000
24 12D-1 0.00205 0.00000 0.00000 -0.02405 0.00000
25 12D+2 0.02086 0.00000 0.00000 -0.02821 0.00000
26 12D-2 0.00000 0.00000 -0.02821 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.11191
28 13D+1 0.00000 0.00000 0.04242 0.00000 0.00000
29 13D-1 0.07426 0.00000 0.00000 0.04242 0.00000
30 13D+2 -0.25663 0.00000 0.00000 0.14257 0.00000
31 13D-2 0.00000 0.00000 0.14257 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 -1.36507
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108 9PZ -0.07103 0.00000 0.00000 -0.57035 0.21952
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121 12D-1 -0.25756 0.00000 0.00000 -0.04881 -0.66323
122 12D+2 0.88708 0.00000 0.00000 -1.65746 -0.12262
123 12D-2 0.00000 1.27614 0.65742 0.00000 0.00000
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126 13F-1 0.01939 0.00000 0.00000 -0.01966 0.01073
127 13F+2 0.02050 0.00000 0.00000 0.03184 0.05936
128 13F-2 0.00000 0.00796 0.00140 0.00000 0.00000
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130 13F-3 0.05321 0.00000 0.00000 -0.05753 -0.02774
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135 14F-2 0.00000 -0.03659 -0.14209 0.00000 0.00000
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137 14F-3 -0.58294 0.00000 0.00000 0.90454 0.30675
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141 15G+2 -0.00807 0.00000 0.00000 0.02412 -0.00490
142 15G-2 0.00000 -0.00130 -0.00687 0.00000 0.00000
143 15G+3 0.00000 0.00800 -0.00025 0.00000 0.00000
144 15G-3 -0.00135 0.00000 0.00000 0.01640 0.01435
145 15G+4 -0.01983 0.00000 0.00000 0.02199 0.00855
146 15G-4 0.00000 -0.01014 0.00135 0.00000 0.00000
147 3 H 1S 0.01313 0.00000 0.01851 -0.01069 0.01567
148 2S -0.17698 0.00000 0.05283 -0.03050 -0.43059
149 3S -0.18909 0.00000 -2.18040 1.25886 -5.94512
150 4S -0.46112 0.00000 -0.96825 0.55902 -1.90967
151 5S 0.03473 0.00000 0.23286 -0.13444 -0.14254
152 6PX 0.00808 0.01942 -0.01451 -0.00652 -0.03792
153 6PY 0.03280 0.03364 -0.00652 -0.02204 0.02189
154 6PZ 0.01169 0.00000 -0.04073 0.02351 -0.00200
155 7PX 0.00097 -0.12521 0.11940 0.01210 0.33615
156 7PY -0.20816 -0.21688 0.01210 0.13337 -0.19408
157 7PZ -0.08843 0.00000 0.28147 -0.16251 0.00366
158 8PX -0.19655 0.24607 -0.86044 0.46914 1.41105
159 8PY -0.22712 0.42621 0.46914 -0.31872 -0.81467
160 8PZ 0.16685 0.00000 -0.11510 0.06645 -0.99461
161 9PX 0.08760 0.42717 -0.87950 0.08696 0.70533
162 9PY -0.17518 0.73987 0.08696 -0.77909 -0.40722
163 9PZ 0.03551 0.00000 -0.49394 0.28518 0.21952
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166 10D-1 0.07551 -0.07897 -0.02767 0.03001 0.01813
167 10D+2 0.03683 -0.10343 0.03064 0.06720 -0.01767
168 10D-2 -0.00570 -0.05971 0.03182 0.03064 0.03060
169 11D 0 -0.11849 0.00000 0.51976 -0.30008 -0.17126
170 11D+1 -0.43261 0.27767 -0.46704 0.23504 0.42549
171 11D-1 -0.50405 0.48094 0.23504 -0.19564 -0.24565
172 11D+2 -0.24458 0.77077 -0.27796 -0.54530 0.00986
173 11D-2 0.12703 0.44501 -0.22435 -0.27796 -0.01708
174 12D 0 0.12279 0.00000 -1.23905 0.71537 0.14171
175 12D+1 0.19338 -0.13176 0.02726 0.13176 -0.57437
176 12D-1 0.07737 -0.22821 0.13176 0.17940 0.33161
177 12D+2 1.01928 -1.10517 1.00237 0.07870 0.06131
178 12D-2 0.07633 -0.63807 -1.07874 1.00237 -0.10619
179 13F 0 -0.00545 0.00000 0.01444 -0.00834 0.01592
180 13F+1 -0.01187 0.00093 -0.01322 0.01115 0.00929
181 13F-1 -0.00116 0.00161 0.01115 -0.00035 -0.00536
182 13F+2 -0.01502 -0.00690 -0.01318 0.00901 -0.02968
183 13F-2 -0.02051 -0.00398 0.02423 -0.01318 0.05140
184 13F+3 0.02713 -0.01107 0.00349 0.00604 0.00000
185 13F-3 -0.02660 0.00000 -0.04982 0.02877 -0.02774
186 14F 0 0.10502 0.00000 -0.22076 0.12746 -0.20179
187 14F+1 0.18641 0.00411 0.28877 -0.21426 0.01103
188 14F-1 0.09608 0.00711 -0.21426 0.04136 -0.00637
189 14F+2 0.20558 0.03168 0.14610 -0.22643 0.27225
190 14F-2 0.25183 0.01829 -0.39513 0.14610 -0.47155
191 14F+3 -0.61730 0.08478 0.05896 0.10212 0.00000
192 14F-3 0.29147 0.00000 0.78336 -0.45227 0.30675
193 15G 0 0.00548 0.00000 0.01848 -0.01067 -0.00318
194 15G+1 -0.00065 -0.00102 0.00899 -0.00724 0.01049
195 15G-1 0.00502 -0.00177 -0.00724 0.00063 -0.00606
196 15G+2 -0.00814 0.00113 -0.01342 0.00088 0.00245
197 15G-2 -0.00004 0.00065 0.01638 -0.01342 -0.00425
198 15G+3 -0.00494 0.00800 0.00013 0.00022 0.00000
199 15G-3 0.00068 0.00000 0.01420 -0.00820 0.01435
200 15G+4 0.02308 -0.00878 -0.01010 0.00449 -0.00428
201 15G-4 -0.02478 0.00507 -0.01615 0.01010 -0.00741
202 4 H 1S 0.01313 0.00000 -0.01851 -0.01069 0.01567
203 2S -0.17698 0.00000 -0.05283 -0.03050 -0.43059
204 3S -0.18909 0.00000 2.18040 1.25886 -5.94512
205 4S -0.46112 0.00000 0.96825 0.55902 -1.90967
206 5S 0.03473 0.00000 -0.23286 -0.13444 -0.14254
207 6PX -0.00808 0.01942 -0.01451 0.00652 0.03792
208 6PY 0.03280 -0.03364 0.00652 -0.02204 0.02189
209 6PZ 0.01169 0.00000 0.04073 0.02351 -0.00200
210 7PX -0.00097 -0.12521 0.11940 -0.01210 -0.33615
211 7PY -0.20816 0.21688 -0.01210 0.13337 -0.19408
212 7PZ -0.08843 0.00000 -0.28147 -0.16251 0.00366
213 8PX 0.19655 0.24607 -0.86044 -0.46914 -1.41105
214 8PY -0.22712 -0.42621 -0.46914 -0.31872 -0.81467
215 8PZ 0.16685 0.00000 0.11510 0.06645 -0.99461
216 9PX -0.08760 0.42717 -0.87950 -0.08696 -0.70533
217 9PY -0.17518 -0.73987 -0.08696 -0.77909 -0.40722
218 9PZ 0.03551 0.00000 0.49394 0.28518 0.21952
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220 10D+1 -0.07404 -0.04559 0.06196 0.02767 0.03140
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222 10D+2 0.03683 0.10343 -0.03064 0.06720 -0.01767
223 10D-2 0.00570 -0.05971 0.03182 -0.03064 -0.03060
224 11D 0 -0.11849 0.00000 -0.51976 -0.30008 -0.17126
225 11D+1 0.43261 0.27767 -0.46704 -0.23504 -0.42549
226 11D-1 -0.50405 -0.48094 -0.23504 -0.19564 -0.24565
227 11D+2 -0.24458 -0.77077 0.27796 -0.54530 0.00986
228 11D-2 -0.12703 0.44501 -0.22435 0.27796 0.01708
229 12D 0 0.12279 0.00000 1.23905 0.71537 0.14171
230 12D+1 -0.19338 -0.13176 0.02726 -0.13176 0.57437
231 12D-1 0.07737 0.22821 -0.13176 0.17940 0.33161
232 12D+2 1.01928 1.10517 -1.00237 0.07870 0.06131
233 12D-2 -0.07633 -0.63807 -1.07874 -1.00237 0.10619
234 13F 0 -0.00545 0.00000 -0.01444 -0.00834 0.01592
235 13F+1 0.01187 0.00093 -0.01322 -0.01115 -0.00929
236 13F-1 -0.00116 -0.00161 -0.01115 -0.00035 -0.00536
237 13F+2 -0.01502 0.00690 0.01318 0.00901 -0.02968
238 13F-2 0.02051 -0.00398 0.02423 0.01318 -0.05140
239 13F+3 -0.02713 -0.01107 0.00349 -0.00604 0.00000
240 13F-3 -0.02660 0.00000 0.04982 0.02877 -0.02774
241 14F 0 0.10502 0.00000 0.22076 0.12746 -0.20179
242 14F+1 -0.18641 0.00411 0.28877 0.21426 -0.01103
243 14F-1 0.09608 -0.00711 0.21426 0.04136 -0.00637
244 14F+2 0.20558 -0.03168 -0.14610 -0.22643 0.27225
245 14F-2 -0.25183 0.01829 -0.39513 -0.14610 0.47155
246 14F+3 0.61730 0.08478 0.05896 -0.10212 0.00000
247 14F-3 0.29147 0.00000 -0.78336 -0.45227 0.30675
248 15G 0 0.00548 0.00000 -0.01848 -0.01067 -0.00318
249 15G+1 0.00065 -0.00102 0.00899 0.00724 -0.01049
250 15G-1 0.00502 0.00177 0.00724 0.00063 -0.00606
251 15G+2 -0.00814 -0.00113 0.01342 0.00088 0.00245
252 15G-2 0.00004 0.00065 0.01638 0.01342 0.00425
253 15G+3 0.00494 0.00800 0.00013 -0.00022 0.00000
254 15G-3 0.00068 0.00000 -0.01420 -0.00820 0.01435
255 15G+4 0.02308 0.00878 0.01010 0.00449 -0.00428
256 15G-4 0.02478 0.00507 -0.01615 -0.01010 0.00741
106 107 108 109 110
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 5.47865 5.47865 5.51966 5.58451 5.80710
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2 2S 0.00000 0.00000 0.00000 0.03593 0.00000
3 3S 0.00000 0.00000 0.00000 -0.19154 0.00000
4 4S 0.00000 0.00000 0.00000 0.21306 0.00000
5 5S 0.00000 0.00000 0.00000 8.39472 0.00000
6 6S 0.00000 0.00000 0.00000 3.16700 0.00000
7 7PX 0.00000 -0.05293 0.00000 0.00000 0.00000
8 7PY -0.05293 0.00000 0.00000 0.00000 0.03263
9 7PZ 0.00000 0.00000 0.00000 0.00229 0.00000
10 8PX 0.00000 -1.08692 0.00000 0.00000 0.00000
11 8PY -1.08692 0.00000 0.00000 0.00000 -0.99899
12 8PZ 0.00000 0.00000 0.00000 -0.47358 0.00000
13 9PX 0.00000 1.36695 0.00000 0.00000 0.00000
14 9PY 1.36695 0.00000 0.00000 0.00000 6.68078
15 9PZ 0.00000 0.00000 0.00000 0.69188 0.00000
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17 10PY 0.92534 0.00000 0.00000 0.00000 10.90539
18 10PZ 0.00000 0.00000 0.00000 1.42329 0.00000
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20 11PY 0.02094 0.00000 0.00000 0.00000 0.33926
21 11PZ 0.00000 0.00000 0.00000 -0.41707 0.00000
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25 12D+2 -0.01921 0.00000 0.00000 0.00000 -0.00639
26 12D-2 0.00000 -0.01921 0.00000 0.00000 0.00000
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29 13D-1 -0.02076 0.00000 0.00000 0.00000 0.18050
30 13D+2 -0.01521 0.00000 0.00000 0.00000 0.12103
31 13D-2 0.00000 -0.01521 0.00000 0.00000 0.00000
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33 14D+1 0.00000 -0.37809 0.00000 0.00000 0.00000
34 14D-1 -0.37809 0.00000 0.00000 0.00000 -2.37446
35 14D+2 0.51864 0.00000 0.00000 0.00000 -1.57750
36 14D-2 0.00000 0.51864 0.00000 0.00000 0.00000
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38 15D+1 0.00000 -0.01548 0.00000 0.00000 0.00000
39 15D-1 -0.01548 0.00000 0.00000 0.00000 -2.27795
40 15D+2 0.25409 0.00000 0.00000 0.00000 -1.65205
41 15D-2 0.00000 0.25409 0.00000 0.00000 0.00000
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43 16F+1 0.00000 -0.08054 0.00000 0.00000 0.00000
44 16F-1 -0.08054 0.00000 0.00000 0.00000 -0.00680
45 16F+2 0.01612 0.00000 0.00000 0.00000 0.04223
46 16F-2 0.00000 0.01612 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 -0.01214 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.04413 0.00000
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51 17F-1 0.73521 0.00000 0.00000 0.00000 0.12012
52 17F+2 -0.21705 0.00000 0.00000 0.00000 -0.26818
53 17F-2 0.00000 -0.21705 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 -0.03534 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -0.55805 0.00000
56 18F 0 0.00000 0.00000 0.00000 -1.60148 0.00000
57 18F+1 0.00000 -1.07551 0.00000 0.00000 0.00000
58 18F-1 -1.07551 0.00000 0.00000 0.00000 -1.32816
59 18F+2 0.52829 0.00000 0.00000 0.00000 0.39674
60 18F-2 0.00000 0.52829 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 3.73213 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 -0.78825 0.00000
63 19G 0 0.00000 0.00000 0.00000 -0.07487 0.00000
64 19G+1 0.00000 -0.00617 0.00000 0.00000 0.00000
65 19G-1 -0.00617 0.00000 0.00000 0.00000 -0.03813
66 19G+2 0.02988 0.00000 0.00000 0.00000 -0.04627
67 19G-2 0.00000 0.02988 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00367 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.06276 0.00000
70 19G+4 0.00844 0.00000 0.00000 0.00000 -0.06142
71 19G-4 0.00000 -0.00844 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 1.11816 0.00000
73 20G+1 0.00000 0.07207 0.00000 0.00000 0.00000
74 20G-1 0.07207 0.00000 0.00000 0.00000 0.80970
75 20G+2 -0.43042 0.00000 0.00000 0.00000 0.59297
76 20G-2 0.00000 -0.43042 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 -0.13362 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 -0.61971 0.00000
79 20G+4 0.02751 0.00000 0.00000 0.00000 1.37210
80 20G-4 0.00000 -0.02751 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 -0.02119 0.00000
82 21H+1 0.00000 0.00951 0.00000 0.00000 0.00000
83 21H-1 0.00951 0.00000 0.00000 0.00000 -0.00538
84 21H+2 0.00019 0.00000 0.00000 0.00000 -0.03327
85 21H-2 0.00000 0.00019 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 -0.07005 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.12053 0.00000
88 21H+4 0.00035 0.00000 0.00000 0.00000 -0.11947
89 21H-4 0.00000 -0.00035 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00957 0.00000 0.00000 0.00000
91 21H-5 -0.00957 0.00000 0.00000 0.00000 0.01151
92 2 H 1S 0.01210 0.00000 0.00000 -0.02045 0.06118
93 2S -0.11339 0.00000 0.00000 0.78875 -0.57819
94 3S -0.54852 0.00000 0.00000 -2.01754 -9.31718
95 4S -0.82775 0.00000 0.00000 -2.28761 -4.01294
96 5S 0.09250 0.00000 0.00000 0.05787 0.35002
97 6PX 0.00000 -0.02022 0.04405 0.00000 0.00000
98 6PY 0.02099 0.00000 0.00000 0.00468 -0.04305
99 6PZ 0.02908 0.00000 0.00000 -0.08010 0.02502
100 7PX 0.00000 0.17581 -0.37569 0.00000 0.00000
101 7PY -0.14753 0.00000 0.00000 -0.16603 0.33683
102 7PZ -0.26187 0.00000 0.00000 0.75501 -0.11380
103 8PX 0.00000 -0.37663 2.09222 0.00000 0.00000
104 8PY 0.26635 0.00000 0.00000 0.70304 3.05966
105 8PZ 0.14286 0.00000 0.00000 -2.49057 -2.79917
106 9PX 0.00000 -0.15619 -0.21613 0.00000 0.00000
107 9PY 0.49123 0.00000 0.00000 0.96696 1.38233
108 9PZ 0.35003 0.00000 0.00000 -0.92331 -1.20113
109 10D 0 0.07512 0.00000 0.00000 0.02811 0.00136
110 10D+1 0.00000 -0.02621 -0.01196 0.00000 0.00000
111 10D-1 -0.03505 0.00000 0.00000 -0.03093 -0.03355
112 10D+2 0.03959 0.00000 0.00000 -0.03155 -0.02770
113 10D-2 0.00000 0.01274 0.06200 0.00000 0.00000
114 11D 0 -0.47196 0.00000 0.00000 -0.32956 0.05375
115 11D+1 0.00000 0.17780 0.09798 0.00000 0.00000
116 11D-1 0.25396 0.00000 0.00000 0.28602 0.85430
117 11D+2 -0.22342 0.00000 0.00000 0.08671 0.66913
118 11D-2 0.00000 -0.09692 -0.47555 0.00000 0.00000
119 12D 0 0.73142 0.00000 0.00000 -0.59090 -0.41737
120 12D+1 0.00000 -0.97702 1.28447 0.00000 0.00000
121 12D-1 -0.84910 0.00000 0.00000 0.84723 0.80802
122 12D+2 0.00407 0.00000 0.00000 0.34706 0.17561
123 12D-2 0.00000 0.15086 0.33069 0.00000 0.00000
124 13F 0 0.03928 0.00000 0.00000 0.03005 0.01940
125 13F+1 0.00000 0.00463 -0.06822 0.00000 0.00000
126 13F-1 -0.00797 0.00000 0.00000 0.03488 0.03391
127 13F+2 0.04029 0.00000 0.00000 0.05439 0.03002
128 13F-2 0.00000 -0.03339 0.05655 0.00000 0.00000
129 13F+3 0.00000 0.01617 -0.06744 0.00000 0.00000
130 13F-3 -0.04210 0.00000 0.00000 0.01851 0.02318
131 14F 0 -0.41296 0.00000 0.00000 -0.13105 0.16880
132 14F+1 0.00000 -0.14268 0.75055 0.00000 0.00000
133 14F-1 -0.27975 0.00000 0.00000 0.37621 0.09295
134 14F+2 -0.60184 0.00000 0.00000 -0.05671 0.32566
135 14F-2 0.00000 0.61654 -0.76585 0.00000 0.00000
136 14F+3 0.00000 -0.04187 0.52942 0.00000 0.00000
137 14F-3 0.33330 0.00000 0.00000 -0.13771 -0.53012
138 15G 0 -0.01831 0.00000 0.00000 0.02596 0.00785
139 15G+1 0.00000 0.00423 0.00186 0.00000 0.00000
140 15G-1 -0.00818 0.00000 0.00000 0.00382 0.00092
141 15G+2 -0.02445 0.00000 0.00000 0.02827 0.01492
142 15G-2 0.00000 0.01257 -0.00992 0.00000 0.00000
143 15G+3 0.00000 0.02307 0.00067 0.00000 0.00000
144 15G-3 0.01721 0.00000 0.00000 -0.01403 -0.02045
145 15G+4 -0.01022 0.00000 0.00000 0.00431 -0.00284
146 15G-4 0.00000 -0.00583 -0.00698 0.00000 0.00000
147 3 H 1S -0.00605 0.01048 0.00000 -0.02045 -0.03059
148 2S 0.05669 -0.09820 0.00000 0.78875 0.28910
149 3S 0.27426 -0.47504 0.00000 -2.01754 4.65859
150 4S 0.41388 -0.71685 0.00000 -2.28761 2.00647
151 5S -0.04625 0.08011 0.00000 0.05787 -0.17501
152 6PX -0.01785 0.01069 -0.02202 0.00405 -0.01513
153 6PY -0.00992 -0.01785 -0.03815 -0.00234 -0.06925
154 6PZ -0.01454 0.02518 0.00000 -0.08010 -0.01251
155 7PX 0.14001 -0.06670 0.18784 -0.14379 0.17572
156 7PY 0.09497 0.14001 0.32535 0.08302 0.64119
157 7PZ 0.13093 -0.22679 0.00000 0.75501 0.05690
158 8PX -0.27842 0.10561 -1.04611 0.60885 -2.36191
159 8PY -0.21588 -0.27842 -1.81192 -0.35152 -1.03129
160 8PZ -0.07143 0.12372 0.00000 -2.49057 1.39958
161 9PX -0.28034 0.32937 0.10806 0.83742 -1.03529
162 9PY 0.00566 -0.28034 0.18717 -0.48348 -0.41085
163 9PZ -0.17501 0.30313 0.00000 -0.92331 0.60057
164 10D 0 -0.03756 0.06506 0.00000 0.02811 -0.00068
165 10D+1 0.00383 -0.03284 0.00598 -0.02678 0.02199
166 10D-1 -0.02842 0.00383 0.01036 0.01546 0.00453
167 10D+2 0.01945 -0.01163 -0.05370 0.01578 0.00899
168 10D-2 -0.01163 0.03287 -0.03100 -0.02732 0.02118
169 11D 0 0.23598 -0.40873 0.00000 -0.32956 -0.02688
170 11D+1 -0.03298 0.23492 -0.04899 0.24770 -0.46456
171 11D-1 0.19684 -0.03298 -0.08485 -0.14301 0.04965
172 11D+2 -0.12855 0.05477 0.41184 -0.04335 0.20842
173 11D-2 0.05477 -0.19179 0.23777 0.07509 -0.26599
174 12D 0 -0.36571 0.63343 0.00000 -0.59090 0.20869
175 12D+1 -0.05539 -0.88108 -0.64223 0.73372 -0.53925
176 12D-1 -0.94504 -0.05539 -1.11238 -0.42362 -0.12598
177 12D+2 0.11416 0.06356 -0.28638 -0.17353 1.21387
178 12D-2 0.06356 0.04076 -0.16534 0.30056 0.59944
179 13F 0 -0.01964 0.03402 0.00000 0.03005 -0.00970
180 13F+1 0.00546 -0.00482 0.03411 0.03020 -0.01730
181 13F-1 0.00148 0.00546 0.05908 -0.01744 0.00395
182 13F+2 -0.01497 -0.03191 -0.04898 -0.02720 0.04321
183 13F-2 -0.03191 0.02187 -0.02828 0.04710 0.00762
184 13F+3 -0.01401 -0.00809 -0.06744 0.00000 -0.04086
185 13F-3 0.02105 -0.03646 0.00000 0.01851 -0.01159
186 14F 0 0.20648 -0.35763 0.00000 -0.13105 -0.08440
187 14F+1 0.05935 -0.24548 -0.37527 0.32580 0.02287
188 14F-1 -0.17695 0.05935 -0.64999 -0.18810 0.13257
189 14F+2 0.31195 0.52757 0.66325 0.02836 0.20763
190 14F-2 0.52757 -0.29724 0.38293 -0.04912 -0.06815
191 14F+3 0.03626 0.02094 0.52942 0.00000 -0.40684
192 14F-3 -0.16665 0.28865 0.00000 -0.13771 0.26506
193 15G 0 0.00915 -0.01585 0.00000 0.02596 -0.00393
194 15G+1 0.00538 -0.00508 -0.00093 0.00331 0.00557
195 15G-1 0.00113 0.00538 -0.00161 -0.00191 0.01057
196 15G+2 0.00331 0.01603 0.00859 -0.01413 0.00675
197 15G-2 0.01603 -0.01519 0.00496 0.02448 -0.00472
198 15G+3 -0.01998 -0.01154 0.00067 0.00000 -0.02673
199 15G-3 -0.00860 0.01490 0.00000 -0.01403 0.01022
200 15G+4 0.00182 0.00695 -0.00605 -0.00215 0.03385
201 15G-4 -0.00695 0.00621 0.00349 -0.00373 -0.02118
202 4 H 1S -0.00605 -0.01048 0.00000 -0.02045 -0.03059
203 2S 0.05669 0.09820 0.00000 0.78875 0.28910
204 3S 0.27426 0.47504 0.00000 -2.01754 4.65859
205 4S 0.41388 0.71685 0.00000 -2.28761 2.00647
206 5S -0.04625 -0.08011 0.00000 0.05787 -0.17501
207 6PX 0.01785 0.01069 -0.02202 -0.00405 0.01513
208 6PY -0.00992 0.01785 0.03815 -0.00234 -0.06925
209 6PZ -0.01454 -0.02518 0.00000 -0.08010 -0.01251
210 7PX -0.14001 -0.06670 0.18784 0.14379 -0.17572
211 7PY 0.09497 -0.14001 -0.32535 0.08302 0.64119
212 7PZ 0.13093 0.22679 0.00000 0.75501 0.05690
213 8PX 0.27842 0.10561 -1.04611 -0.60885 2.36191
214 8PY -0.21588 0.27842 1.81192 -0.35152 -1.03129
215 8PZ -0.07143 -0.12372 0.00000 -2.49057 1.39958
216 9PX 0.28034 0.32937 0.10806 -0.83742 1.03529
217 9PY 0.00566 0.28034 -0.18717 -0.48348 -0.41085
218 9PZ -0.17501 -0.30313 0.00000 -0.92331 0.60057
219 10D 0 -0.03756 -0.06506 0.00000 0.02811 -0.00068
220 10D+1 -0.00383 -0.03284 0.00598 0.02678 -0.02199
221 10D-1 -0.02842 -0.00383 -0.01036 0.01546 0.00453
222 10D+2 0.01945 0.01163 0.05370 0.01578 0.00899
223 10D-2 0.01163 0.03287 -0.03100 0.02732 -0.02118
224 11D 0 0.23598 0.40873 0.00000 -0.32956 -0.02688
225 11D+1 0.03298 0.23492 -0.04899 -0.24770 0.46456
226 11D-1 0.19684 0.03298 0.08485 -0.14301 0.04965
227 11D+2 -0.12855 -0.05477 -0.41184 -0.04335 0.20842
228 11D-2 -0.05477 -0.19179 0.23777 -0.07509 0.26599
229 12D 0 -0.36571 -0.63343 0.00000 -0.59090 0.20869
230 12D+1 0.05539 -0.88108 -0.64223 -0.73372 0.53925
231 12D-1 -0.94504 0.05539 1.11238 -0.42362 -0.12598
232 12D+2 0.11416 -0.06356 0.28638 -0.17353 1.21387
233 12D-2 -0.06356 0.04076 -0.16534 -0.30056 -0.59944
234 13F 0 -0.01964 -0.03402 0.00000 0.03005 -0.00970
235 13F+1 -0.00546 -0.00482 0.03411 -0.03020 0.01730
236 13F-1 0.00148 -0.00546 -0.05908 -0.01744 0.00395
237 13F+2 -0.01497 0.03191 0.04898 -0.02720 0.04321
238 13F-2 0.03191 0.02187 -0.02828 -0.04710 -0.00762
239 13F+3 0.01401 -0.00809 -0.06744 0.00000 0.04086
240 13F-3 0.02105 0.03646 0.00000 0.01851 -0.01159
241 14F 0 0.20648 0.35763 0.00000 -0.13105 -0.08440
242 14F+1 -0.05935 -0.24548 -0.37527 -0.32580 -0.02287
243 14F-1 -0.17695 -0.05935 0.64999 -0.18810 0.13257
244 14F+2 0.31195 -0.52757 -0.66325 0.02836 0.20763
245 14F-2 -0.52757 -0.29724 0.38293 0.04912 0.06815
246 14F+3 -0.03626 0.02094 0.52942 0.00000 0.40684
247 14F-3 -0.16665 -0.28865 0.00000 -0.13771 0.26506
248 15G 0 0.00915 0.01585 0.00000 0.02596 -0.00393
249 15G+1 -0.00538 -0.00508 -0.00093 -0.00331 -0.00557
250 15G-1 0.00113 -0.00538 0.00161 -0.00191 0.01057
251 15G+2 0.00331 -0.01603 -0.00859 -0.01413 0.00675
252 15G-2 -0.01603 -0.01519 0.00496 -0.02448 0.00472
253 15G+3 0.01998 -0.01154 0.00067 0.00000 0.02673
254 15G-3 -0.00860 -0.01490 0.00000 -0.01403 0.01022
255 15G+4 0.00182 -0.00695 0.00605 -0.00215 0.03385
256 15G-4 0.00695 0.00621 0.00349 0.00373 0.02118
111 112 113 114 115
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 5.80710 5.92118 5.98603 5.98603 6.14591
1 1 N 1S 0.00000 0.00102 0.00000 0.00000 -0.01479
2 2S 0.00000 -0.08095 0.00000 0.00000 0.05803
3 3S 0.00000 -0.34800 0.00000 0.00000 0.22286
4 4S 0.00000 -4.59399 0.00000 0.00000 -3.29424
5 5S 0.00000 36.07747 0.00000 0.00000 9.47183
6 6S 0.00000 13.49678 0.00000 0.00000 -0.62486
7 7PX 0.03263 0.00000 -0.11688 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 -0.11688 0.00000
9 7PZ 0.00000 0.13325 0.00000 0.00000 0.02644
10 8PX -0.99899 0.00000 -0.95273 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 -0.95273 0.00000
12 8PZ 0.00000 1.45623 0.00000 0.00000 0.82522
13 9PX 6.68078 0.00000 5.04230 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 5.04230 0.00000
15 9PZ 0.00000 -7.08297 0.00000 0.00000 -2.30383
16 10PX 10.90539 0.00000 -1.63783 0.00000 0.00000
17 10PY 0.00000 0.00000 0.00000 -1.63783 0.00000
18 10PZ 0.00000 -10.29158 0.00000 0.00000 -0.72220
19 11PX 0.33926 0.00000 -0.86191 0.00000 0.00000
20 11PY 0.00000 0.00000 0.00000 -0.86191 0.00000
21 11PZ 0.00000 -1.19664 0.00000 0.00000 0.42281
22 12D 0 0.00000 0.02801 0.00000 0.00000 -0.00198
23 12D+1 0.00218 0.00000 0.02829 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00000 0.02829 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.03747 0.00000
26 12D-2 -0.00639 0.00000 0.03747 0.00000 0.00000
27 13D 0 0.00000 -0.31374 0.00000 0.00000 0.14122
28 13D+1 0.18050 0.00000 -0.18104 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 -0.18104 0.00000
30 13D+2 0.00000 0.00000 0.00000 -0.23667 0.00000
31 13D-2 0.12103 0.00000 -0.23667 0.00000 0.00000
32 14D 0 0.00000 -0.91466 0.00000 0.00000 -0.50945
33 14D+1 -2.37446 0.00000 0.57047 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 0.57047 0.00000
35 14D+2 0.00000 0.00000 0.00000 0.19521 0.00000
36 14D-2 -1.57750 0.00000 0.19521 0.00000 0.00000
37 15D 0 0.00000 0.12252 0.00000 0.00000 -1.05171
38 15D+1 -2.27795 0.00000 2.26006 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 2.26006 0.00000
40 15D+2 0.00000 0.00000 0.00000 2.20637 0.00000
41 15D-2 -1.65205 0.00000 2.20637 0.00000 0.00000
42 16F 0 0.00000 -0.03959 0.00000 0.00000 0.06353
43 16F+1 -0.00680 0.00000 0.06031 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.06031 0.00000
45 16F+2 0.00000 0.00000 0.00000 -0.02434 0.00000
46 16F-2 0.04223 0.00000 -0.02434 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.04715 0.00000 0.00000 0.09376
49 17F 0 0.00000 0.68489 0.00000 0.00000 -0.62896
50 17F+1 0.12012 0.00000 -0.42802 0.00000 0.00000
51 17F-1 0.00000 0.00000 0.00000 -0.42802 0.00000
52 17F+2 0.00000 0.00000 0.00000 0.59048 0.00000
53 17F-2 -0.26818 0.00000 0.59048 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.91918 0.00000 0.00000 -0.87214
56 18F 0 0.00000 0.94601 0.00000 0.00000 0.97337
57 18F+1 -1.32816 0.00000 -1.42401 0.00000 0.00000
58 18F-1 0.00000 0.00000 0.00000 -1.42401 0.00000
59 18F+2 0.00000 0.00000 0.00000 -2.52661 0.00000
60 18F-2 0.39674 0.00000 -2.52661 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.17877 0.00000 0.00000 0.28369
63 19G 0 0.00000 0.02845 0.00000 0.00000 0.04662
64 19G+1 -0.03813 0.00000 0.02294 0.00000 0.00000
65 19G-1 0.00000 0.00000 0.00000 0.02294 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.04694 0.00000
67 19G-2 -0.04627 0.00000 -0.04694 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.07026 0.00000 0.00000 0.08543
70 19G+4 0.00000 0.00000 0.00000 -0.03680 0.00000
71 19G-4 0.06142 0.00000 0.03680 0.00000 0.00000
72 20G 0 0.00000 -0.58607 0.00000 0.00000 -0.50098
73 20G+1 0.80970 0.00000 -0.02941 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.00000 -0.02941 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.78318 0.00000
76 20G-2 0.59297 0.00000 0.78318 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -0.07649 0.00000 0.00000 -0.52479
79 20G+4 0.00000 0.00000 0.00000 0.82464 0.00000
80 20G-4 -1.37210 0.00000 -0.82464 0.00000 0.00000
81 21H 0 0.00000 0.03840 0.00000 0.00000 -0.00210
82 21H+1 -0.00538 0.00000 0.06995 0.00000 0.00000
83 21H-1 0.00000 0.00000 0.00000 0.06995 0.00000
84 21H+2 0.00000 0.00000 0.00000 0.00668 0.00000
85 21H-2 -0.03327 0.00000 0.00668 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.02565 0.00000 0.00000 -0.04159
88 21H+4 0.00000 0.00000 0.00000 -0.03992 0.00000
89 21H-4 0.11947 0.00000 0.03992 0.00000 0.00000
90 21H+5 -0.01151 0.00000 0.04523 0.00000 0.00000
91 21H-5 0.00000 0.00000 0.00000 -0.04523 0.00000
92 2 H 1S 0.00000 -0.00902 0.00000 0.00938 -0.02923
93 2S 0.00000 1.14731 0.00000 0.47065 0.59148
94 3S 0.00000 -10.72518 0.00000 1.01167 -4.00616
95 4S 0.00000 -7.33647 0.00000 -0.36161 0.62255
96 5S 0.00000 0.03119 0.00000 0.47831 -0.06925
97 6PX -0.07799 0.00000 -0.03681 0.00000 0.00000
98 6PY 0.00000 0.08748 0.00000 0.05819 -0.03348
99 6PZ 0.00000 0.00259 0.00000 -0.08840 -0.01298
100 7PX 0.74264 0.00000 0.35703 0.00000 0.00000
101 7PY 0.00000 -0.97113 0.00000 -0.52808 0.18837
102 7PZ 0.00000 0.06436 0.00000 0.85179 0.14679
103 8PX -2.39493 0.00000 -2.11932 0.00000 0.00000
104 8PY 0.00000 6.20051 0.00000 0.88870 1.54075
105 8PZ 0.00000 -1.23767 0.00000 -3.42322 -0.51512
106 9PX -1.00858 0.00000 0.18563 0.00000 0.00000
107 9PY 0.00000 3.64736 0.00000 0.70361 -0.17698
108 9PZ 0.00000 -0.64903 0.00000 -0.48454 -0.40259
109 10D 0 0.00000 -0.04470 0.00000 0.06898 -0.02045
110 10D+1 0.01723 0.00000 -0.00474 0.00000 0.00000
111 10D-1 0.00000 -0.02765 0.00000 -0.02093 0.02613
112 10D+2 0.00000 -0.00663 0.00000 0.02006 -0.07515
113 10D-2 0.02122 0.00000 -0.09808 0.00000 0.00000
114 11D 0 0.00000 0.38853 0.00000 -0.63120 0.23092
115 11D+1 -0.21856 0.00000 -0.00705 0.00000 0.00000
116 11D-1 0.00000 0.30649 0.00000 0.36185 -0.17138
117 11D+2 0.00000 0.20263 0.00000 -0.16419 0.63503
118 11D-2 0.05485 0.00000 0.89752 0.00000 0.00000
119 12D 0 0.00000 0.75663 0.00000 -0.05738 -0.06286
120 12D+1 -0.43732 0.00000 -0.52865 0.00000 0.00000
121 12D-1 0.00000 0.45805 0.00000 1.50977 0.29263
122 12D+2 0.00000 1.49304 0.00000 0.46873 -0.56240
123 12D-2 1.55995 0.00000 0.04812 0.00000 0.00000
124 13F 0 0.00000 0.03397 0.00000 0.03109 0.04892
125 13F+1 -0.00604 0.00000 0.02210 0.00000 0.00000
126 13F-1 0.00000 -0.04211 0.00000 0.05295 -0.02067
127 13F+2 0.00000 0.04124 0.00000 0.04682 0.02624
128 13F-2 0.04761 0.00000 0.01310 0.00000 0.00000
129 13F+3 0.04718 0.00000 0.05970 0.00000 0.00000
130 13F-3 0.00000 -0.06755 0.00000 -0.03177 -0.01920
131 14F 0 0.00000 0.01443 0.00000 -0.02928 -0.25854
132 14F+1 0.14577 0.00000 -0.09147 0.00000 0.00000
133 14F-1 0.00000 0.00008 0.00000 0.21528 0.13235
134 14F+2 0.00000 -0.06308 0.00000 0.28478 -0.12586
135 14F-2 0.16829 0.00000 0.17548 0.00000 0.00000
136 14F+3 0.46978 0.00000 -0.07157 0.00000 0.00000
137 14F-3 0.00000 0.02580 0.00000 0.11996 0.17696
138 15G 0 0.00000 -0.01137 0.00000 0.01842 0.00256
139 15G+1 0.01379 0.00000 0.00306 0.00000 0.00000
140 15G-1 0.00000 -0.01276 0.00000 0.00078 -0.00412
141 15G+2 0.00000 -0.01629 0.00000 0.02824 0.00030
142 15G-2 0.00403 0.00000 -0.00503 0.00000 0.00000
143 15G+3 0.03087 0.00000 0.01139 0.00000 0.00000
144 15G-3 0.00000 -0.01983 0.00000 -0.03327 -0.00714
145 15G+4 0.00000 -0.01539 0.00000 -0.01525 0.01138
146 15G-4 -0.04608 0.00000 -0.01899 0.00000 0.00000
147 3 H 1S 0.05298 -0.00902 0.00813 -0.00469 -0.02923
148 2S -0.50073 1.14731 0.40759 -0.23532 0.59148
149 3S -8.06892 -10.72518 0.87613 -0.50583 -4.00616
150 4S -3.47531 -7.33647 -0.31316 0.18080 0.62255
151 5S 0.30312 0.03119 0.41423 -0.23916 -0.06925
152 6PX -0.05179 0.07576 0.03444 -0.04114 -0.02900
153 6PY -0.01513 -0.04374 -0.04114 -0.01306 0.01674
154 6PZ 0.02167 0.00259 -0.07655 0.04420 -0.01298
155 7PX 0.43828 -0.84102 -0.30680 0.38327 0.16313
156 7PY 0.17572 0.48556 0.38327 0.13575 -0.09418
157 7PZ -0.09855 0.06436 0.73767 -0.42589 0.14679
158 8PX 1.69601 5.36980 0.13670 -1.30251 1.33433
159 8PY -2.36191 -3.10026 -1.30251 -1.36732 -0.77037
160 8PZ -2.42415 -1.23767 -2.96459 1.71161 -0.51512
161 9PX 0.78460 3.15871 0.57412 -0.22429 -0.15327
162 9PY -1.03529 -1.82368 -0.22429 0.31513 0.08849
163 9PZ -1.04021 -0.64903 -0.41962 0.24227 -0.40259
164 10D 0 0.00117 -0.04470 0.05974 -0.03449 -0.02045
165 10D+1 -0.02086 -0.02395 -0.01689 0.00701 0.02263
166 10D-1 0.02199 0.01383 0.00701 -0.00879 -0.01307
167 10D+2 0.02118 0.00332 -0.05116 -0.06854 0.03757
168 10D-2 -0.01547 -0.00574 -0.00947 -0.05116 -0.06508
169 11D 0 0.04655 0.38853 -0.54664 0.31560 0.23092
170 11D+1 0.58608 0.26543 0.26963 -0.15974 -0.14842
171 11D-1 -0.46456 -0.15325 -0.15974 0.08517 0.08569
172 11D+2 -0.26599 -0.10132 0.45973 0.63209 -0.31752
173 11D-2 0.51556 0.17548 0.10124 0.45973 0.54995
174 12D 0 -0.36146 0.75663 -0.04969 0.02869 -0.06286
175 12D+1 0.49669 0.39668 1.00017 -0.88266 0.25343
176 12D-1 -0.53925 -0.22902 -0.88266 -0.01905 -0.14632
177 12D+2 0.59944 -0.74652 -0.18213 0.15327 0.28120
178 12D-2 0.52169 1.29301 0.36358 -0.18213 -0.48705
179 13F 0 0.01680 0.03397 0.02692 -0.01554 0.04892
180 13F+1 0.02393 -0.03647 0.04524 -0.01336 -0.01790
181 13F-1 -0.01730 0.02105 -0.01336 0.02981 0.01033
182 13F+2 0.00762 -0.02062 -0.01460 0.02153 -0.01312
183 13F-2 0.03441 0.03571 0.03839 -0.01460 0.02272
184 13F+3 -0.02359 0.00000 -0.02985 -0.05170 0.00000
185 13F-3 0.02007 -0.06755 -0.02751 0.01588 -0.01920
186 14F 0 0.14618 0.01443 -0.02536 0.01464 -0.25854
187 14F+1 0.10616 0.00007 0.13859 -0.13283 0.11462
188 14F-1 0.02287 -0.00004 -0.13283 -0.01478 -0.06618
189 14F+2 -0.06815 0.03154 -0.04733 0.20281 0.06293
190 14F-2 0.28632 -0.05463 0.25745 -0.04733 -0.10900
191 14F+3 -0.23489 0.00000 0.03579 0.06198 0.00000
192 14F-3 -0.45910 0.02580 0.10389 -0.05998 0.17696
193 15G 0 0.00680 -0.01137 0.01595 -0.00921 0.00256
194 15G+1 0.00414 -0.01105 0.00135 0.00099 -0.00357
195 15G-1 0.00557 0.00638 0.00099 0.00249 0.00206
196 15G+2 -0.00472 0.00815 -0.01441 0.00329 -0.00015
197 15G-2 0.01220 -0.01411 0.01992 -0.01441 0.00026
198 15G+3 -0.01543 0.00000 -0.00570 -0.00987 0.00000
199 15G-3 -0.01771 -0.01983 -0.02881 0.01663 -0.00714
200 15G+4 0.02118 0.00770 0.01483 0.01043 -0.00569
201 15G-4 -0.00939 0.01333 0.00669 -0.01483 -0.00986
202 4 H 1S -0.05298 -0.00902 -0.00813 -0.00469 -0.02923
203 2S 0.50073 1.14731 -0.40759 -0.23532 0.59148
204 3S 8.06892 -10.72518 -0.87613 -0.50583 -4.00616
205 4S 3.47531 -7.33647 0.31316 0.18080 0.62255
206 5S -0.30312 0.03119 -0.41423 -0.23916 -0.06925
207 6PX -0.05179 -0.07576 0.03444 0.04114 0.02900
208 6PY 0.01513 -0.04374 0.04114 -0.01306 0.01674
209 6PZ -0.02167 0.00259 0.07655 0.04420 -0.01298
210 7PX 0.43828 0.84102 -0.30680 -0.38327 -0.16313
211 7PY -0.17572 0.48556 -0.38327 0.13575 -0.09418
212 7PZ 0.09855 0.06436 -0.73767 -0.42589 0.14679
213 8PX 1.69601 -5.36980 0.13670 1.30251 -1.33433
214 8PY 2.36191 -3.10026 1.30251 -1.36732 -0.77037
215 8PZ 2.42415 -1.23767 2.96459 1.71161 -0.51512
216 9PX 0.78460 -3.15871 0.57412 0.22429 0.15327
217 9PY 1.03529 -1.82368 0.22429 0.31513 0.08849
218 9PZ 1.04021 -0.64903 0.41962 0.24227 -0.40259
219 10D 0 -0.00117 -0.04470 -0.05974 -0.03449 -0.02045
220 10D+1 -0.02086 0.02395 -0.01689 -0.00701 -0.02263
221 10D-1 -0.02199 0.01383 -0.00701 -0.00879 -0.01307
222 10D+2 -0.02118 0.00332 0.05116 -0.06854 0.03757
223 10D-2 -0.01547 0.00574 -0.00947 0.05116 0.06508
224 11D 0 -0.04655 0.38853 0.54664 0.31560 0.23092
225 11D+1 0.58608 -0.26543 0.26963 0.15974 0.14842
226 11D-1 0.46456 -0.15325 0.15974 0.08517 0.08569
227 11D+2 0.26599 -0.10132 -0.45973 0.63209 -0.31752
228 11D-2 0.51556 -0.17548 0.10124 -0.45973 -0.54995
229 12D 0 0.36146 0.75663 0.04969 0.02869 -0.06286
230 12D+1 0.49669 -0.39668 1.00017 0.88266 -0.25343
231 12D-1 0.53925 -0.22902 0.88266 -0.01905 -0.14632
232 12D+2 -0.59944 -0.74652 0.18213 0.15327 0.28120
233 12D-2 0.52169 -1.29301 0.36358 0.18213 0.48705
234 13F 0 -0.01680 0.03397 -0.02692 -0.01554 0.04892
235 13F+1 0.02393 0.03647 0.04524 0.01336 0.01790
236 13F-1 0.01730 0.02105 0.01336 0.02981 0.01033
237 13F+2 -0.00762 -0.02062 0.01460 0.02153 -0.01312
238 13F-2 0.03441 -0.03571 0.03839 0.01460 -0.02272
239 13F+3 -0.02359 0.00000 -0.02985 0.05170 0.00000
240 13F-3 -0.02007 -0.06755 0.02751 0.01588 -0.01920
241 14F 0 -0.14618 0.01443 0.02536 0.01464 -0.25854
242 14F+1 0.10616 -0.00007 0.13859 0.13283 -0.11462
243 14F-1 -0.02287 -0.00004 0.13283 -0.01478 -0.06618
244 14F+2 0.06815 0.03154 0.04733 0.20281 0.06293
245 14F-2 0.28632 0.05463 0.25745 0.04733 0.10900
246 14F+3 -0.23489 0.00000 0.03579 -0.06198 0.00000
247 14F-3 0.45910 0.02580 -0.10389 -0.05998 0.17696
248 15G 0 -0.00680 -0.01137 -0.01595 -0.00921 0.00256
249 15G+1 0.00414 0.01105 0.00135 -0.00099 0.00357
250 15G-1 -0.00557 0.00638 -0.00099 0.00249 0.00206
251 15G+2 0.00472 0.00815 0.01441 0.00329 -0.00015
252 15G-2 0.01220 0.01411 0.01992 0.01441 -0.00026
253 15G+3 -0.01543 0.00000 -0.00570 0.00987 0.00000
254 15G-3 0.01771 -0.01983 0.02881 0.01663 -0.00714
255 15G+4 -0.02118 0.00770 -0.01483 0.01043 -0.00569
256 15G-4 -0.00939 -0.01333 0.00669 0.01483 0.00986
116 117 118 119 120
(A2)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 6.18665 6.20051 6.20051 6.28187 6.56452
1 1 N 1S 0.00000 0.00000 0.00000 -0.14838 -0.03855
2 2S 0.00000 0.00000 0.00000 0.26226 -0.01847
3 3S 0.00000 0.00000 0.00000 -0.65923 -0.59903
4 4S 0.00000 0.00000 0.00000 -2.33592 -0.53081
5 5S 0.00000 0.00000 0.00000 36.95018 21.47214
6 6S 0.00000 0.00000 0.00000 9.46004 8.33938
7 7PX 0.00000 0.00000 -0.00130 0.00000 0.00000
8 7PY 0.00000 -0.00130 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 -0.02486 0.01938
10 8PX 0.00000 0.00000 0.47987 0.00000 0.00000
11 8PY 0.00000 0.47987 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 1.07339 0.81254
13 9PX 0.00000 0.00000 -2.72897 0.00000 0.00000
14 9PY 0.00000 -2.72897 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 -8.18770 -5.82641
16 10PX 0.00000 0.00000 -0.61136 0.00000 0.00000
17 10PY 0.00000 -0.61136 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 -7.98244 -4.93489
19 11PX 0.00000 0.00000 0.06489 0.00000 0.00000
20 11PY 0.00000 0.06489 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 -0.56788 -0.74128
22 12D 0 0.00000 0.00000 0.00000 0.01035 0.02243
23 12D+1 0.00000 0.00000 0.01129 0.00000 0.00000
24 12D-1 0.00000 0.01129 0.00000 0.00000 0.00000
25 12D+2 0.00000 0.00906 0.00000 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00906 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.10856 -0.06413
28 13D+1 0.00000 0.00000 -0.14237 0.00000 0.00000
29 13D-1 0.00000 -0.14237 0.00000 0.00000 0.00000
30 13D+2 0.00000 -0.12994 0.00000 0.00000 0.00000
31 13D-2 0.00000 0.00000 -0.12994 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 -3.23699 0.11298
33 14D+1 0.00000 0.00000 -0.89541 0.00000 0.00000
34 14D-1 0.00000 -0.89541 0.00000 0.00000 0.00000
35 14D+2 0.00000 4.72874 0.00000 0.00000 0.00000
36 14D-2 0.00000 0.00000 4.72874 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 -1.20289 -0.82949
38 15D+1 0.00000 0.00000 -1.74232 0.00000 0.00000
39 15D-1 0.00000 -1.74232 0.00000 0.00000 0.00000
40 15D+2 0.00000 2.19657 0.00000 0.00000 0.00000
41 15D-2 0.00000 0.00000 2.19657 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 -0.14146 0.01154
43 16F+1 0.00000 0.00000 -0.03355 0.00000 0.00000
44 16F-1 0.00000 -0.03355 0.00000 0.00000 0.00000
45 16F+2 0.00000 0.01428 0.00000 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.01428 0.00000 0.00000
47 16F+3 -0.07938 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.13082 0.04133
49 17F 0 0.00000 0.00000 0.00000 1.46391 0.00705
50 17F+1 0.00000 0.00000 0.13085 0.00000 0.00000
51 17F-1 0.00000 0.13085 0.00000 0.00000 0.00000
52 17F+2 0.00000 -0.09021 0.00000 0.00000 0.00000
53 17F-2 0.00000 0.00000 -0.09021 0.00000 0.00000
54 17F+3 0.38642 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -1.46301 -0.65515
56 18F 0 0.00000 0.00000 0.00000 1.54018 0.60520
57 18F+1 0.00000 0.00000 1.64958 0.00000 0.00000
58 18F-1 0.00000 1.64958 0.00000 0.00000 0.00000
59 18F+2 0.00000 -0.30716 0.00000 0.00000 0.00000
60 18F-2 0.00000 0.00000 -0.30716 0.00000 0.00000
61 18F+3 3.75945 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 -1.57069 -2.72135
63 19G 0 0.00000 0.00000 0.00000 -0.01062 -0.00746
64 19G+1 0.00000 0.00000 0.01706 0.00000 0.00000
65 19G-1 0.00000 0.01706 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.03279 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.03279 0.00000 0.00000
68 19G+3 0.14606 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.10121 -0.08339
70 19G+4 0.00000 0.00478 0.00000 0.00000 0.00000
71 19G-4 0.00000 0.00000 -0.00478 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 -0.18670 -0.16184
73 20G+1 0.00000 0.00000 -0.29789 0.00000 0.00000
74 20G-1 0.00000 -0.29789 0.00000 0.00000 0.00000
75 20G+2 0.00000 -0.88901 0.00000 0.00000 0.00000
76 20G-2 0.00000 0.00000 -0.88901 0.00000 0.00000
77 20G+3 -2.34070 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.47825 1.65075
79 20G+4 0.00000 0.07351 0.00000 0.00000 0.00000
80 20G-4 0.00000 0.00000 -0.07351 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 -0.04240 0.02027
82 21H+1 0.00000 0.00000 -0.06900 0.00000 0.00000
83 21H-1 0.00000 -0.06900 0.00000 0.00000 0.00000
84 21H+2 0.00000 0.10622 0.00000 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.10622 0.00000 0.00000
86 21H+3 0.09636 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 -0.02034 -0.07403
88 21H+4 0.00000 -0.05516 0.00000 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.05516 0.00000 0.00000
90 21H+5 0.00000 0.00000 0.13321 0.00000 0.00000
91 21H-5 0.00000 -0.13321 0.00000 0.00000 0.00000
92 2 H 1S 0.00000 0.00116 0.00000 -0.01046 0.05348
93 2S 0.00000 0.06473 0.00000 0.60127 -0.68960
94 3S 0.00000 3.70982 0.00000 -13.57774 -6.71578
95 4S 0.00000 1.58441 0.00000 -4.25237 -4.14422
96 5S 0.00000 0.04012 0.00000 -0.14177 -0.02721
97 6PX 0.04330 0.00000 -0.14120 0.00000 0.00000
98 6PY 0.00000 0.09320 0.00000 -0.05998 0.00716
99 6PZ 0.00000 0.08691 0.00000 0.04244 -0.01518
100 7PX -0.53562 0.00000 1.19877 0.00000 0.00000
101 7PY 0.00000 -0.74135 0.00000 0.10973 -0.17417
102 7PZ 0.00000 -0.83348 0.00000 -0.18400 0.12491
103 8PX 3.61782 0.00000 -2.89211 0.00000 0.00000
104 8PY 0.00000 -0.62651 0.00000 6.68263 3.72875
105 8PZ 0.00000 4.06901 0.00000 -2.52365 -1.21454
106 9PX 0.86685 0.00000 -1.03742 0.00000 0.00000
107 9PY 0.00000 -1.00887 0.00000 2.37130 1.90804
108 9PZ 0.00000 1.18321 0.00000 -0.75477 -0.58786
109 10D 0 0.00000 -0.05279 0.00000 -0.07625 0.01791
110 10D+1 0.01889 0.00000 0.09574 0.00000 0.00000
111 10D-1 0.00000 0.08584 0.00000 -0.12769 0.03106
112 10D+2 0.00000 -0.02773 0.00000 -0.12112 -0.07103
113 10D-2 0.05631 0.00000 -0.06899 0.00000 0.00000
114 11D 0 0.00000 0.38048 0.00000 0.71447 0.07327
115 11D+1 0.01724 0.00000 -0.69673 0.00000 0.00000
116 11D-1 0.00000 -0.98318 0.00000 1.38539 -0.00895
117 11D+2 0.00000 0.03869 0.00000 1.38588 0.92784
118 11D-2 -0.78664 0.00000 0.47621 0.00000 0.00000
119 12D 0 0.00000 0.67131 0.00000 0.35390 0.21893
120 12D+1 0.68708 0.00000 -0.36135 0.00000 0.00000
121 12D-1 0.00000 -1.43376 0.00000 0.45660 0.36108
122 12D+2 0.00000 -0.07147 0.00000 0.69486 1.12165
123 12D-2 -1.60774 0.00000 1.35291 0.00000 0.00000
124 13F 0 0.00000 -0.02784 0.00000 0.02384 0.02065
125 13F+1 0.00456 0.00000 0.01372 0.00000 0.00000
126 13F-1 0.00000 -0.02657 0.00000 0.00033 -0.03602
127 13F+2 0.00000 -0.02770 0.00000 0.04656 0.01357
128 13F-2 -0.05401 0.00000 -0.01586 0.00000 0.00000
129 13F+3 -0.07200 0.00000 0.01129 0.00000 0.00000
130 13F-3 0.00000 0.00263 0.00000 -0.05749 0.03366
131 14F 0 0.00000 -0.16640 0.00000 0.30680 -0.13398
132 14F+1 -0.25452 0.00000 -0.18448 0.00000 0.00000
133 14F-1 0.00000 -0.53445 0.00000 -0.11596 -0.09205
134 14F+2 0.00000 -0.44034 0.00000 0.27054 0.16480
135 14F-2 0.01809 0.00000 0.68916 0.00000 0.00000
136 14F+3 -0.53590 0.00000 0.51021 0.00000 0.00000
137 14F-3 0.00000 -0.21657 0.00000 -0.15630 -0.82930
138 15G 0 0.00000 -0.03337 0.00000 0.00637 -0.01058
139 15G+1 -0.01325 0.00000 0.00309 0.00000 0.00000
140 15G-1 0.00000 0.00542 0.00000 -0.01838 -0.01235
141 15G+2 0.00000 -0.03223 0.00000 0.00194 -0.01117
142 15G-2 0.02838 0.00000 0.01287 0.00000 0.00000
143 15G+3 -0.01795 0.00000 0.03671 0.00000 0.00000
144 15G-3 0.00000 0.01239 0.00000 -0.02289 -0.01202
145 15G+4 0.00000 -0.01363 0.00000 -0.01459 -0.01933
146 15G-4 0.05173 0.00000 -0.02579 0.00000 0.00000
147 3 H 1S 0.00000 -0.00058 0.00101 -0.01046 0.05348
148 2S 0.00000 -0.03237 0.05606 0.60127 -0.68960
149 3S 0.00000 -1.85491 3.21279 -13.57774 -6.71578
150 4S 0.00000 -0.79220 1.37214 -4.25237 -4.14422
151 5S 0.00000 -0.02006 0.03475 -0.14177 -0.02721
152 6PX -0.02165 -0.10150 0.03460 -0.05194 0.00620
153 6PY -0.03750 -0.08260 -0.10150 0.02999 -0.00358
154 6PZ 0.00000 -0.04345 0.07527 0.04244 -0.01518
155 7PX 0.26781 0.84010 -0.25632 0.09503 -0.15084
156 7PY 0.46386 0.71374 0.84010 -0.05486 0.08709
157 7PZ 0.00000 0.41674 -0.72182 -0.18400 0.12491
158 8PX -1.80891 -0.98103 -1.19291 5.78733 3.22920
159 8PY -3.13313 -2.32571 -0.98103 -3.34132 -1.86438
160 8PZ 0.00000 -2.03451 3.52387 -2.52365 -1.21454
161 9PX -0.43342 -0.01236 -1.01601 2.05360 1.65241
162 9PY -0.75071 -1.03029 -0.01236 -1.18565 -0.95402
163 9PZ 0.00000 -0.59160 1.02469 -0.75477 -0.58786
164 10D 0 0.00000 0.02639 -0.04571 -0.07625 0.01791
165 10D+1 -0.00945 0.00429 0.08831 -0.11058 0.02690
166 10D-1 -0.01636 0.09326 0.00429 0.06385 -0.01553
167 10D+2 -0.04876 -0.05868 -0.01787 0.06056 0.03552
168 10D-2 -0.02815 -0.01787 -0.03804 -0.10489 -0.06152
169 11D 0 0.00000 -0.19024 0.32951 0.71447 0.07327
170 11D+1 -0.00862 0.12403 -0.91156 1.19979 -0.00775
171 11D-1 -0.01493 -0.76834 0.12403 -0.69270 0.00448
172 11D+2 0.68125 0.36683 0.18945 -0.69294 -0.46392
173 11D-2 0.39332 0.18945 0.14807 1.20021 0.80353
174 12D 0 0.00000 -0.33565 0.58137 0.35390 0.21893
175 12D+1 -0.34354 0.46437 -1.16566 0.39543 0.31270
176 12D-1 -0.59503 -0.62945 0.46437 -0.22830 -0.18054
177 12D+2 1.39234 0.99682 0.61677 -0.34743 -0.56083
178 12D-2 0.80387 0.61677 0.28463 0.60176 0.97138
179 13F 0 0.00000 0.01392 -0.02411 0.02384 0.02065
180 13F+1 -0.00228 0.01745 -0.01650 0.00029 -0.03120
181 13F-1 -0.00395 0.00365 0.01745 -0.00016 0.01801
182 13F+2 0.04678 -0.01882 0.00513 -0.02328 -0.00678
183 13F-2 0.02701 0.00513 -0.02474 0.04032 0.01175
184 13F+3 -0.07200 -0.00978 -0.00564 0.00000 0.00000
185 13F-3 0.00000 -0.00131 0.00228 -0.05749 0.03366
186 14F 0 0.00000 0.08320 -0.14411 0.30680 -0.13398
187 14F+1 0.12726 0.15154 -0.44696 -0.10043 -0.07972
188 14F-1 0.22042 -0.27197 0.15154 0.05798 0.04603
189 14F+2 -0.01567 0.40679 0.48909 -0.13527 -0.08240
190 14F-2 -0.00905 0.48909 -0.15796 0.23429 0.14272
191 14F+3 -0.53590 -0.44185 -0.25510 0.00000 0.00000
192 14F-3 0.00000 0.10828 -0.18755 -0.15630 -0.82930
193 15G 0 0.00000 0.01669 -0.02890 0.00637 -0.01058
194 15G+1 0.00662 -0.00101 0.00484 -0.01592 -0.01070
195 15G-1 0.01147 0.00368 -0.00101 0.00919 0.00618
196 15G+2 -0.02458 0.00160 0.01953 -0.00097 0.00558
197 15G-2 -0.01419 0.01953 -0.02095 0.00168 -0.00967
198 15G+3 -0.01795 -0.03179 -0.01836 0.00000 0.00000
199 15G-3 0.00000 -0.00620 0.01073 -0.02289 -0.01202
200 15G+4 0.04480 0.01594 0.01707 0.00729 0.00967
201 15G-4 -0.02586 -0.01707 0.00377 0.01263 0.01674
202 4 H 1S 0.00000 -0.00058 -0.00101 -0.01046 0.05348
203 2S 0.00000 -0.03237 -0.05606 0.60127 -0.68960
204 3S 0.00000 -1.85491 -3.21279 -13.57774 -6.71578
205 4S 0.00000 -0.79220 -1.37214 -4.25237 -4.14422
206 5S 0.00000 -0.02006 -0.03475 -0.14177 -0.02721
207 6PX -0.02165 0.10150 0.03460 0.05194 -0.00620
208 6PY 0.03750 -0.08260 0.10150 0.02999 -0.00358
209 6PZ 0.00000 -0.04345 -0.07527 0.04244 -0.01518
210 7PX 0.26781 -0.84010 -0.25632 -0.09503 0.15084
211 7PY -0.46386 0.71374 -0.84010 -0.05486 0.08709
212 7PZ 0.00000 0.41674 0.72182 -0.18400 0.12491
213 8PX -1.80891 0.98103 -1.19291 -5.78733 -3.22920
214 8PY 3.13313 -2.32571 0.98103 -3.34132 -1.86438
215 8PZ 0.00000 -2.03451 -3.52387 -2.52365 -1.21454
216 9PX -0.43342 0.01236 -1.01601 -2.05360 -1.65241
217 9PY 0.75071 -1.03029 0.01236 -1.18565 -0.95402
218 9PZ 0.00000 -0.59160 -1.02469 -0.75477 -0.58786
219 10D 0 0.00000 0.02639 0.04571 -0.07625 0.01791
220 10D+1 -0.00945 -0.00429 0.08831 0.11058 -0.02690
221 10D-1 0.01636 0.09326 -0.00429 0.06385 -0.01553
222 10D+2 0.04876 -0.05868 0.01787 0.06056 0.03552
223 10D-2 -0.02815 0.01787 -0.03804 0.10489 0.06152
224 11D 0 0.00000 -0.19024 -0.32951 0.71447 0.07327
225 11D+1 -0.00862 -0.12403 -0.91156 -1.19979 0.00775
226 11D-1 0.01493 -0.76834 -0.12403 -0.69270 0.00448
227 11D+2 -0.68125 0.36683 -0.18945 -0.69294 -0.46392
228 11D-2 0.39332 -0.18945 0.14807 -1.20021 -0.80353
229 12D 0 0.00000 -0.33565 -0.58137 0.35390 0.21893
230 12D+1 -0.34354 -0.46437 -1.16566 -0.39543 -0.31270
231 12D-1 0.59503 -0.62945 -0.46437 -0.22830 -0.18054
232 12D+2 -1.39234 0.99682 -0.61677 -0.34743 -0.56083
233 12D-2 0.80387 -0.61677 0.28463 -0.60176 -0.97138
234 13F 0 0.00000 0.01392 0.02411 0.02384 0.02065
235 13F+1 -0.00228 -0.01745 -0.01650 -0.00029 0.03120
236 13F-1 0.00395 0.00365 -0.01745 -0.00016 0.01801
237 13F+2 -0.04678 -0.01882 -0.00513 -0.02328 -0.00678
238 13F-2 0.02701 -0.00513 -0.02474 -0.04032 -0.01175
239 13F+3 -0.07200 0.00978 -0.00564 0.00000 0.00000
240 13F-3 0.00000 -0.00131 -0.00228 -0.05749 0.03366
241 14F 0 0.00000 0.08320 0.14411 0.30680 -0.13398
242 14F+1 0.12726 -0.15154 -0.44696 0.10043 0.07972
243 14F-1 -0.22042 -0.27197 -0.15154 0.05798 0.04603
244 14F+2 0.01567 0.40679 -0.48909 -0.13527 -0.08240
245 14F-2 -0.00905 -0.48909 -0.15796 -0.23429 -0.14272
246 14F+3 -0.53590 0.44185 -0.25510 0.00000 0.00000
247 14F-3 0.00000 0.10828 0.18755 -0.15630 -0.82930
248 15G 0 0.00000 0.01669 0.02890 0.00637 -0.01058
249 15G+1 0.00662 0.00101 0.00484 0.01592 0.01070
250 15G-1 -0.01147 0.00368 0.00101 0.00919 0.00618
251 15G+2 0.02458 0.00160 -0.01953 -0.00097 0.00558
252 15G-2 -0.01419 -0.01953 -0.02095 -0.00168 0.00967
253 15G+3 -0.01795 0.03179 -0.01836 0.00000 0.00000
254 15G-3 0.00000 -0.00620 -0.01073 -0.02289 -0.01202
255 15G+4 -0.04480 0.01594 -0.01707 0.00729 0.00967
256 15G-4 -0.02586 0.01707 0.00377 -0.01263 -0.01674
121 122 123 124 125
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 6.59572 6.59572 6.61698 6.93797 6.93797
1 1 N 1S 0.00000 0.00000 -0.00824 0.00000 0.00000
2 2S 0.00000 0.00000 0.01527 0.00000 0.00000
3 3S 0.00000 0.00000 -0.04623 0.00000 0.00000
4 4S 0.00000 0.00000 0.66069 0.00000 0.00000
5 5S 0.00000 0.00000 -0.29323 0.00000 0.00000
6 6S 0.00000 0.00000 0.24384 0.00000 0.00000
7 7PX 0.00000 -0.01631 0.00000 0.00000 -0.00810
8 7PY 0.01631 0.00000 0.00000 -0.00810 0.00000
9 7PZ 0.00000 0.00000 -0.00665 0.00000 0.00000
10 8PX 0.00000 -0.51468 0.00000 0.00000 0.59831
11 8PY 0.51468 0.00000 0.00000 0.59831 0.00000
12 8PZ 0.00000 0.00000 -0.57154 0.00000 0.00000
13 9PX 0.00000 5.34575 0.00000 0.00000 -6.78413
14 9PY -5.34575 0.00000 0.00000 -6.78413 0.00000
15 9PZ 0.00000 0.00000 3.16893 0.00000 0.00000
16 10PX 0.00000 1.81779 0.00000 0.00000 -5.92248
17 10PY -1.81779 0.00000 0.00000 -5.92248 0.00000
18 10PZ 0.00000 0.00000 2.08684 0.00000 0.00000
19 11PX 0.00000 -0.11459 0.00000 0.00000 -0.35785
20 11PY 0.11459 0.00000 0.00000 -0.35785 0.00000
21 11PZ 0.00000 0.00000 0.04367 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.01497 0.00000 0.00000
23 12D+1 0.00000 -0.00839 0.00000 0.00000 0.03737
24 12D-1 0.00839 0.00000 0.00000 0.03737 0.00000
25 12D+2 -0.02689 0.00000 0.00000 -0.03822 0.00000
26 12D-2 0.00000 0.02689 0.00000 0.00000 -0.03822
27 13D 0 0.00000 0.00000 -0.17441 0.00000 0.00000
28 13D+1 0.00000 0.28674 0.00000 0.00000 -0.86240
29 13D-1 -0.28674 0.00000 0.00000 -0.86240 0.00000
30 13D+2 0.04579 0.00000 0.00000 0.24970 0.00000
31 13D-2 0.00000 -0.04579 0.00000 0.00000 0.24970
32 14D 0 0.00000 0.00000 -2.09939 0.00000 0.00000
33 14D+1 0.00000 -2.35537 0.00000 0.00000 3.22773
34 14D-1 2.35537 0.00000 0.00000 3.22773 0.00000
35 14D+2 1.36849 0.00000 0.00000 3.07701 0.00000
36 14D-2 0.00000 -1.36849 0.00000 0.00000 3.07701
37 15D 0 0.00000 0.00000 -1.42614 0.00000 0.00000
38 15D+1 0.00000 0.33175 0.00000 0.00000 1.97094
39 15D-1 -0.33175 0.00000 0.00000 1.97094 0.00000
40 15D+2 1.04215 0.00000 0.00000 1.89793 0.00000
41 15D-2 0.00000 -1.04215 0.00000 0.00000 1.89793
42 16F 0 0.00000 0.00000 0.00220 0.00000 0.00000
43 16F+1 0.00000 0.00308 0.00000 0.00000 -0.02784
44 16F-1 -0.00308 0.00000 0.00000 -0.02784 0.00000
45 16F+2 0.04852 0.00000 0.00000 0.04275 0.00000
46 16F-2 0.00000 -0.04852 0.00000 0.00000 0.04275
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.03617 0.00000 0.00000
49 17F 0 0.00000 0.00000 -0.05597 0.00000 0.00000
50 17F+1 0.00000 -0.07428 0.00000 0.00000 0.46594
51 17F-1 0.07428 0.00000 0.00000 0.46594 0.00000
52 17F+2 -0.57264 0.00000 0.00000 -0.55409 0.00000
53 17F-2 0.00000 0.57264 0.00000 0.00000 -0.55409
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -0.23703 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.70302 0.00000 0.00000
57 18F+1 0.00000 -1.07266 0.00000 0.00000 -1.02733
58 18F-1 1.07266 0.00000 0.00000 -1.02733 0.00000
59 18F+2 -1.02868 0.00000 0.00000 -1.84368 0.00000
60 18F-2 0.00000 1.02868 0.00000 0.00000 -1.84368
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -0.45697 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.10164 0.00000 0.00000
64 19G+1 0.00000 -0.11239 0.00000 0.00000 -0.06531
65 19G-1 0.11239 0.00000 0.00000 -0.06531 0.00000
66 19G+2 -0.02391 0.00000 0.00000 -0.07869 0.00000
67 19G-2 0.00000 0.02391 0.00000 0.00000 -0.07869
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 -0.05342 0.00000 0.00000
70 19G+4 -0.05311 0.00000 0.00000 0.04095 0.00000
71 19G-4 0.00000 -0.05311 0.00000 0.00000 -0.04095
72 20G 0 0.00000 0.00000 -0.63233 0.00000 0.00000
73 20G+1 0.00000 1.58634 0.00000 0.00000 0.40248
74 20G-1 -1.58634 0.00000 0.00000 0.40248 0.00000
75 20G+2 0.43864 0.00000 0.00000 1.18852 0.00000
76 20G-2 0.00000 -0.43864 0.00000 0.00000 1.18852
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.36433 0.00000 0.00000
79 20G+4 0.41199 0.00000 0.00000 -0.90763 0.00000
80 20G-4 0.00000 0.41199 0.00000 0.00000 0.90763
81 21H 0 0.00000 0.00000 -0.03137 0.00000 0.00000
82 21H+1 0.00000 -0.03077 0.00000 0.00000 0.02711
83 21H-1 0.03077 0.00000 0.00000 0.02711 0.00000
84 21H+2 0.00888 0.00000 0.00000 -0.01210 0.00000
85 21H-2 0.00000 -0.00888 0.00000 0.00000 -0.01210
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.07450 0.00000 0.00000
88 21H+4 0.01253 0.00000 0.00000 0.02650 0.00000
89 21H-4 0.00000 0.01253 0.00000 0.00000 -0.02650
90 21H+5 0.00000 0.02249 0.00000 0.00000 0.00043
91 21H-5 0.02249 0.00000 0.00000 -0.00043 0.00000
92 2 H 1S -0.05166 0.00000 0.01748 -0.04155 0.00000
93 2S 0.26567 0.00000 -0.52098 -0.41551 0.00000
94 3S 5.36071 0.00000 0.20276 10.78046 0.00000
95 4S 2.26131 0.00000 -0.05939 3.79141 0.00000
96 5S -0.20644 0.00000 -0.01597 -0.14081 0.00000
97 6PX 0.00000 0.02459 0.00000 0.00000 -0.05726
98 6PY -0.01128 0.00000 -0.06822 -0.00941 0.00000
99 6PZ 0.02209 0.00000 -0.12082 0.02737 0.00000
100 7PX 0.00000 -0.21741 0.00000 0.00000 0.40266
101 7PY 0.25277 0.00000 0.59913 0.37923 0.00000
102 7PZ -0.20153 0.00000 0.97011 -0.20790 0.00000
103 8PX 0.00000 0.42509 0.00000 0.00000 -0.67229
104 8PY -3.63577 0.00000 -0.91610 -6.11040 0.00000
105 8PZ 1.68625 0.00000 -1.74443 1.21967 0.00000
106 9PX 0.00000 0.55566 0.00000 0.00000 -0.10855
107 9PY -1.50607 0.00000 -0.19500 -2.17388 0.00000
108 9PZ 0.51634 0.00000 -0.58032 0.52803 0.00000
109 10D 0 0.08441 0.00000 0.03556 -0.04380 0.00000
110 10D+1 0.00000 0.03935 0.00000 0.00000 -0.06920
111 10D-1 0.06491 0.00000 -0.03961 0.03939 0.00000
112 10D+2 -0.04778 0.00000 0.03955 0.08146 0.00000
113 10D-2 0.00000 -0.00811 0.00000 0.00000 -0.07187
114 11D 0 -0.82967 0.00000 -0.14854 -0.02103 0.00000
115 11D+1 0.00000 -0.31631 0.00000 0.00000 0.57342
116 11D-1 -0.77190 0.00000 0.25736 -0.54241 0.00000
117 11D+2 -0.06167 0.00000 -0.14702 -1.19099 0.00000
118 11D-2 0.00000 0.08875 0.00000 0.00000 0.39953
119 12D 0 -0.79561 0.00000 -0.48091 -0.62753 0.00000
120 12D+1 0.00000 -0.26387 0.00000 0.00000 -0.15236
121 12D-1 -0.70808 0.00000 0.96004 -0.46560 0.00000
122 12D+2 -0.91822 0.00000 -0.46439 -1.36023 0.00000
123 12D-2 0.00000 -0.47463 0.00000 0.00000 0.18825
124 13F 0 0.01731 0.00000 -0.01408 -0.01866 0.00000
125 13F+1 0.00000 -0.01610 0.00000 0.00000 -0.03212
126 13F-1 0.00370 0.00000 -0.02653 0.08925 0.00000
127 13F+2 -0.00304 0.00000 -0.04517 0.01005 0.00000
128 13F-2 0.00000 -0.04612 0.00000 0.00000 -0.01970
129 13F+3 0.00000 0.02961 0.00000 0.00000 -0.06059
130 13F-3 0.04604 0.00000 -0.02729 0.04625 0.00000
131 14F 0 -0.74713 0.00000 0.16624 0.01080 0.00000
132 14F+1 0.00000 0.05744 0.00000 0.00000 0.42763
133 14F-1 0.57737 0.00000 0.45806 -0.22110 0.00000
134 14F+2 -0.34664 0.00000 0.58691 -0.40658 0.00000
135 14F-2 0.00000 0.47005 0.00000 0.00000 -0.09581
136 14F+3 0.00000 -0.27771 0.00000 0.00000 0.31547
137 14F-3 -0.16661 0.00000 0.29993 0.51125 0.00000
138 15G 0 0.00487 0.00000 0.01177 0.00844 0.00000
139 15G+1 0.00000 -0.01025 0.00000 0.00000 -0.00694
140 15G-1 0.04948 0.00000 -0.00515 -0.00480 0.00000
141 15G+2 0.02311 0.00000 0.02223 0.02532 0.00000
142 15G-2 0.00000 0.00726 0.00000 0.00000 -0.01596
143 15G+3 0.00000 -0.00601 0.00000 0.00000 -0.03278
144 15G-3 0.00281 0.00000 0.01295 0.00445 0.00000
145 15G+4 -0.01360 0.00000 -0.01130 0.04293 0.00000
146 15G-4 0.00000 -0.00787 0.00000 0.00000 -0.00248
147 3 H 1S 0.02583 0.04474 0.01748 0.02077 -0.03598
148 2S -0.13283 -0.23007 -0.52098 0.20776 -0.35984
149 3S -2.68036 -4.64251 0.20276 -5.39023 9.33615
150 4S -1.13065 -1.95835 -0.05939 -1.89571 3.28346
151 5S 0.10322 0.17878 -0.01597 0.07041 -0.12195
152 6PX -0.00576 0.01461 -0.05908 -0.02072 -0.02138
153 6PY -0.02126 0.00576 0.03411 -0.04530 -0.02072
154 6PZ -0.01105 -0.01913 -0.12082 -0.01368 0.02370
155 7PX -0.01531 -0.24393 0.51886 0.01015 0.38509
156 7PY 0.22625 0.01531 -0.29956 0.39681 0.01015
157 7PZ 0.10076 0.17453 0.97011 0.10395 -0.18005
158 8PX 1.39026 2.83310 -0.79337 2.35477 -4.75087
159 8PY -1.22776 -1.39026 0.45805 -2.03181 2.35477
160 8PZ -0.84312 -1.46033 -1.74443 -0.60984 1.05627
161 9PX 0.41154 1.26847 -0.16888 0.89431 -1.65755
162 9PY -0.79326 -0.41154 0.09750 -0.62489 0.89431
163 9PZ -0.25817 -0.44716 -0.58032 -0.26401 0.45729
164 10D 0 -0.04220 -0.07310 0.03556 0.02190 -0.03793
165 10D+1 -0.04515 -0.03885 -0.03430 -0.04702 0.01224
166 10D-1 -0.01328 0.04515 0.01980 -0.04205 -0.04702
167 10D+2 -0.00586 -0.02420 -0.01977 -0.03354 -0.06639
168 10D-2 0.02420 0.03380 0.03425 -0.06639 0.04313
169 11D 0 0.41483 0.71851 -0.14854 0.01051 -0.01821
170 11D+1 0.47121 0.49985 0.22288 0.48317 -0.26346
171 11D-1 0.04425 -0.47121 -0.12868 0.29446 0.48317
172 11D+2 -0.08198 0.01172 0.07351 0.00190 0.68871
173 11D-2 -0.01172 0.06844 -0.12732 0.68871 -0.79336
174 12D 0 0.39780 0.68902 -0.48091 0.31377 -0.54346
175 12D+1 0.42087 0.46509 0.83142 0.13564 -0.38729
176 12D-1 0.02088 -0.42087 -0.48002 -0.23067 0.13564
177 12D+2 0.12641 -0.60312 0.23220 -0.19887 0.67051
178 12D-2 0.60312 0.57001 -0.40217 0.67051 -0.97311
179 13F 0 -0.00865 -0.01499 -0.01408 0.00933 -0.01616
180 13F+1 0.00537 -0.00680 -0.02298 -0.05255 0.05891
181 13F-1 0.01300 -0.00537 0.01327 -0.00177 -0.05255
182 13F+2 0.03383 -0.02129 0.02259 -0.01226 -0.01288
183 13F-2 0.02129 -0.00925 -0.03912 -0.01288 0.00261
184 13F+3 0.02564 -0.01480 0.00000 0.05247 0.03030
185 13F-3 -0.02302 -0.03987 -0.02729 -0.02313 0.04006
186 14F 0 0.37356 0.64703 0.16624 -0.00540 0.00935
187 14F+1 -0.27488 -0.41866 0.39669 0.28091 -0.05892
188 14F-1 0.10126 0.27488 -0.22903 0.26545 0.28091
189 14F+2 -0.43920 0.05344 -0.29345 -0.17350 0.13456
190 14F-2 -0.05344 0.37749 0.50828 0.13456 -0.32889
191 14F+3 -0.24051 0.13886 0.00000 -0.27320 -0.15773
192 14F-3 0.08331 0.14429 0.29993 -0.25562 0.44276
193 15G 0 -0.00243 -0.00422 0.01177 -0.00422 0.00731
194 15G+1 -0.01698 -0.03967 -0.00446 -0.00092 -0.00534
195 15G-1 0.02006 0.01698 0.00258 -0.00641 -0.00092
196 15G+2 0.00034 0.01315 -0.01112 -0.00564 -0.01787
197 15G-2 -0.01315 -0.01552 0.01926 -0.01787 0.01500
198 15G+3 -0.00520 0.00300 0.00000 0.02839 0.01639
199 15G-3 -0.00141 -0.00243 0.01295 -0.00223 0.00386
200 15G+4 -0.00930 -0.00248 0.00565 0.01259 -0.01752
201 15G-4 -0.00248 -0.01217 0.00979 0.01752 -0.03282
202 4 H 1S 0.02583 -0.04474 0.01748 0.02077 0.03598
203 2S -0.13283 0.23007 -0.52098 0.20776 0.35984
204 3S -2.68036 4.64251 0.20276 -5.39023 -9.33615
205 4S -1.13065 1.95835 -0.05939 -1.89571 -3.28346
206 5S 0.10322 -0.17878 -0.01597 0.07041 0.12195
207 6PX 0.00576 0.01461 0.05908 0.02072 -0.02138
208 6PY -0.02126 -0.00576 0.03411 -0.04530 0.02072
209 6PZ -0.01105 0.01913 -0.12082 -0.01368 -0.02370
210 7PX 0.01531 -0.24393 -0.51886 -0.01015 0.38509
211 7PY 0.22625 -0.01531 -0.29956 0.39681 -0.01015
212 7PZ 0.10076 -0.17453 0.97011 0.10395 0.18005
213 8PX -1.39026 2.83310 0.79337 -2.35477 -4.75087
214 8PY -1.22776 1.39026 0.45805 -2.03181 -2.35477
215 8PZ -0.84312 1.46033 -1.74443 -0.60984 -1.05627
216 9PX -0.41154 1.26847 0.16888 -0.89431 -1.65755
217 9PY -0.79326 0.41154 0.09750 -0.62489 -0.89431
218 9PZ -0.25817 0.44716 -0.58032 -0.26401 -0.45729
219 10D 0 -0.04220 0.07310 0.03556 0.02190 0.03793
220 10D+1 0.04515 -0.03885 0.03430 0.04702 0.01224
221 10D-1 -0.01328 -0.04515 0.01980 -0.04205 0.04702
222 10D+2 -0.00586 0.02420 -0.01977 -0.03354 0.06639
223 10D-2 -0.02420 0.03380 -0.03425 0.06639 0.04313
224 11D 0 0.41483 -0.71851 -0.14854 0.01051 0.01821
225 11D+1 -0.47121 0.49985 -0.22288 -0.48317 -0.26346
226 11D-1 0.04425 0.47121 -0.12868 0.29446 -0.48317
227 11D+2 -0.08198 -0.01172 0.07351 0.00190 -0.68871
228 11D-2 0.01172 0.06844 0.12732 -0.68871 -0.79336
229 12D 0 0.39780 -0.68902 -0.48091 0.31377 0.54346
230 12D+1 -0.42087 0.46509 -0.83142 -0.13564 -0.38729
231 12D-1 0.02088 0.42087 -0.48002 -0.23067 -0.13564
232 12D+2 0.12641 0.60312 0.23220 -0.19887 -0.67051
233 12D-2 -0.60312 0.57001 0.40217 -0.67051 -0.97311
234 13F 0 -0.00865 0.01499 -0.01408 0.00933 0.01616
235 13F+1 -0.00537 -0.00680 0.02298 0.05255 0.05891
236 13F-1 0.01300 0.00537 0.01327 -0.00177 0.05255
237 13F+2 0.03383 0.02129 0.02259 -0.01226 0.01288
238 13F-2 -0.02129 -0.00925 0.03912 0.01288 0.00261
239 13F+3 -0.02564 -0.01480 0.00000 -0.05247 0.03030
240 13F-3 -0.02302 0.03987 -0.02729 -0.02313 -0.04006
241 14F 0 0.37356 -0.64703 0.16624 -0.00540 -0.00935
242 14F+1 0.27488 -0.41866 -0.39669 -0.28091 -0.05892
243 14F-1 0.10126 -0.27488 -0.22903 0.26545 -0.28091
244 14F+2 -0.43920 -0.05344 -0.29345 -0.17350 -0.13456
245 14F-2 0.05344 0.37749 -0.50828 -0.13456 -0.32889
246 14F+3 0.24051 0.13886 0.00000 0.27320 -0.15773
247 14F-3 0.08331 -0.14429 0.29993 -0.25562 -0.44276
248 15G 0 -0.00243 0.00422 0.01177 -0.00422 -0.00731
249 15G+1 0.01698 -0.03967 0.00446 0.00092 -0.00534
250 15G-1 0.02006 -0.01698 0.00258 -0.00641 0.00092
251 15G+2 0.00034 -0.01315 -0.01112 -0.00564 0.01787
252 15G-2 0.01315 -0.01552 -0.01926 0.01787 0.01500
253 15G+3 0.00520 0.00300 0.00000 -0.02839 0.01639
254 15G-3 -0.00141 0.00243 0.01295 -0.00223 -0.00386
255 15G+4 -0.00930 0.00248 0.00565 0.01259 0.01752
256 15G-4 0.00248 -0.01217 -0.00979 -0.01752 -0.03282
126 127 128 129 130
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 6.95993 6.95993 7.14656 7.14656 7.38448
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 0.01749
2 2S 0.00000 0.00000 0.00000 0.00000 -0.17178
3 3S 0.00000 0.00000 0.00000 0.00000 -0.32080
4 4S 0.00000 0.00000 0.00000 0.00000 -3.56112
5 5S 0.00000 0.00000 0.00000 0.00000 19.89383
6 6S 0.00000 0.00000 0.00000 0.00000 5.64536
7 7PX 0.00000 0.00913 0.00000 0.02872 0.00000
8 7PY 0.00913 0.00000 0.02872 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.12456
10 8PX 0.00000 2.95232 0.00000 0.44247 0.00000
11 8PY 2.95232 0.00000 0.44247 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 1.00798
13 9PX 0.00000 -22.14301 0.00000 -2.36863 0.00000
14 9PY -22.14301 0.00000 -2.36863 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -4.61653
16 10PX 0.00000 -17.42132 0.00000 0.84252 0.00000
17 10PY -17.42132 0.00000 0.84252 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -3.03135
19 11PX 0.00000 -1.13772 0.00000 -0.06378 0.00000
20 11PY -1.13772 0.00000 -0.06378 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.28809
22 12D 0 0.00000 0.00000 0.00000 0.00000 -0.08064
23 12D+1 0.00000 -0.01852 0.00000 -0.00544 0.00000
24 12D-1 -0.01852 0.00000 -0.00544 0.00000 0.00000
25 12D+2 0.02422 0.00000 0.01772 0.00000 0.00000
26 12D-2 0.00000 0.02422 0.00000 0.01772 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 1.39258
28 13D+1 0.00000 -0.20159 0.00000 0.02195 0.00000
29 13D-1 -0.20159 0.00000 0.02195 0.00000 0.00000
30 13D+2 -1.10759 0.00000 -0.46148 0.00000 0.00000
31 13D-2 0.00000 -1.10759 0.00000 -0.46148 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 -2.06271
33 14D+1 0.00000 7.69885 0.00000 2.40959 0.00000
34 14D-1 7.69885 0.00000 2.40959 0.00000 0.00000
35 14D+2 8.95113 0.00000 2.43510 0.00000 0.00000
36 14D-2 0.00000 8.95113 0.00000 2.43510 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 -1.41522
38 15D+1 0.00000 3.68908 0.00000 -0.07277 0.00000
39 15D-1 3.68908 0.00000 -0.07277 0.00000 0.00000
40 15D+2 4.60845 0.00000 0.72381 0.00000 0.00000
41 15D-2 0.00000 4.60845 0.00000 0.72381 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 -0.06606
43 16F+1 0.00000 -0.03564 0.00000 0.05649 0.00000
44 16F-1 -0.03564 0.00000 0.05649 0.00000 0.00000
45 16F+2 0.07557 0.00000 0.08303 0.00000 0.00000
46 16F-2 0.00000 0.07557 0.00000 0.08303 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 -0.02867
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.68416
50 17F+1 0.00000 0.36297 0.00000 -0.51115 0.00000
51 17F-1 0.36297 0.00000 -0.51115 0.00000 0.00000
52 17F+2 -0.89382 0.00000 -0.74312 0.00000 0.00000
53 17F-2 0.00000 -0.89382 0.00000 -0.74312 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.31353
56 18F 0 0.00000 0.00000 0.00000 0.00000 1.31730
57 18F+1 0.00000 0.19397 0.00000 -0.28855 0.00000
58 18F-1 0.19397 0.00000 -0.28855 0.00000 0.00000
59 18F+2 -2.01344 0.00000 -0.83415 0.00000 0.00000
60 18F-2 0.00000 -2.01344 0.00000 -0.83415 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 -1.10696
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.03546
64 19G+1 0.00000 -0.09267 0.00000 0.00716 0.00000
65 19G-1 -0.09267 0.00000 0.00716 0.00000 0.00000
66 19G+2 -0.00361 0.00000 0.04769 0.00000 0.00000
67 19G-2 0.00000 -0.00361 0.00000 0.04769 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 -0.00844
70 19G+4 -0.07611 0.00000 0.08158 0.00000 0.00000
71 19G-4 0.00000 0.07611 0.00000 -0.08158 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 -0.43780
73 20G+1 0.00000 -0.10873 0.00000 -0.17076 0.00000
74 20G-1 -0.10873 0.00000 -0.17076 0.00000 0.00000
75 20G+2 -0.04881 0.00000 -0.13824 0.00000 0.00000
76 20G-2 0.00000 -0.04881 0.00000 -0.13824 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.34701
79 20G+4 -0.31595 0.00000 -0.77843 0.00000 0.00000
80 20G-4 0.00000 0.31595 0.00000 0.77843 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00486
82 21H+1 0.00000 0.01992 0.00000 0.07436 0.00000
83 21H-1 0.01992 0.00000 0.07436 0.00000 0.00000
84 21H+2 0.07045 0.00000 0.00041 0.00000 0.00000
85 21H-2 0.00000 0.07045 0.00000 0.00041 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 -0.00319
88 21H+4 0.09745 0.00000 -0.00919 0.00000 0.00000
89 21H-4 0.00000 -0.09745 0.00000 0.00919 0.00000
90 21H+5 0.00000 0.07036 0.00000 0.03362 0.00000
91 21H-5 -0.07036 0.00000 -0.03362 0.00000 0.00000
92 2 H 1S 0.01253 0.00000 -0.04734 0.00000 -0.00058
93 2S -1.79956 0.00000 0.34577 0.00000 -0.00557
94 3S 28.81461 0.00000 3.59952 0.00000 -6.20829
95 4S 10.56380 0.00000 1.43054 0.00000 -2.77364
96 5S -0.11814 0.00000 0.01131 0.00000 -0.06680
97 6PX 0.00000 0.02986 0.00000 -0.13771 0.00000
98 6PY 0.06862 0.00000 -0.03910 0.00000 -0.00734
99 6PZ 0.00902 0.00000 -0.14263 0.00000 -0.02608
100 7PX 0.00000 -0.16887 0.00000 1.25804 0.00000
101 7PY 0.03432 0.00000 0.46020 0.00000 0.01052
102 7PZ -0.38864 0.00000 1.22168 0.00000 0.33856
103 8PX 0.00000 0.47531 0.00000 -1.88838 0.00000
104 8PY -14.20897 0.00000 -3.48455 0.00000 2.76233
105 8PZ 6.62029 0.00000 -0.95213 0.00000 -1.22620
106 9PX 0.00000 0.01717 0.00000 -0.87771 0.00000
107 9PY -5.94097 0.00000 -1.27549 0.00000 1.35710
108 9PZ 2.82095 0.00000 -0.15771 0.00000 -0.86616
109 10D 0 0.05765 0.00000 0.00235 0.00000 -0.06352
110 10D+1 0.00000 -0.01390 0.00000 0.00204 0.00000
111 10D-1 0.12953 0.00000 -0.04379 0.00000 0.06220
112 10D+2 0.16771 0.00000 0.02470 0.00000 0.00034
113 10D-2 0.00000 0.10711 0.00000 0.02030 0.00000
114 11D 0 -0.84686 0.00000 -0.19080 0.00000 0.57628
115 11D+1 0.00000 0.12470 0.00000 0.03526 0.00000
116 11D-1 -2.01761 0.00000 -0.06637 0.00000 -0.28561
117 11D+2 -2.45338 0.00000 -0.63008 0.00000 0.22892
118 11D-2 0.00000 -0.65035 0.00000 -0.23171 0.00000
119 12D 0 -0.52244 0.00000 -1.30711 0.00000 0.16541
120 12D+1 0.00000 -0.10992 0.00000 -0.31728 0.00000
121 12D-1 -2.53289 0.00000 0.59860 0.00000 0.73471
122 12D+2 -2.53843 0.00000 -1.15059 0.00000 0.29493
123 12D-2 0.00000 -0.18907 0.00000 1.46103 0.00000
124 13F 0 -0.07315 0.00000 -0.03737 0.00000 0.01415
125 13F+1 0.00000 0.00876 0.00000 -0.01197 0.00000
126 13F-1 0.01556 0.00000 -0.04953 0.00000 0.04996
127 13F+2 -0.11667 0.00000 -0.03553 0.00000 0.04432
128 13F-2 0.00000 0.03973 0.00000 -0.01122 0.00000
129 13F+3 0.00000 0.08160 0.00000 -0.00714 0.00000
130 13F-3 0.09806 0.00000 0.01949 0.00000 -0.03187
131 14F 0 -0.36988 0.00000 0.27420 0.00000 0.10123
132 14F+1 0.00000 -0.07152 0.00000 0.15415 0.00000
133 14F-1 -0.17690 0.00000 0.93537 0.00000 -0.35721
134 14F+2 -0.61353 0.00000 0.12524 0.00000 -0.02809
135 14F-2 0.00000 -0.15709 0.00000 0.20704 0.00000
136 14F+3 0.00000 -0.53185 0.00000 0.48263 0.00000
137 14F-3 0.62197 0.00000 0.34884 0.00000 0.15004
138 15G 0 -0.00967 0.00000 -0.00605 0.00000 0.00908
139 15G+1 0.00000 0.01052 0.00000 -0.00902 0.00000
140 15G-1 0.01959 0.00000 0.00529 0.00000 -0.00857
141 15G+2 -0.02180 0.00000 0.01507 0.00000 0.01539
142 15G-2 0.00000 0.01711 0.00000 -0.00377 0.00000
143 15G+3 0.00000 0.01815 0.00000 0.02677 0.00000
144 15G-3 0.04652 0.00000 -0.01288 0.00000 -0.00437
145 15G+4 0.02998 0.00000 0.04457 0.00000 0.00040
146 15G-4 0.00000 -0.01650 0.00000 -0.01596 0.00000
147 3 H 1S -0.00626 0.01085 0.02367 -0.04100 -0.00058
148 2S 0.89978 -1.55847 -0.17289 0.29945 -0.00557
149 3S -14.40730 24.95418 -1.79976 3.11728 -6.20829
150 4S -5.28190 9.14852 -0.71527 1.23888 -2.77364
151 5S 0.05907 -0.10231 -0.00565 0.00979 -0.06680
152 6PX -0.01678 0.05893 -0.04270 -0.06375 -0.00636
153 6PY 0.03955 -0.01678 -0.11306 -0.04270 0.00367
154 6PZ -0.00451 0.00781 0.07131 -0.12352 -0.02608
155 7PX -0.08798 -0.01648 0.34548 0.65966 0.00911
156 7PY -0.11808 -0.08798 1.05858 0.34548 -0.00526
157 7PZ 0.19432 -0.33657 -0.61084 1.05801 0.33856
158 8PX 6.35848 -10.53790 0.69116 -3.08551 2.39225
159 8PY -3.19576 6.35848 -2.28742 0.69116 -1.38117
160 8PZ -3.31015 5.73334 0.47607 -0.82457 -1.22620
161 9PX 2.57995 -4.45144 0.17224 -1.17604 1.17528
162 9PY -1.47237 2.57995 -0.97715 0.17224 -0.67855
163 9PZ -1.41047 2.44301 0.07885 -0.13658 -0.86616
164 10D 0 -0.02882 0.04993 -0.00118 0.00204 -0.06352
165 10D+1 -0.06210 0.09367 0.01985 -0.03233 0.05387
166 10D-1 0.02196 -0.06210 -0.00942 0.01985 -0.03110
167 10D+2 0.12226 -0.02624 0.02140 -0.00191 -0.00017
168 10D-2 -0.02624 0.15256 -0.00191 0.02360 0.00030
169 11D 0 0.42343 -0.73340 0.09540 -0.16524 0.57628
170 11D+1 0.92765 -1.48203 0.04401 -0.04096 -0.24735
171 11D-1 -0.41087 0.92765 0.00985 0.04401 0.14281
172 11D+2 -1.10111 0.78074 -0.33130 0.17250 -0.11446
173 11D-2 0.78074 -2.00262 0.17250 -0.53049 0.19825
174 12D 0 0.26122 -0.45244 0.65355 -1.13199 0.16541
175 12D+1 1.04918 -1.92714 -0.39659 0.36963 0.63628
176 12D-1 -0.71566 1.04918 -0.08831 -0.39659 -0.36736
177 12D+2 -0.77641 1.01731 0.80813 1.13086 -0.14747
178 12D-2 1.01731 -1.95109 1.13086 -0.49768 0.25542
179 13F 0 0.03658 -0.06335 0.01869 -0.03237 0.01415
180 13F+1 -0.00294 0.01386 0.01626 -0.04014 0.04326
181 13F-1 0.01046 -0.00294 -0.02136 0.01626 -0.02498
182 13F+2 0.00063 0.06772 -0.01730 0.01052 -0.02216
183 13F-2 0.06772 -0.07757 0.01052 -0.02945 0.03838
184 13F+3 -0.07066 -0.04080 0.00618 0.00357 0.00000
185 13F-3 -0.04903 0.08493 -0.00975 0.01688 -0.03187
186 14F 0 0.18494 -0.32033 -0.13710 0.23746 0.10123
187 14F+1 0.04563 -0.15055 -0.33828 0.74006 -0.30935
188 14F-1 -0.09787 0.04563 0.34945 -0.33828 0.17860
189 14F+2 -0.27120 0.19764 0.18659 0.03542 0.01405
190 14F-2 0.19764 -0.49942 0.03542 0.14569 -0.02433
191 14F+3 0.46060 0.26592 -0.41797 -0.24131 0.00000
192 14F-3 -0.31098 0.53864 -0.17442 0.30210 0.15004
193 15G 0 0.00484 -0.00838 0.00303 -0.00524 0.00908
194 15G+1 -0.00393 0.01732 -0.00620 0.00171 -0.00742
195 15G-1 0.01279 -0.00393 -0.00544 -0.00620 0.00428
196 15G+2 0.00738 0.01685 0.00094 -0.00816 -0.00770
197 15G-2 0.01685 -0.01207 -0.00816 0.01036 0.01333
198 15G+3 -0.01572 -0.00907 -0.02319 -0.01339 0.00000
199 15G-3 -0.02326 0.04029 0.00644 -0.01116 -0.00437
200 15G+4 0.01987 -0.00584 0.02311 -0.01239 -0.00020
201 15G-4 0.00584 -0.02661 0.01239 -0.03742 -0.00035
202 4 H 1S -0.00626 -0.01085 0.02367 0.04100 -0.00058
203 2S 0.89978 1.55847 -0.17289 -0.29945 -0.00557
204 3S -14.40730 -24.95418 -1.79976 -3.11728 -6.20829
205 4S -5.28190 -9.14852 -0.71527 -1.23888 -2.77364
206 5S 0.05907 0.10231 -0.00565 -0.00979 -0.06680
207 6PX 0.01678 0.05893 0.04270 -0.06375 0.00636
208 6PY 0.03955 0.01678 -0.11306 0.04270 0.00367
209 6PZ -0.00451 -0.00781 0.07131 0.12352 -0.02608
210 7PX 0.08798 -0.01648 -0.34548 0.65966 -0.00911
211 7PY -0.11808 0.08798 1.05858 -0.34548 -0.00526
212 7PZ 0.19432 0.33657 -0.61084 -1.05801 0.33856
213 8PX -6.35848 -10.53790 -0.69116 -3.08551 -2.39225
214 8PY -3.19576 -6.35848 -2.28742 -0.69116 -1.38117
215 8PZ -3.31015 -5.73334 0.47607 0.82457 -1.22620
216 9PX -2.57995 -4.45144 -0.17224 -1.17604 -1.17528
217 9PY -1.47237 -2.57995 -0.97715 -0.17224 -0.67855
218 9PZ -1.41047 -2.44301 0.07885 0.13658 -0.86616
219 10D 0 -0.02882 -0.04993 -0.00118 -0.00204 -0.06352
220 10D+1 0.06210 0.09367 -0.01985 -0.03233 -0.05387
221 10D-1 0.02196 0.06210 -0.00942 -0.01985 -0.03110
222 10D+2 0.12226 0.02624 0.02140 0.00191 -0.00017
223 10D-2 0.02624 0.15256 0.00191 0.02360 -0.00030
224 11D 0 0.42343 0.73340 0.09540 0.16524 0.57628
225 11D+1 -0.92765 -1.48203 -0.04401 -0.04096 0.24735
226 11D-1 -0.41087 -0.92765 0.00985 -0.04401 0.14281
227 11D+2 -1.10111 -0.78074 -0.33130 -0.17250 -0.11446
228 11D-2 -0.78074 -2.00262 -0.17250 -0.53049 -0.19825
229 12D 0 0.26122 0.45244 0.65355 1.13199 0.16541
230 12D+1 -1.04918 -1.92714 0.39659 0.36963 -0.63628
231 12D-1 -0.71566 -1.04918 -0.08831 0.39659 -0.36736
232 12D+2 -0.77641 -1.01731 0.80813 -1.13086 -0.14747
233 12D-2 -1.01731 -1.95109 -1.13086 -0.49768 -0.25542
234 13F 0 0.03658 0.06335 0.01869 0.03237 0.01415
235 13F+1 0.00294 0.01386 -0.01626 -0.04014 -0.04326
236 13F-1 0.01046 0.00294 -0.02136 -0.01626 -0.02498
237 13F+2 0.00063 -0.06772 -0.01730 -0.01052 -0.02216
238 13F-2 -0.06772 -0.07757 -0.01052 -0.02945 -0.03838
239 13F+3 0.07066 -0.04080 -0.00618 0.00357 0.00000
240 13F-3 -0.04903 -0.08493 -0.00975 -0.01688 -0.03187
241 14F 0 0.18494 0.32033 -0.13710 -0.23746 0.10123
242 14F+1 -0.04563 -0.15055 0.33828 0.74006 0.30935
243 14F-1 -0.09787 -0.04563 0.34945 0.33828 0.17860
244 14F+2 -0.27120 -0.19764 0.18659 -0.03542 0.01405
245 14F-2 -0.19764 -0.49942 -0.03542 0.14569 0.02433
246 14F+3 -0.46060 0.26592 0.41797 -0.24131 0.00000
247 14F-3 -0.31098 -0.53864 -0.17442 -0.30210 0.15004
248 15G 0 0.00484 0.00838 0.00303 0.00524 0.00908
249 15G+1 0.00393 0.01732 0.00620 0.00171 0.00742
250 15G-1 0.01279 0.00393 -0.00544 0.00620 0.00428
251 15G+2 0.00738 -0.01685 0.00094 0.00816 -0.00770
252 15G-2 -0.01685 -0.01207 0.00816 0.01036 -0.01333
253 15G+3 0.01572 -0.00907 0.02319 -0.01339 0.00000
254 15G-3 -0.02326 -0.04029 0.00644 0.01116 -0.00437
255 15G+4 0.01987 0.00584 0.02311 0.01239 -0.00020
256 15G-4 -0.00584 -0.02661 -0.01239 -0.03742 0.00035
131 132 133 134 135
(A2)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 7.44360 7.46950 7.46950 8.02817 8.02817
1 1 N 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 0.00000 0.01926 0.00000 -0.10604
8 7PY 0.00000 0.01926 0.00000 -0.10604 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.66955 0.00000 -2.34254
11 8PY 0.00000 0.66955 0.00000 -2.34254 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 -5.58440 0.00000 6.56402
14 9PY 0.00000 -5.58440 0.00000 6.56402 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 -7.34864 0.00000 7.84510
17 10PY 0.00000 -7.34864 0.00000 7.84510 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 -0.53961 0.00000 0.33737
20 11PY 0.00000 -0.53961 0.00000 0.33737 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 0.04470 0.00000 -0.08025
24 12D-1 0.00000 0.04470 0.00000 -0.08025 0.00000
25 12D+2 0.00000 0.00308 0.00000 0.01923 0.00000
26 12D-2 0.00000 0.00000 0.00308 0.00000 0.01923
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 -1.02742 0.00000 0.78765
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30 13D+2 0.00000 -0.04248 0.00000 -0.58944 0.00000
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128 13F-2 0.01523 0.00000 -0.02015 0.00000 0.04055
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135 14F-2 -0.42904 0.00000 0.94160 0.00000 0.89709
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142 15G-2 -0.01882 0.00000 0.04628 0.00000 0.01959
143 15G+3 -0.02646 0.00000 0.03789 0.00000 0.08209
144 15G-3 0.00000 0.00742 0.00000 -0.01968 0.00000
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146 15G-4 0.01296 0.00000 0.01152 0.00000 -0.08945
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148 2S 0.00000 0.71993 -1.24696 0.82544 -1.42970
149 3S 0.00000 -5.68394 9.84488 1.64959 -2.85718
150 4S 0.00000 -1.96574 3.40476 0.95369 -1.65185
151 5S 0.00000 0.02932 -0.05079 -0.03539 0.06130
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153 6PY -0.12454 0.03442 0.03312 -0.04923 0.07548
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155 7PX 0.68806 -0.41877 0.30850 -0.64604 1.43573
156 7PY 1.19175 -0.17506 -0.41877 0.68975 -0.64604
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168 10D-2 -0.00344 -0.01828 0.00907 -0.09331 -0.00984
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172 11D+2 0.11949 0.14917 0.44163 1.57636 0.82936
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176 12D-1 -0.32265 -0.53324 -0.22308 -0.74271 -0.05804
177 12D+2 1.69637 -0.29896 0.38769 1.38808 1.23822
178 12D-2 0.97940 0.38769 -0.74663 1.23822 -0.04169
179 13F 0 0.00000 0.01475 -0.02554 -0.01490 0.02581
180 13F+1 0.00134 -0.00490 0.02484 0.00734 -0.00767
181 13F-1 0.00232 0.01918 -0.00490 0.00081 0.00734
182 13F+2 -0.01319 -0.02864 0.01471 0.03650 0.00700
183 13F-2 -0.00761 0.01471 -0.04562 0.00700 0.02842
184 13F+3 0.04003 -0.01809 -0.01044 -0.05398 -0.03117
185 13F-3 0.00000 -0.03328 0.05765 0.03671 -0.06358
186 14F 0 0.00000 0.07855 -0.13606 0.08691 -0.15053
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188 14F-1 0.10718 -0.31301 -0.22478 0.03369 -0.04643
189 14F+2 0.37156 0.69730 0.42314 0.63610 0.45204
190 14F-2 0.21452 0.42314 0.20870 0.45204 0.11413
191 14F+3 -0.96516 -0.09598 -0.05542 -0.92198 -0.53230
192 14F-3 0.00000 0.06548 -0.11342 -0.15725 0.27237
193 15G 0 0.00000 -0.00928 0.01607 -0.00651 0.01128
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195 15G-1 0.02163 0.01640 -0.00951 0.01795 0.00957
196 15G+2 0.01630 0.03606 0.01770 0.01091 0.01502
197 15G-2 0.00941 0.01770 0.01562 0.01502 -0.00643
198 15G+3 -0.02646 -0.03282 -0.01895 -0.07109 -0.04104
199 15G-3 0.00000 -0.00371 0.00642 0.00984 -0.01705
200 15G+4 0.01123 -0.00888 -0.00457 0.06216 0.04726
201 15G-4 -0.00648 0.00457 0.00361 -0.04726 -0.00759
202 4 H 1S 0.00000 -0.00806 -0.01397 0.03610 0.06253
203 2S 0.00000 0.71993 1.24696 0.82544 1.42970
204 3S 0.00000 -5.68394 -9.84488 1.64959 2.85718
205 4S 0.00000 -1.96574 -3.40476 0.95369 1.65185
206 5S 0.00000 0.02932 0.05079 -0.03539 -0.06130
207 6PX -0.07191 -0.03312 -0.00383 -0.07548 -0.13638
208 6PY 0.12454 0.03442 -0.03312 -0.04923 -0.07548
209 6PZ 0.00000 0.04379 0.07585 -0.05426 -0.09397
210 7PX 0.68806 0.41877 0.30850 0.64604 1.43573
211 7PY -1.19175 -0.17506 0.41877 0.68975 0.64604
212 7PZ 0.00000 -0.34435 -0.59642 0.53104 0.91979
213 8PX -1.21037 -2.55470 -4.61401 1.88453 -1.66394
214 8PY 2.09642 -1.66409 -2.55470 -3.84000 1.88453
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216 9PX -0.45662 -1.23239 -1.60490 0.79672 0.06032
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228 11D-2 0.06899 -0.44163 -0.36079 -0.82936 0.61870
229 12D 0 0.00000 0.41489 0.71860 0.11287 0.19550
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231 12D-1 0.32265 -0.53324 0.22308 -0.74271 0.05804
232 12D+2 -1.69637 -0.29896 -0.38769 1.38808 -1.23822
233 12D-2 0.97940 -0.38769 -0.74663 -1.23822 -0.04169
234 13F 0 0.00000 0.01475 0.02554 -0.01490 -0.02581
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236 13F-1 -0.00232 0.01918 0.00490 0.00081 -0.00734
237 13F+2 0.01319 -0.02864 -0.01471 0.03650 -0.00700
238 13F-2 -0.00761 -0.01471 -0.04562 -0.00700 0.02842
239 13F+3 0.04003 0.01809 -0.01044 0.05398 -0.03117
240 13F-3 0.00000 -0.03328 -0.05765 0.03671 0.06358
241 14F 0 0.00000 0.07855 0.13606 0.08691 0.15053
242 14F+1 0.06188 0.22478 -0.05345 0.04643 0.08731
243 14F-1 -0.10718 -0.31301 0.22478 0.03369 0.04643
244 14F+2 -0.37156 0.69730 -0.42314 0.63610 -0.45204
245 14F-2 0.21452 -0.42314 0.20870 -0.45204 0.11413
246 14F+3 -0.96516 0.09598 -0.05542 0.92198 -0.53230
247 14F-3 0.00000 0.06548 0.11342 -0.15725 -0.27237
248 15G 0 0.00000 -0.00928 -0.01607 -0.00651 -0.01128
249 15G+1 0.01249 0.00951 0.02738 -0.00957 0.00689
250 15G-1 -0.02163 0.01640 0.00951 0.01795 -0.00957
251 15G+2 -0.01630 0.03606 -0.01770 0.01091 -0.01502
252 15G-2 0.00941 -0.01770 0.01562 -0.01502 -0.00643
253 15G+3 -0.02646 0.03282 -0.01895 0.07109 -0.04104
254 15G-3 0.00000 -0.00371 -0.00642 0.00984 0.01705
255 15G+4 -0.01123 -0.00888 0.00457 0.06216 -0.04726
256 15G-4 -0.00648 -0.00457 0.00361 0.04726 -0.00759
136 137 138 139 140
(A1)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 8.15764 8.50319 8.50319 8.56901 8.56901
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3 3S -0.78091 0.00000 0.00000 0.00000 0.00000
4 4S -0.06891 0.00000 0.00000 0.00000 0.00000
5 5S 18.61948 0.00000 0.00000 0.00000 0.00000
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11 8PY 0.00000 2.17262 0.00000 0.18915 0.00000
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14 9PY 0.00000 -19.67212 0.00000 -3.06497 0.00000
15 9PZ 4.88813 0.00000 0.00000 0.00000 0.00000
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17 10PY 0.00000 -12.78093 0.00000 -2.46113 0.00000
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26 12D-2 0.00000 0.00000 -0.01836 0.00000 -0.08647
27 13D 0 1.43049 0.00000 0.00000 0.00000 0.00000
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29 13D-1 0.00000 0.62586 0.00000 -0.99570 0.00000
30 13D+2 0.00000 0.05180 0.00000 1.07995 0.00000
31 13D-2 0.00000 0.00000 0.05180 0.00000 1.07995
32 14D 0 -8.40223 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 6.23419 0.00000 7.21660
34 14D-1 0.00000 6.23419 0.00000 7.21660 0.00000
35 14D+2 0.00000 11.39524 0.00000 -4.46897 0.00000
36 14D-2 0.00000 0.00000 11.39524 0.00000 -4.46897
37 15D 0 -2.48041 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 2.58334 0.00000 2.30007
39 15D-1 0.00000 2.58334 0.00000 2.30007 0.00000
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41 15D-2 0.00000 0.00000 3.66531 0.00000 -1.04157
42 16F 0 0.08184 0.00000 0.00000 0.00000 0.00000
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44 16F-1 0.00000 -0.02301 0.00000 0.17997 0.00000
45 16F+2 0.00000 0.22940 0.00000 0.03766 0.00000
46 16F-2 0.00000 0.00000 0.22940 0.00000 0.03766
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.07615 0.00000 0.00000 0.00000 0.00000
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51 17F-1 0.00000 0.23286 0.00000 -2.29823 0.00000
52 17F+2 0.00000 -3.14134 0.00000 -0.62541 0.00000
53 17F-2 0.00000 0.00000 -3.14134 0.00000 -0.62541
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -1.22537 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.33734 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.51642 0.00000 -2.48254
58 18F-1 0.00000 0.51642 0.00000 -2.48254 0.00000
59 18F+2 0.00000 -2.00527 0.00000 -0.36449 0.00000
60 18F-2 0.00000 0.00000 -2.00527 0.00000 -0.36449
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -1.66100 0.00000 0.00000 0.00000 0.00000
63 19G 0 -0.05963 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 -0.04550 0.00000 -0.01196
65 19G-1 0.00000 -0.04550 0.00000 -0.01196 0.00000
66 19G+2 0.00000 -0.00182 0.00000 -0.05111 0.00000
67 19G-2 0.00000 0.00000 -0.00182 0.00000 -0.05111
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.10341 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.06234 0.00000 -0.02127 0.00000
71 19G-4 0.00000 0.00000 0.06234 0.00000 0.02127
72 20G 0 1.66860 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 -0.49644 0.00000 0.24596
74 20G-1 0.00000 -0.49644 0.00000 0.24596 0.00000
75 20G+2 0.00000 0.25607 0.00000 1.42097 0.00000
76 20G-2 0.00000 0.00000 0.25607 0.00000 1.42097
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 -1.08646 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 -0.07050 0.00000 0.12760 0.00000
80 20G-4 0.00000 0.00000 0.07050 0.00000 -0.12760
81 21H 0 -0.10532 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.02945 0.00000 0.05946
83 21H-1 0.00000 0.02945 0.00000 0.05946 0.00000
84 21H+2 0.00000 0.08033 0.00000 -0.04695 0.00000
85 21H-2 0.00000 0.00000 0.08033 0.00000 -0.04695
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.18455 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.03603 0.00000 0.08913 0.00000
89 21H-4 0.00000 0.00000 -0.03603 0.00000 -0.08913
90 21H+5 0.00000 0.00000 0.10773 0.00000 -0.09875
91 21H-5 0.00000 -0.10773 0.00000 0.09875 0.00000
92 2 H 1S 0.00904 0.22027 0.00000 0.00719 0.00000
93 2S 1.25868 -1.65696 0.00000 -0.75476 0.00000
94 3S -6.95817 27.28239 0.00000 4.33620 0.00000
95 4S -1.47065 8.38890 0.00000 1.31588 0.00000
96 5S -0.03120 0.37800 0.00000 0.03070 0.00000
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99 6PZ -0.04009 -0.06706 0.00000 -0.00292 0.00000
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101 7PY -0.78303 -0.73502 0.00000 0.45189 0.00000
102 7PZ 0.66068 0.26065 0.00000 0.22287 0.00000
103 8PX 0.00000 0.00000 -2.15765 0.00000 2.61028
104 8PY 2.20225 -14.12641 0.00000 -4.70264 0.00000
105 8PZ -5.48075 6.11858 0.00000 -4.30212 0.00000
106 9PX 0.00000 0.00000 -0.34087 0.00000 0.74139
107 9PY 0.72530 -5.63025 0.00000 -1.27681 0.00000
108 9PZ -1.51805 2.44147 0.00000 -0.84700 0.00000
109 10D 0 0.09289 0.09279 0.00000 0.17051 0.00000
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111 10D-1 -0.14975 0.16503 0.00000 -0.14912 0.00000
112 10D+2 0.02065 0.22796 0.00000 0.13651 0.00000
113 10D-2 0.00000 0.00000 -0.12128 0.00000 0.07254
114 11D 0 -1.10455 -1.13222 0.00000 -1.81361 0.00000
115 11D+1 0.00000 0.00000 -0.35102 0.00000 0.31251
116 11D-1 1.68213 -2.35977 0.00000 1.52280 0.00000
117 11D+2 -0.38863 -2.91333 0.00000 -1.43363 0.00000
118 11D-2 0.00000 0.00000 1.19067 0.00000 -0.97324
119 12D 0 -0.87251 -1.05718 0.00000 -1.85460 0.00000
120 12D+1 0.00000 0.00000 -0.30178 0.00000 0.35155
121 12D-1 2.11291 -2.42813 0.00000 1.42533 0.00000
122 12D+2 -0.11707 -2.76074 0.00000 -1.43922 0.00000
123 12D-2 0.00000 0.00000 0.94264 0.00000 -1.21619
124 13F 0 0.01105 -0.04919 0.00000 -0.00688 0.00000
125 13F+1 0.00000 0.00000 -0.02333 0.00000 0.01824
126 13F-1 0.03243 -0.00166 0.00000 0.01101 0.00000
127 13F+2 0.03637 -0.09408 0.00000 -0.00133 0.00000
128 13F-2 0.00000 0.00000 0.01024 0.00000 -0.06855
129 13F+3 0.00000 0.00000 -0.03806 0.00000 -0.00060
130 13F-3 0.02137 0.05045 0.00000 -0.00302 0.00000
131 14F 0 0.31708 -0.58209 0.00000 0.11106 0.00000
132 14F+1 0.00000 0.00000 0.14759 0.00000 -0.04054
133 14F-1 1.06683 0.29537 0.00000 1.50767 0.00000
134 14F+2 0.62865 -0.80709 0.00000 0.53482 0.00000
135 14F-2 0.00000 0.00000 0.32426 0.00000 -0.30543
136 14F+3 0.00000 0.00000 0.82370 0.00000 -0.64311
137 14F-3 0.42373 0.80669 0.00000 0.74106 0.00000
138 15G 0 0.05588 -0.00476 0.00000 0.07028 0.00000
139 15G+1 0.00000 0.00000 0.01180 0.00000 -0.00688
140 15G-1 0.00223 0.05934 0.00000 0.02945 0.00000
141 15G+2 0.07100 -0.01167 0.00000 0.10367 0.00000
142 15G-2 0.00000 0.00000 0.01686 0.00000 0.00153
143 15G+3 0.00000 0.00000 0.04174 0.00000 -0.08862
144 15G-3 -0.03957 0.06416 0.00000 -0.01290 0.00000
145 15G+4 0.04511 0.05374 0.00000 0.03552 0.00000
146 15G-4 0.00000 0.00000 -0.03162 0.00000 0.01615
147 3 H 1S 0.00904 -0.11014 0.19076 -0.00359 0.00623
148 2S 1.25868 0.82848 -1.43497 0.37738 -0.65364
149 3S -6.95817 -13.64119 23.62724 -2.16810 3.75526
150 4S -1.47065 -4.19445 7.26500 -0.65794 1.13959
151 5S -0.03120 -0.18900 0.32736 -0.01535 0.02658
152 6PX 0.05427 -0.08193 0.12853 0.02697 -0.01104
153 6PY -0.03133 0.03392 -0.08193 0.02011 0.02697
154 6PZ -0.04009 0.03353 -0.05808 0.00146 -0.00253
155 7PX -0.67812 0.38925 -0.51029 -0.36898 0.23885
156 7PY 0.39151 -0.06082 0.38925 -0.18721 -0.36898
157 7PZ 0.66068 -0.13032 0.22573 -0.11143 0.19301
158 8PX 1.90720 5.18262 -11.13422 3.16659 -2.87441
159 8PY -1.10112 -5.14984 5.18262 0.78205 3.16659
160 8PZ -5.48075 -3.05929 5.29884 2.15106 -3.72574
161 9PX 0.62813 2.29037 -4.30790 0.87390 -0.77226
162 9PY -0.36265 -1.66322 2.29037 0.23684 0.87390
163 9PZ -1.51805 -1.22073 2.11437 0.42350 -0.73353
164 10D 0 0.09289 -0.04640 0.08036 -0.08526 0.14767
165 10D+1 -0.12969 -0.05439 0.13363 0.05767 -0.11582
166 10D-1 0.07488 0.07082 -0.05439 -0.04923 0.05767
167 10D+2 -0.01032 -0.03397 -0.15123 0.08853 -0.02770
168 10D-2 0.01788 -0.15123 0.14065 -0.02770 0.12052
169 11D 0 -1.10455 0.56611 -0.98053 0.90681 -1.57063
170 11D+1 1.45677 0.86981 -1.85758 -0.52407 1.22023
171 11D-1 -0.84107 -0.85321 0.86981 0.61508 -0.52407
172 11D+2 0.19432 0.16467 1.77708 -1.08834 0.19935
173 11D-2 -0.33657 1.77708 -1.88733 0.19935 -1.31853
174 12D 0 -0.87251 0.52859 -0.91554 0.92730 -1.60613
175 12D+1 1.82984 0.92074 -1.89654 -0.46496 1.15688
176 12D-1 -1.05646 -0.83337 0.92074 0.62000 -0.46496
177 12D+2 0.05853 0.01679 1.60361 -1.27195 0.09658
178 12D-2 -0.10138 1.60361 -1.83490 0.09658 -1.38346
179 13F 0 0.01105 0.02460 -0.04260 0.00344 -0.00596
180 13F+1 0.02808 -0.00939 -0.00708 0.00313 0.01282
181 13F-1 -0.01621 -0.01792 -0.00939 0.01643 0.00313
182 13F+2 -0.01819 -0.01584 0.04517 -0.05174 -0.02911
183 13F-2 0.03150 0.04517 -0.06800 -0.02911 -0.01813
184 13F+3 0.00000 0.03297 0.01903 0.00052 0.00030
185 13F-3 0.02137 -0.02522 0.04369 0.00151 -0.00262
186 14F 0 0.31708 0.29105 -0.50411 -0.05553 0.09618
187 14F+1 0.92390 -0.06399 0.25842 -0.67040 1.12062
188 14F-1 -0.53341 0.18453 -0.06399 0.34651 -0.67040
189 14F+2 -0.31432 0.04142 0.48989 -0.09537 -0.36384
190 14F-2 0.54442 0.48989 -0.52425 -0.36384 0.32476
191 14F+3 0.00000 -0.71335 -0.41185 0.55695 0.32155
192 14F-3 0.42373 -0.40334 0.69861 -0.37053 0.64178
193 15G 0 0.05588 0.00238 -0.00412 -0.03514 0.06087
194 15G+1 0.00193 -0.02058 0.04745 -0.01573 0.02037
195 15G-1 -0.00111 0.02369 -0.02058 0.00220 -0.01573
196 15G+2 -0.03550 0.00973 0.01235 0.02706 -0.04423
197 15G-2 0.06149 0.01235 -0.00454 -0.04423 0.07813
198 15G+3 0.00000 -0.03615 -0.02087 0.07675 0.04431
199 15G-3 -0.03957 -0.03208 0.05557 0.00645 -0.01117
200 15G+4 -0.02255 0.03715 -0.00958 -0.00323 -0.02237
201 15G-4 -0.03906 0.00958 -0.04821 0.02237 -0.02260
202 4 H 1S 0.00904 -0.11014 -0.19076 -0.00359 -0.00623
203 2S 1.25868 0.82848 1.43497 0.37738 0.65364
204 3S -6.95817 -13.64119 -23.62724 -2.16810 -3.75526
205 4S -1.47065 -4.19445 -7.26500 -0.65794 -1.13959
206 5S -0.03120 -0.18900 -0.32736 -0.01535 -0.02658
207 6PX -0.05427 0.08193 0.12853 -0.02697 -0.01104
208 6PY -0.03133 0.03392 0.08193 0.02011 -0.02697
209 6PZ -0.04009 0.03353 0.05808 0.00146 0.00253
210 7PX 0.67812 -0.38925 -0.51029 0.36898 0.23885
211 7PY 0.39151 -0.06082 -0.38925 -0.18721 0.36898
212 7PZ 0.66068 -0.13032 -0.22573 -0.11143 -0.19301
213 8PX -1.90720 -5.18262 -11.13422 -3.16659 -2.87441
214 8PY -1.10112 -5.14984 -5.18262 0.78205 -3.16659
215 8PZ -5.48075 -3.05929 -5.29884 2.15106 3.72574
216 9PX -0.62813 -2.29037 -4.30790 -0.87390 -0.77226
217 9PY -0.36265 -1.66322 -2.29037 0.23684 -0.87390
218 9PZ -1.51805 -1.22073 -2.11437 0.42350 0.73353
219 10D 0 0.09289 -0.04640 -0.08036 -0.08526 -0.14767
220 10D+1 0.12969 0.05439 0.13363 -0.05767 -0.11582
221 10D-1 0.07488 0.07082 0.05439 -0.04923 -0.05767
222 10D+2 -0.01032 -0.03397 0.15123 0.08853 0.02770
223 10D-2 -0.01788 0.15123 0.14065 0.02770 0.12052
224 11D 0 -1.10455 0.56611 0.98053 0.90681 1.57063
225 11D+1 -1.45677 -0.86981 -1.85758 0.52407 1.22023
226 11D-1 -0.84107 -0.85321 -0.86981 0.61508 0.52407
227 11D+2 0.19432 0.16467 -1.77708 -1.08834 -0.19935
228 11D-2 0.33657 -1.77708 -1.88733 -0.19935 -1.31853
229 12D 0 -0.87251 0.52859 0.91554 0.92730 1.60613
230 12D+1 -1.82984 -0.92074 -1.89654 0.46496 1.15688
231 12D-1 -1.05646 -0.83337 -0.92074 0.62000 0.46496
232 12D+2 0.05853 0.01679 -1.60361 -1.27195 -0.09658
233 12D-2 0.10138 -1.60361 -1.83490 -0.09658 -1.38346
234 13F 0 0.01105 0.02460 0.04260 0.00344 0.00596
235 13F+1 -0.02808 0.00939 -0.00708 -0.00313 0.01282
236 13F-1 -0.01621 -0.01792 0.00939 0.01643 -0.00313
237 13F+2 -0.01819 -0.01584 -0.04517 -0.05174 0.02911
238 13F-2 -0.03150 -0.04517 -0.06800 0.02911 -0.01813
239 13F+3 0.00000 -0.03297 0.01903 -0.00052 0.00030
240 13F-3 0.02137 -0.02522 -0.04369 0.00151 0.00262
241 14F 0 0.31708 0.29105 0.50411 -0.05553 -0.09618
242 14F+1 -0.92390 0.06399 0.25842 0.67040 1.12062
243 14F-1 -0.53341 0.18453 0.06399 0.34651 0.67040
244 14F+2 -0.31432 0.04142 -0.48989 -0.09537 0.36384
245 14F-2 -0.54442 -0.48989 -0.52425 0.36384 0.32476
246 14F+3 0.00000 0.71335 -0.41185 -0.55695 0.32155
247 14F-3 0.42373 -0.40334 -0.69861 -0.37053 -0.64178
248 15G 0 0.05588 0.00238 0.00412 -0.03514 -0.06087
249 15G+1 -0.00193 0.02058 0.04745 0.01573 0.02037
250 15G-1 -0.00111 0.02369 0.02058 0.00220 0.01573
251 15G+2 -0.03550 0.00973 -0.01235 0.02706 0.04423
252 15G-2 -0.06149 -0.01235 -0.00454 0.04423 0.07813
253 15G+3 0.00000 0.03615 -0.02087 -0.07675 0.04431
254 15G-3 -0.03957 -0.03208 -0.05557 0.00645 0.01117
255 15G+4 -0.02255 0.03715 0.00958 -0.00323 0.02237
256 15G-4 0.03906 -0.00958 -0.04821 -0.02237 -0.02260
141 142 143 144 145
(A2)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 8.69211 8.94717 9.05314 9.05314 10.98775
1 1 N 1S 0.00000 -0.03814 0.00000 0.00000 0.00000
2 2S 0.00000 0.09053 0.00000 0.00000 0.00000
3 3S 0.00000 -0.69441 0.00000 0.00000 0.00000
4 4S 0.00000 5.86300 0.00000 0.00000 0.00000
5 5S 0.00000 3.50360 0.00000 0.00000 0.00000
6 6S 0.00000 2.72353 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.14421 0.06627
8 7PY 0.00000 0.00000 0.14421 0.00000 0.00000
9 7PZ 0.00000 -0.02406 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 -0.80698 -0.05955
11 8PY 0.00000 0.00000 -0.80698 0.00000 0.00000
12 8PZ 0.00000 -0.05494 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 14.34601 0.01709
14 9PY 0.00000 0.00000 14.34601 0.00000 0.00000
15 9PZ 0.00000 -3.66322 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 1.39242 0.97032
17 10PY 0.00000 0.00000 1.39242 0.00000 0.00000
18 10PZ 0.00000 -1.49054 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.27538 0.10666
20 11PY 0.00000 0.00000 0.27538 0.00000 0.00000
21 11PZ 0.00000 -0.37263 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.06901 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.08596 0.01006
24 12D-1 0.00000 0.00000 0.08596 0.00000 0.00000
25 12D+2 0.00000 0.00000 0.12310 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.12310 0.01245
27 13D 0 0.00000 -0.79396 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 -1.05346 0.08795
29 13D-1 0.00000 0.00000 -1.05346 0.00000 0.00000
30 13D+2 0.00000 0.00000 -1.66180 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 -1.66180 0.00484
32 14D 0 0.00000 2.89509 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 -1.83055 -0.64564
34 14D-1 0.00000 0.00000 -1.83055 0.00000 0.00000
35 14D+2 0.00000 0.00000 0.33799 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 0.33799 -0.11109
37 15D 0 0.00000 0.44948 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 0.55339 -0.70955
39 15D-1 0.00000 0.00000 0.55339 0.00000 0.00000
40 15D+2 0.00000 0.00000 1.36277 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 1.36277 -0.01107
42 16F 0 0.00000 0.06324 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.03755 0.05958
44 16F-1 0.00000 0.00000 0.03755 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.05775 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.05775 0.00334
47 16F+3 -0.19162 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.11591 0.00000 0.00000 0.00000
49 17F 0 0.00000 -0.55031 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 -0.74177 0.16779
51 17F-1 0.00000 0.00000 -0.74177 0.00000 0.00000
52 17F+2 0.00000 0.00000 -0.53948 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 -0.53948 0.16023
54 17F+3 3.04242 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 1.55415 0.00000 0.00000 0.00000
56 18F 0 0.00000 -0.08625 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 -0.59719 0.71456
58 18F-1 0.00000 0.00000 -0.59719 0.00000 0.00000
59 18F+2 0.00000 0.00000 -1.84783 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 -1.84783 -0.11436
61 18F+3 3.42460 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 1.77362 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00235 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 0.06301 -0.08335
65 19G-1 0.00000 0.00000 0.06301 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.00878 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 -0.00878 -0.05107
68 19G+3 0.06391 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.09539 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.03502 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.03502 -0.03429
72 20G 0 0.00000 -0.43675 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 -0.08345 -0.29164
74 20G-1 0.00000 0.00000 -0.08345 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.75633 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.75633 -0.06943
77 20G+3 -2.15262 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -1.14466 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.43036 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.43036 0.06889
81 21H 0 0.00000 -0.03041 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.00000 -0.03640 -0.24690
83 21H-1 0.00000 0.00000 -0.03640 0.00000 0.00000
84 21H+2 0.00000 0.00000 -0.01361 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 -0.01361 0.58423
86 21H+3 0.02980 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.06865 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 -0.03700 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.03700 0.02911
90 21H+5 0.00000 0.00000 0.00000 0.00448 -0.41945
91 21H-5 0.00000 0.00000 -0.00448 0.00000 0.00000
92 2 H 1S 0.00000 0.11794 -0.01268 0.00000 0.00000
93 2S 0.00000 2.12571 2.95784 0.00000 0.00000
94 3S 0.00000 -1.69858 -9.56191 0.00000 0.00000
95 4S 0.00000 -2.22665 -2.25704 0.00000 0.00000
96 5S 0.00000 0.10722 -0.17964 0.00000 0.00000
97 6PX -0.03206 0.00000 0.00000 -0.01626 -0.00378
98 6PY 0.00000 0.19855 0.15296 0.00000 0.00000
99 6PZ 0.00000 -0.07183 -0.05110 0.00000 0.00000
100 7PX 0.11531 0.00000 0.00000 0.17147 0.13416
101 7PY 0.00000 -1.72917 -1.67958 0.00000 0.00000
102 7PZ 0.00000 0.63971 0.64221 0.00000 0.00000
103 8PX 3.72833 0.00000 0.00000 -2.71777 -0.18558
104 8PY 0.00000 2.91271 7.63261 0.00000 0.00000
105 8PZ 0.00000 0.35142 -4.91460 0.00000 0.00000
106 9PX 0.72667 0.00000 0.00000 -0.50265 -0.18768
107 9PY 0.00000 1.19718 2.28557 0.00000 0.00000
108 9PZ 0.00000 -0.17442 -1.21432 0.00000 0.00000
109 10D 0 0.00000 -0.06905 0.00100 0.00000 0.00000
110 10D+1 -0.09007 0.00000 0.00000 0.01414 -0.02182
111 10D-1 0.00000 0.02270 -0.20489 0.00000 0.00000
112 10D+2 0.00000 -0.04630 -0.12514 0.00000 0.00000
113 10D-2 0.20598 0.00000 0.00000 -0.10943 0.03853
114 11D 0 0.00000 0.60390 0.05215 0.00000 0.00000
115 11D+1 0.73627 0.00000 0.00000 -0.18736 0.10944
116 11D-1 0.00000 -0.33234 1.85038 0.00000 0.00000
117 11D+2 0.00000 0.31650 1.24379 0.00000 0.00000
118 11D-2 -1.82038 0.00000 0.00000 1.24127 -0.08080
119 12D 0 0.00000 0.89823 0.55316 0.00000 0.00000
120 12D+1 0.78847 0.00000 0.00000 -0.55811 0.16827
121 12D-1 0.00000 0.39331 2.54069 0.00000 0.00000
122 12D+2 0.00000 1.05367 2.16443 0.00000 0.00000
123 12D-2 -1.35903 0.00000 0.00000 1.06607 0.22445
124 13F 0 0.00000 -0.03599 -0.03817 0.00000 0.00000
125 13F+1 -0.01095 0.00000 0.00000 -0.02534 -0.12128
126 13F-1 0.00000 0.03778 0.00746 0.00000 0.00000
127 13F+2 0.00000 -0.05567 -0.08787 0.00000 0.00000
128 13F-2 0.04695 0.00000 0.00000 0.04283 -0.05126
129 13F+3 -0.00045 0.00000 0.00000 -0.02592 0.04747
130 13F-3 0.00000 0.02459 0.03320 0.00000 0.00000
131 14F 0 0.00000 0.24571 0.64434 0.00000 0.00000
132 14F+1 -0.02469 0.00000 0.00000 0.15493 0.18714
133 14F-1 0.00000 -0.53904 0.15271 0.00000 0.00000
134 14F+2 0.00000 0.13939 1.16134 0.00000 0.00000
135 14F-2 -0.66687 0.00000 0.00000 0.33602 -0.07249
136 14F+3 -0.86967 0.00000 0.00000 0.68616 0.01434
137 14F-3 0.00000 -0.29912 -0.68536 0.00000 0.00000
138 15G 0 0.00000 -0.01199 0.04555 0.00000 0.00000
139 15G+1 -0.01266 0.00000 0.00000 0.00424 -0.14341
140 15G-1 0.00000 0.01515 -0.03015 0.00000 0.00000
141 15G+2 0.00000 -0.04057 0.02313 0.00000 0.00000
142 15G-2 0.03059 0.00000 0.00000 0.01274 0.11996
143 15G+3 -0.03741 0.00000 0.00000 0.05059 -0.09731
144 15G-3 0.00000 -0.00796 -0.01607 0.00000 0.00000
145 15G+4 0.00000 -0.00653 -0.04545 0.00000 0.00000
146 15G-4 0.07384 0.00000 0.00000 -0.04756 -0.10594
147 3 H 1S 0.00000 0.11794 0.00634 -0.01098 0.01184
148 2S 0.00000 2.12571 -1.47892 2.56156 0.16759
149 3S 0.00000 -1.69858 4.78095 -8.28086 -0.86990
150 4S 0.00000 -2.22665 1.12852 -1.95465 -0.28720
151 5S 0.00000 0.10722 0.08982 -0.15557 0.00377
152 6PX 0.01603 0.17195 -0.07327 0.11066 -0.00064
153 6PY 0.02777 -0.09927 0.02605 -0.07327 -0.00181
154 6PZ 0.00000 -0.07183 0.02555 -0.04425 -0.01618
155 7PX -0.05765 -1.49750 0.80153 -1.21682 0.02347
156 7PY -0.09986 0.86458 -0.29129 0.80153 0.06391
157 7PZ 0.00000 0.63971 -0.32111 0.55617 0.08159
158 8PX -1.86417 2.52248 -4.48185 5.04501 0.39894
159 8PY -3.22883 -1.45636 -0.13018 -4.48185 -0.33747
160 8PZ 0.00000 0.35142 2.45730 -4.25617 0.39300
161 9PX -0.36333 1.03679 -1.20733 1.58852 0.06197
162 9PY -0.62931 -0.59859 0.19441 -1.20733 -0.14414
163 9PZ 0.00000 -0.17442 0.60716 -1.05163 0.11333
164 10D 0 0.00000 -0.06905 -0.00050 0.00086 0.00070
165 10D+1 0.04504 0.01966 0.09484 -0.15013 0.08284
166 10D-1 0.07800 -0.01135 -0.04062 0.09484 -0.06042
167 10D+2 -0.17839 0.02315 -0.11335 0.00680 0.04785
168 10D-2 -0.10299 -0.04009 0.00680 -0.12121 -0.04434
169 11D 0 0.00000 0.60390 -0.02607 0.04516 0.05108
170 11D+1 -0.36814 -0.28781 -0.88237 1.34094 -0.23264
171 11D-1 -0.63763 0.16617 0.32207 -0.88237 0.19750
172 11D+2 1.57650 -0.15825 1.24190 -0.00109 -0.17284
173 11D-2 0.91019 0.27410 -0.00109 1.24316 0.21857
174 12D 0 0.00000 0.89823 -0.27658 0.47905 0.01878
175 12D+1 -0.39424 0.34062 -1.34182 1.76599 -0.09585
176 12D-1 -0.68284 -0.19665 0.21659 -1.34182 0.15249
177 12D+2 1.17695 -0.52683 1.34066 -0.47560 0.04184
178 12D-2 0.67951 0.91250 -0.47560 1.88984 0.15199
179 13F 0 0.00000 -0.03599 0.01909 -0.03306 0.19936
180 13F+1 0.00547 0.03272 -0.01420 -0.00074 -0.05489
181 13F-1 0.00948 -0.01889 -0.01714 -0.01420 -0.03833
182 13F+2 -0.04066 0.02784 0.01016 0.05659 -0.03564
183 13F-2 -0.02347 -0.04821 0.05659 -0.05519 0.01047
184 13F+3 -0.00045 0.00000 0.02245 0.01296 -0.02374
185 13F-3 0.00000 0.02459 -0.01660 0.02876 0.12623
186 14F 0 0.00000 0.24571 -0.32217 0.55802 -0.27654
187 14F+1 0.01234 -0.46682 0.00097 0.15326 0.04635
188 14F-1 0.02138 0.26952 0.15438 0.00097 0.08128
189 14F+2 0.57752 -0.06970 0.54235 -0.35738 0.00722
190 14F-2 0.33343 0.12072 -0.35738 0.95501 -0.08499
191 14F+3 -0.86967 0.00000 -0.59423 -0.34308 -0.00717
192 14F-3 0.00000 -0.29912 0.34268 -0.59354 -0.21142
193 15G 0 0.00000 -0.01199 -0.02277 0.03945 0.05934
194 15G+1 0.00633 0.01312 0.01489 -0.02156 -0.10275
195 15G-1 0.01097 -0.00757 -0.00436 0.01489 -0.02348
196 15G+2 -0.02649 0.02029 0.01534 -0.00450 0.08581
197 15G-2 -0.01530 -0.03514 -0.00450 0.02054 -0.02867
198 15G+3 -0.03741 0.00000 -0.04381 -0.02529 0.04866
199 15G-3 0.00000 -0.00796 0.00803 -0.01392 0.04107
200 15G+4 0.06395 0.00326 0.02431 0.04027 0.04374
201 15G-4 -0.03692 0.00565 -0.04027 0.02220 -0.03018
202 4 H 1S 0.00000 0.11794 0.00634 0.01098 -0.01184
203 2S 0.00000 2.12571 -1.47892 -2.56156 -0.16759
204 3S 0.00000 -1.69858 4.78095 8.28086 0.86990
205 4S 0.00000 -2.22665 1.12852 1.95465 0.28720
206 5S 0.00000 0.10722 0.08982 0.15557 -0.00377
207 6PX 0.01603 -0.17195 0.07327 0.11066 -0.00064
208 6PY -0.02777 -0.09927 0.02605 0.07327 0.00181
209 6PZ 0.00000 -0.07183 0.02555 0.04425 0.01618
210 7PX -0.05765 1.49750 -0.80153 -1.21682 0.02347
211 7PY 0.09986 0.86458 -0.29129 -0.80153 -0.06391
212 7PZ 0.00000 0.63971 -0.32111 -0.55617 -0.08159
213 8PX -1.86417 -2.52248 4.48185 5.04501 0.39894
214 8PY 3.22883 -1.45636 -0.13018 4.48185 0.33747
215 8PZ 0.00000 0.35142 2.45730 4.25617 -0.39300
216 9PX -0.36333 -1.03679 1.20733 1.58852 0.06197
217 9PY 0.62931 -0.59859 0.19441 1.20733 0.14414
218 9PZ 0.00000 -0.17442 0.60716 1.05163 -0.11333
219 10D 0 0.00000 -0.06905 -0.00050 -0.00086 -0.00070
220 10D+1 0.04504 -0.01966 -0.09484 -0.15013 0.08284
221 10D-1 -0.07800 -0.01135 -0.04062 -0.09484 0.06042
222 10D+2 0.17839 0.02315 -0.11335 -0.00680 -0.04785
223 10D-2 -0.10299 0.04009 -0.00680 -0.12121 -0.04434
224 11D 0 0.00000 0.60390 -0.02607 -0.04516 -0.05108
225 11D+1 -0.36814 0.28781 0.88237 1.34094 -0.23264
226 11D-1 0.63763 0.16617 0.32207 0.88237 -0.19750
227 11D+2 -1.57650 -0.15825 1.24190 0.00109 0.17284
228 11D-2 0.91019 -0.27410 0.00109 1.24316 0.21857
229 12D 0 0.00000 0.89823 -0.27658 -0.47905 -0.01878
230 12D+1 -0.39424 -0.34062 1.34182 1.76599 -0.09585
231 12D-1 0.68284 -0.19665 0.21659 1.34182 -0.15249
232 12D+2 -1.17695 -0.52683 1.34066 0.47560 -0.04184
233 12D-2 0.67951 -0.91250 0.47560 1.88984 0.15199
234 13F 0 0.00000 -0.03599 0.01909 0.03306 -0.19936
235 13F+1 0.00547 -0.03272 0.01420 -0.00074 -0.05489
236 13F-1 -0.00948 -0.01889 -0.01714 0.01420 0.03833
237 13F+2 0.04066 0.02784 0.01016 -0.05659 0.03564
238 13F-2 -0.02347 0.04821 -0.05659 -0.05519 0.01047
239 13F+3 -0.00045 0.00000 -0.02245 0.01296 -0.02374
240 13F-3 0.00000 0.02459 -0.01660 -0.02876 -0.12623
241 14F 0 0.00000 0.24571 -0.32217 -0.55802 0.27654
242 14F+1 0.01234 0.46682 -0.00097 0.15326 0.04635
243 14F-1 -0.02138 0.26952 0.15438 -0.00097 -0.08128
244 14F+2 -0.57752 -0.06970 0.54235 0.35738 -0.00722
245 14F-2 0.33343 -0.12072 0.35738 0.95501 -0.08499
246 14F+3 -0.86967 0.00000 0.59423 -0.34308 -0.00717
247 14F-3 0.00000 -0.29912 0.34268 0.59354 0.21142
248 15G 0 0.00000 -0.01199 -0.02277 -0.03945 -0.05934
249 15G+1 0.00633 -0.01312 -0.01489 -0.02156 -0.10275
250 15G-1 -0.01097 -0.00757 -0.00436 -0.01489 0.02348
251 15G+2 0.02649 0.02029 0.01534 0.00450 -0.08581
252 15G-2 -0.01530 0.03514 0.00450 0.02054 -0.02867
253 15G+3 -0.03741 0.00000 0.04381 -0.02529 0.04866
254 15G-3 0.00000 -0.00796 0.00803 0.01392 -0.04107
255 15G+4 -0.06395 0.00326 0.02431 -0.04027 -0.04374
256 15G-4 -0.03692 -0.00565 0.04027 0.02220 -0.03018
146 147 148 149 150
(E)--V (E)--V (E)--V (A1)--V (A2)--V
Eigenvalues -- 10.98775 11.11638 11.11638 11.11682 11.45050
1 1 N 1S 0.00000 0.00000 0.00000 0.04425 0.00000
2 2S 0.00000 0.00000 0.00000 -1.70138 0.00000
3 3S 0.00000 0.00000 0.00000 -8.08571 0.00000
4 4S 0.00000 0.00000 0.00000 12.90898 0.00000
5 5S 0.00000 0.00000 0.00000 32.76657 0.00000
6 6S 0.00000 0.00000 0.00000 9.65270 0.00000
7 7PX 0.00000 0.14918 0.00000 0.00000 0.00000
8 7PY -0.06627 0.00000 0.14918 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 -0.26100 0.00000
10 8PX 0.00000 -0.08155 0.00000 0.00000 0.00000
11 8PY 0.05955 0.00000 -0.08155 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.91809 0.00000
13 9PX 0.00000 -1.19738 0.00000 0.00000 0.00000
14 9PY -0.01709 0.00000 -1.19738 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 -9.99740 0.00000
16 10PX 0.00000 1.20260 0.00000 0.00000 0.00000
17 10PY -0.97032 0.00000 1.20260 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 -5.68695 0.00000
19 11PX 0.00000 0.11726 0.00000 0.00000 0.00000
20 11PY -0.10666 0.00000 0.11726 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 -0.80327 0.00000
22 12D 0 0.00000 0.00000 0.00000 0.03471 0.00000
23 12D+1 0.00000 0.02664 0.00000 0.00000 0.00000
24 12D-1 -0.01006 0.00000 0.02664 0.00000 0.00000
25 12D+2 -0.01245 0.00000 0.00864 0.00000 0.00000
26 12D-2 0.00000 0.00864 0.00000 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 -0.42859 0.00000
28 13D+1 0.00000 0.19151 0.00000 0.00000 0.00000
29 13D-1 -0.08795 0.00000 0.19151 0.00000 0.00000
30 13D+2 -0.00484 0.00000 0.13083 0.00000 0.00000
31 13D-2 0.00000 0.13083 0.00000 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 -1.98790 0.00000
33 14D+1 0.00000 -0.69570 0.00000 0.00000 0.00000
34 14D-1 0.64564 0.00000 -0.69570 0.00000 0.00000
35 14D+2 0.11109 0.00000 -0.48067 0.00000 0.00000
36 14D-2 0.00000 -0.48067 0.00000 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 -0.50745 0.00000
38 15D+1 0.00000 -0.76459 0.00000 0.00000 0.00000
39 15D-1 0.70955 0.00000 -0.76459 0.00000 0.00000
40 15D+2 0.01107 0.00000 -0.44767 0.00000 0.00000
41 15D-2 0.00000 -0.44767 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 -0.01789 0.00000
43 16F+1 0.00000 0.04775 0.00000 0.00000 0.00000
44 16F-1 -0.05958 0.00000 0.04775 0.00000 0.00000
45 16F+2 -0.00334 0.00000 0.06490 0.00000 0.00000
46 16F-2 0.00000 0.06490 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 -0.06770
48 16F-3 0.00000 0.00000 0.00000 0.03460 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.93300 0.00000
50 17F+1 0.00000 0.25821 0.00000 0.00000 0.00000
51 17F-1 -0.16779 0.00000 0.25821 0.00000 0.00000
52 17F+2 -0.16023 0.00000 0.29094 0.00000 0.00000
53 17F-2 0.00000 0.29094 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 -0.02591
55 17F-3 0.00000 0.00000 0.00000 -1.19847 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.66185 0.00000
57 18F+1 0.00000 0.52253 0.00000 0.00000 0.00000
58 18F-1 -0.71456 0.00000 0.52253 0.00000 0.00000
59 18F+2 0.11436 0.00000 0.55909 0.00000 0.00000
60 18F-2 0.00000 0.55909 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 1.20349
62 18F-3 0.00000 0.00000 0.00000 -0.31311 0.00000
63 19G 0 0.00000 0.00000 0.00000 -0.00289 0.00000
64 19G+1 0.00000 0.07532 0.00000 0.00000 0.00000
65 19G-1 0.08335 0.00000 0.07532 0.00000 0.00000
66 19G+2 0.05107 0.00000 -0.02086 0.00000 0.00000
67 19G-2 0.00000 -0.02086 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.17026
69 19G-3 0.00000 0.00000 0.00000 0.06337 0.00000
70 19G+4 -0.03429 0.00000 -0.13040 0.00000 0.00000
71 19G-4 0.00000 0.13040 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 -0.13406 0.00000
73 20G+1 0.00000 -0.03391 0.00000 0.00000 0.00000
74 20G-1 0.29164 0.00000 -0.03391 0.00000 0.00000
75 20G+2 0.06943 0.00000 -0.29601 0.00000 0.00000
76 20G-2 0.00000 -0.29601 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 -0.05245
78 20G-3 0.00000 0.00000 0.00000 0.07404 0.00000
79 20G+4 0.06889 0.00000 -0.35275 0.00000 0.00000
80 20G-4 0.00000 0.35275 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 -0.13213 0.00000
82 21H+1 0.00000 -0.67075 0.00000 0.00000 0.00000
83 21H-1 0.24690 0.00000 -0.67075 0.00000 0.00000
84 21H+2 -0.58423 0.00000 -0.15515 0.00000 0.00000
85 21H-2 0.00000 -0.15515 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 -0.70639
87 21H-3 0.00000 0.00000 0.00000 0.08243 0.00000
88 21H+4 0.02911 0.00000 0.30911 0.00000 0.00000
89 21H-4 0.00000 -0.30911 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.00157 0.00000 0.00000 0.00000
91 21H-5 -0.41945 0.00000 -0.00157 0.00000 0.00000
92 2 H 1S -0.01367 0.00000 0.00319 -0.31578 0.00000
93 2S -0.19352 0.00000 -0.16453 2.36653 0.00000
94 3S 1.00448 0.00000 -0.91188 -13.14994 0.00000
95 4S 0.33163 0.00000 -0.27071 -5.26064 0.00000
96 5S -0.00435 0.00000 -0.00530 -0.17256 0.00000
97 6PX 0.00000 -0.00928 0.00000 0.00000 0.00720
98 6PY -0.00040 0.00000 -0.03235 -0.01081 0.00000
99 6PZ 0.01869 0.00000 -0.01307 0.01853 0.00000
100 7PX 0.00000 0.15525 0.00000 0.00000 -0.06131
101 7PY 0.01343 0.00000 0.23533 -0.61732 0.00000
102 7PZ -0.09422 0.00000 0.10918 0.16376 0.00000
103 8PX 0.00000 0.44765 0.00000 0.00000 0.57105
104 8PY -0.59378 0.00000 0.18550 7.81895 0.00000
105 8PZ -0.45380 0.00000 0.79730 -2.86998 0.00000
106 9PX 0.00000 -0.05033 0.00000 0.00000 0.09531
107 9PY -0.14519 0.00000 -0.01003 3.55442 0.00000
108 9PZ -0.13086 0.00000 0.13031 -1.25189 0.00000
109 10D 0 -0.00081 0.00000 -0.15693 -0.01385 0.00000
110 10D+1 0.00000 -0.07197 0.00000 0.00000 -0.05391
111 10D-1 -0.11772 0.00000 0.10131 -0.10790 0.00000
112 10D+2 0.07197 0.00000 0.00237 -0.08241 0.00000
113 10D-2 0.00000 0.12266 0.00000 0.00000 -0.12620
114 11D 0 -0.05898 0.00000 0.52956 0.54669 0.00000
115 11D+1 0.00000 0.21884 0.00000 0.00000 0.19730
116 11D-1 0.34667 0.00000 -0.39546 1.11144 0.00000
117 11D+2 -0.31836 0.00000 0.07146 1.28895 0.00000
118 11D-2 0.00000 -0.42722 0.00000 0.00000 0.12458
119 12D 0 -0.02169 0.00000 0.00997 0.98262 0.00000
120 12D+1 0.00000 0.13494 0.00000 0.00000 0.32279
121 12D-1 0.18389 0.00000 -0.30241 1.56803 0.00000
122 12D+2 -0.12783 0.00000 -0.13640 2.13588 0.00000
123 12D-2 0.00000 -0.05092 0.00000 0.00000 -0.06826
124 13F 0 -0.23020 0.00000 -0.05022 0.00959 0.00000
125 13F+1 0.00000 -0.05696 0.00000 0.00000 -0.12286
126 13F-1 0.03276 0.00000 0.21533 0.00024 0.00000
127 13F+2 -0.03105 0.00000 -0.03391 -0.04720 0.00000
128 13F-2 0.00000 0.07632 0.00000 0.00000 0.16191
129 13F+3 0.00000 0.08376 0.00000 0.00000 -0.23314
130 13F-3 -0.14576 0.00000 -0.21403 -0.02988 0.00000
131 14F 0 0.31932 0.00000 -0.00087 0.50905 0.00000
132 14F+1 0.00000 0.01369 0.00000 0.00000 0.23874
133 14F-1 0.00057 0.00000 -0.30620 -0.23800 0.00000
134 14F+2 0.08916 0.00000 -0.09658 0.66534 0.00000
135 14F-2 0.00000 -0.20214 0.00000 0.00000 -0.26393
136 14F+3 0.00000 -0.14577 0.00000 0.00000 0.27141
137 14F-3 0.24413 0.00000 0.20520 -0.64049 0.00000
138 15G 0 -0.06852 0.00000 0.10339 0.02849 0.00000
139 15G+1 0.00000 0.07089 0.00000 0.00000 0.06831
140 15G-1 0.08919 0.00000 -0.00605 -0.07596 0.00000
141 15G+2 0.07821 0.00000 -0.06813 -0.01819 0.00000
142 15G-2 0.00000 0.04646 0.00000 0.00000 0.08356
143 15G+3 0.00000 -0.03430 0.00000 0.00000 0.04342
144 15G-3 -0.04743 0.00000 0.10648 -0.12358 0.00000
145 15G+4 -0.00493 0.00000 -0.16562 -0.08155 0.00000
146 15G-4 0.00000 0.01654 0.00000 0.00000 0.09060
147 3 H 1S 0.00684 0.00277 -0.00160 -0.31578 0.00000
148 2S 0.09676 -0.14249 0.08226 2.36653 0.00000
149 3S -0.50224 -0.78971 0.45594 -13.14994 0.00000
150 4S -0.16582 -0.23444 0.13536 -5.26064 0.00000
151 5S 0.00218 -0.00459 0.00265 -0.17256 0.00000
152 6PX 0.00181 -0.02658 0.00999 -0.00936 -0.00360
153 6PY 0.00273 0.00999 -0.01505 0.00540 -0.00623
154 6PZ -0.00934 -0.01132 0.00653 0.01853 0.00000
155 7PX -0.06391 0.21531 -0.03468 -0.53461 0.03066
156 7PY -0.09726 -0.03468 0.17527 0.30866 0.05310
157 7PZ 0.04711 0.09455 -0.05459 0.16376 0.00000
158 8PX 0.33747 0.25104 0.11351 6.77141 -0.28552
159 8PY -0.00926 0.11351 0.38211 -3.90947 -0.49454
160 8PZ 0.22690 0.69048 -0.39865 -2.86998 0.00000
161 9PX 0.14414 -0.02010 -0.01745 3.07822 -0.04766
162 9PY 0.10446 -0.01745 -0.04025 -1.77721 -0.08254
163 9PZ 0.06543 0.11285 -0.06515 -1.25189 0.00000
164 10D 0 0.00040 -0.13590 0.07846 -0.01385 0.00000
165 10D+1 0.06042 0.05799 -0.07503 -0.09345 0.02695
166 10D-1 -0.01307 -0.07503 -0.02865 0.05395 0.04669
167 10D+2 -0.01091 0.05209 0.09259 0.04120 0.10929
168 10D-2 -0.04785 0.03244 0.05209 -0.07137 0.06310
169 11D 0 0.02949 0.45862 -0.26478 0.54669 0.00000
170 11D+1 -0.19750 -0.24188 0.26600 0.96253 -0.09865
171 11D-1 0.00459 0.26600 0.06526 -0.55572 -0.17087
172 11D+2 -0.01899 -0.21593 -0.30255 -0.64448 -0.10789
173 11D-2 0.17284 -0.05321 -0.21593 1.11626 -0.06229
174 12D 0 0.01084 0.00864 -0.00499 0.98262 0.00000
175 12D+1 -0.15249 -0.19307 0.18938 1.35795 -0.16140
176 12D-1 -0.08023 0.18938 0.02560 -0.78402 -0.27955
177 12D+2 -0.20030 0.03702 -0.07229 -1.06794 0.05912
178 12D-2 -0.04184 -0.11503 0.03702 1.84972 0.03413
179 13F 0 0.11510 -0.04350 0.02511 0.00959 0.00000
180 13F+1 0.03833 0.14726 -0.11790 0.00021 0.06143
181 13F-1 0.09915 -0.11790 0.01111 -0.00012 0.10640
182 13F+2 0.03068 0.04773 0.04876 0.02360 -0.14022
183 13F-2 0.03564 -0.00636 0.04773 -0.04087 -0.08096
184 13F+3 0.04111 -0.04188 -0.07254 0.00000 -0.23314
185 13F-3 0.07288 -0.18536 0.10702 -0.02988 0.00000
186 14F 0 -0.15966 -0.00075 0.00044 0.50905 0.00000
187 14F+1 -0.08128 -0.22623 0.13851 -0.20611 -0.11937
188 14F-1 -0.14021 0.13851 -0.06629 0.11900 -0.20676
189 14F+2 0.07666 -0.04571 -0.17575 -0.33267 0.22857
190 14F-2 -0.00722 -0.12297 -0.04571 0.57620 0.13197
191 14F+3 0.01242 0.07288 0.12624 0.00000 0.27141
192 14F-3 -0.12206 0.17771 -0.10260 -0.64049 0.00000
193 15G 0 0.03426 0.08954 -0.05169 0.02849 0.00000
194 15G+1 0.02348 0.01319 0.03332 -0.06579 -0.03415
195 15G-1 0.12985 0.03332 0.05166 0.03798 -0.05916
196 15G+2 -0.07041 0.04962 0.01781 0.00909 -0.07236
197 15G-2 -0.08581 -0.03948 0.04962 -0.01575 -0.04178
198 15G+3 -0.08427 0.01715 0.02971 0.00000 0.04342
199 15G-3 0.02371 0.09222 -0.05324 -0.12358 0.00000
200 15G+4 -0.08069 0.06456 -0.05381 0.04077 0.07846
201 15G-4 0.04374 0.12835 -0.06456 0.07062 -0.04530
202 4 H 1S 0.00684 -0.00277 -0.00160 -0.31578 0.00000
203 2S 0.09676 0.14249 0.08226 2.36653 0.00000
204 3S -0.50224 0.78971 0.45594 -13.14994 0.00000
205 4S -0.16582 0.23444 0.13536 -5.26064 0.00000
206 5S 0.00218 0.00459 0.00265 -0.17256 0.00000
207 6PX -0.00181 -0.02658 -0.00999 0.00936 -0.00360
208 6PY 0.00273 -0.00999 -0.01505 0.00540 0.00623
209 6PZ -0.00934 0.01132 0.00653 0.01853 0.00000
210 7PX 0.06391 0.21531 0.03468 0.53461 0.03066
211 7PY -0.09726 0.03468 0.17527 0.30866 -0.05310
212 7PZ 0.04711 -0.09455 -0.05459 0.16376 0.00000
213 8PX -0.33747 0.25104 -0.11351 -6.77141 -0.28552
214 8PY -0.00926 -0.11351 0.38211 -3.90947 0.49454
215 8PZ 0.22690 -0.69048 -0.39865 -2.86998 0.00000
216 9PX -0.14414 -0.02010 0.01745 -3.07822 -0.04766
217 9PY 0.10446 0.01745 -0.04025 -1.77721 0.08254
218 9PZ 0.06543 -0.11285 -0.06515 -1.25189 0.00000
219 10D 0 0.00040 0.13590 0.07846 -0.01385 0.00000
220 10D+1 -0.06042 0.05799 0.07503 0.09345 0.02695
221 10D-1 -0.01307 0.07503 -0.02865 0.05395 -0.04669
222 10D+2 -0.01091 -0.05209 0.09259 0.04120 -0.10929
223 10D-2 0.04785 0.03244 -0.05209 0.07137 0.06310
224 11D 0 0.02949 -0.45862 -0.26478 0.54669 0.00000
225 11D+1 0.19750 -0.24188 -0.26600 -0.96253 -0.09865
226 11D-1 0.00459 -0.26600 0.06526 -0.55572 0.17087
227 11D+2 -0.01899 0.21593 -0.30255 -0.64448 0.10789
228 11D-2 -0.17284 -0.05321 0.21593 -1.11626 -0.06229
229 12D 0 0.01084 -0.00864 -0.00499 0.98262 0.00000
230 12D+1 0.15249 -0.19307 -0.18938 -1.35795 -0.16140
231 12D-1 -0.08023 -0.18938 0.02560 -0.78402 0.27955
232 12D+2 -0.20030 -0.03702 -0.07229 -1.06794 -0.05912
233 12D-2 0.04184 -0.11503 -0.03702 -1.84972 0.03413
234 13F 0 0.11510 0.04350 0.02511 0.00959 0.00000
235 13F+1 -0.03833 0.14726 0.11790 -0.00021 0.06143
236 13F-1 0.09915 0.11790 0.01111 -0.00012 -0.10640
237 13F+2 0.03068 -0.04773 0.04876 0.02360 0.14022
238 13F-2 -0.03564 -0.00636 -0.04773 0.04087 -0.08096
239 13F+3 -0.04111 -0.04188 0.07254 0.00000 -0.23314
240 13F-3 0.07288 0.18536 0.10702 -0.02988 0.00000
241 14F 0 -0.15966 0.00075 0.00044 0.50905 0.00000
242 14F+1 0.08128 -0.22623 -0.13851 0.20611 -0.11937
243 14F-1 -0.14021 -0.13851 -0.06629 0.11900 0.20676
244 14F+2 0.07666 0.04571 -0.17575 -0.33267 -0.22857
245 14F-2 0.00722 -0.12297 0.04571 -0.57620 0.13197
246 14F+3 -0.01242 0.07288 -0.12624 0.00000 0.27141
247 14F-3 -0.12206 -0.17771 -0.10260 -0.64049 0.00000
248 15G 0 0.03426 -0.08954 -0.05169 0.02849 0.00000
249 15G+1 -0.02348 0.01319 -0.03332 0.06579 -0.03415
250 15G-1 0.12985 -0.03332 0.05166 0.03798 0.05916
251 15G+2 -0.07041 -0.04962 0.01781 0.00909 0.07236
252 15G-2 0.08581 -0.03948 -0.04962 0.01575 -0.04178
253 15G+3 0.08427 0.01715 -0.02971 0.00000 0.04342
254 15G-3 0.02371 -0.09222 -0.05324 -0.12358 0.00000
255 15G+4 -0.08069 -0.06456 -0.05381 0.04077 -0.07846
256 15G-4 -0.04374 0.12835 0.06456 -0.07062 -0.04530
151 152 153 154 155
(A1)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 11.54136 11.91831 11.91831 11.93247 12.10863
1 1 N 1S -0.01199 0.00000 0.00000 0.02699 0.00000
2 2S -0.04683 0.00000 0.00000 -0.37695 0.00000
3 3S -0.46202 0.00000 0.00000 -1.89097 0.00000
4 4S 0.41493 0.00000 0.00000 5.03666 0.00000
5 5S 11.78209 0.00000 0.00000 -1.63888 0.00000
6 6S 3.74142 0.00000 0.00000 0.53278 0.00000
7 7PX 0.00000 -0.19394 0.00000 0.00000 0.00000
8 7PY 0.00000 0.00000 -0.19394 0.00000 0.63637
9 7PZ -0.13393 0.00000 0.00000 0.39185 0.00000
10 8PX 0.00000 0.27524 0.00000 0.00000 0.00000
11 8PY 0.00000 0.00000 0.27524 0.00000 -0.96442
12 8PZ 0.15155 0.00000 0.00000 -0.37437 0.00000
13 9PX 0.00000 1.29734 0.00000 0.00000 0.00000
14 9PY 0.00000 0.00000 1.29734 0.00000 1.77578
15 9PZ -1.60777 0.00000 0.00000 -2.33961 0.00000
16 10PX 0.00000 -0.66533 0.00000 0.00000 0.00000
17 10PY 0.00000 0.00000 -0.66533 0.00000 1.37943
18 10PZ -2.03763 0.00000 0.00000 0.25841 0.00000
19 11PX 0.00000 -0.19183 0.00000 0.00000 0.00000
20 11PY 0.00000 0.00000 -0.19183 0.00000 0.06373
21 11PZ -0.33310 0.00000 0.00000 -0.17866 0.00000
22 12D 0 0.01450 0.00000 0.00000 -0.08316 0.00000
23 12D+1 0.00000 0.00337 0.00000 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00337 0.00000 0.01501
25 12D+2 0.00000 0.00000 -0.06654 0.00000 0.07873
26 12D-2 0.00000 -0.06654 0.00000 0.00000 0.00000
27 13D 0 -0.06029 0.00000 0.00000 -0.42764 0.00000
28 13D+1 0.00000 0.06102 0.00000 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.06102 0.00000 -0.32503
30 13D+2 0.00000 0.00000 -0.45714 0.00000 -0.15537
31 13D-2 0.00000 -0.45714 0.00000 0.00000 0.00000
32 14D 0 -0.62750 0.00000 0.00000 2.14964 0.00000
33 14D+1 0.00000 -1.33565 0.00000 0.00000 0.00000
34 14D-1 0.00000 0.00000 -1.33565 0.00000 1.08078
35 14D+2 0.00000 0.00000 3.00198 0.00000 -0.49536
36 14D-2 0.00000 3.00198 0.00000 0.00000 0.00000
37 15D 0 -0.05401 0.00000 0.00000 0.42616 0.00000
38 15D+1 0.00000 0.20722 0.00000 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.20722 0.00000 0.20280
40 15D+2 0.00000 0.00000 0.73973 0.00000 0.02318
41 15D-2 0.00000 0.73973 0.00000 0.00000 0.00000
42 16F 0 -0.12072 0.00000 0.00000 0.07021 0.00000
43 16F+1 0.00000 0.14442 0.00000 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.14442 0.00000 0.00208
45 16F+2 0.00000 0.00000 -0.05859 0.00000 -0.07200
46 16F-2 0.00000 -0.05859 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.04303 0.00000 0.00000 0.06953 0.00000
49 17F 0 0.01556 0.00000 0.00000 0.12525 0.00000
50 17F+1 0.00000 0.28729 0.00000 0.00000 0.00000
51 17F-1 0.00000 0.00000 0.28729 0.00000 -0.28538
52 17F+2 0.00000 0.00000 -0.39878 0.00000 -0.10697
53 17F-2 0.00000 -0.39878 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 -0.03507 0.00000 0.00000 0.22043 0.00000
56 18F 0 -0.60712 0.00000 0.00000 -0.57725 0.00000
57 18F+1 0.00000 0.33327 0.00000 0.00000 0.00000
58 18F-1 0.00000 0.00000 0.33327 0.00000 -0.77826
59 18F+2 0.00000 0.00000 -0.56231 0.00000 -0.39941
60 18F-2 0.00000 -0.56231 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 -0.87568 0.00000 0.00000 0.51784 0.00000
63 19G 0 0.02459 0.00000 0.00000 -0.13736 0.00000
64 19G+1 0.00000 0.02845 0.00000 0.00000 0.00000
65 19G-1 0.00000 0.00000 0.02845 0.00000 -0.06766
66 19G+2 0.00000 0.00000 -0.20054 0.00000 -0.05988
67 19G-2 0.00000 -0.20054 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 -0.02889 0.00000 0.00000 0.08901 0.00000
70 19G+4 0.00000 0.00000 0.03575 0.00000 -0.07539
71 19G-4 0.00000 -0.03575 0.00000 0.00000 0.00000
72 20G 0 0.32380 0.00000 0.00000 -0.35621 0.00000
73 20G+1 0.00000 -0.11447 0.00000 0.00000 0.00000
74 20G-1 0.00000 0.00000 -0.11447 0.00000 -0.05806
75 20G+2 0.00000 0.00000 -0.12743 0.00000 0.31079
76 20G-2 0.00000 -0.12743 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 -0.32261 0.00000 0.00000 -0.03477 0.00000
79 20G+4 0.00000 0.00000 0.13014 0.00000 -0.03641
80 20G-4 0.00000 -0.13014 0.00000 0.00000 0.00000
81 21H 0 0.74654 0.00000 0.00000 0.47185 0.00000
82 21H+1 0.00000 -0.17252 0.00000 0.00000 0.00000
83 21H-1 0.00000 0.00000 -0.17252 0.00000 0.35624
84 21H+2 0.00000 0.00000 0.40668 0.00000 0.17431
85 21H-2 0.00000 0.40668 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.44589 0.00000 0.00000 -0.54331 0.00000
88 21H+4 0.00000 0.00000 -0.07924 0.00000 0.49045
89 21H-4 0.00000 0.07924 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.61624 0.00000 0.00000 0.00000
91 21H-5 0.00000 0.00000 -0.61624 0.00000 -0.12687
92 2 H 1S 0.02615 0.00000 0.09460 -0.03439 0.06662
93 2S 0.95056 0.00000 0.66548 0.52404 0.77278
94 3S -3.90049 0.00000 0.38042 0.13996 -1.62422
95 4S -2.21158 0.00000 0.21808 -0.52639 -1.01579
96 5S -0.01002 0.00000 0.10461 0.01539 0.09164
97 6PX 0.00000 0.02253 0.00000 0.00000 0.00000
98 6PY 0.07946 0.00000 0.10935 0.02033 0.14361
99 6PZ -0.03209 0.00000 -0.07679 -0.03405 -0.04260
100 7PX 0.00000 -0.11916 0.00000 0.00000 0.00000
101 7PY -0.65853 0.00000 -0.58769 -0.12241 -0.62982
102 7PZ 0.19633 0.00000 0.34496 0.26093 0.26225
103 8PX 0.00000 -1.48032 0.00000 0.00000 0.00000
104 8PY 2.16502 0.00000 0.86589 0.78562 0.73960
105 8PZ -1.23376 0.00000 0.51202 0.49327 -1.58905
106 9PX 0.00000 -0.17319 0.00000 0.00000 0.00000
107 9PY 1.26419 0.00000 0.08603 0.37379 0.44785
108 9PZ -0.45504 0.00000 0.15454 -0.02242 -0.52982
109 10D 0 0.08072 0.00000 -0.15889 -0.17234 0.08714
110 10D+1 0.00000 0.17301 0.00000 0.00000 0.00000
111 10D-1 0.01719 0.00000 0.15503 0.15279 0.09554
112 10D+2 0.04216 0.00000 -0.05159 -0.16888 0.15573
113 10D-2 0.00000 -0.15303 0.00000 0.00000 0.00000
114 11D 0 -0.20314 0.00000 0.46462 0.50076 -0.33127
115 11D+1 0.00000 -0.50688 0.00000 0.00000 0.00000
116 11D-1 0.18364 0.00000 -0.43414 -0.41596 0.22140
117 11D+2 0.09418 0.00000 0.19570 0.56418 -0.27106
118 11D-2 0.00000 0.88591 0.00000 0.00000 0.00000
119 12D 0 -0.04791 0.00000 0.35643 0.19188 -0.16009
120 12D+1 0.00000 -0.20327 0.00000 0.00000 0.00000
121 12D-1 0.43564 0.00000 -0.00683 0.05031 0.70458
122 12D+2 0.81953 0.00000 0.40580 0.48339 0.10046
123 12D-2 0.00000 0.55511 0.00000 0.00000 0.00000
124 13F 0 0.13773 0.00000 -0.19648 0.04421 0.09824
125 13F+1 0.00000 0.10105 0.00000 0.00000 0.00000
126 13F-1 -0.03791 0.00000 0.18766 0.13200 -0.06284
127 13F+2 -0.07920 0.00000 0.06480 0.05169 0.18792
128 13F-2 0.00000 -0.33319 0.00000 0.00000 0.00000
129 13F+3 0.00000 -0.02517 0.00000 0.00000 0.00000
130 13F-3 -0.00588 0.00000 0.13347 0.26595 -0.08118
131 14F 0 -0.17056 0.00000 0.13786 -0.04142 -0.00499
132 14F+1 0.00000 -0.05113 0.00000 0.00000 0.00000
133 14F-1 0.15348 0.00000 -0.43409 -0.34189 0.24493
134 14F+2 0.11366 0.00000 -0.07529 -0.01918 0.00158
135 14F-2 0.00000 0.49279 0.00000 0.00000 0.00000
136 14F+3 0.00000 0.43979 0.00000 0.00000 0.00000
137 14F-3 -0.21519 0.00000 -0.19247 -0.49188 0.17551
138 15G 0 0.03206 0.00000 -0.12564 -0.07701 0.09633
139 15G+1 0.00000 0.09727 0.00000 0.00000 0.00000
140 15G-1 -0.12154 0.00000 0.00882 -0.03781 -0.04316
141 15G+2 0.06528 0.00000 0.01450 -0.02779 0.03668
142 15G-2 0.00000 0.02664 0.00000 0.00000 0.00000
143 15G+3 0.00000 -0.01381 0.00000 0.00000 0.00000
144 15G-3 0.10653 0.00000 -0.01850 -0.00601 -0.15402
145 15G+4 -0.07033 0.00000 -0.00397 0.01266 -0.05423
146 15G-4 0.00000 -0.17220 0.00000 0.00000 0.00000
147 3 H 1S 0.02615 0.08193 -0.04730 -0.03439 -0.03331
148 2S 0.95056 0.57632 -0.33274 0.52404 -0.38639
149 3S -3.90049 0.32945 -0.19021 0.13996 0.81211
150 4S -2.21158 0.18886 -0.10904 -0.52639 0.50790
151 5S -0.01002 0.09060 -0.05231 0.01539 -0.04582
152 6PX 0.06882 0.08765 -0.03759 0.01761 -0.06763
153 6PY -0.03973 -0.03759 0.04424 -0.01017 0.02647
154 6PZ -0.03209 -0.06650 0.03839 -0.03405 0.02130
155 7PX -0.57030 -0.47056 0.20288 -0.10601 0.34260
156 7PY 0.32927 0.20288 -0.23630 0.06120 -0.03642
157 7PZ 0.19633 0.29874 -0.17248 0.26093 -0.13112
158 8PX 1.87496 0.27934 -1.01594 0.68037 -0.40326
159 8PY -1.08251 -1.01594 -0.89377 -0.39281 0.04113
160 8PZ -1.23376 0.44342 -0.25601 0.49327 0.79452
161 9PX 1.09482 0.02123 -0.11225 0.32371 -0.26053
162 9PY -0.63209 -0.11225 -0.10838 -0.18690 -0.00341
163 9PZ -0.45504 0.13383 -0.07727 -0.02242 0.26491
164 10D 0 0.08072 -0.13760 0.07944 -0.17234 -0.04357
165 10D+1 0.01489 0.15952 0.00779 0.13232 -0.03193
166 10D-1 -0.00859 0.00779 0.16852 -0.07639 0.04023
167 10D+2 -0.02108 -0.04392 -0.12767 0.08444 0.21663
168 10D-2 0.03651 -0.07695 -0.04392 -0.14625 0.03516
169 11D 0 -0.20314 0.40237 -0.23231 0.50076 0.16564
170 11D+1 0.15904 -0.45232 -0.03150 -0.36023 -0.08643
171 11D-1 -0.09182 -0.03150 -0.48870 0.20798 0.07170
172 11D+2 -0.04709 0.29887 0.71335 -0.28209 -0.31309
173 11D-2 0.08157 0.36825 0.29887 0.48860 -0.02427
174 12D 0 -0.04791 0.30868 -0.17822 0.19188 0.08005
175 12D+1 0.37727 -0.05594 -0.08506 0.04357 -0.39380
176 12D-1 -0.21782 -0.08506 -0.15416 -0.02516 0.02250
177 12D+2 -0.40977 0.06465 0.51779 -0.24170 0.13589
178 12D-2 0.70974 0.44313 0.06465 0.41863 0.02046
179 13F 0 0.13773 -0.17016 0.09824 0.04421 -0.04912
180 13F+1 -0.03283 0.16600 -0.03750 0.11432 0.14049
181 13F-1 0.01895 -0.03750 0.12270 -0.06600 0.18049
182 13F+2 0.03960 -0.17233 -0.23369 -0.02584 0.08742
183 13F-2 -0.06859 -0.03470 -0.17233 0.04476 -0.05802
184 13F+3 0.00000 0.01259 0.02180 0.00000 -0.14238
185 13F-3 -0.00588 0.11558 -0.06673 0.26595 0.04059
186 14F 0 -0.17056 0.11939 -0.06893 -0.04142 0.00249
187 14F+1 0.13292 -0.33835 0.16583 -0.29609 -0.17708
188 14F-1 -0.07674 0.16583 -0.14687 0.17095 -0.06179
189 14F+2 -0.05683 0.24598 0.35077 0.00959 0.03172
190 14F-2 0.09843 0.06673 0.24598 -0.01661 0.01740
191 14F+3 0.00000 -0.21989 -0.38087 0.00000 0.15910
192 14F-3 -0.21519 -0.16668 0.09624 -0.49188 -0.08775
193 15G 0 0.03206 -0.10881 0.06282 -0.07701 -0.04817
194 15G+1 -0.10525 0.03093 0.03830 -0.03275 0.04421
195 15G-1 0.06077 0.03830 0.07515 0.01891 0.03342
196 15G+2 -0.03264 0.00526 0.02360 0.01389 -0.00761
197 15G-2 0.05653 0.01753 0.00526 -0.02407 -0.02557
198 15G+3 0.00000 0.00691 0.01196 0.00000 0.03133
199 15G-3 0.10653 -0.01602 0.00925 -0.00601 0.07701
200 15G+4 0.03517 0.07629 0.12816 -0.00633 0.01926
201 15G-4 0.06091 -0.04007 -0.07629 -0.01096 -0.04243
202 4 H 1S 0.02615 -0.08193 -0.04730 -0.03439 -0.03331
203 2S 0.95056 -0.57632 -0.33274 0.52404 -0.38639
204 3S -3.90049 -0.32945 -0.19021 0.13996 0.81211
205 4S -2.21158 -0.18886 -0.10904 -0.52639 0.50790
206 5S -0.01002 -0.09060 -0.05231 0.01539 -0.04582
207 6PX -0.06882 0.08765 0.03759 -0.01761 0.06763
208 6PY -0.03973 0.03759 0.04424 -0.01017 0.02647
209 6PZ -0.03209 0.06650 0.03839 -0.03405 0.02130
210 7PX 0.57030 -0.47056 -0.20288 0.10601 -0.34260
211 7PY 0.32927 -0.20288 -0.23630 0.06120 -0.03642
212 7PZ 0.19633 -0.29874 -0.17248 0.26093 -0.13112
213 8PX -1.87496 0.27934 1.01594 -0.68037 0.40326
214 8PY -1.08251 1.01594 -0.89377 -0.39281 0.04113
215 8PZ -1.23376 -0.44342 -0.25601 0.49327 0.79452
216 9PX -1.09482 0.02123 0.11225 -0.32371 0.26053
217 9PY -0.63209 0.11225 -0.10838 -0.18690 -0.00341
218 9PZ -0.45504 -0.13383 -0.07727 -0.02242 0.26491
219 10D 0 0.08072 0.13760 0.07944 -0.17234 -0.04357
220 10D+1 -0.01489 0.15952 -0.00779 -0.13232 0.03193
221 10D-1 -0.00859 -0.00779 0.16852 -0.07639 0.04023
222 10D+2 -0.02108 0.04392 -0.12767 0.08444 0.21663
223 10D-2 -0.03651 -0.07695 0.04392 0.14625 -0.03516
224 11D 0 -0.20314 -0.40237 -0.23231 0.50076 0.16564
225 11D+1 -0.15904 -0.45232 0.03150 0.36023 0.08643
226 11D-1 -0.09182 0.03150 -0.48870 0.20798 0.07170
227 11D+2 -0.04709 -0.29887 0.71335 -0.28209 -0.31309
228 11D-2 -0.08157 0.36825 -0.29887 -0.48860 0.02427
229 12D 0 -0.04791 -0.30868 -0.17822 0.19188 0.08005
230 12D+1 -0.37727 -0.05594 0.08506 -0.04357 0.39380
231 12D-1 -0.21782 0.08506 -0.15416 -0.02516 0.02250
232 12D+2 -0.40977 -0.06465 0.51779 -0.24170 0.13589
233 12D-2 -0.70974 0.44313 -0.06465 -0.41863 -0.02046
234 13F 0 0.13773 0.17016 0.09824 0.04421 -0.04912
235 13F+1 0.03283 0.16600 0.03750 -0.11432 -0.14049
236 13F-1 0.01895 0.03750 0.12270 -0.06600 0.18049
237 13F+2 0.03960 0.17233 -0.23369 -0.02584 0.08742
238 13F-2 0.06859 -0.03470 0.17233 -0.04476 0.05802
239 13F+3 0.00000 0.01259 -0.02180 0.00000 0.14238
240 13F-3 -0.00588 -0.11558 -0.06673 0.26595 0.04059
241 14F 0 -0.17056 -0.11939 -0.06893 -0.04142 0.00249
242 14F+1 -0.13292 -0.33835 -0.16583 0.29609 0.17708
243 14F-1 -0.07674 -0.16583 -0.14687 0.17095 -0.06179
244 14F+2 -0.05683 -0.24598 0.35077 0.00959 0.03172
245 14F-2 -0.09843 0.06673 -0.24598 0.01661 -0.01740
246 14F+3 0.00000 -0.21989 0.38087 0.00000 -0.15910
247 14F-3 -0.21519 0.16668 0.09624 -0.49188 -0.08775
248 15G 0 0.03206 0.10881 0.06282 -0.07701 -0.04817
249 15G+1 0.10525 0.03093 -0.03830 0.03275 -0.04421
250 15G-1 0.06077 -0.03830 0.07515 0.01891 0.03342
251 15G+2 -0.03264 -0.00526 0.02360 0.01389 -0.00761
252 15G-2 -0.05653 0.01753 -0.00526 0.02407 0.02557
253 15G+3 0.00000 0.00691 -0.01196 0.00000 -0.03133
254 15G-3 0.10653 0.01602 0.00925 -0.00601 0.07701
255 15G+4 0.03517 -0.07629 0.12816 -0.00633 0.01926
256 15G-4 -0.06091 -0.04007 0.07629 0.01096 0.04243
156 157 158 159 160
(E)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 12.10863 12.50084 12.55434 12.55434 12.62665
1 1 N 1S 0.00000 -0.04103 0.00000 0.00000 0.00000
2 2S 0.00000 0.00797 0.00000 0.00000 0.00000
3 3S 0.00000 0.08886 0.00000 0.00000 0.00000
4 4S 0.00000 -1.43312 0.00000 0.00000 0.00000
5 5S 0.00000 3.80198 0.00000 0.00000 0.00000
6 6S 0.00000 1.11865 0.00000 0.00000 0.00000
7 7PX 0.63637 0.00000 -0.10794 0.00000 0.00000
8 7PY 0.00000 0.00000 0.00000 -0.10794 0.00000
9 7PZ 0.00000 -0.22300 0.00000 0.00000 0.00000
10 8PX -0.96442 0.00000 0.07081 0.00000 0.00000
11 8PY 0.00000 0.00000 0.00000 0.07081 0.00000
12 8PZ 0.00000 0.60400 0.00000 0.00000 0.00000
13 9PX 1.77578 0.00000 -0.53730 0.00000 0.00000
14 9PY 0.00000 0.00000 0.00000 -0.53730 0.00000
15 9PZ 0.00000 -1.20465 0.00000 0.00000 0.00000
16 10PX 1.37943 0.00000 0.90803 0.00000 0.00000
17 10PY 0.00000 0.00000 0.00000 0.90803 0.00000
18 10PZ 0.00000 -0.60801 0.00000 0.00000 0.00000
19 11PX 0.06373 0.00000 0.15328 0.00000 0.00000
20 11PY 0.00000 0.00000 0.00000 0.15328 0.00000
21 11PZ 0.00000 -0.02647 0.00000 0.00000 0.00000
22 12D 0 0.00000 -0.00301 0.00000 0.00000 0.00000
23 12D+1 0.01501 0.00000 0.01029 0.00000 0.00000
24 12D-1 0.00000 0.00000 0.00000 0.01029 0.00000
25 12D+2 0.00000 0.00000 0.00000 -0.01615 0.00000
26 12D-2 0.07873 0.00000 -0.01615 0.00000 0.00000
27 13D 0 0.00000 -0.09233 0.00000 0.00000 0.00000
28 13D+1 -0.32503 0.00000 0.12436 0.00000 0.00000
29 13D-1 0.00000 0.00000 0.00000 0.12436 0.00000
30 13D+2 0.00000 0.00000 0.00000 0.03844 0.00000
31 13D-2 -0.15537 0.00000 0.03844 0.00000 0.00000
32 14D 0 0.00000 0.14087 0.00000 0.00000 0.00000
33 14D+1 1.08078 0.00000 -0.47430 0.00000 0.00000
34 14D-1 0.00000 0.00000 0.00000 -0.47430 0.00000
35 14D+2 0.00000 0.00000 0.00000 0.44237 0.00000
36 14D-2 -0.49536 0.00000 0.44237 0.00000 0.00000
37 15D 0 0.00000 -0.18974 0.00000 0.00000 0.00000
38 15D+1 0.20280 0.00000 -0.61150 0.00000 0.00000
39 15D-1 0.00000 0.00000 0.00000 -0.61150 0.00000
40 15D+2 0.00000 0.00000 0.00000 0.04256 0.00000
41 15D-2 0.02318 0.00000 0.04256 0.00000 0.00000
42 16F 0 0.00000 -0.17223 0.00000 0.00000 0.00000
43 16F+1 0.00208 0.00000 0.00178 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.00178 0.00000
45 16F+2 0.00000 0.00000 0.00000 -0.00512 0.00000
46 16F-2 -0.07200 0.00000 -0.00512 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 -0.01494
48 16F-3 0.00000 0.29031 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.33181 0.00000 0.00000 0.00000
50 17F+1 -0.28538 0.00000 0.03325 0.00000 0.00000
51 17F-1 0.00000 0.00000 0.00000 0.03325 0.00000
52 17F+2 0.00000 0.00000 0.00000 -0.00775 0.00000
53 17F-2 -0.10697 0.00000 -0.00775 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.07702
55 17F-3 0.00000 -0.42225 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.03081 0.00000 0.00000 0.00000
57 18F+1 -0.77826 0.00000 0.34798 0.00000 0.00000
58 18F-1 0.00000 0.00000 0.00000 0.34798 0.00000
59 18F+2 0.00000 0.00000 0.00000 0.15761 0.00000
60 18F-2 -0.39941 0.00000 0.15761 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.65918
62 18F-3 0.00000 -0.03153 0.00000 0.00000 0.00000
63 19G 0 0.00000 -0.13644 0.00000 0.00000 0.00000
64 19G+1 -0.06766 0.00000 -0.11049 0.00000 0.00000
65 19G-1 0.00000 0.00000 0.00000 -0.11049 0.00000
66 19G+2 0.00000 0.00000 0.00000 0.04381 0.00000
67 19G-2 -0.05988 0.00000 0.04381 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.02409
69 19G-3 0.00000 0.00535 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 -0.10617 0.00000
71 19G-4 0.07539 0.00000 0.10617 0.00000 0.00000
72 20G 0 0.00000 -0.09559 0.00000 0.00000 0.00000
73 20G+1 -0.05806 0.00000 0.08285 0.00000 0.00000
74 20G-1 0.00000 0.00000 0.00000 0.08285 0.00000
75 20G+2 0.00000 0.00000 0.00000 -0.17067 0.00000
76 20G-2 0.31079 0.00000 -0.17067 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 -0.20023
78 20G-3 0.00000 0.17184 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 0.19384 0.00000
80 20G-4 0.03641 0.00000 -0.19384 0.00000 0.00000
81 21H 0 0.00000 -0.01817 0.00000 0.00000 0.00000
82 21H+1 0.35624 0.00000 -0.13625 0.00000 0.00000
83 21H-1 0.00000 0.00000 0.00000 -0.13625 0.00000
84 21H+2 0.00000 0.00000 0.00000 -0.04290 0.00000
85 21H-2 0.17431 0.00000 -0.04290 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 -0.07870
87 21H-3 0.00000 -0.09451 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 0.00000 -0.12276 0.00000
89 21H-4 -0.49045 0.00000 0.12276 0.00000 0.00000
90 21H+5 0.12687 0.00000 0.02726 0.00000 0.00000
91 21H-5 0.00000 0.00000 0.00000 -0.02726 0.00000
92 2 H 1S 0.00000 -0.30543 0.00000 0.04726 0.00000
93 2S 0.00000 0.22867 0.00000 -0.43259 0.00000
94 3S 0.00000 -1.04527 0.00000 0.21558 0.00000
95 4S 0.00000 -0.50705 0.00000 -0.15421 0.00000
96 5S 0.00000 -0.04969 0.00000 0.00392 0.00000
97 6PX -0.01257 0.00000 0.02114 0.00000 -0.01403
98 6PY 0.00000 -0.05567 0.00000 -0.02054 0.00000
99 6PZ 0.00000 0.02358 0.00000 -0.00810 0.00000
100 7PX 0.16137 0.00000 -0.02422 0.00000 -0.02869
101 7PY 0.00000 0.24943 0.00000 0.20373 0.00000
102 7PZ 0.00000 -0.06270 0.00000 -0.07353 0.00000
103 8PX -0.19169 0.00000 -0.28724 0.00000 0.49067
104 8PY 0.00000 0.22856 0.00000 -0.27259 0.00000
105 8PZ 0.00000 0.05269 0.00000 0.64320 0.00000
106 9PX -0.15383 0.00000 -0.29343 0.00000 0.15563
107 9PY 0.00000 0.36711 0.00000 -0.10726 0.00000
108 9PZ 0.00000 -0.20153 0.00000 0.13254 0.00000
109 10D 0 0.00000 -0.09963 0.00000 -0.03204 0.00000
110 10D+1 0.02180 0.00000 -0.09979 0.00000 0.01754
111 10D-1 0.00000 0.14531 0.00000 0.05390 0.00000
112 10D+2 0.00000 0.06525 0.00000 0.02359 0.00000
113 10D-2 0.23693 0.00000 -0.08865 0.00000 -0.02159
114 11D 0 0.00000 0.14021 0.00000 0.10708 0.00000
115 11D+1 0.02180 0.00000 -0.00654 0.00000 0.04088
116 11D-1 0.00000 -0.16851 0.00000 -0.19963 0.00000
117 11D+2 0.00000 0.02291 0.00000 0.00959 0.00000
118 11D-2 -0.32711 0.00000 0.15310 0.00000 -0.06600
119 12D 0 0.00000 0.00066 0.00000 0.00839 0.00000
120 12D+1 -0.20486 0.00000 -0.02391 0.00000 0.13881
121 12D-1 0.00000 0.02652 0.00000 -0.25694 0.00000
122 12D+2 0.00000 0.06569 0.00000 -0.11652 0.00000
123 12D-2 0.14770 0.00000 0.21328 0.00000 -0.22661
124 13F 0 0.00000 0.38824 0.00000 -0.13097 0.00000
125 13F+1 0.26160 0.00000 0.16435 0.00000 -0.37480
126 13F-1 0.00000 0.12953 0.00000 -0.09866 0.00000
127 13F+2 0.00000 0.12090 0.00000 0.26628 0.00000
128 13F-2 0.05392 0.00000 0.40489 0.00000 -0.17663
129 13F+3 0.16441 0.00000 -0.23671 0.00000 0.16163
130 13F-3 0.00000 -0.36902 0.00000 0.20978 0.00000
131 14F 0 0.00000 -0.20965 0.00000 0.02707 0.00000
132 14F+1 -0.16403 0.00000 -0.07311 0.00000 0.19081
133 14F-1 0.00000 -0.08528 0.00000 -0.01612 0.00000
134 14F+2 0.00000 -0.13047 0.00000 -0.17874 0.00000
135 14F-2 0.04176 0.00000 -0.14078 0.00000 0.03074
136 14F+3 -0.18371 0.00000 0.17681 0.00000 -0.12490
137 14F-3 0.00000 0.14772 0.00000 -0.10710 0.00000
138 15G 0 0.00000 -0.00361 0.00000 0.10242 0.00000
139 15G+1 0.05894 0.00000 0.25893 0.00000 0.10122
140 15G-1 0.00000 0.06506 0.00000 0.18233 0.00000
141 15G+2 0.00000 -0.07942 0.00000 -0.28975 0.00000
142 15G-2 -0.02237 0.00000 0.21683 0.00000 0.26279
143 15G+3 -0.03617 0.00000 -0.17385 0.00000 -0.27313
144 15G-3 0.00000 -0.09569 0.00000 -0.20831 0.00000
145 15G+4 0.00000 0.11665 0.00000 0.15151 0.00000
146 15G-4 -0.04375 0.00000 -0.10507 0.00000 -0.19905
147 3 H 1S 0.05769 -0.30543 0.04093 -0.02363 0.00000
148 2S 0.66925 0.22867 -0.37463 0.21629 0.00000
149 3S -1.40662 -1.04527 0.18670 -0.10779 0.00000
150 4S -0.87970 -0.50705 -0.13355 0.07710 0.00000
151 5S 0.07937 -0.04969 0.00340 -0.00196 0.00000
152 6PX 0.10456 -0.04821 -0.01012 0.01805 0.00702
153 6PY -0.06763 0.02784 0.01805 0.01072 0.01215
154 6PZ -0.03689 0.02358 -0.00702 0.00405 0.00000
155 7PX -0.43202 0.21601 0.14674 -0.09870 0.01435
156 7PY 0.34260 -0.12472 -0.09870 0.03277 0.02485
157 7PZ 0.22711 -0.06270 -0.06368 0.03676 0.00000
158 8PX 0.50678 0.19794 -0.27625 -0.00635 -0.24533
159 8PY -0.40326 -0.11428 -0.00635 -0.28358 -0.42493
160 8PZ -1.37616 0.05269 0.55703 -0.32160 0.00000
161 9PX 0.29743 0.31793 -0.15381 -0.08061 -0.07781
162 9PY -0.26053 -0.18356 -0.08061 -0.24689 -0.13478
163 9PZ -0.45883 -0.20153 0.11478 -0.06627 0.00000
164 10D 0 0.07547 -0.09963 -0.02775 0.01602 0.00000
165 10D+1 0.07710 0.12585 0.01547 -0.06655 -0.00877
166 10D-1 -0.03193 -0.07266 -0.06655 -0.06137 -0.01519
167 10D+2 0.03516 -0.03263 -0.04860 -0.06059 0.01870
168 10D-2 0.17603 0.05651 -0.00447 -0.04860 0.01079
169 11D 0 -0.28689 0.14021 0.09273 -0.05354 0.00000
170 11D+1 0.17150 -0.14593 -0.15136 0.08361 -0.02044
171 11D-1 -0.08643 0.08425 0.08361 -0.05481 -0.03540
172 11D+2 -0.02427 -0.01145 0.06214 0.11722 0.05716
173 11D-2 -0.28507 0.01984 0.04546 0.06214 0.03300
174 12D 0 -0.13864 0.00066 0.00727 -0.00419 0.00000
175 12D+1 0.47722 0.02297 -0.19868 0.10091 -0.06940
176 12D-1 -0.39380 -0.01326 0.10091 -0.08217 -0.12021
177 12D+2 0.02046 -0.03285 0.14281 0.13083 0.19625
178 12D-2 0.11227 0.05689 -0.03407 0.14281 0.11331
179 13F 0 0.08508 0.38824 -0.11342 0.06549 0.00000
180 13F+1 0.01827 0.11217 -0.03291 0.11389 0.18740
181 13F-1 0.14049 -0.06476 0.11389 0.09860 0.32459
182 13F+2 -0.05802 -0.06045 0.06002 0.37024 0.15297
183 13F-2 0.15442 0.10470 0.30093 0.06002 0.08831
184 13F+3 -0.08221 0.00000 0.11835 0.20499 0.16163
185 13F-3 -0.07031 -0.36902 0.18168 -0.10489 0.00000
186 14F 0 -0.00432 -0.20965 0.02344 -0.01353 0.00000
187 14F+1 0.14269 -0.07386 -0.03036 -0.02468 -0.09540
188 14F-1 -0.17708 0.04264 -0.02468 -0.05886 -0.16524
189 14F+2 0.01740 0.06523 0.01643 -0.15027 -0.02662
190 14F-2 0.01163 -0.11299 -0.16925 0.01643 -0.01537
191 14F+3 0.09186 0.00000 -0.08841 -0.15312 -0.12490
192 14F-3 0.15199 0.14772 -0.09275 0.05355 0.00000
193 15G 0 0.08343 -0.00361 0.08869 -0.05121 0.00000
194 15G+1 -0.01764 0.05634 0.20148 0.03317 -0.05061
195 15G-1 0.04421 -0.03253 0.03317 0.23978 -0.08766
196 15G+2 -0.02557 0.03971 0.21936 0.09019 -0.22759
197 15G-2 0.02192 -0.06878 -0.16310 0.21936 -0.13140
198 15G+3 0.01809 0.00000 0.08693 0.15056 -0.27313
199 15G-3 -0.13338 -0.09569 -0.18040 0.10415 0.00000
200 15G+4 0.04243 -0.05832 -0.02011 0.11668 -0.17238
201 15G-4 0.02973 -0.10102 -0.13990 0.02011 0.09952
202 4 H 1S -0.05769 -0.30543 -0.04093 -0.02363 0.00000
203 2S -0.66925 0.22867 0.37463 0.21629 0.00000
204 3S 1.40662 -1.04527 -0.18670 -0.10779 0.00000
205 4S 0.87970 -0.50705 0.13355 0.07710 0.00000
206 5S -0.07937 -0.04969 -0.00340 -0.00196 0.00000
207 6PX 0.10456 0.04821 -0.01012 -0.01805 0.00702
208 6PY 0.06763 0.02784 -0.01805 0.01072 -0.01215
209 6PZ 0.03689 0.02358 0.00702 0.00405 0.00000
210 7PX -0.43202 -0.21601 0.14674 0.09870 0.01435
211 7PY -0.34260 -0.12472 0.09870 0.03277 -0.02485
212 7PZ -0.22711 -0.06270 0.06368 0.03676 0.00000
213 8PX 0.50678 -0.19794 -0.27625 0.00635 -0.24533
214 8PY 0.40326 -0.11428 0.00635 -0.28358 0.42493
215 8PZ 1.37616 0.05269 -0.55703 -0.32160 0.00000
216 9PX 0.29743 -0.31793 -0.15381 0.08061 -0.07781
217 9PY 0.26053 -0.18356 0.08061 -0.24689 0.13478
218 9PZ 0.45883 -0.20153 -0.11478 -0.06627 0.00000
219 10D 0 -0.07547 -0.09963 0.02775 0.01602 0.00000
220 10D+1 0.07710 -0.12585 0.01547 0.06655 -0.00877
221 10D-1 0.03193 -0.07266 0.06655 -0.06137 0.01519
222 10D+2 -0.03516 -0.03263 0.04860 -0.06059 -0.01870
223 10D-2 0.17603 -0.05651 -0.00447 0.04860 0.01079
224 11D 0 0.28689 0.14021 -0.09273 -0.05354 0.00000
225 11D+1 0.17150 0.14593 -0.15136 -0.08361 -0.02044
226 11D-1 0.08643 0.08425 -0.08361 -0.05481 0.03540
227 11D+2 0.02427 -0.01145 -0.06214 0.11722 -0.05716
228 11D-2 -0.28507 -0.01984 0.04546 -0.06214 0.03300
229 12D 0 0.13864 0.00066 -0.00727 -0.00419 0.00000
230 12D+1 0.47722 -0.02297 -0.19868 -0.10091 -0.06940
231 12D-1 0.39380 -0.01326 -0.10091 -0.08217 0.12021
232 12D+2 -0.02046 -0.03285 -0.14281 0.13083 -0.19625
233 12D-2 0.11227 -0.05689 -0.03407 -0.14281 0.11331
234 13F 0 -0.08508 0.38824 0.11342 0.06549 0.00000
235 13F+1 0.01827 -0.11217 -0.03291 -0.11389 0.18740
236 13F-1 -0.14049 -0.06476 -0.11389 0.09860 -0.32459
237 13F+2 0.05802 -0.06045 -0.06002 0.37024 -0.15297
238 13F-2 0.15442 -0.10470 0.30093 -0.06002 0.08831
239 13F+3 -0.08221 0.00000 0.11835 -0.20499 0.16163
240 13F-3 0.07031 -0.36902 -0.18168 -0.10489 0.00000
241 14F 0 0.00432 -0.20965 -0.02344 -0.01353 0.00000
242 14F+1 0.14269 0.07386 -0.03036 0.02468 -0.09540
243 14F-1 0.17708 0.04264 0.02468 -0.05886 0.16524
244 14F+2 -0.01740 0.06523 -0.01643 -0.15027 0.02662
245 14F-2 0.01163 0.11299 -0.16925 -0.01643 -0.01537
246 14F+3 0.09186 0.00000 -0.08841 0.15312 -0.12490
247 14F-3 -0.15199 0.14772 0.09275 0.05355 0.00000
248 15G 0 -0.08343 -0.00361 -0.08869 -0.05121 0.00000
249 15G+1 -0.01764 -0.05634 0.20148 -0.03317 -0.05061
250 15G-1 -0.04421 -0.03253 -0.03317 0.23978 0.08766
251 15G+2 0.02557 0.03971 -0.21936 0.09019 0.22759
252 15G-2 0.02192 0.06878 -0.16310 -0.21936 -0.13140
253 15G+3 0.01809 0.00000 0.08693 -0.15056 -0.27313
254 15G-3 0.13338 -0.09569 0.18040 0.10415 0.00000
255 15G+4 -0.04243 -0.05832 0.02011 0.11668 0.17238
256 15G-4 0.02973 0.10102 -0.13990 -0.02011 0.09952
161 162 163 164 165
(E)--V (E)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 12.64239 12.64239 12.67431 12.67431 12.71009
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 -0.02036
2 2S 0.00000 0.00000 0.00000 0.00000 -0.12434
3 3S 0.00000 0.00000 0.00000 0.00000 -0.56915
4 4S 0.00000 0.00000 0.00000 0.00000 -0.16194
5 5S 0.00000 0.00000 0.00000 0.00000 6.52934
6 6S 0.00000 0.00000 0.00000 0.00000 3.74312
7 7PX 0.00000 0.11234 0.00000 0.25825 0.00000
8 7PY -0.11234 0.00000 0.25825 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.03213
10 8PX 0.00000 -0.33967 0.00000 -0.54134 0.00000
11 8PY 0.33967 0.00000 -0.54134 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.52236
13 9PX 0.00000 0.79217 0.00000 1.58834 0.00000
14 9PY -0.79217 0.00000 1.58834 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -2.47674
16 10PX 0.00000 0.55530 0.00000 0.44033 0.00000
17 10PY -0.55530 0.00000 0.44033 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -2.89009
19 11PX 0.00000 0.10709 0.00000 0.11488 0.00000
20 11PY -0.10709 0.00000 0.11488 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.43429
22 12D 0 0.00000 0.00000 0.00000 0.00000 0.00809
23 12D+1 0.00000 0.04197 0.00000 0.04242 0.00000
24 12D-1 -0.04197 0.00000 0.04242 0.00000 0.00000
25 12D+2 0.01175 0.00000 -0.00970 0.00000 0.00000
26 12D-2 0.00000 -0.01175 0.00000 -0.00970 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 -0.15798
28 13D+1 0.00000 0.05833 0.00000 -0.06014 0.00000
29 13D-1 -0.05833 0.00000 -0.06014 0.00000 0.00000
30 13D+2 0.04212 0.00000 -0.16716 0.00000 0.00000
31 13D-2 0.00000 -0.04212 0.00000 -0.16716 0.00000
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33 14D+1 0.00000 -0.74053 0.00000 -0.67850 0.00000
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181 13F-1 -0.49867 0.19725 -0.01685 -0.00877 0.04995
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183 13F-2 -0.12423 0.00778 -0.07049 0.11623 0.22185
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190 14F-2 0.04223 -0.02564 0.09594 -0.04512 -0.13586
191 14F+3 0.23426 -0.13525 -0.18865 -0.10892 0.00000
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197 15G-2 0.07617 0.07137 0.02974 -0.28925 0.18828
198 15G+3 -0.00654 0.00378 -0.18466 -0.10661 0.00000
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201 15G-4 0.07490 0.08464 0.04757 -0.03532 0.07782
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203 2S -0.00142 0.00245 -0.22829 -0.39541 0.10438
204 3S -0.42034 0.72805 0.53483 0.92635 -1.87673
205 4S -0.17998 0.31173 0.28076 0.48630 -1.85761
206 5S -0.03056 0.05292 0.03619 0.06268 -0.02113
207 6PX 0.03431 -0.05047 -0.02044 -0.02852 0.01610
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238 13F-2 0.12423 0.00778 0.07049 0.11623 -0.22185
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241 14F 0 -0.08889 0.15397 -0.01705 -0.02953 0.10621
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243 14F-1 0.21653 0.02533 -0.01877 -0.03651 0.06452
244 14F+2 0.07441 0.04223 0.06566 -0.09594 0.07844
245 14F-2 -0.04223 -0.02564 -0.09594 -0.04512 0.13586
246 14F+3 -0.23426 -0.13525 0.18865 -0.10892 0.00000
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248 15G 0 -0.03397 0.05883 -0.12985 -0.22491 -0.33729
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251 15G+2 0.01659 0.07617 -0.25491 -0.02974 -0.10870
252 15G-2 -0.07617 0.07137 -0.02974 -0.28925 -0.18828
253 15G+3 0.00654 0.00378 0.18466 -0.10661 0.00000
254 15G-3 0.07610 -0.13181 0.08039 0.13923 0.05526
255 15G+4 -0.00184 -0.07490 -0.01961 0.04757 0.04493
256 15G-4 -0.07490 0.08464 -0.04757 -0.03532 -0.07782
166 167 168 169 170
(E)--V (E)--V (A1)--V (A2)--V (E)--V
Eigenvalues -- 12.76369 12.76369 12.77835 12.79805 12.95010
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53 17F-2 0.00000 0.34779 0.00000 0.00000 0.00000
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55 17F-3 0.00000 0.00000 -0.27283 0.00000 0.00000
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59 18F+2 -0.28880 0.00000 0.00000 0.00000 -0.19800
60 18F-2 0.00000 -0.28880 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 -0.33304 0.00000
62 18F-3 0.00000 0.00000 -0.00096 0.00000 0.00000
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65 19G-1 0.02813 0.00000 0.00000 0.00000 0.05058
66 19G+2 0.12101 0.00000 0.00000 0.00000 0.10021
67 19G-2 0.00000 0.12101 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.16036 0.00000
69 19G-3 0.00000 0.00000 -0.06881 0.00000 0.00000
70 19G+4 0.10731 0.00000 0.00000 0.00000 0.21511
71 19G-4 0.00000 -0.10731 0.00000 0.00000 0.00000
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74 20G-1 0.24662 0.00000 0.00000 0.00000 0.03113
75 20G+2 -0.22844 0.00000 0.00000 0.00000 -0.16455
76 20G-2 0.00000 -0.22844 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 -0.12901 0.00000
78 20G-3 0.00000 0.00000 0.30731 0.00000 0.00000
79 20G+4 0.35999 0.00000 0.00000 0.00000 -0.16389
80 20G-4 0.00000 -0.35999 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.09652 0.00000 0.00000
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83 21H-1 -0.15807 0.00000 0.00000 0.00000 -0.03152
84 21H+2 -0.11110 0.00000 0.00000 0.00000 -0.01066
85 21H-2 0.00000 -0.11110 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.23716 0.00000
87 21H-3 0.00000 0.00000 -0.06385 0.00000 0.00000
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89 21H-4 0.00000 0.23218 0.00000 0.00000 0.00000
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92 2 H 1S -0.35808 0.00000 -0.08825 0.00000 -0.14929
93 2S 0.09634 0.00000 0.12512 0.00000 0.48268
94 3S -2.48572 0.00000 -1.59596 0.00000 -1.34962
95 4S -1.44974 0.00000 -1.38287 0.00000 -0.48808
96 5S -0.08823 0.00000 -0.01991 0.00000 -0.08956
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98 6PY -0.13306 0.00000 -0.01225 0.00000 -0.05864
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101 7PY 0.59168 0.00000 0.06832 0.00000 0.01097
102 7PZ -0.20944 0.00000 -0.06100 0.00000 0.01783
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104 8PY 0.50501 0.00000 0.94060 0.00000 1.08937
105 8PZ 0.03342 0.00000 0.28350 0.00000 -0.12537
106 9PX 0.00000 -0.69787 0.00000 0.03419 0.00000
107 9PY 0.64280 0.00000 0.74803 0.00000 0.59814
108 9PZ -0.25840 0.00000 0.13534 0.00000 -0.07090
109 10D 0 0.04180 0.00000 0.16801 0.00000 0.05191
110 10D+1 0.00000 -0.10803 0.00000 0.10473 0.00000
111 10D-1 0.01379 0.00000 0.08019 0.00000 -0.05119
112 10D+2 0.05239 0.00000 0.05566 0.00000 0.04218
113 10D-2 0.00000 -0.14925 0.00000 -0.03705 0.00000
114 11D 0 0.15101 0.00000 0.02762 0.00000 0.13713
115 11D+1 0.00000 -0.11565 0.00000 -0.09823 0.00000
116 11D-1 0.02293 0.00000 -0.12043 0.00000 0.07929
117 11D+2 0.18307 0.00000 0.12624 0.00000 0.15214
118 11D-2 0.00000 0.45586 0.00000 -0.02635 0.00000
119 12D 0 0.00639 0.00000 0.21032 0.00000 0.30099
120 12D+1 0.00000 -0.31399 0.00000 -0.06961 0.00000
121 12D-1 -0.12873 0.00000 -0.22140 0.00000 0.10744
122 12D+2 -0.11315 0.00000 0.33713 0.00000 0.37301
123 12D-2 0.00000 0.76292 0.00000 -0.08383 0.00000
124 13F 0 0.03652 0.00000 -0.03817 0.00000 0.46107
125 13F+1 0.00000 -0.28856 0.00000 0.30765 0.00000
126 13F-1 -0.21701 0.00000 -0.27366 0.00000 0.09370
127 13F+2 0.57987 0.00000 0.45377 0.00000 -0.40330
128 13F-2 0.00000 -0.03481 0.00000 0.00410 0.00000
129 13F+3 0.00000 -0.19174 0.00000 -0.19308 0.00000
130 13F-3 -0.21497 0.00000 0.15780 0.00000 -0.25812
131 14F 0 -0.05749 0.00000 -0.04368 0.00000 -0.18292
132 14F+1 0.00000 0.14900 0.00000 -0.21704 0.00000
133 14F-1 0.02819 0.00000 0.03004 0.00000 -0.18608
134 14F+2 -0.36751 0.00000 -0.30253 0.00000 0.22211
135 14F-2 0.00000 0.26638 0.00000 0.03669 0.00000
136 14F+3 0.00000 0.36828 0.00000 0.01341 0.00000
137 14F-3 0.14984 0.00000 -0.16894 0.00000 0.09084
138 15G 0 -0.19286 0.00000 0.13602 0.00000 0.03949
139 15G+1 0.00000 0.10810 0.00000 0.44458 0.00000
140 15G-1 -0.14684 0.00000 0.03268 0.00000 0.01996
141 15G+2 0.16296 0.00000 -0.24492 0.00000 -0.14767
142 15G-2 0.00000 0.07951 0.00000 0.08697 0.00000
143 15G+3 0.00000 -0.02179 0.00000 -0.12558 0.00000
144 15G-3 0.13494 0.00000 -0.10194 0.00000 -0.25927
145 15G+4 -0.12694 0.00000 -0.00654 0.00000 0.03813
146 15G-4 0.00000 -0.10395 0.00000 -0.00122 0.00000
147 3 H 1S 0.17904 -0.31010 -0.08825 0.00000 0.07464
148 2S -0.04817 0.08343 0.12512 0.00000 -0.24134
149 3S 1.24286 -2.15269 -1.59596 0.00000 0.67481
150 4S 0.72487 -1.25551 -1.38287 0.00000 0.24404
151 5S 0.04411 -0.07641 -0.01991 0.00000 0.04478
152 6PX 0.07804 -0.08800 -0.01060 0.00396 0.02471
153 6PY 0.00212 0.07804 0.00612 0.00685 -0.01583
154 6PZ -0.03001 0.05197 -0.00147 0.00000 -0.01219
155 7PX -0.22543 0.46153 0.05916 -0.01478 -0.00774
156 7PY 0.20122 -0.22543 -0.03416 -0.02560 -0.00243
157 7PZ 0.10472 -0.18138 -0.06100 0.00000 -0.00892
158 8PX -0.79769 0.04447 0.81458 0.02864 -0.58760
159 8PY -0.87663 -0.79769 -0.47030 0.04960 0.07161
160 8PZ -0.01671 0.02894 0.28350 0.00000 0.06269
161 9PX -0.58053 0.30763 0.64781 -0.01709 -0.20629
162 9PY -0.36270 -0.58053 -0.37402 -0.02961 0.24084
163 9PZ 0.12920 -0.22378 0.13534 0.00000 0.03545
164 10D 0 -0.02090 0.03620 0.16801 0.00000 -0.02595
165 10D+1 -0.05275 -0.01667 0.06945 -0.05237 0.06879
166 10D-1 -0.07758 -0.05275 -0.04009 -0.09070 0.06795
167 10D+2 -0.09884 -0.08731 -0.02783 0.03209 -0.09797
168 10D-2 -0.08731 0.00198 0.04820 0.01853 -0.08091
169 11D 0 -0.07551 0.13078 0.02762 0.00000 -0.06856
170 11D+1 -0.06000 -0.01172 -0.10429 0.04912 -0.08788
171 11D-1 -0.08100 -0.06000 0.06021 0.08507 -0.07291
172 11D+2 0.38766 0.11812 -0.06312 0.02282 0.23924
173 11D-2 0.11812 0.25126 0.10933 0.01317 0.05028
174 12D 0 -0.00319 0.00553 0.21032 0.00000 -0.15049
175 12D+1 -0.08022 -0.17505 -0.19173 0.03480 -0.06366
176 12D-1 -0.26768 -0.08022 0.11070 0.06028 -0.00281
177 12D+2 0.54390 0.37935 -0.16856 0.07260 0.10959
178 12D-2 0.37935 0.10587 0.29196 0.04191 -0.15209
179 13F 0 -0.01826 0.03163 -0.03817 0.00000 -0.23054
180 13F+1 -0.03098 -0.23490 -0.23699 -0.15383 -0.16284
181 13F-1 -0.27068 -0.03098 0.13683 -0.26643 -0.18835
182 13F+2 0.11886 -0.26617 -0.22688 -0.00355 -0.21185
183 13F-2 -0.26617 0.42620 0.39297 -0.00205 0.11054
184 13F+3 0.16605 0.09587 0.00000 -0.19308 0.10204
185 13F-3 0.10749 -0.18617 0.15780 0.00000 0.12906
186 14F 0 0.02874 -0.04979 -0.04368 0.00000 0.09146
187 14F+1 0.05231 0.05839 0.02601 0.10852 0.15310
188 14F-1 0.11879 0.05231 -0.01502 0.18796 0.07911
189 14F+2 0.10791 0.27448 0.15127 -0.03178 0.17840
190 14F-2 0.27448 -0.20904 -0.26200 -0.01835 -0.02523
191 14F+3 -0.31894 -0.18414 0.00000 0.01341 -0.13619
192 14F-3 -0.07492 0.12976 -0.16894 0.00000 -0.04542
193 15G 0 0.09643 -0.16702 0.13602 0.00000 -0.01975
194 15G+1 0.11039 -0.08310 0.02830 -0.22229 0.12334
195 15G-1 0.04436 0.11039 -0.01634 -0.38501 0.23360
196 15G+2 0.10037 -0.03614 0.12246 -0.07531 -0.01038
197 15G-2 -0.03614 0.14210 -0.21211 -0.04348 0.07926
198 15G+3 0.01887 0.01090 0.00000 -0.12558 0.12226
199 15G-3 -0.06747 0.11686 -0.10194 0.00000 0.12964
200 15G+4 0.04623 0.09998 0.00327 -0.00106 0.08323
201 15G-4 -0.09998 0.06922 0.00566 0.00061 -0.02604
202 4 H 1S 0.17904 0.31010 -0.08825 0.00000 0.07464
203 2S -0.04817 -0.08343 0.12512 0.00000 -0.24134
204 3S 1.24286 2.15269 -1.59596 0.00000 0.67481
205 4S 0.72487 1.25551 -1.38287 0.00000 0.24404
206 5S 0.04411 0.07641 -0.01991 0.00000 0.04478
207 6PX -0.07804 -0.08800 0.01060 0.00396 -0.02471
208 6PY 0.00212 -0.07804 0.00612 -0.00685 -0.01583
209 6PZ -0.03001 -0.05197 -0.00147 0.00000 -0.01219
210 7PX 0.22543 0.46153 -0.05916 -0.01478 0.00774
211 7PY 0.20122 0.22543 -0.03416 0.02560 -0.00243
212 7PZ 0.10472 0.18138 -0.06100 0.00000 -0.00892
213 8PX 0.79769 0.04447 -0.81458 0.02864 0.58760
214 8PY -0.87663 0.79769 -0.47030 -0.04960 0.07161
215 8PZ -0.01671 -0.02894 0.28350 0.00000 0.06269
216 9PX 0.58053 0.30763 -0.64781 -0.01709 0.20629
217 9PY -0.36270 0.58053 -0.37402 0.02961 0.24084
218 9PZ 0.12920 0.22378 0.13534 0.00000 0.03545
219 10D 0 -0.02090 -0.03620 0.16801 0.00000 -0.02595
220 10D+1 0.05275 -0.01667 -0.06945 -0.05237 -0.06879
221 10D-1 -0.07758 0.05275 -0.04009 0.09070 0.06795
222 10D+2 -0.09884 0.08731 -0.02783 -0.03209 -0.09797
223 10D-2 0.08731 0.00198 -0.04820 0.01853 0.08091
224 11D 0 -0.07551 -0.13078 0.02762 0.00000 -0.06856
225 11D+1 0.06000 -0.01172 0.10429 0.04912 0.08788
226 11D-1 -0.08100 0.06000 0.06021 -0.08507 -0.07291
227 11D+2 0.38766 -0.11812 -0.06312 -0.02282 0.23924
228 11D-2 -0.11812 0.25126 -0.10933 0.01317 -0.05028
229 12D 0 -0.00319 -0.00553 0.21032 0.00000 -0.15049
230 12D+1 0.08022 -0.17505 0.19173 0.03480 0.06366
231 12D-1 -0.26768 0.08022 0.11070 -0.06028 -0.00281
232 12D+2 0.54390 -0.37935 -0.16856 -0.07260 0.10959
233 12D-2 -0.37935 0.10587 -0.29196 0.04191 0.15209
234 13F 0 -0.01826 -0.03163 -0.03817 0.00000 -0.23054
235 13F+1 0.03098 -0.23490 0.23699 -0.15383 0.16284
236 13F-1 -0.27068 0.03098 0.13683 0.26643 -0.18835
237 13F+2 0.11886 0.26617 -0.22688 0.00355 -0.21185
238 13F-2 0.26617 0.42620 -0.39297 -0.00205 -0.11054
239 13F+3 -0.16605 0.09587 0.00000 -0.19308 -0.10204
240 13F-3 0.10749 0.18617 0.15780 0.00000 0.12906
241 14F 0 0.02874 0.04979 -0.04368 0.00000 0.09146
242 14F+1 -0.05231 0.05839 -0.02601 0.10852 -0.15310
243 14F-1 0.11879 -0.05231 -0.01502 -0.18796 0.07911
244 14F+2 0.10791 -0.27448 0.15127 0.03178 0.17840
245 14F-2 -0.27448 -0.20904 0.26200 -0.01835 0.02523
246 14F+3 0.31894 -0.18414 0.00000 0.01341 0.13619
247 14F-3 -0.07492 -0.12976 -0.16894 0.00000 -0.04542
248 15G 0 0.09643 0.16702 0.13602 0.00000 -0.01975
249 15G+1 -0.11039 -0.08310 -0.02830 -0.22229 -0.12334
250 15G-1 0.04436 -0.11039 -0.01634 0.38501 0.23360
251 15G+2 0.10037 0.03614 0.12246 0.07531 -0.01038
252 15G-2 0.03614 0.14210 0.21211 -0.04348 -0.07926
253 15G+3 -0.01887 0.01090 0.00000 -0.12558 -0.12226
254 15G-3 -0.06747 -0.11686 -0.10194 0.00000 0.12964
255 15G+4 0.04623 -0.09998 0.00327 0.00106 0.08323
256 15G-4 0.09998 0.06922 -0.00566 0.00061 0.02604
171 172 173 174 175
(E)--V (E)--V (E)--V (A2)--V (A1)--V
Eigenvalues -- 12.95010 13.18240 13.18240 13.26171 13.31804
1 1 N 1S 0.00000 0.00000 0.00000 0.00000 -0.01154
2 2S 0.00000 0.00000 0.00000 0.00000 0.01794
3 3S 0.00000 0.00000 0.00000 0.00000 -0.10728
4 4S 0.00000 0.00000 0.00000 0.00000 0.04766
5 5S 0.00000 0.00000 0.00000 0.00000 4.42175
6 6S 0.00000 0.00000 0.00000 0.00000 1.78356
7 7PX 0.32606 0.00000 -0.10544 0.00000 0.00000
8 7PY 0.00000 -0.10544 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 0.00000 -0.34044
10 8PX -0.62305 0.00000 -0.22593 0.00000 0.00000
11 8PY 0.00000 -0.22593 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.29879
13 9PX 2.25642 0.00000 -0.78250 0.00000 0.00000
14 9PY 0.00000 -0.78250 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.00000 -0.38068
16 10PX -0.27905 0.00000 -0.23728 0.00000 0.00000
17 10PY 0.00000 -0.23728 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.00000 -0.37694
19 11PX 0.05475 0.00000 -0.26551 0.00000 0.00000
20 11PY 0.00000 -0.26551 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.00000 -0.21034
22 12D 0 0.00000 0.00000 0.00000 0.00000 -0.01781
23 12D+1 0.03731 0.00000 -0.02417 0.00000 0.00000
24 12D-1 0.00000 -0.02417 0.00000 0.00000 0.00000
25 12D+2 0.00000 -0.06435 0.00000 0.00000 0.00000
26 12D-2 0.00866 0.00000 -0.06435 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.03910
28 13D+1 -0.05020 0.00000 0.08225 0.00000 0.00000
29 13D-1 0.00000 0.08225 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.06724 0.00000 0.00000 0.00000
31 13D-2 -0.16994 0.00000 0.06724 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 -1.19928
33 14D+1 -0.91217 0.00000 0.51754 0.00000 0.00000
34 14D-1 0.00000 0.51754 0.00000 0.00000 0.00000
35 14D+2 0.00000 1.27924 0.00000 0.00000 0.00000
36 14D-2 0.15225 0.00000 1.27924 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 -0.46772
38 15D+1 0.10226 0.00000 0.32944 0.00000 0.00000
39 15D-1 0.00000 0.32944 0.00000 0.00000 0.00000
40 15D+2 0.00000 0.58150 0.00000 0.00000 0.00000
41 15D-2 0.13570 0.00000 0.58150 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 -0.07930
43 16F+1 -0.02741 0.00000 0.07026 0.00000 0.00000
44 16F-1 0.00000 0.07026 0.00000 0.00000 0.00000
45 16F+2 0.00000 0.04106 0.00000 0.00000 0.00000
46 16F-2 -0.03748 0.00000 0.04106 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 -0.07166 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.03034
49 17F 0 0.00000 0.00000 0.00000 0.00000 -0.01292
50 17F+1 0.15681 0.00000 -0.41046 0.00000 0.00000
51 17F-1 0.00000 -0.41046 0.00000 0.00000 0.00000
52 17F+2 0.00000 -0.50795 0.00000 0.00000 0.00000
53 17F-2 0.18270 0.00000 -0.50795 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.33194 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 -0.36813
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.18423
57 18F+1 0.12752 0.00000 -0.36183 0.00000 0.00000
58 18F-1 0.00000 -0.36183 0.00000 0.00000 0.00000
59 18F+2 0.00000 -0.81125 0.00000 0.00000 0.00000
60 18F-2 -0.19800 0.00000 -0.81125 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.53863 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.30602
63 19G 0 0.00000 0.00000 0.00000 0.00000 -0.52800
64 19G+1 0.05058 0.00000 -0.23881 0.00000 0.00000
65 19G-1 0.00000 -0.23881 0.00000 0.00000 0.00000
66 19G+2 0.00000 -0.15570 0.00000 0.00000 0.00000
67 19G-2 0.10021 0.00000 -0.15570 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.08309 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.13090
70 19G+4 0.00000 -0.38974 0.00000 0.00000 0.00000
71 19G-4 -0.21511 0.00000 0.38974 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.80818
73 20G+1 0.03113 0.00000 0.38418 0.00000 0.00000
74 20G-1 0.00000 0.38418 0.00000 0.00000 0.00000
75 20G+2 0.00000 0.40730 0.00000 0.00000 0.00000
76 20G-2 -0.16455 0.00000 0.40730 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 -0.14671 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 -0.27408
79 20G+4 0.00000 0.92027 0.00000 0.00000 0.00000
80 20G-4 0.16389 0.00000 -0.92027 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000 -0.05107
82 21H+1 -0.03152 0.00000 0.07349 0.00000 0.00000
83 21H-1 0.00000 0.07349 0.00000 0.00000 0.00000
84 21H+2 0.00000 0.04535 0.00000 0.00000 0.00000
85 21H-2 -0.01066 0.00000 0.04535 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.10934 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.39261
88 21H+4 0.00000 -0.16747 0.00000 0.00000 0.00000
89 21H-4 0.05479 0.00000 0.16747 0.00000 0.00000
90 21H+5 0.09128 0.00000 0.11015 0.00000 0.00000
91 21H-5 0.00000 -0.11015 0.00000 0.00000 0.00000
92 2 H 1S 0.00000 0.25007 0.00000 0.00000 -0.07141
93 2S 0.00000 -1.15774 0.00000 0.00000 0.49808
94 3S 0.00000 3.34986 0.00000 0.00000 -1.56692
95 4S 0.00000 0.70259 0.00000 0.00000 -0.91927
96 5S 0.00000 0.23786 0.00000 0.00000 -0.02242
97 6PX -0.00157 0.00000 -0.01601 -0.00800 0.00000
98 6PY 0.00000 0.08047 0.00000 0.00000 -0.05211
99 6PZ 0.00000 -0.07594 0.00000 0.00000 -0.01398
100 7PX -0.00690 0.00000 -0.14403 -0.04529 0.00000
101 7PY 0.00000 0.19844 0.00000 0.00000 -0.14631
102 7PZ 0.00000 -0.13368 0.00000 0.00000 -0.11153
103 8PX -0.26765 0.00000 -1.11399 0.53721 0.00000
104 8PY 0.00000 -2.00618 0.00000 0.00000 0.63322
105 8PZ 0.00000 -0.08314 0.00000 0.00000 -0.73017
106 9PX 0.12174 0.00000 -0.21804 0.20724 0.00000
107 9PY 0.00000 -0.78228 0.00000 0.00000 0.48447
108 9PZ 0.00000 0.12993 0.00000 0.00000 -0.22771
109 10D 0 0.00000 -0.15109 0.00000 0.00000 -0.18848
110 10D+1 0.10767 0.00000 -0.21701 0.22988 0.00000
111 10D-1 0.00000 0.36952 0.00000 0.00000 -0.03337
112 10D+2 0.00000 0.01767 0.00000 0.00000 0.02908
113 10D-2 -0.14469 0.00000 -0.06946 -0.10195 0.00000
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115 11D+1 -0.12365 0.00000 -0.09783 -0.13427 0.00000
116 11D-1 0.00000 -0.22324 0.00000 0.00000 0.37762
117 11D+2 0.00000 -0.33723 0.00000 0.00000 -0.08302
118 11D-2 0.26827 0.00000 0.56522 -0.04042 0.00000
119 12D 0 0.00000 -0.48138 0.00000 0.00000 0.17904
120 12D+1 -0.03957 0.00000 -0.12248 0.19935 0.00000
121 12D-1 0.00000 -0.07976 0.00000 0.00000 0.24343
122 12D+2 0.00000 -0.60167 0.00000 0.00000 0.05228
123 12D-2 0.02178 0.00000 0.37215 -0.35170 0.00000
124 13F 0 0.00000 0.25616 0.00000 0.00000 -0.34146
125 13F+1 -0.28237 0.00000 -0.37656 -0.32596 0.00000
126 13F-1 0.00000 0.20124 0.00000 0.00000 0.33138
127 13F+2 0.00000 0.05044 0.00000 0.00000 0.24873
128 13F-2 -0.14803 0.00000 0.37820 -0.17297 0.00000
129 13F+3 -0.11782 0.00000 -0.02678 0.17755 0.00000
130 13F-3 0.00000 -0.03623 0.00000 0.00000 -0.07747
131 14F 0 0.00000 -0.27207 0.00000 0.00000 0.31755
132 14F+1 0.16750 0.00000 0.22640 0.19884 0.00000
133 14F-1 0.00000 0.10288 0.00000 0.00000 -0.08632
134 14F+2 0.00000 -0.03392 0.00000 0.00000 -0.09589
135 14F-2 0.16384 0.00000 -0.05065 0.04163 0.00000
136 14F+3 0.15726 0.00000 0.24205 -0.24229 0.00000
137 14F-3 0.00000 0.18836 0.00000 0.00000 0.12229
138 15G 0 0.00000 -0.14145 0.00000 0.00000 0.19644
139 15G+1 0.30481 0.00000 -0.03467 0.23107 0.00000
140 15G-1 0.00000 0.14268 0.00000 0.00000 -0.09761
141 15G+2 0.00000 0.21247 0.00000 0.00000 0.07192
142 15G-2 0.03538 0.00000 -0.20933 -0.23862 0.00000
143 15G+3 -0.14118 0.00000 0.18989 0.09978 0.00000
144 15G-3 0.00000 -0.09013 0.00000 0.00000 0.02159
145 15G+4 0.00000 0.16399 0.00000 0.00000 -0.04066
146 15G-4 -0.09827 0.00000 -0.09001 0.29483 0.00000
147 3 H 1S -0.12929 -0.12503 0.21656 0.00000 -0.07141
148 2S 0.41802 0.57887 -1.00263 0.00000 0.49808
149 3S -1.16880 -1.67493 2.90107 0.00000 -1.56692
150 4S -0.42269 -0.35129 0.60846 0.00000 -0.91927
151 5S -0.07756 -0.11893 0.20600 0.00000 -0.02242
152 6PX -0.04437 -0.04178 0.05635 0.00400 -0.04513
153 6PY 0.02471 0.00811 -0.04178 0.00693 0.02605
154 6PZ 0.02112 0.03797 -0.06577 0.00000 -0.01398
155 7PX 0.00650 -0.14830 0.11282 0.02265 -0.12671
156 7PY -0.00774 -0.05842 -0.14830 0.03922 0.07315
157 7PZ 0.01544 0.06684 -0.11577 0.00000 -0.11153
158 8PX 0.75011 0.38633 -1.78314 -0.26860 0.54839
159 8PY -0.58760 -1.33704 0.38633 -0.46523 -0.31661
160 8PZ -0.10857 0.04157 -0.07200 0.00000 -0.73017
161 9PX 0.47904 0.24432 -0.64122 -0.10362 0.41956
162 9PY -0.20629 -0.35910 0.24432 -0.17947 -0.24223
163 9PZ -0.06140 -0.06497 0.11253 0.00000 -0.22771
164 10D 0 0.04495 0.07554 -0.13084 0.00000 -0.18848
165 10D+1 -0.01148 -0.25398 0.22289 -0.11494 -0.02890
166 10D-1 0.06879 -0.07037 -0.25398 -0.19909 0.01668
167 10D+2 -0.08091 -0.04768 -0.03773 0.08829 -0.01454
168 10D-2 -0.00454 -0.03773 -0.00411 0.05097 0.02518
169 11D 0 0.11876 0.10740 -0.18601 0.00000 -0.07900
170 11D+1 0.02856 0.05430 -0.19189 0.06713 0.32703
171 11D-1 -0.08788 -0.12919 0.05430 0.11628 -0.18881
172 11D+2 0.05028 0.33961 0.39077 0.03501 0.04151
173 11D-2 0.18118 0.39077 -0.11162 0.02021 -0.07190
174 12D 0 0.26066 0.24069 -0.41689 0.00000 0.17904
175 12D+1 0.07069 -0.01850 -0.09044 -0.09968 0.21082
176 12D-1 -0.06366 -0.11180 -0.01850 -0.17265 -0.12171
177 12D+2 -0.15209 0.12870 0.42168 0.30458 -0.02614
178 12D-2 0.28520 0.42168 -0.35821 0.17585 0.04528
179 13F 0 0.39930 -0.12808 0.22184 0.00000 -0.34146
180 13F+1 -0.00032 -0.25020 0.05679 0.16298 0.28698
181 13F-1 -0.16284 -0.23211 -0.25020 0.28229 -0.16569
182 13F+2 0.11054 0.29626 0.14192 0.14980 -0.12437
183 13F-2 -0.33949 0.14192 0.13238 0.08649 0.21541
184 13F+3 0.05891 0.02319 0.01339 0.17755 0.00000
185 13F-3 -0.22354 0.01811 -0.03137 0.00000 -0.07747
186 14F 0 -0.15841 0.13603 -0.23562 0.00000 0.31755
187 14F+1 -0.09768 0.05348 0.13376 -0.09942 -0.07475
188 14F-1 0.15310 0.19552 0.05348 -0.17220 0.04316
189 14F+2 -0.02523 -0.04647 -0.00725 -0.03605 0.04794
190 14F-2 0.20754 -0.00725 -0.03810 -0.02081 -0.08304
191 14F+3 -0.07863 -0.20962 -0.12102 -0.24229 0.00000
192 14F-3 0.07867 -0.09418 0.16312 0.00000 0.12229
193 15G 0 0.03420 0.07072 -0.12250 0.00000 0.19644
194 15G+1 0.09117 -0.07680 0.09834 -0.11554 -0.08454
195 15G-1 0.12334 0.00966 -0.07680 -0.20011 0.04881
196 15G+2 0.07926 -0.10388 -0.18264 0.20665 -0.03596
197 15G-2 -0.10191 -0.18264 0.10702 0.11931 0.06229
198 15G+3 0.07059 -0.16445 -0.09494 0.09978 0.00000
199 15G-3 -0.22454 0.04506 -0.07805 0.00000 0.02159
200 15G+4 0.02604 0.10851 -0.03203 0.25533 0.02033
201 15G-4 -0.05316 0.03203 -0.14550 -0.14742 0.03521
202 4 H 1S 0.12929 -0.12503 -0.21656 0.00000 -0.07141
203 2S -0.41802 0.57887 1.00263 0.00000 0.49808
204 3S 1.16880 -1.67493 -2.90107 0.00000 -1.56692
205 4S 0.42269 -0.35129 -0.60846 0.00000 -0.91927
206 5S 0.07756 -0.11893 -0.20600 0.00000 -0.02242
207 6PX -0.04437 0.04178 0.05635 0.00400 0.04513
208 6PY -0.02471 0.00811 0.04178 -0.00693 0.02605
209 6PZ -0.02112 0.03797 0.06577 0.00000 -0.01398
210 7PX 0.00650 0.14830 0.11282 0.02265 0.12671
211 7PY 0.00774 -0.05842 0.14830 -0.03922 0.07315
212 7PZ -0.01544 0.06684 0.11577 0.00000 -0.11153
213 8PX 0.75011 -0.38633 -1.78314 -0.26860 -0.54839
214 8PY 0.58760 -1.33704 -0.38633 0.46523 -0.31661
215 8PZ 0.10857 0.04157 0.07200 0.00000 -0.73017
216 9PX 0.47904 -0.24432 -0.64122 -0.10362 -0.41956
217 9PY 0.20629 -0.35910 -0.24432 0.17947 -0.24223
218 9PZ 0.06140 -0.06497 -0.11253 0.00000 -0.22771
219 10D 0 -0.04495 0.07554 0.13084 0.00000 -0.18848
220 10D+1 -0.01148 0.25398 0.22289 -0.11494 0.02890
221 10D-1 -0.06879 -0.07037 0.25398 0.19909 0.01668
222 10D+2 0.08091 -0.04768 0.03773 -0.08829 -0.01454
223 10D-2 -0.00454 0.03773 -0.00411 0.05097 -0.02518
224 11D 0 -0.11876 0.10740 0.18601 0.00000 -0.07900
225 11D+1 0.02856 -0.05430 -0.19189 0.06713 -0.32703
226 11D-1 0.08788 -0.12919 -0.05430 -0.11628 -0.18881
227 11D+2 -0.05028 0.33961 -0.39077 -0.03501 0.04151
228 11D-2 0.18118 -0.39077 -0.11162 0.02021 0.07190
229 12D 0 -0.26066 0.24069 0.41689 0.00000 0.17904
230 12D+1 0.07069 0.01850 -0.09044 -0.09968 -0.21082
231 12D-1 0.06366 -0.11180 0.01850 0.17265 -0.12171
232 12D+2 0.15209 0.12870 -0.42168 -0.30458 -0.02614
233 12D-2 0.28520 -0.42168 -0.35821 0.17585 -0.04528
234 13F 0 -0.39930 -0.12808 -0.22184 0.00000 -0.34146
235 13F+1 -0.00032 0.25020 0.05679 0.16298 -0.28698
236 13F-1 0.16284 -0.23211 0.25020 -0.28229 -0.16569
237 13F+2 -0.11054 0.29626 -0.14192 -0.14980 -0.12437
238 13F-2 -0.33949 -0.14192 0.13238 0.08649 -0.21541
239 13F+3 0.05891 -0.02319 0.01339 0.17755 0.00000
240 13F-3 0.22354 0.01811 0.03137 0.00000 -0.07747
241 14F 0 0.15841 0.13603 0.23562 0.00000 0.31755
242 14F+1 -0.09768 -0.05348 0.13376 -0.09942 0.07475
243 14F-1 -0.15310 0.19552 -0.05348 0.17220 0.04316
244 14F+2 0.02523 -0.04647 0.00725 0.03605 0.04794
245 14F-2 0.20754 0.00725 -0.03810 -0.02081 0.08304
246 14F+3 -0.07863 0.20962 -0.12102 -0.24229 0.00000
247 14F-3 -0.07867 -0.09418 -0.16312 0.00000 0.12229
248 15G 0 -0.03420 0.07072 0.12250 0.00000 0.19644
249 15G+1 0.09117 0.07680 0.09834 -0.11554 0.08454
250 15G-1 -0.12334 0.00966 0.07680 0.20011 0.04881
251 15G+2 -0.07926 -0.10388 0.18264 -0.20665 -0.03596
252 15G-2 -0.10191 0.18264 0.10702 0.11931 -0.06229
253 15G+3 0.07059 0.16445 -0.09494 0.09978 0.00000
254 15G-3 0.22454 0.04506 0.07805 0.00000 0.02159
255 15G+4 -0.02604 0.10851 0.03203 -0.25533 0.02033
256 15G-4 -0.05316 -0.03203 -0.14550 -0.14742 -0.03521
176 177 178 179 180
(A2)--V (A1)--V (E)--V (E)--V (E)--V
Eigenvalues -- 13.35418 13.36779 13.42382 13.42382 13.57610
1 1 N 1S 0.00000 -0.02571 0.00000 0.00000 0.00000
2 2S 0.00000 0.21269 0.00000 0.00000 0.00000
3 3S 0.00000 0.78991 0.00000 0.00000 0.00000
4 4S 0.00000 -2.45811 0.00000 0.00000 0.00000
5 5S 0.00000 7.53732 0.00000 0.00000 0.00000
6 6S 0.00000 2.05454 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.05799 0.00000
8 7PY 0.00000 0.00000 0.05799 0.00000 0.05236
9 7PZ 0.00000 -0.97970 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 -0.46213 0.00000
11 8PY 0.00000 0.00000 -0.46213 0.00000 -0.41593
12 8PZ 0.00000 2.00888 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 1.04913 0.00000
14 9PY 0.00000 0.00000 1.04913 0.00000 1.16039
15 9PZ 0.00000 -4.28208 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 1.78514 0.00000
17 10PY 0.00000 0.00000 1.78514 0.00000 0.73232
18 10PZ 0.00000 -2.64737 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 0.04762 0.00000
20 11PY 0.00000 0.00000 0.04762 0.00000 0.01608
21 11PZ 0.00000 -0.26048 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.04202 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.00936 0.00000
24 12D-1 0.00000 0.00000 0.00936 0.00000 -0.03329
25 12D+2 0.00000 0.00000 -0.01590 0.00000 0.01096
26 12D-2 0.00000 0.00000 0.00000 -0.01590 0.00000
27 13D 0 0.00000 -0.05689 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.03813 0.00000
29 13D-1 0.00000 0.00000 0.03813 0.00000 0.08181
30 13D+2 0.00000 0.00000 0.09017 0.00000 0.00909
31 13D-2 0.00000 0.00000 0.00000 0.09017 0.00000
32 14D 0 0.00000 1.06483 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 0.14318 0.00000
34 14D-1 0.00000 0.00000 0.14318 0.00000 -0.32910
35 14D+2 0.00000 0.00000 -0.55680 0.00000 1.38021
36 14D-2 0.00000 0.00000 0.00000 -0.55680 0.00000
37 15D 0 0.00000 0.26389 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 0.00000 -0.21579 0.00000
39 15D-1 0.00000 0.00000 -0.21579 0.00000 0.03565
40 15D+2 0.00000 0.00000 -0.36368 0.00000 0.37533
41 15D-2 0.00000 0.00000 0.00000 -0.36368 0.00000
42 16F 0 0.00000 0.21655 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.06026 0.00000
44 16F-1 0.00000 0.00000 0.06026 0.00000 0.13194
45 16F+2 0.00000 0.00000 -0.01569 0.00000 0.06158
46 16F-2 0.00000 0.00000 0.00000 -0.01569 0.00000
47 16F+3 0.08552 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.03212 0.00000 0.00000 0.00000
49 17F 0 0.00000 -0.05468 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.00000 -0.45508 0.00000
51 17F-1 0.00000 0.00000 -0.45508 0.00000 -0.08116
52 17F+2 0.00000 0.00000 -0.08536 0.00000 -0.14303
53 17F-2 0.00000 0.00000 0.00000 -0.08536 0.00000
54 17F+3 -1.02922 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.18135 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.38310 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.00000 -0.53258 0.00000
58 18F-1 0.00000 0.00000 -0.53258 0.00000 -0.07067
59 18F+2 0.00000 0.00000 -0.15311 0.00000 0.15744
60 18F-2 0.00000 0.00000 0.00000 -0.15311 0.00000
61 18F+3 -1.10631 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.41583 0.00000 0.00000 0.00000
63 19G 0 0.00000 -0.08500 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.00000 -0.12592 0.00000
65 19G-1 0.00000 0.00000 -0.12592 0.00000 0.01602
66 19G+2 0.00000 0.00000 -0.25458 0.00000 0.28196
67 19G-2 0.00000 0.00000 0.00000 -0.25458 0.00000
68 19G+3 -0.59209 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.41591 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00061 0.00000 -0.21776
71 19G-4 0.00000 0.00000 0.00000 -0.00061 0.00000
72 20G 0 0.00000 -0.20262 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.00000 0.41939 0.00000
74 20G-1 0.00000 0.00000 0.41939 0.00000 0.00937
75 20G+2 0.00000 0.00000 0.49590 0.00000 -0.56933
76 20G-2 0.00000 0.00000 0.00000 0.49590 0.00000
77 20G+3 1.52288 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -0.13510 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.04115 0.00000 0.74505
80 20G-4 0.00000 0.00000 0.00000 -0.04115 0.00000
81 21H 0 0.00000 -0.07407 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.00000 0.08357 0.00000
83 21H-1 0.00000 0.00000 0.08357 0.00000 -0.09965
84 21H+2 0.00000 0.00000 -0.20326 0.00000 0.09511
85 21H-2 0.00000 0.00000 0.00000 -0.20326 0.00000
86 21H+3 -0.18431 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.01575 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 -0.32314 0.00000 -0.25782
89 21H-4 0.00000 0.00000 0.00000 0.32314 0.00000
90 21H+5 0.00000 0.00000 0.00000 -0.11260 0.00000
91 21H-5 0.00000 0.00000 0.11260 0.00000 -0.15545
92 2 H 1S 0.00000 -0.09247 -0.06500 0.00000 0.04465
93 2S 0.00000 0.33181 -0.34167 0.00000 -0.56051
94 3S 0.00000 -2.74789 -0.91608 0.00000 0.70331
95 4S 0.00000 -0.75589 -0.40732 0.00000 -0.13267
96 5S 0.00000 -0.06192 0.04176 0.00000 0.05957
97 6PX -0.03050 0.00000 0.00000 0.05111 0.00000
98 6PY 0.00000 -0.12025 -0.09814 0.00000 -0.00960
99 6PZ 0.00000 0.02630 0.01585 0.00000 0.00862
100 7PX -0.09232 0.00000 0.00000 -0.01177 0.00000
101 7PY 0.00000 -0.01508 0.39581 0.00000 0.26404
102 7PZ 0.00000 -0.12292 -0.21300 0.00000 -0.01155
103 8PX -1.41452 0.00000 0.00000 -0.29849 0.00000
104 8PY 0.00000 1.37808 -0.38938 0.00000 -0.41304
105 8PZ 0.00000 0.37478 -0.81637 0.00000 0.33013
106 9PX -0.42852 0.00000 0.00000 -0.16241 0.00000
107 9PY 0.00000 0.60980 -0.03007 0.00000 -0.06683
108 9PZ 0.00000 0.27049 -0.28725 0.00000 -0.02857
109 10D 0 0.00000 0.12829 0.29155 0.00000 -0.22208
110 10D+1 -0.25666 0.00000 0.00000 0.13072 0.00000
111 10D-1 0.00000 -0.18450 0.37347 0.00000 0.03040
112 10D+2 0.00000 -0.12308 -0.39842 0.00000 0.15988
113 10D-2 0.25331 0.00000 0.00000 0.06406 0.00000
114 11D 0 0.00000 0.07293 -0.38869 0.00000 0.24731
115 11D+1 0.03900 0.00000 0.00000 -0.04625 0.00000
116 11D-1 0.00000 0.06284 0.07257 0.00000 -0.19148
117 11D+2 0.00000 0.24239 0.21532 0.00000 -0.06538
118 11D-2 0.39648 0.00000 0.00000 0.05620 0.00000
119 12D 0 0.00000 0.46184 -0.23289 0.00000 -0.29781
120 12D+1 -0.14240 0.00000 0.00000 0.00491 0.00000
121 12D-1 0.00000 -0.52923 0.27005 0.00000 -0.14057
122 12D+2 0.00000 0.39072 -0.49536 0.00000 -0.03925
123 12D-2 0.81893 0.00000 0.00000 0.23074 0.00000
124 13F 0 0.00000 0.21030 0.19605 0.00000 0.18932
125 13F+1 -0.14478 0.00000 0.00000 0.01203 0.00000
126 13F-1 0.00000 0.10501 -0.04291 0.00000 -0.30366
127 13F+2 0.00000 0.06834 0.23231 0.00000 -0.08660
128 13F-2 0.35645 0.00000 0.00000 -0.23083 0.00000
129 13F+3 0.12585 0.00000 0.00000 0.11436 0.00000
130 13F-3 0.00000 0.21609 0.12578 0.00000 -0.02441
131 14F 0 0.00000 -0.23027 -0.01649 0.00000 -0.26056
132 14F+1 0.27778 0.00000 0.00000 0.11259 0.00000
133 14F-1 0.00000 -0.36066 0.23369 0.00000 0.24855
134 14F+2 0.00000 -0.19928 -0.07618 0.00000 0.00113
135 14F-2 -0.12519 0.00000 0.00000 0.12088 0.00000
136 14F+3 0.33887 0.00000 0.00000 0.03855 0.00000
137 14F-3 0.00000 -0.23044 0.10193 0.00000 -0.06248
138 15G 0 0.00000 -0.21325 0.40679 0.00000 0.05722
139 15G+1 0.25366 0.00000 0.00000 0.28322 0.00000
140 15G-1 0.00000 -0.09280 0.03231 0.00000 0.21466
141 15G+2 0.00000 -0.00791 0.00251 0.00000 0.05954
142 15G-2 -0.14250 0.00000 0.00000 -0.16000 0.00000
143 15G+3 0.07196 0.00000 0.00000 0.15966 0.00000
144 15G-3 0.00000 -0.02545 0.09919 0.00000 -0.07756
145 15G+4 0.00000 -0.15047 -0.01526 0.00000 -0.08717
146 15G-4 -0.14351 0.00000 0.00000 0.13531 0.00000
147 3 H 1S 0.00000 -0.09247 0.03250 -0.05629 -0.02232
148 2S 0.00000 0.33181 0.17083 -0.29589 0.28026
149 3S 0.00000 -2.74789 0.45804 -0.79335 -0.35165
150 4S 0.00000 -0.75589 0.20366 -0.35275 0.06633
151 5S 0.00000 -0.06192 -0.02088 0.03616 -0.02978
152 6PX 0.01525 -0.10414 0.06463 -0.06083 0.01965
153 6PY 0.02641 0.06012 0.01380 0.06463 0.02444
154 6PZ 0.00000 0.02630 -0.00792 0.01372 -0.00431
155 7PX 0.04616 -0.01306 -0.17649 0.29392 -0.14819
156 7PY 0.07995 0.00754 0.09013 -0.17649 0.00736
157 7PZ 0.00000 -0.12292 0.10650 -0.18447 0.00578
158 8PX 0.70726 1.19345 0.03935 -0.36666 -0.26476
159 8PY 1.22501 -0.68904 -0.32121 0.03935 -0.87162
160 8PZ 0.00000 0.37478 0.40819 -0.70700 -0.16506
161 9PX 0.21426 0.52810 -0.05730 -0.06316 -0.13974
162 9PY 0.37111 -0.30490 -0.12933 -0.05730 -0.30887
163 9PZ 0.00000 0.27049 0.14363 -0.24877 0.01428
164 10D 0 0.00000 0.12829 -0.14577 0.25249 0.11104
165 10D+1 0.12833 -0.15978 -0.10511 0.31278 -0.24120
166 10D-1 0.22227 0.09225 0.19141 -0.10511 -0.38737
167 10D+2 -0.21938 0.06154 -0.05156 0.20026 -0.04426
168 10D-2 -0.12666 -0.10659 0.20026 -0.28280 -0.11786
169 11D 0 0.00000 0.07293 0.19434 -0.33662 -0.12365
170 11D+1 -0.01950 0.05442 -0.05145 0.04286 0.14390
171 11D-1 -0.03378 -0.03142 -0.01655 -0.05145 0.05777
172 11D+2 -0.34336 -0.12120 0.09598 -0.06890 0.36880
173 11D-2 -0.19824 0.20992 -0.06890 0.17554 0.25068
174 12D 0 0.00000 0.46184 0.11645 -0.20169 0.14890
175 12D+1 0.07120 -0.45832 -0.11481 0.20377 -0.27475
176 12D-1 0.12333 0.26461 0.07119 -0.11481 -0.61646
177 12D+2 -0.70921 -0.19536 0.04922 0.31441 0.33297
178 12D-2 -0.40946 0.33837 0.31441 -0.31384 0.21490
179 13F 0 0.00000 0.21030 -0.09802 0.16978 -0.09466
180 13F+1 0.07239 0.09095 0.02379 -0.02918 0.22543
181 13F-1 0.12538 -0.05251 -0.00170 0.02379 0.08679
182 13F+2 -0.30870 -0.03417 -0.11505 -0.20055 -0.25692
183 13F-2 -0.17823 0.05918 -0.20055 0.11653 -0.09833
184 13F+3 0.12585 0.00000 -0.09904 -0.05718 -0.09180
185 13F-3 0.00000 0.21609 -0.06289 0.10893 0.01221
186 14F 0 0.00000 -0.23027 0.00825 -0.01428 0.13028
187 14F+1 -0.13889 -0.31234 -0.05244 0.20342 -0.23939
188 14F-1 -0.24056 0.18033 0.14287 -0.05244 -0.16609
189 14F+2 0.10842 0.09964 0.07162 0.08533 0.50802
190 14F-2 0.06260 -0.17258 0.08533 -0.02691 0.29266
191 14F+3 0.33887 0.00000 -0.03338 -0.01927 -0.14667
192 14F-3 0.00000 -0.23044 -0.05097 0.08828 0.03124
193 15G 0 0.00000 -0.21325 -0.20340 0.35229 -0.02861
194 15G+1 -0.12683 -0.08037 0.10865 0.09504 -0.08854
195 15G-1 -0.21968 0.04640 0.22049 0.10865 0.06131
196 15G+2 0.12341 0.00396 -0.11938 -0.07037 0.24111
197 15G-2 0.07125 -0.00685 -0.07037 -0.03812 0.10483
198 15G+3 0.07196 0.00000 -0.13827 -0.07983 -0.34979
199 15G-3 0.00000 -0.02545 -0.04960 0.08591 0.03878
200 15G+4 -0.12429 0.07524 -0.10530 -0.05199 0.02953
201 15G-4 0.07176 0.13031 0.05199 0.04527 -0.06738
202 4 H 1S 0.00000 -0.09247 0.03250 0.05629 -0.02232
203 2S 0.00000 0.33181 0.17083 0.29589 0.28026
204 3S 0.00000 -2.74789 0.45804 0.79335 -0.35165
205 4S 0.00000 -0.75589 0.20366 0.35275 0.06633
206 5S 0.00000 -0.06192 -0.02088 -0.03616 -0.02978
207 6PX 0.01525 0.10414 -0.06463 -0.06083 -0.01965
208 6PY -0.02641 0.06012 0.01380 -0.06463 0.02444
209 6PZ 0.00000 0.02630 -0.00792 -0.01372 -0.00431
210 7PX 0.04616 0.01306 0.17649 0.29392 0.14819
211 7PY -0.07995 0.00754 0.09013 0.17649 0.00736
212 7PZ 0.00000 -0.12292 0.10650 0.18447 0.00578
213 8PX 0.70726 -1.19345 -0.03935 -0.36666 0.26476
214 8PY -1.22501 -0.68904 -0.32121 -0.03935 -0.87162
215 8PZ 0.00000 0.37478 0.40819 0.70700 -0.16506
216 9PX 0.21426 -0.52810 0.05730 -0.06316 0.13974
217 9PY -0.37111 -0.30490 -0.12933 0.05730 -0.30887
218 9PZ 0.00000 0.27049 0.14363 0.24877 0.01428
219 10D 0 0.00000 0.12829 -0.14577 -0.25249 0.11104
220 10D+1 0.12833 0.15978 0.10511 0.31278 0.24120
221 10D-1 -0.22227 0.09225 0.19141 0.10511 -0.38737
222 10D+2 0.21938 0.06154 -0.05156 -0.20026 -0.04426
223 10D-2 -0.12666 0.10659 -0.20026 -0.28280 0.11786
224 11D 0 0.00000 0.07293 0.19434 0.33662 -0.12365
225 11D+1 -0.01950 -0.05442 0.05145 0.04286 -0.14390
226 11D-1 0.03378 -0.03142 -0.01655 0.05145 0.05777
227 11D+2 0.34336 -0.12120 0.09598 0.06890 0.36880
228 11D-2 -0.19824 -0.20992 0.06890 0.17554 -0.25068
229 12D 0 0.00000 0.46184 0.11645 0.20169 0.14890
230 12D+1 0.07120 0.45832 0.11481 0.20377 0.27475
231 12D-1 -0.12333 0.26461 0.07119 0.11481 -0.61646
232 12D+2 0.70921 -0.19536 0.04922 -0.31441 0.33297
233 12D-2 -0.40946 -0.33837 -0.31441 -0.31384 -0.21490
234 13F 0 0.00000 0.21030 -0.09802 -0.16978 -0.09466
235 13F+1 0.07239 -0.09095 -0.02379 -0.02918 -0.22543
236 13F-1 -0.12538 -0.05251 -0.00170 -0.02379 0.08679
237 13F+2 0.30870 -0.03417 -0.11505 0.20055 -0.25692
238 13F-2 -0.17823 -0.05918 0.20055 0.11653 0.09833
239 13F+3 0.12585 0.00000 0.09904 -0.05718 0.09180
240 13F-3 0.00000 0.21609 -0.06289 -0.10893 0.01221
241 14F 0 0.00000 -0.23027 0.00825 0.01428 0.13028
242 14F+1 -0.13889 0.31234 0.05244 0.20342 0.23939
243 14F-1 0.24056 0.18033 0.14287 0.05244 -0.16609
244 14F+2 -0.10842 0.09964 0.07162 -0.08533 0.50802
245 14F-2 0.06260 0.17258 -0.08533 -0.02691 -0.29266
246 14F+3 0.33887 0.00000 0.03338 -0.01927 0.14667
247 14F-3 0.00000 -0.23044 -0.05097 -0.08828 0.03124
248 15G 0 0.00000 -0.21325 -0.20340 -0.35229 -0.02861
249 15G+1 -0.12683 0.08037 -0.10865 0.09504 0.08854
250 15G-1 0.21968 0.04640 0.22049 -0.10865 0.06131
251 15G+2 -0.12341 0.00396 -0.11938 0.07037 0.24111
252 15G-2 0.07125 0.00685 0.07037 -0.03812 -0.10483
253 15G+3 0.07196 0.00000 0.13827 -0.07983 0.34979
254 15G-3 0.00000 -0.02545 -0.04960 -0.08591 0.03878
255 15G+4 0.12429 0.07524 -0.10530 0.05199 0.02953
256 15G-4 0.07176 -0.13031 -0.05199 0.04527 0.06738
181 182 183 184 185
(E)--V (A1)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 13.57610 13.63855 13.64793 13.68829 13.68829
1 1 N 1S 0.00000 -0.00895 0.00000 0.00000 0.00000
2 2S 0.00000 0.02465 0.00000 0.00000 0.00000
3 3S 0.00000 0.10839 0.00000 0.00000 0.00000
4 4S 0.00000 -0.61151 0.00000 0.00000 0.00000
5 5S 0.00000 2.36596 0.00000 0.00000 0.00000
6 6S 0.00000 1.60987 0.00000 0.00000 0.00000
7 7PX 0.05236 0.00000 0.00000 0.00000 0.32989
8 7PY 0.00000 0.00000 0.00000 0.32989 0.00000
9 7PZ 0.00000 -0.00863 0.00000 0.00000 0.00000
10 8PX -0.41593 0.00000 0.00000 0.00000 -0.33419
11 8PY 0.00000 0.00000 0.00000 -0.33419 0.00000
12 8PZ 0.00000 -0.16656 0.00000 0.00000 0.00000
13 9PX 1.16039 0.00000 0.00000 0.00000 2.34994
14 9PY 0.00000 0.00000 0.00000 2.34994 0.00000
15 9PZ 0.00000 1.17283 0.00000 0.00000 0.00000
16 10PX 0.73232 0.00000 0.00000 0.00000 1.53569
17 10PY 0.00000 0.00000 0.00000 1.53569 0.00000
18 10PZ 0.00000 -0.48244 0.00000 0.00000 0.00000
19 11PX 0.01608 0.00000 0.00000 0.00000 0.44045
20 11PY 0.00000 0.00000 0.00000 0.44045 0.00000
21 11PZ 0.00000 -0.24854 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.00493 0.00000 0.00000 0.00000
23 12D+1 -0.03329 0.00000 0.00000 0.00000 0.12234
24 12D-1 0.00000 0.00000 0.00000 0.12234 0.00000
25 12D+2 0.00000 0.00000 0.00000 0.09612 0.00000
26 12D-2 0.01096 0.00000 0.00000 0.00000 0.09612
27 13D 0 0.00000 -0.02621 0.00000 0.00000 0.00000
28 13D+1 0.08181 0.00000 0.00000 0.00000 -0.08782
29 13D-1 0.00000 0.00000 0.00000 -0.08782 0.00000
30 13D+2 0.00000 0.00000 0.00000 -0.05578 0.00000
31 13D-2 0.00909 0.00000 0.00000 0.00000 -0.05578
32 14D 0 0.00000 -0.82144 0.00000 0.00000 0.00000
33 14D+1 -0.32910 0.00000 0.00000 0.00000 0.08959
34 14D-1 0.00000 0.00000 0.00000 0.08959 0.00000
35 14D+2 0.00000 0.00000 0.00000 -0.30893 0.00000
36 14D-2 1.38021 0.00000 0.00000 0.00000 -0.30893
37 15D 0 0.00000 0.19953 0.00000 0.00000 0.00000
38 15D+1 0.03565 0.00000 0.00000 0.00000 -0.36467
39 15D-1 0.00000 0.00000 0.00000 -0.36467 0.00000
40 15D+2 0.00000 0.00000 0.00000 -0.10378 0.00000
41 15D-2 0.37533 0.00000 0.00000 0.00000 -0.10378
42 16F 0 0.00000 0.19922 0.00000 0.00000 0.00000
43 16F+1 0.13194 0.00000 0.00000 0.00000 0.03801
44 16F-1 0.00000 0.00000 0.00000 0.03801 0.00000
45 16F+2 0.00000 0.00000 0.00000 0.32588 0.00000
46 16F-2 0.06158 0.00000 0.00000 0.00000 0.32588
47 16F+3 0.00000 0.00000 0.37485 0.00000 0.00000
48 16F-3 0.00000 0.22649 0.00000 0.00000 0.00000
49 17F 0 0.00000 -0.21540 0.00000 0.00000 0.00000
50 17F+1 -0.08116 0.00000 0.00000 0.00000 -0.31126
51 17F-1 0.00000 0.00000 0.00000 -0.31126 0.00000
52 17F+2 0.00000 0.00000 0.00000 -0.46115 0.00000
53 17F-2 -0.14303 0.00000 0.00000 0.00000 -0.46115
54 17F+3 0.00000 0.00000 -0.78097 0.00000 0.00000
55 17F-3 0.00000 -0.58362 0.00000 0.00000 0.00000
56 18F 0 0.00000 -0.36917 0.00000 0.00000 0.00000
57 18F+1 -0.07067 0.00000 0.00000 0.00000 -0.02642
58 18F-1 0.00000 0.00000 0.00000 -0.02642 0.00000
59 18F+2 0.00000 0.00000 0.00000 0.04977 0.00000
60 18F-2 0.15744 0.00000 0.00000 0.00000 0.04977
61 18F+3 0.00000 0.00000 -0.03676 0.00000 0.00000
62 18F-3 0.00000 -0.54633 0.00000 0.00000 0.00000
63 19G 0 0.00000 -0.17071 0.00000 0.00000 0.00000
64 19G+1 0.01602 0.00000 0.00000 0.00000 0.09057
65 19G-1 0.00000 0.00000 0.00000 0.09057 0.00000
66 19G+2 0.00000 0.00000 0.00000 -0.07350 0.00000
67 19G-2 0.28196 0.00000 0.00000 0.00000 -0.07350
68 19G+3 0.00000 0.00000 0.14272 0.00000 0.00000
69 19G-3 0.00000 -0.12356 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.00000 0.00000 0.27685 0.00000
71 19G-4 0.21776 0.00000 0.00000 0.00000 -0.27685
72 20G 0 0.00000 0.34776 0.00000 0.00000 0.00000
73 20G+1 0.00937 0.00000 0.00000 0.00000 0.00643
74 20G-1 0.00000 0.00000 0.00000 0.00643 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.21484 0.00000
76 20G-2 -0.56933 0.00000 0.00000 0.00000 0.21484
77 20G+3 0.00000 0.00000 -0.10688 0.00000 0.00000
78 20G-3 0.00000 0.08015 0.00000 0.00000 0.00000
79 20G+4 0.00000 0.00000 0.00000 -0.36710 0.00000
80 20G-4 -0.74505 0.00000 0.00000 0.00000 0.36710
81 21H 0 0.00000 -0.14406 0.00000 0.00000 0.00000
82 21H+1 -0.09965 0.00000 0.00000 0.00000 -0.07673
83 21H-1 0.00000 0.00000 0.00000 -0.07673 0.00000
84 21H+2 0.00000 0.00000 0.00000 -0.01486 0.00000
85 21H-2 0.09511 0.00000 0.00000 0.00000 -0.01486
86 21H+3 0.00000 0.00000 0.00166 0.00000 0.00000
87 21H-3 0.00000 0.16294 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.00000 0.00000 0.25457 0.00000
89 21H-4 0.25782 0.00000 0.00000 0.00000 -0.25457
90 21H+5 0.15545 0.00000 0.00000 0.00000 -0.10621
91 21H-5 0.00000 0.00000 0.00000 0.10621 0.00000
92 2 H 1S 0.00000 0.00074 0.00000 -0.11521 0.00000
93 2S 0.00000 -0.04018 0.00000 0.68249 0.00000
94 3S 0.00000 -0.57222 0.00000 -2.24832 0.00000
95 4S 0.00000 -0.76691 0.00000 -0.57582 0.00000
96 5S 0.00000 -0.01151 0.00000 -0.22035 0.00000
97 6PX 0.03578 0.00000 0.06133 0.00000 0.02537
98 6PY 0.00000 -0.01214 0.00000 -0.07210 0.00000
99 6PZ 0.00000 0.00206 0.00000 0.05900 0.00000
100 7PX -0.07820 0.00000 0.11908 0.00000 0.18255
101 7PY 0.00000 0.02866 0.00000 -0.14818 0.00000
102 7PZ 0.00000 -0.06274 0.00000 0.15710 0.00000
103 8PX -1.02448 0.00000 -0.54552 0.00000 -0.20284
104 8PY 0.00000 0.04087 0.00000 0.88994 0.00000
105 8PZ 0.00000 -0.57248 0.00000 -0.95477 0.00000
106 9PX -0.38956 0.00000 -0.52821 0.00000 -0.55624
107 9PY 0.00000 0.30215 0.00000 0.25317 0.00000
108 9PZ 0.00000 -0.09811 0.00000 -0.64036 0.00000
109 10D 0 0.00000 -0.47906 0.00000 -0.06449 0.00000
110 10D+1 -0.52663 0.00000 -0.21179 0.00000 -0.23354
111 10D-1 0.00000 -0.08490 0.00000 0.20493 0.00000
112 10D+2 0.00000 0.35558 0.00000 -0.43586 0.00000
113 10D-2 -0.11230 0.00000 0.19617 0.00000 0.28572
114 11D 0 0.00000 0.24652 0.00000 0.02983 0.00000
115 11D+1 0.14085 0.00000 0.14555 0.00000 0.31000
116 11D-1 0.00000 0.29373 0.00000 -0.02302 0.00000
117 11D+2 0.00000 -0.37747 0.00000 0.37320 0.00000
118 11D-2 0.51353 0.00000 -0.11438 0.00000 -0.39093
119 12D 0 0.00000 -0.52807 0.00000 -0.24951 0.00000
120 12D+1 -0.77508 0.00000 -0.36706 0.00000 -0.13900
121 12D-1 0.00000 0.09515 0.00000 0.98867 0.00000
122 12D+2 0.00000 0.20813 0.00000 0.00807 0.00000
123 12D-2 0.45704 0.00000 0.83216 0.00000 0.72489
124 13F 0 0.00000 0.19446 0.00000 -0.32806 0.00000
125 13F+1 0.21695 0.00000 -0.10050 0.00000 0.03892
126 13F-1 0.00000 -0.21134 0.00000 -0.10273 0.00000
127 13F+2 0.00000 0.04726 0.00000 -0.26201 0.00000
128 13F-2 -0.31369 0.00000 -0.40721 0.00000 -0.03226
129 13F+3 0.10600 0.00000 -0.25859 0.00000 -0.39138
130 13F-3 0.00000 0.19802 0.00000 0.11454 0.00000
131 14F 0 0.00000 -0.17211 0.00000 0.41599 0.00000
132 14F+1 -0.30430 0.00000 0.07836 0.00000 0.05792
133 14F-1 0.00000 0.41356 0.00000 0.29605 0.00000
134 14F+2 0.00000 0.04021 0.00000 0.44438 0.00000
135 14F-2 0.67699 0.00000 0.50397 0.00000 0.01994
136 14F+3 0.16936 0.00000 0.46171 0.00000 0.45415
137 14F-3 0.00000 -0.14179 0.00000 -0.01841 0.00000
138 15G 0 0.00000 0.07696 0.00000 0.00266 0.00000
139 15G+1 0.01019 0.00000 0.08901 0.00000 0.04485
140 15G-1 0.00000 0.13349 0.00000 -0.20442 0.00000
141 15G+2 0.00000 0.23186 0.00000 0.24814 0.00000
142 15G-2 0.30163 0.00000 0.02158 0.00000 -0.01986
143 15G+3 0.40390 0.00000 0.34421 0.00000 0.14350
144 15G-3 0.00000 -0.05719 0.00000 -0.26797 0.00000
145 15G+4 0.00000 -0.14767 0.00000 0.15234 0.00000
146 15G-4 -0.06844 0.00000 -0.20103 0.00000 -0.09450
147 3 H 1S 0.03866 0.00074 0.00000 0.05761 -0.09978
148 2S -0.48542 -0.04018 0.00000 -0.34125 0.59106
149 3S 0.60908 -0.57222 0.00000 1.12416 -1.94710
150 4S -0.11489 -0.76691 0.00000 0.28791 -0.49867
151 5S 0.05159 -0.01151 0.00000 0.11018 -0.19083
152 6PX 0.00174 -0.01052 -0.03066 0.04220 -0.04773
153 6PY 0.01965 0.00607 -0.05311 0.00100 0.04220
154 6PZ 0.00746 0.00206 0.00000 -0.02950 0.05110
155 7PX 0.17848 0.02482 -0.05954 0.14321 -0.06550
156 7PY -0.14819 -0.01433 -0.10313 0.09986 0.14321
157 7PZ -0.01000 -0.06274 0.00000 -0.07855 0.13606
158 8PX -0.56590 0.03540 0.27276 -0.47319 0.61674
159 8PY -0.26476 -0.02044 0.47243 0.07035 -0.47319
160 8PZ 0.28590 -0.57248 0.00000 0.47739 -0.82686
161 9PX -0.14751 0.26167 0.26410 -0.35048 0.05082
162 9PY -0.13974 -0.15108 0.45744 -0.35389 -0.35048
163 9PZ -0.02474 -0.09811 0.00000 0.32018 -0.55457
164 10D 0 -0.19233 -0.47906 0.00000 0.03224 -0.05585
165 10D+1 -0.10886 -0.07353 0.10589 -0.18987 0.09531
166 10D-1 -0.24120 0.04245 0.18341 -0.12392 -0.18987
167 10D+2 -0.11786 -0.17779 -0.16989 0.10533 0.31245
168 10D-2 0.09183 0.30794 -0.09809 0.31245 -0.25546
169 11D 0 0.21417 0.24652 0.00000 -0.01492 0.02584
170 11D+1 -0.10840 0.25437 -0.07278 0.14420 0.06023
171 11D-1 0.14390 -0.14686 -0.12605 0.22675 0.14420
172 11D+2 0.25068 0.18873 0.09905 -0.19990 -0.33088
173 11D-2 0.07935 -0.32690 0.05719 -0.33088 0.18217
174 12D 0 -0.25791 -0.52807 0.00000 0.12475 -0.21608
175 12D+1 -0.29920 0.08240 0.18353 -0.48829 0.70675
176 12D-1 -0.27475 -0.04757 0.31788 0.14292 -0.48829
177 12D+2 0.21490 -0.10406 -0.72067 0.54569 0.31040
178 12D-2 0.08482 0.18024 -0.41608 0.31040 0.18727
179 13F 0 0.16395 0.19446 0.00000 0.16403 -0.28411
180 13F+1 -0.17351 -0.18303 0.05025 0.06134 -0.06732
181 13F-1 0.22543 0.10567 0.08704 0.00351 0.06134
182 13F+2 -0.09833 -0.02363 0.35266 -0.08970 0.09949
183 13F-2 -0.14338 0.04093 0.20361 0.09949 -0.20458
184 13F+3 -0.05300 0.00000 -0.25859 0.33895 0.19569
185 13F-3 -0.02114 0.19802 0.00000 -0.05727 0.09919
186 14F 0 -0.22565 -0.17211 0.00000 -0.20800 0.36026
187 14F+1 0.11034 0.35815 -0.03918 -0.10312 0.23652
188 14F-1 -0.23939 -0.20678 -0.06786 0.11745 -0.10312
189 14F+2 0.29266 -0.02011 -0.43645 0.12605 -0.18379
190 14F-2 0.17009 0.03482 -0.25199 -0.18379 0.33827
191 14F+3 -0.08468 0.00000 0.46171 -0.39331 -0.22708
192 14F-3 -0.05411 -0.14179 0.00000 0.00920 -0.01594
193 15G 0 0.04955 0.07696 0.00000 -0.00133 0.00230
194 15G+1 0.16354 0.11561 -0.04450 0.10794 -0.14210
195 15G-1 -0.08854 -0.06675 -0.07708 -0.01747 0.10794
196 15G+2 0.10483 -0.11593 -0.01869 0.04714 -0.11605
197 15G-2 0.12007 0.20080 -0.01079 -0.11605 0.18114
198 15G+3 -0.20195 0.00000 0.34421 -0.12427 -0.07175
199 15G-3 -0.06717 -0.05719 0.00000 0.13399 -0.23207
200 15G+4 0.06738 0.07384 -0.17410 0.10896 -0.02505
201 15G-4 0.04827 0.12789 0.10052 0.02505 -0.13788
202 4 H 1S -0.03866 0.00074 0.00000 0.05761 0.09978
203 2S 0.48542 -0.04018 0.00000 -0.34125 -0.59106
204 3S -0.60908 -0.57222 0.00000 1.12416 1.94710
205 4S 0.11489 -0.76691 0.00000 0.28791 0.49867
206 5S -0.05159 -0.01151 0.00000 0.11018 0.19083
207 6PX 0.00174 0.01052 -0.03066 -0.04220 -0.04773
208 6PY -0.01965 0.00607 0.05311 0.00100 -0.04220
209 6PZ -0.00746 0.00206 0.00000 -0.02950 -0.05110
210 7PX 0.17848 -0.02482 -0.05954 -0.14321 -0.06550
211 7PY 0.14819 -0.01433 0.10313 0.09986 -0.14321
212 7PZ 0.01000 -0.06274 0.00000 -0.07855 -0.13606
213 8PX -0.56590 -0.03540 0.27276 0.47319 0.61674
214 8PY 0.26476 -0.02044 -0.47243 0.07035 0.47319
215 8PZ -0.28590 -0.57248 0.00000 0.47739 0.82686
216 9PX -0.14751 -0.26167 0.26410 0.35048 0.05082
217 9PY 0.13974 -0.15108 -0.45744 -0.35389 0.35048
218 9PZ 0.02474 -0.09811 0.00000 0.32018 0.55457
219 10D 0 0.19233 -0.47906 0.00000 0.03224 0.05585
220 10D+1 -0.10886 0.07353 0.10589 0.18987 0.09531
221 10D-1 0.24120 0.04245 -0.18341 -0.12392 0.18987
222 10D+2 0.11786 -0.17779 0.16989 0.10533 -0.31245
223 10D-2 0.09183 -0.30794 -0.09809 -0.31245 -0.25546
224 11D 0 -0.21417 0.24652 0.00000 -0.01492 -0.02584
225 11D+1 -0.10840 -0.25437 -0.07278 -0.14420 0.06023
226 11D-1 -0.14390 -0.14686 0.12605 0.22675 -0.14420
227 11D+2 -0.25068 0.18873 -0.09905 -0.19990 0.33088
228 11D-2 0.07935 0.32690 0.05719 0.33088 0.18217
229 12D 0 0.25791 -0.52807 0.00000 0.12475 0.21608
230 12D+1 -0.29920 -0.08240 0.18353 0.48829 0.70675
231 12D-1 0.27475 -0.04757 -0.31788 0.14292 0.48829
232 12D+2 -0.21490 -0.10406 0.72067 0.54569 -0.31040
233 12D-2 0.08482 -0.18024 -0.41608 -0.31040 0.18727
234 13F 0 -0.16395 0.19446 0.00000 0.16403 0.28411
235 13F+1 -0.17351 0.18303 0.05025 -0.06134 -0.06732
236 13F-1 -0.22543 0.10567 -0.08704 0.00351 -0.06134
237 13F+2 0.09833 -0.02363 -0.35266 -0.08970 -0.09949
238 13F-2 -0.14338 -0.04093 0.20361 -0.09949 -0.20458
239 13F+3 -0.05300 0.00000 -0.25859 -0.33895 0.19569
240 13F-3 0.02114 0.19802 0.00000 -0.05727 -0.09919
241 14F 0 0.22565 -0.17211 0.00000 -0.20800 -0.36026
242 14F+1 0.11034 -0.35815 -0.03918 0.10312 0.23652
243 14F-1 0.23939 -0.20678 0.06786 0.11745 0.10312
244 14F+2 -0.29266 -0.02011 0.43645 0.12605 0.18379
245 14F-2 0.17009 -0.03482 -0.25199 0.18379 0.33827
246 14F+3 -0.08468 0.00000 0.46171 0.39331 -0.22708
247 14F-3 0.05411 -0.14179 0.00000 0.00920 0.01594
248 15G 0 -0.04955 0.07696 0.00000 -0.00133 -0.00230
249 15G+1 0.16354 -0.11561 -0.04450 -0.10794 -0.14210
250 15G-1 0.08854 -0.06675 0.07708 -0.01747 -0.10794
251 15G+2 -0.10483 -0.11593 0.01869 0.04714 0.11605
252 15G-2 0.12007 -0.20080 -0.01079 0.11605 0.18114
253 15G+3 -0.20195 0.00000 0.34421 0.12427 -0.07175
254 15G-3 0.06717 -0.05719 0.00000 0.13399 0.23207
255 15G+4 -0.06738 0.07384 0.17410 0.10896 0.02505
256 15G-4 0.04827 -0.12789 0.10052 -0.02505 -0.13788
186 187 188 189 190
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 13.78055 13.78055 13.82978 13.84989 13.84989
1 1 N 1S 0.00000 0.00000 -0.00821 0.00000 0.00000
2 2S 0.00000 0.00000 -0.02536 0.00000 0.00000
3 3S 0.00000 0.00000 -0.30692 0.00000 0.00000
4 4S 0.00000 0.00000 1.26152 0.00000 0.00000
5 5S 0.00000 0.00000 -2.19329 0.00000 0.00000
6 6S 0.00000 0.00000 -3.45243 0.00000 0.00000
7 7PX 0.00000 -0.15650 0.00000 -0.08327 0.00000
8 7PY -0.15650 0.00000 0.00000 0.00000 -0.08327
9 7PZ 0.00000 0.00000 0.19450 0.00000 0.00000
10 8PX 0.00000 0.12569 0.00000 -0.16534 0.00000
11 8PY 0.12569 0.00000 0.00000 0.00000 -0.16534
12 8PZ 0.00000 0.00000 -0.94730 0.00000 0.00000
13 9PX 0.00000 -1.13455 0.00000 0.23617 0.00000
14 9PY -1.13455 0.00000 0.00000 0.00000 0.23617
15 9PZ 0.00000 0.00000 3.48032 0.00000 0.00000
16 10PX 0.00000 -1.33360 0.00000 2.75713 0.00000
17 10PY -1.33360 0.00000 0.00000 0.00000 2.75713
18 10PZ 0.00000 0.00000 3.03505 0.00000 0.00000
19 11PX 0.00000 -0.22233 0.00000 0.20331 0.00000
20 11PY -0.22233 0.00000 0.00000 0.00000 0.20331
21 11PZ 0.00000 0.00000 0.59566 0.00000 0.00000
22 12D 0 0.00000 0.00000 -0.03107 0.00000 0.00000
23 12D+1 0.00000 -0.08748 0.00000 -0.03074 0.00000
24 12D-1 -0.08748 0.00000 0.00000 0.00000 -0.03074
25 12D+2 -0.06026 0.00000 0.00000 0.00000 -0.05331
26 12D-2 0.00000 -0.06026 0.00000 -0.05331 0.00000
27 13D 0 0.00000 0.00000 -0.06637 0.00000 0.00000
28 13D+1 0.00000 0.13469 0.00000 0.17423 0.00000
29 13D-1 0.13469 0.00000 0.00000 0.00000 0.17423
30 13D+2 0.06862 0.00000 0.00000 0.00000 0.11912
31 13D-2 0.00000 0.06862 0.00000 0.11912 0.00000
32 14D 0 0.00000 0.00000 -2.04633 0.00000 0.00000
33 14D+1 0.00000 -0.05786 0.00000 0.84317 0.00000
34 14D-1 -0.05786 0.00000 0.00000 0.00000 0.84317
35 14D+2 0.70838 0.00000 0.00000 0.00000 -0.89261
36 14D-2 0.00000 0.70838 0.00000 -0.89261 0.00000
37 15D 0 0.00000 0.00000 -0.78569 0.00000 0.00000
38 15D+1 0.00000 0.25551 0.00000 -0.57801 0.00000
39 15D-1 0.25551 0.00000 0.00000 0.00000 -0.57801
40 15D+2 0.72765 0.00000 0.00000 0.00000 -0.92860
41 15D-2 0.00000 0.72765 0.00000 -0.92860 0.00000
42 16F 0 0.00000 0.00000 -0.04073 0.00000 0.00000
43 16F+1 0.00000 0.09774 0.00000 0.31775 0.00000
44 16F-1 0.09774 0.00000 0.00000 0.00000 0.31775
45 16F+2 -0.02017 0.00000 0.00000 0.00000 0.01804
46 16F-2 0.00000 -0.02017 0.00000 0.01804 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.30549 0.00000 0.00000
49 17F 0 0.00000 0.00000 -0.12728 0.00000 0.00000
50 17F+1 0.00000 -0.08622 0.00000 -0.81795 0.00000
51 17F-1 -0.08622 0.00000 0.00000 0.00000 -0.81795
52 17F+2 0.12757 0.00000 0.00000 0.00000 -0.24452
53 17F-2 0.00000 0.12757 0.00000 -0.24452 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -0.59635 0.00000 0.00000
56 18F 0 0.00000 0.00000 -0.55602 0.00000 0.00000
57 18F+1 0.00000 -0.11263 0.00000 -0.24441 0.00000
58 18F-1 -0.11263 0.00000 0.00000 0.00000 -0.24441
59 18F+2 0.11066 0.00000 0.00000 0.00000 -0.12569
60 18F-2 0.00000 0.11066 0.00000 -0.12569 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -0.06063 0.00000 0.00000
63 19G 0 0.00000 0.00000 -0.16739 0.00000 0.00000
64 19G+1 0.00000 -0.38982 0.00000 -0.05227 0.00000
65 19G-1 -0.38982 0.00000 0.00000 0.00000 -0.05227
66 19G+2 0.17284 0.00000 0.00000 0.00000 -0.18220
67 19G-2 0.00000 0.17284 0.00000 -0.18220 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.29602 0.00000 0.00000
70 19G+4 -0.02294 0.00000 0.00000 0.00000 -0.03471
71 19G-4 0.00000 0.02294 0.00000 0.03471 0.00000
72 20G 0 0.00000 0.00000 0.68955 0.00000 0.00000
73 20G+1 0.00000 0.43356 0.00000 0.09487 0.00000
74 20G-1 0.43356 0.00000 0.00000 0.00000 0.09487
75 20G+2 -0.25006 0.00000 0.00000 0.00000 0.54046
76 20G-2 0.00000 -0.25006 0.00000 0.54046 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 -0.56143 0.00000 0.00000
79 20G+4 -0.06765 0.00000 0.00000 0.00000 0.09005
80 20G-4 0.00000 0.06765 0.00000 -0.09005 0.00000
81 21H 0 0.00000 0.00000 -0.28582 0.00000 0.00000
82 21H+1 0.00000 0.01127 0.00000 0.17081 0.00000
83 21H-1 0.01127 0.00000 0.00000 0.00000 0.17081
84 21H+2 -0.03994 0.00000 0.00000 0.00000 -0.20994
85 21H-2 0.00000 -0.03994 0.00000 -0.20994 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.32647 0.00000 0.00000
88 21H+4 -0.09057 0.00000 0.00000 0.00000 -0.17538
89 21H-4 0.00000 0.09057 0.00000 0.17538 0.00000
90 21H+5 0.00000 0.14656 0.00000 -0.16533 0.00000
91 21H-5 -0.14656 0.00000 0.00000 0.00000 0.16533
92 2 H 1S 0.24384 0.00000 -0.18303 0.00000 -0.02930
93 2S -0.84395 0.00000 0.62369 0.00000 -0.25662
94 3S 2.41257 0.00000 0.01241 0.00000 -1.21351
95 4S 0.41196 0.00000 1.62364 0.00000 -0.34676
96 5S 0.14875 0.00000 -0.01286 0.00000 0.05551
97 6PX 0.00000 0.00024 0.00000 0.01798 0.00000
98 6PY 0.11154 0.00000 -0.05894 0.00000 -0.00051
99 6PZ -0.03700 0.00000 0.07189 0.00000 0.08020
100 7PX 0.00000 -0.05748 0.00000 0.02855 0.00000
101 7PY 0.06500 0.00000 -0.03651 0.00000 0.28683
102 7PZ -0.04158 0.00000 -0.03508 0.00000 -0.14571
103 8PX 0.00000 -0.08911 0.00000 -0.10150 0.00000
104 8PY -0.81670 0.00000 -0.51986 0.00000 -0.73214
105 8PZ 0.62794 0.00000 -1.25152 0.00000 -1.01945
106 9PX 0.00000 0.11272 0.00000 -0.27919 0.00000
107 9PY -0.24503 0.00000 -0.72664 0.00000 -0.51601
108 9PZ 0.38344 0.00000 -0.53737 0.00000 -0.59879
109 10D 0 0.45082 0.00000 0.23556 0.00000 -0.50715
110 10D+1 0.00000 -0.27730 0.00000 0.35473 0.00000
111 10D-1 0.23328 0.00000 0.18674 0.00000 -0.07389
112 10D+2 -0.10353 0.00000 -0.40521 0.00000 0.29540
113 10D-2 0.00000 -0.26194 0.00000 0.10603 0.00000
114 11D 0 -0.36927 0.00000 -0.51085 0.00000 0.17360
115 11D+1 0.00000 0.17383 0.00000 -0.25112 0.00000
116 11D-1 -0.35089 0.00000 0.27066 0.00000 0.40647
117 11D+2 0.02511 0.00000 0.20372 0.00000 -0.37867
118 11D-2 0.00000 0.33134 0.00000 -0.11297 0.00000
119 12D 0 0.52421 0.00000 -0.58361 0.00000 -1.05823
120 12D+1 0.00000 -0.26418 0.00000 0.33844 0.00000
121 12D-1 -0.13012 0.00000 0.70971 0.00000 0.43142
122 12D+2 -0.51222 0.00000 -0.51909 0.00000 -0.71171
123 12D-2 0.00000 -0.29997 0.00000 0.28773 0.00000
124 13F 0 -0.19761 0.00000 0.07700 0.00000 -0.08589
125 13F+1 0.00000 0.15291 0.00000 0.01305 0.00000
126 13F-1 0.11871 0.00000 -0.20223 0.00000 -0.20948
127 13F+2 -0.09404 0.00000 0.04444 0.00000 -0.01863
128 13F-2 0.00000 0.00064 0.00000 -0.00294 0.00000
129 13F+3 0.00000 0.03126 0.00000 -0.04380 0.00000
130 13F-3 -0.51260 0.00000 0.04260 0.00000 -0.32283
131 14F 0 0.25769 0.00000 0.04686 0.00000 0.10320
132 14F+1 0.00000 -0.16955 0.00000 0.05845 0.00000
133 14F-1 -0.24009 0.00000 0.61775 0.00000 0.70837
134 14F+2 -0.02516 0.00000 0.19855 0.00000 0.14966
135 14F-2 0.00000 0.11179 0.00000 -0.15314 0.00000
136 14F+3 0.00000 -0.08050 0.00000 0.12052 0.00000
137 14F-3 0.59896 0.00000 0.16122 0.00000 0.48335
138 15G 0 0.06469 0.00000 0.18177 0.00000 0.38444
139 15G+1 0.00000 0.02156 0.00000 -0.00979 0.00000
140 15G-1 -0.29235 0.00000 -0.04126 0.00000 0.05914
141 15G+2 -0.05038 0.00000 0.35568 0.00000 0.34853
142 15G-2 0.00000 0.15555 0.00000 0.03596 0.00000
143 15G+3 0.00000 -0.00680 0.00000 -0.18206 0.00000
144 15G-3 0.18410 0.00000 -0.03536 0.00000 0.06310
145 15G+4 0.26651 0.00000 0.12109 0.00000 0.17887
146 15G-4 0.00000 -0.05755 0.00000 -0.19558 0.00000
147 3 H 1S -0.12192 0.21117 -0.18303 -0.02537 0.01465
148 2S 0.42197 -0.73088 0.62369 -0.22224 0.12831
149 3S -1.20629 2.08935 0.01241 -1.05093 0.60675
150 4S -0.20598 0.35677 1.62364 -0.30030 0.17338
151 5S -0.07438 0.12883 -0.01286 0.04807 -0.02775
152 6PX -0.04819 0.08371 -0.05104 0.00411 0.00800
153 6PY 0.02807 -0.04819 0.02947 0.00800 0.01336
154 6PZ 0.01850 -0.03204 0.07189 0.06946 -0.04010
155 7PX -0.05304 0.03438 -0.03162 0.22226 -0.11184
156 7PY -0.02686 -0.05304 0.01825 -0.11184 0.09312
157 7PZ 0.02079 -0.03601 -0.03508 -0.12619 0.07286
158 8PX 0.31506 -0.63480 -0.45021 -0.57448 0.27307
159 8PY -0.27101 0.31506 0.25993 0.27307 -0.25916
160 8PZ -0.31397 0.54381 -1.25152 -0.88287 0.50973
161 9PX 0.15491 -0.15559 -0.62929 -0.45681 0.10255
162 9PY 0.02328 0.15491 0.36332 0.10255 -0.33840
163 9PZ -0.19172 0.33207 -0.53737 -0.51857 0.29940
164 10D 0 -0.22541 0.39042 0.23556 -0.43920 0.25357
165 10D+1 -0.22109 0.10563 0.16172 0.03327 0.18559
166 10D-1 -0.14966 -0.22109 -0.09337 0.18559 0.24757
167 10D+2 -0.22234 -0.06859 0.20260 -0.08200 0.15337
168 10D-2 -0.06859 -0.14313 -0.35092 0.24806 -0.08200
169 11D 0 0.18463 -0.31980 -0.51085 0.15034 -0.08680
170 11D+1 0.22721 -0.21971 0.23439 0.24207 -0.28474
171 11D-1 0.04265 0.22721 -0.13533 -0.28474 -0.08672
172 11D+2 0.25478 0.13260 -0.10186 0.11505 -0.17940
173 11D-2 0.13260 0.10167 0.17643 -0.31225 0.11505
174 12D 0 -0.26210 0.45398 -0.58361 -0.91646 0.52912
175 12D+1 -0.05805 -0.16363 0.61463 0.40818 -0.04026
176 12D-1 -0.23066 -0.05805 -0.35486 -0.04026 0.36169
177 12D+2 -0.35303 0.09191 0.25955 0.43277 0.03787
178 12D-2 0.09191 -0.45916 -0.44955 -0.46185 0.43277
179 13F 0 0.09881 -0.17114 0.07700 -0.07438 0.04295
180 13F+1 0.01481 0.12726 -0.17514 -0.15385 0.09636
181 13F-1 0.14436 0.01481 0.10112 0.09636 -0.04258
182 13F+2 -0.02303 0.04100 -0.02222 0.00680 -0.00686
183 13F-2 0.04100 -0.07037 0.03849 -0.01471 0.00680
184 13F+3 -0.02707 -0.01563 0.00000 0.02190 0.03793
185 13F-3 0.25630 -0.44392 0.04260 -0.27958 0.16142
186 14F 0 -0.12884 0.22317 0.04686 0.08938 -0.05160
187 14F+1 0.03054 -0.22245 0.53499 0.54589 -0.28142
188 14F-1 -0.18718 0.03054 -0.30888 -0.28142 0.22093
189 14F+2 0.07755 0.05930 -0.09927 -0.13112 -0.07744
190 14F-2 0.05930 0.00907 0.17195 0.07396 -0.13112
191 14F+3 0.06972 0.04025 0.00000 -0.06026 -0.10437
192 14F-3 -0.29948 0.51871 0.16122 0.41860 -0.24168
193 15G 0 -0.03235 0.05602 0.18177 0.33294 -0.19222
194 15G+1 0.13593 -0.21387 -0.03573 0.04191 -0.02985
195 15G-1 -0.05692 0.13593 0.02063 -0.02985 0.00744
196 15G+2 0.10407 0.08917 -0.17784 -0.13535 0.11411
197 15G-2 0.08917 0.00111 0.30803 0.27039 -0.13535
198 15G+3 0.00589 0.00340 0.00000 0.09103 0.15767
199 15G-3 -0.09205 0.15943 -0.03536 0.05465 -0.03155
200 15G+4 0.10979 -0.09048 -0.06055 0.00723 0.19140
201 15G-4 0.09048 -0.21427 -0.10487 -0.18305 -0.00723
202 4 H 1S -0.12192 -0.21117 -0.18303 0.02537 0.01465
203 2S 0.42197 0.73088 0.62369 0.22224 0.12831
204 3S -1.20629 -2.08935 0.01241 1.05093 0.60675
205 4S -0.20598 -0.35677 1.62364 0.30030 0.17338
206 5S -0.07438 -0.12883 -0.01286 -0.04807 -0.02775
207 6PX 0.04819 0.08371 0.05104 0.00411 -0.00800
208 6PY 0.02807 0.04819 0.02947 -0.00800 0.01336
209 6PZ 0.01850 0.03204 0.07189 -0.06946 -0.04010
210 7PX 0.05304 0.03438 0.03162 0.22226 0.11184
211 7PY -0.02686 0.05304 0.01825 0.11184 0.09312
212 7PZ 0.02079 0.03601 -0.03508 0.12619 0.07286
213 8PX -0.31506 -0.63480 0.45021 -0.57448 -0.27307
214 8PY -0.27101 -0.31506 0.25993 -0.27307 -0.25916
215 8PZ -0.31397 -0.54381 -1.25152 0.88287 0.50973
216 9PX -0.15491 -0.15559 0.62929 -0.45681 -0.10255
217 9PY 0.02328 -0.15491 0.36332 -0.10255 -0.33840
218 9PZ -0.19172 -0.33207 -0.53737 0.51857 0.29940
219 10D 0 -0.22541 -0.39042 0.23556 0.43920 0.25357
220 10D+1 0.22109 0.10563 -0.16172 0.03327 -0.18559
221 10D-1 -0.14966 0.22109 -0.09337 -0.18559 0.24757
222 10D+2 -0.22234 0.06859 0.20260 0.08200 0.15337
223 10D-2 0.06859 -0.14313 0.35092 0.24806 0.08200
224 11D 0 0.18463 0.31980 -0.51085 -0.15034 -0.08680
225 11D+1 -0.22721 -0.21971 -0.23439 0.24207 0.28474
226 11D-1 0.04265 -0.22721 -0.13533 0.28474 -0.08672
227 11D+2 0.25478 -0.13260 -0.10186 -0.11505 -0.17940
228 11D-2 -0.13260 0.10167 -0.17643 -0.31225 -0.11505
229 12D 0 -0.26210 -0.45398 -0.58361 0.91646 0.52912
230 12D+1 0.05805 -0.16363 -0.61463 0.40818 0.04026
231 12D-1 -0.23066 0.05805 -0.35486 0.04026 0.36169
232 12D+2 -0.35303 -0.09191 0.25955 -0.43277 0.03787
233 12D-2 -0.09191 -0.45916 0.44955 -0.46185 -0.43277
234 13F 0 0.09881 0.17114 0.07700 0.07438 0.04295
235 13F+1 -0.01481 0.12726 0.17514 -0.15385 -0.09636
236 13F-1 0.14436 -0.01481 0.10112 -0.09636 -0.04258
237 13F+2 -0.02303 -0.04100 -0.02222 -0.00680 -0.00686
238 13F-2 -0.04100 -0.07037 -0.03849 -0.01471 -0.00680
239 13F+3 0.02707 -0.01563 0.00000 0.02190 -0.03793
240 13F-3 0.25630 0.44392 0.04260 0.27958 0.16142
241 14F 0 -0.12884 -0.22317 0.04686 -0.08938 -0.05160
242 14F+1 -0.03054 -0.22245 -0.53499 0.54589 0.28142
243 14F-1 -0.18718 -0.03054 -0.30888 0.28142 0.22093
244 14F+2 0.07755 -0.05930 -0.09927 0.13112 -0.07744
245 14F-2 -0.05930 0.00907 -0.17195 0.07396 0.13112
246 14F+3 -0.06972 0.04025 0.00000 -0.06026 0.10437
247 14F-3 -0.29948 -0.51871 0.16122 -0.41860 -0.24168
248 15G 0 -0.03235 -0.05602 0.18177 -0.33294 -0.19222
249 15G+1 -0.13593 -0.21387 0.03573 0.04191 0.02985
250 15G-1 -0.05692 -0.13593 0.02063 0.02985 0.00744
251 15G+2 0.10407 -0.08917 -0.17784 0.13535 0.11411
252 15G-2 -0.08917 0.00111 -0.30803 0.27039 0.13535
253 15G+3 -0.00589 0.00340 0.00000 0.09103 -0.15767
254 15G-3 -0.09205 -0.15943 -0.03536 -0.05465 -0.03155
255 15G+4 0.10979 0.09048 -0.06055 -0.00723 0.19140
256 15G-4 -0.09048 -0.21427 0.10487 -0.18305 0.00723
191 192 193 194 195
(A2)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 13.87981 13.98999 13.98999 14.07417 14.11583
1 1 N 1S 0.00000 0.00000 0.00000 -0.00870 0.00000
2 2S 0.00000 0.00000 0.00000 0.13664 0.00000
3 3S 0.00000 0.00000 0.00000 0.58428 0.00000
4 4S 0.00000 0.00000 0.00000 -0.52051 0.00000
5 5S 0.00000 0.00000 0.00000 0.22438 0.00000
6 6S 0.00000 0.00000 0.00000 -0.20028 0.00000
7 7PX 0.00000 0.00000 0.26942 0.00000 -0.05881
8 7PY 0.00000 0.26942 0.00000 0.00000 0.00000
9 7PZ 0.00000 0.00000 0.00000 -0.15436 0.00000
10 8PX 0.00000 0.00000 -1.05496 0.00000 -0.29348
11 8PY 0.00000 -1.05496 0.00000 0.00000 0.00000
12 8PZ 0.00000 0.00000 0.00000 0.05473 0.00000
13 9PX 0.00000 0.00000 2.93623 0.00000 -0.43627
14 9PY 0.00000 2.93623 0.00000 0.00000 0.00000
15 9PZ 0.00000 0.00000 0.00000 0.78449 0.00000
16 10PX 0.00000 0.00000 1.28462 0.00000 2.18711
17 10PY 0.00000 1.28462 0.00000 0.00000 0.00000
18 10PZ 0.00000 0.00000 0.00000 0.83698 0.00000
19 11PX 0.00000 0.00000 -0.08090 0.00000 0.03345
20 11PY 0.00000 -0.08090 0.00000 0.00000 0.00000
21 11PZ 0.00000 0.00000 0.00000 0.10442 0.00000
22 12D 0 0.00000 0.00000 0.00000 -0.00173 0.00000
23 12D+1 0.00000 0.00000 -0.02130 0.00000 -0.11913
24 12D-1 0.00000 -0.02130 0.00000 0.00000 0.00000
25 12D+2 0.00000 0.08302 0.00000 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.08302 0.00000 0.00517
27 13D 0 0.00000 0.00000 0.00000 0.02622 0.00000
28 13D+1 0.00000 0.00000 -0.12290 0.00000 0.21868
29 13D-1 0.00000 -0.12290 0.00000 0.00000 0.00000
30 13D+2 0.00000 0.16314 0.00000 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.16314 0.00000 0.17610
32 14D 0 0.00000 0.00000 0.00000 -0.59747 0.00000
33 14D+1 0.00000 0.00000 -0.39951 0.00000 -0.49886
34 14D-1 0.00000 -0.39951 0.00000 0.00000 0.00000
35 14D+2 0.00000 0.60524 0.00000 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.60524 0.00000 -0.08915
37 15D 0 0.00000 0.00000 0.00000 -0.59154 0.00000
38 15D+1 0.00000 0.00000 0.26720 0.00000 -0.97029
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40 15D+2 0.00000 0.05478 0.00000 0.00000 0.00000
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183 13F-2 -0.05362 -0.12620 0.06941 -0.09615 0.06646
184 13F+3 -0.21992 -0.03569 -0.02061 0.00000 -0.07238
185 13F-3 0.00000 0.02606 -0.04513 0.07074 -0.18713
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191 14F+3 0.35033 -0.39327 -0.22705 0.00000 0.04545
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193 15G 0 0.00000 0.00621 -0.01076 -0.12922 -0.27891
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196 15G+2 0.07973 -0.01130 0.10305 -0.02901 0.04919
197 15G-2 0.04603 0.10305 -0.13029 0.05024 0.01812
198 15G+3 -0.00598 -0.20717 -0.11961 0.00000 -0.03300
199 15G-3 0.00000 -0.00094 0.00162 -0.41805 -0.08198
200 15G+4 -0.15545 0.31449 0.15185 -0.08380 -0.07212
201 15G-4 0.08975 -0.15185 -0.13915 -0.14515 -0.25379
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204 3S 0.00000 0.22877 0.39625 0.37242 1.04521
205 4S 0.00000 0.08311 0.14396 -0.07588 0.21649
206 5S 0.00000 -0.01886 -0.03266 0.03525 -0.06163
207 6PX -0.02675 -0.07017 -0.12687 -0.12702 -0.08864
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238 13F-2 -0.05362 0.12620 0.06941 0.09615 0.06646
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240 13F-3 0.00000 0.02606 0.04513 0.07074 0.18713
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244 14F+2 -0.08844 0.27609 -0.18786 -0.10616 -0.15252
245 14F-2 0.05106 -0.18786 0.05918 -0.18387 -0.12525
246 14F+3 0.35033 0.39327 -0.22705 0.00000 0.04545
247 14F-3 0.00000 -0.02145 -0.03715 -0.00097 -0.24407
248 15G 0 0.00000 0.00621 0.01076 -0.12922 0.27891
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250 15G-1 -0.04618 -0.00190 -0.06562 -0.00346 0.17215
251 15G+2 -0.07973 -0.01130 -0.10305 -0.02901 -0.04919
252 15G-2 0.04603 -0.10305 -0.13029 -0.05024 0.01812
253 15G+3 -0.00598 0.20717 -0.11961 0.00000 -0.03300
254 15G-3 0.00000 -0.00094 -0.00162 -0.41805 0.08198
255 15G+4 0.15545 0.31449 -0.15185 -0.08380 0.07212
256 15G-4 0.08975 0.15185 -0.13915 0.14515 -0.25379
196 197 198 199 200
(E)--V (E)--V (E)--V (A1)--V (A1)--V
Eigenvalues -- 14.11583 14.24801 14.24801 14.42993 14.52891
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31 13D-2 0.00000 -0.28901 0.00000 0.00000 0.00000
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53 17F-2 0.00000 0.52899 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -0.10802 0.14857
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57 18F+1 0.00000 -0.50029 0.00000 0.00000 0.00000
58 18F-1 0.15455 0.00000 -0.50029 0.00000 0.00000
59 18F+2 0.47834 0.00000 -0.87491 0.00000 0.00000
60 18F-2 0.00000 -0.87491 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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66 19G+2 0.12766 0.00000 -0.24580 0.00000 0.00000
67 19G-2 0.00000 -0.24580 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 -0.13335 -0.53678
70 19G+4 -0.04120 0.00000 -0.11786 0.00000 0.00000
71 19G-4 0.00000 0.11786 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 1.01152 0.27473
73 20G+1 0.00000 0.06216 0.00000 0.00000 0.00000
74 20G-1 0.08986 0.00000 0.06216 0.00000 0.00000
75 20G+2 -0.31687 0.00000 0.60879 0.00000 0.00000
76 20G-2 0.00000 0.60879 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 -0.39908 0.63231
79 20G+4 0.32698 0.00000 0.52643 0.00000 0.00000
80 20G-4 0.00000 -0.52643 0.00000 0.00000 0.00000
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82 21H+1 0.00000 0.08332 0.00000 0.00000 0.00000
83 21H-1 -0.39741 0.00000 0.08332 0.00000 0.00000
84 21H+2 -0.12630 0.00000 -0.13731 0.00000 0.00000
85 21H-2 0.00000 -0.13731 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.48850 -0.10048
88 21H+4 0.00042 0.00000 -0.16421 0.00000 0.00000
89 21H-4 0.00000 0.16421 0.00000 0.00000 0.00000
90 21H+5 0.00000 -0.31606 0.00000 0.00000 0.00000
91 21H-5 -0.03131 0.00000 0.31606 0.00000 0.00000
92 2 H 1S -0.13390 0.00000 -0.42287 0.01262 0.19108
93 2S -0.30843 0.00000 0.47212 0.23618 -0.79621
94 3S -1.20691 0.00000 0.39939 0.01428 -1.62179
95 4S -0.24998 0.00000 0.04068 -0.17847 -0.29398
96 5S 0.07117 0.00000 -0.05514 0.00764 -0.01363
97 6PX 0.00000 -0.10877 0.00000 0.00000 0.00000
98 6PY -0.10210 0.00000 -0.32858 0.04359 0.07885
99 6PZ -0.00119 0.00000 0.04941 -0.07312 -0.05820
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101 7PY 0.44435 0.00000 0.44486 -0.23045 0.06462
102 7PZ -0.11128 0.00000 -0.28595 0.02723 -0.03338
103 8PX 0.00000 -0.12097 0.00000 0.00000 0.00000
104 8PY -0.19667 0.00000 -0.56721 -0.40447 0.40881
105 8PZ 0.53999 0.00000 -0.92557 -1.27492 -0.22678
106 9PX 0.00000 0.33977 0.00000 0.00000 0.00000
107 9PY -0.15879 0.00000 0.36940 0.07128 -0.02955
108 9PZ 0.16453 0.00000 -0.18854 -0.06704 -0.05699
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111 10D-1 0.10678 0.00000 0.14032 -0.12105 0.21120
112 10D+2 -0.21963 0.00000 -0.04872 0.00406 -0.06089
113 10D-2 0.00000 -0.23812 0.00000 0.00000 0.00000
114 11D 0 -0.16979 0.00000 -0.32704 -0.71020 -0.14157
115 11D+1 0.00000 0.28826 0.00000 0.00000 0.00000
116 11D-1 -0.21431 0.00000 0.29086 0.58747 -0.23072
117 11D+2 0.32976 0.00000 0.01307 -0.27901 0.05666
118 11D-2 0.00000 0.33854 0.00000 0.00000 0.00000
119 12D 0 0.03210 0.00000 -0.07530 -0.41581 -0.03255
120 12D+1 0.00000 -0.00360 0.00000 0.00000 0.00000
121 12D-1 -0.47981 0.00000 0.39415 0.07919 -0.13805
122 12D+2 -0.53647 0.00000 -0.09928 0.15482 -0.17547
123 12D-2 0.00000 -0.62195 0.00000 0.00000 0.00000
124 13F 0 0.16471 0.00000 -0.05674 0.19663 0.13600
125 13F+1 0.00000 0.14965 0.00000 0.00000 0.00000
126 13F-1 -0.17476 0.00000 0.29421 0.16848 0.00984
127 13F+2 0.11409 0.00000 0.04850 0.18989 0.07734
128 13F-2 0.00000 0.02004 0.00000 0.00000 0.00000
129 13F+3 0.00000 0.39469 0.00000 0.00000 0.00000
130 13F-3 -0.21608 0.00000 -0.12248 0.19298 -0.01332
131 14F 0 -0.27513 0.00000 0.01813 -0.20836 -0.16331
132 14F+1 0.00000 -0.13862 0.00000 0.00000 0.00000
133 14F-1 0.01074 0.00000 0.01919 0.26229 0.01489
134 14F+2 -0.21331 0.00000 0.21413 -0.06977 -0.27055
135 14F-2 0.00000 -0.19458 0.00000 0.00000 0.00000
136 14F+3 0.00000 -0.52339 0.00000 0.00000 0.00000
137 14F-3 0.28183 0.00000 0.13029 -0.10370 0.07071
138 15G 0 -0.32206 0.00000 -0.04908 -0.09339 0.10738
139 15G+1 0.00000 -0.06044 0.00000 0.00000 0.00000
140 15G-1 0.25180 0.00000 -0.05754 0.27484 0.01451
141 15G+2 -0.01028 0.00000 0.15266 0.06511 0.00312
142 15G-2 0.00000 0.15792 0.00000 0.00000 0.00000
143 15G+3 0.00000 -0.15674 0.00000 0.00000 0.00000
144 15G-3 -0.09467 0.00000 -0.33402 0.10029 0.34476
145 15G+4 0.29543 0.00000 0.09633 -0.02644 0.09354
146 15G-4 0.00000 0.28666 0.00000 0.00000 0.00000
147 3 H 1S 0.06695 -0.36622 0.21144 0.01262 0.19108
148 2S 0.15421 0.40886 -0.23606 0.23618 -0.79621
149 3S 0.60345 0.34588 -0.19969 0.01428 -1.62179
150 4S 0.12499 0.03523 -0.02034 -0.17847 -0.29398
151 5S -0.03558 -0.04775 0.02757 0.00764 -0.01363
152 6PX 0.02331 -0.27362 0.09518 0.03775 0.06828
153 6PY -0.06172 0.09518 -0.16372 -0.02179 -0.03942
154 6PZ 0.00059 0.04279 -0.02470 -0.07312 -0.05820
155 7PX -0.19358 0.33391 -0.19217 -0.19958 0.05596
156 7PY 0.10906 -0.19217 0.11202 0.11523 -0.03231
157 7PZ 0.05564 -0.24764 0.14298 0.02723 -0.03338
158 8PX 0.03414 -0.45565 0.19323 -0.35028 0.35404
159 8PY -0.13754 0.19323 -0.23253 0.20224 -0.20440
160 8PZ -0.26999 -0.80157 0.46279 -1.27492 -0.22678
161 9PX 0.00965 0.36199 -0.01283 0.06173 -0.02559
162 9PY -0.14208 -0.01283 0.34718 -0.03564 0.01477
163 9PZ -0.08226 -0.16328 0.09427 -0.06704 -0.05699
164 10D 0 -0.17195 -0.07014 0.04050 0.28686 0.12272
165 10D+1 0.17449 0.04916 -0.15791 -0.10484 0.18291
166 10D-1 0.40900 -0.15791 -0.13318 0.06053 -0.10560
167 10D+2 0.29517 -0.08201 -0.19077 -0.00203 0.03044
168 10D-2 0.29722 -0.09607 -0.08201 0.00352 -0.05273
169 11D 0 0.08490 -0.28323 0.16352 -0.71020 -0.14157
170 11D+1 -0.14762 0.29021 -0.00113 0.50877 -0.19981
171 11D-1 -0.47000 -0.00113 0.28891 -0.29374 0.11536
172 11D+2 -0.19622 0.14093 0.25717 0.13950 -0.02833
173 11D-2 -0.30367 0.09444 0.14093 -0.24163 0.04907
174 12D 0 -0.01605 -0.06521 0.03765 -0.41581 -0.03255
175 12D+1 0.25496 0.29471 -0.17223 0.06858 -0.11955
176 12D-1 -0.03821 -0.17223 0.09583 -0.03959 0.06902
177 12D+2 -0.00273 -0.22633 -0.49128 -0.07741 0.08774
178 12D-2 0.30815 -0.22995 -0.22633 0.13408 -0.15196
179 13F 0 -0.08235 -0.04914 0.02837 0.19663 0.13600
180 13F+1 0.13219 0.25807 -0.06260 0.14591 0.00852
181 13F-1 0.05420 -0.06260 0.18579 -0.08424 -0.00492
182 13F+2 -0.02881 -0.01232 0.02715 -0.09494 -0.03867
183 13F-2 -0.08251 0.04138 -0.01232 0.16445 0.06698
184 13F+3 -0.12537 -0.19735 -0.34181 0.00000 0.00000
185 13F-3 0.10804 -0.10607 0.06124 0.19298 -0.01332
186 14F 0 0.13757 0.01570 -0.00907 -0.20836 -0.16331
187 14F+1 -0.08646 -0.02026 -0.06834 0.22715 0.01289
188 14F-1 -0.13901 -0.06834 -0.09917 -0.13114 -0.00744
189 14F+2 0.05087 -0.17698 -0.09240 0.03488 0.13528
190 14F-2 0.15252 0.11195 -0.17698 -0.06042 -0.23431
191 14F+3 0.07871 0.26169 0.45327 0.00000 0.00000
192 14F-3 -0.14091 0.11283 -0.06514 -0.10370 0.07071
193 15G 0 0.16103 -0.04251 0.02454 -0.09339 0.10738
194 15G+1 -0.17215 -0.05826 -0.00126 0.23802 0.01257
195 15G-1 -0.04636 -0.00126 -0.05971 -0.13742 -0.00726
196 15G+2 0.07492 0.00228 0.15661 -0.03256 -0.00156
197 15G-2 0.04919 0.15398 0.00228 0.05639 0.00270
198 15G+3 -0.05717 0.07837 0.13574 0.00000 0.00000
199 15G-3 0.04733 -0.28927 0.16701 0.10029 0.34476
200 15G+4 0.17052 -0.16584 -0.19091 0.01322 -0.04677
201 15G-4 0.07212 -0.00058 0.16584 0.02290 -0.08101
202 4 H 1S 0.06695 0.36622 0.21144 0.01262 0.19108
203 2S 0.15421 -0.40886 -0.23606 0.23618 -0.79621
204 3S 0.60345 -0.34588 -0.19969 0.01428 -1.62179
205 4S 0.12499 -0.03523 -0.02034 -0.17847 -0.29398
206 5S -0.03558 0.04775 0.02757 0.00764 -0.01363
207 6PX -0.02331 -0.27362 -0.09518 -0.03775 -0.06828
208 6PY -0.06172 -0.09518 -0.16372 -0.02179 -0.03942
209 6PZ 0.00059 -0.04279 -0.02470 -0.07312 -0.05820
210 7PX 0.19358 0.33391 0.19217 0.19958 -0.05596
211 7PY 0.10906 0.19217 0.11202 0.11523 -0.03231
212 7PZ 0.05564 0.24764 0.14298 0.02723 -0.03338
213 8PX -0.03414 -0.45565 -0.19323 0.35028 -0.35404
214 8PY -0.13754 -0.19323 -0.23253 0.20224 -0.20440
215 8PZ -0.26999 0.80157 0.46279 -1.27492 -0.22678
216 9PX -0.00965 0.36199 0.01283 -0.06173 0.02559
217 9PY -0.14208 0.01283 0.34718 -0.03564 0.01477
218 9PZ -0.08226 0.16328 0.09427 -0.06704 -0.05699
219 10D 0 -0.17195 0.07014 0.04050 0.28686 0.12272
220 10D+1 -0.17449 0.04916 0.15791 0.10484 -0.18291
221 10D-1 0.40900 0.15791 -0.13318 0.06053 -0.10560
222 10D+2 0.29517 0.08201 -0.19077 -0.00203 0.03044
223 10D-2 -0.29722 -0.09607 0.08201 -0.00352 0.05273
224 11D 0 0.08490 0.28323 0.16352 -0.71020 -0.14157
225 11D+1 0.14762 0.29021 0.00113 -0.50877 0.19981
226 11D-1 -0.47000 0.00113 0.28891 -0.29374 0.11536
227 11D+2 -0.19622 -0.14093 0.25717 0.13950 -0.02833
228 11D-2 0.30367 0.09444 -0.14093 0.24163 -0.04907
229 12D 0 -0.01605 0.06521 0.03765 -0.41581 -0.03255
230 12D+1 -0.25496 0.29471 0.17223 -0.06858 0.11955
231 12D-1 -0.03821 0.17223 0.09583 -0.03959 0.06902
232 12D+2 -0.00273 0.22633 -0.49128 -0.07741 0.08774
233 12D-2 -0.30815 -0.22995 0.22633 -0.13408 0.15196
234 13F 0 -0.08235 0.04914 0.02837 0.19663 0.13600
235 13F+1 -0.13219 0.25807 0.06260 -0.14591 -0.00852
236 13F-1 0.05420 0.06260 0.18579 -0.08424 -0.00492
237 13F+2 -0.02881 0.01232 0.02715 -0.09494 -0.03867
238 13F-2 0.08251 0.04138 0.01232 -0.16445 -0.06698
239 13F+3 0.12537 -0.19735 0.34181 0.00000 0.00000
240 13F-3 0.10804 0.10607 0.06124 0.19298 -0.01332
241 14F 0 0.13757 -0.01570 -0.00907 -0.20836 -0.16331
242 14F+1 0.08646 -0.02026 0.06834 -0.22715 -0.01289
243 14F-1 -0.13901 0.06834 -0.09917 -0.13114 -0.00744
244 14F+2 0.05087 0.17698 -0.09240 0.03488 0.13528
245 14F-2 -0.15252 0.11195 0.17698 0.06042 0.23431
246 14F+3 -0.07871 0.26169 -0.45327 0.00000 0.00000
247 14F-3 -0.14091 -0.11283 -0.06514 -0.10370 0.07071
248 15G 0 0.16103 0.04251 0.02454 -0.09339 0.10738
249 15G+1 0.17215 -0.05826 0.00126 -0.23802 -0.01257
250 15G-1 -0.04636 0.00126 -0.05971 -0.13742 -0.00726
251 15G+2 0.07492 -0.00228 0.15661 -0.03256 -0.00156
252 15G-2 -0.04919 0.15398 -0.00228 -0.05639 -0.00270
253 15G+3 0.05717 0.07837 -0.13574 0.00000 0.00000
254 15G-3 0.04733 0.28927 0.16701 0.10029 0.34476
255 15G+4 0.17052 0.16584 -0.19091 0.01322 -0.04677
256 15G-4 -0.07212 -0.00058 -0.16584 -0.02290 0.08101
201 202 203 204 205
(E)--V (E)--V (A2)--V (E)--V (E)--V
Eigenvalues -- 14.67409 14.67409 14.74432 14.75686 14.75686
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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 0.10284 0.00000 0.00000 0.18463 0.00000
8 7PY 0.00000 0.10284 0.00000 0.00000 0.18463
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX -0.21004 0.00000 0.00000 -0.33815 0.00000
11 8PY 0.00000 -0.21004 0.00000 0.00000 -0.33815
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.87769 0.00000 0.00000 -0.25849 0.00000
14 9PY 0.00000 0.87769 0.00000 0.00000 -0.25849
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX -1.23255 0.00000 0.00000 -0.81548 0.00000
17 10PY 0.00000 -1.23255 0.00000 0.00000 -0.81548
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX -0.04441 0.00000 0.00000 -0.15681 0.00000
20 11PY 0.00000 -0.04441 0.00000 0.00000 -0.15681
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 0.06926 0.00000 0.00000 0.10178 0.00000
24 12D-1 0.00000 0.06926 0.00000 0.00000 0.10178
25 12D+2 0.00000 0.14348 0.00000 0.00000 -0.01338
26 12D-2 0.14348 0.00000 0.00000 -0.01338 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 -0.08974 0.00000 0.00000 -0.03850 0.00000
29 13D-1 0.00000 -0.08974 0.00000 0.00000 -0.03850
30 13D+2 0.00000 -0.42646 0.00000 0.00000 -0.07315
31 13D-2 -0.42646 0.00000 0.00000 -0.07315 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.04633 0.00000 0.00000 -0.05659 0.00000
34 14D-1 0.00000 0.04633 0.00000 0.00000 -0.05659
35 14D+2 0.00000 3.24110 0.00000 0.00000 0.51583
36 14D-2 3.24110 0.00000 0.00000 0.51583 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.24651 0.00000 0.00000 0.61946 0.00000
39 15D-1 0.00000 0.24651 0.00000 0.00000 0.61946
40 15D+2 0.00000 0.92148 0.00000 0.00000 -0.19838
41 15D-2 0.92148 0.00000 0.00000 -0.19838 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.10325 0.00000 0.00000 -0.29303 0.00000
44 16F-1 0.00000 0.10325 0.00000 0.00000 -0.29303
45 16F+2 0.00000 0.04997 0.00000 0.00000 0.07542
46 16F-2 0.04997 0.00000 0.00000 0.07542 0.00000
47 16F+3 0.00000 0.00000 0.18620 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 -0.21775 0.00000 0.00000 0.14430 0.00000
51 17F-1 0.00000 -0.21775 0.00000 0.00000 0.14430
52 17F+2 0.00000 -0.68858 0.00000 0.00000 0.13945
53 17F-2 -0.68858 0.00000 0.00000 0.13945 0.00000
54 17F+3 0.00000 0.00000 0.17619 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.04735 0.00000 0.00000 -0.80138 0.00000
58 18F-1 0.00000 0.04735 0.00000 0.00000 -0.80138
59 18F+2 0.00000 -0.60742 0.00000 0.00000 0.25753
60 18F-2 -0.60742 0.00000 0.00000 0.25753 0.00000
61 18F+3 0.00000 0.00000 1.35616 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.09298 0.00000 0.00000 -0.79608 0.00000
65 19G-1 0.00000 0.09298 0.00000 0.00000 -0.79608
66 19G+2 0.00000 0.05923 0.00000 0.00000 -0.02228
67 19G-2 0.05923 0.00000 0.00000 -0.02228 0.00000
68 19G+3 0.00000 0.00000 0.14540 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 -0.44790 0.00000 0.00000 0.28054
71 19G-4 0.44790 0.00000 0.00000 -0.28054 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 -0.07461 0.00000 0.00000 1.06929 0.00000
74 20G-1 0.00000 -0.07461 0.00000 0.00000 1.06929
75 20G+2 0.00000 -0.16821 0.00000 0.00000 0.09008
76 20G-2 -0.16821 0.00000 0.00000 0.09008 0.00000
77 20G+3 0.00000 0.00000 -0.27082 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 1.63028 0.00000 0.00000 -0.08488
80 20G-4 -1.63028 0.00000 0.00000 0.08488 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.02685 0.00000 0.00000 -0.14515 0.00000
83 21H-1 0.00000 0.02685 0.00000 0.00000 -0.14515
84 21H+2 0.00000 -0.09842 0.00000 0.00000 -0.56816
85 21H-2 -0.09842 0.00000 0.00000 -0.56816 0.00000
86 21H+3 0.00000 0.00000 0.03989 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 -0.51231 0.00000 0.00000 0.01480
89 21H-4 0.51231 0.00000 0.00000 -0.01480 0.00000
90 21H+5 0.22629 0.00000 0.00000 0.19214 0.00000
91 21H-5 0.00000 -0.22629 0.00000 0.00000 -0.19214
92 2 H 1S 0.00000 0.05359 0.00000 0.00000 0.17664
93 2S 0.00000 -0.96685 0.00000 0.00000 -1.17134
94 3S 0.00000 3.66410 0.00000 0.00000 1.75533
95 4S 0.00000 0.88180 0.00000 0.00000 0.36098
96 5S 0.00000 -0.00676 0.00000 0.00000 0.06349
97 6PX 0.02690 0.00000 0.19897 -0.02854 0.00000
98 6PY 0.00000 -0.00979 0.00000 0.00000 -0.03916
99 6PZ 0.00000 0.12427 0.00000 0.00000 -0.01615
100 7PX -0.16717 0.00000 -0.07885 0.00192 0.00000
101 7PY 0.00000 0.35228 0.00000 0.00000 0.40719
102 7PZ 0.00000 -0.23415 0.00000 0.00000 -0.19470
103 8PX -2.15087 0.00000 0.67967 -0.03605 0.00000
104 8PY 0.00000 -1.79293 0.00000 0.00000 -1.00987
105 8PZ 0.00000 0.57211 0.00000 0.00000 0.07378
106 9PX -0.35147 0.00000 -0.00604 0.22458 0.00000
107 9PY 0.00000 -0.54430 0.00000 0.00000 -0.28704
108 9PZ 0.00000 0.09235 0.00000 0.00000 -0.02736
109 10D 0 0.00000 0.52290 0.00000 0.00000 -0.33719
110 10D+1 0.39663 0.00000 -0.19103 0.18024 0.00000
111 10D-1 0.00000 0.13755 0.00000 0.00000 0.12879
112 10D+2 0.00000 -0.08507 0.00000 0.00000 0.21028
113 10D-2 -0.32098 0.00000 -0.40687 -0.03277 0.00000
114 11D 0 0.00000 -0.74508 0.00000 0.00000 0.50970
115 11D+1 -1.01732 0.00000 0.21654 -0.20095 0.00000
116 11D-1 0.00000 -0.32446 0.00000 0.00000 0.01168
117 11D+2 0.00000 0.00193 0.00000 0.00000 -0.47978
118 11D-2 1.25954 0.00000 0.13978 0.10688 0.00000
119 12D 0 0.00000 -0.16180 0.00000 0.00000 -0.01171
120 12D+1 -0.24048 0.00000 0.38843 -0.16236 0.00000
121 12D-1 0.00000 0.09221 0.00000 0.00000 0.00243
122 12D+2 0.00000 -0.08745 0.00000 0.00000 -0.14556
123 12D-2 0.81550 0.00000 0.03084 -0.11351 0.00000
124 13F 0 0.00000 -0.11858 0.00000 0.00000 0.08809
125 13F+1 -0.10038 0.00000 -0.23533 -0.06642 0.00000
126 13F-1 0.00000 -0.07937 0.00000 0.00000 0.05589
127 13F+2 0.00000 -0.19205 0.00000 0.00000 0.06735
128 13F-2 0.23506 0.00000 0.15145 -0.16079 0.00000
129 13F+3 0.09273 0.00000 -0.34567 0.09123 0.00000
130 13F-3 0.00000 0.16711 0.00000 0.00000 0.25455
131 14F 0 0.00000 -0.03576 0.00000 0.00000 0.24327
132 14F+1 -0.10972 0.00000 0.33228 0.01015 0.00000
133 14F-1 0.00000 0.28372 0.00000 0.00000 -0.29312
134 14F+2 0.00000 0.28678 0.00000 0.00000 0.01891
135 14F-2 0.36030 0.00000 -0.30387 0.23083 0.00000
136 14F+3 0.58609 0.00000 0.36654 -0.10449 0.00000
137 14F-3 0.00000 -0.42332 0.00000 0.00000 0.04516
138 15G 0 0.00000 0.12560 0.00000 0.00000 0.01475
139 15G+1 -0.22343 0.00000 -0.02888 -0.23160 0.00000
140 15G-1 0.00000 -0.10503 0.00000 0.00000 -0.19508
141 15G+2 0.00000 0.13784 0.00000 0.00000 -0.03323
142 15G-2 0.17371 0.00000 -0.31507 0.18275 0.00000
143 15G+3 0.03777 0.00000 -0.19226 -0.00941 0.00000
144 15G-3 0.00000 -0.24721 0.00000 0.00000 -0.16544
145 15G+4 0.00000 -0.39308 0.00000 0.00000 0.00175
146 15G-4 -0.33700 0.00000 -0.16662 0.11224 0.00000
147 3 H 1S 0.04641 -0.02680 0.00000 0.15298 -0.08832
148 2S -0.83731 0.48342 0.00000 -1.01441 0.58567
149 3S 3.17320 -1.83205 0.00000 1.52016 -0.87766
150 4S 0.76366 -0.44090 0.00000 0.31262 -0.18049
151 5S -0.00585 0.00338 0.00000 0.05498 -0.03174
152 6PX -0.00061 0.01589 -0.09948 -0.03650 0.00460
153 6PY 0.01589 0.01773 -0.17231 0.00460 -0.03119
154 6PZ 0.10762 -0.06214 0.00000 -0.01398 0.00807
155 7PX 0.22242 -0.22493 0.03943 0.30587 -0.17549
156 7PY -0.22493 -0.03731 0.06829 -0.17549 0.10324
157 7PZ -0.20278 0.11707 0.00000 -0.16862 0.09735
158 8PX -1.88242 -0.15499 -0.33983 -0.76642 0.42167
159 8PY -0.15499 -2.06138 -0.58861 0.42167 -0.27951
160 8PZ 0.49546 -0.28605 0.00000 0.06389 -0.03689
161 9PX -0.49610 0.08350 0.00302 -0.15914 0.22154
162 9PY 0.08350 -0.39968 0.00523 0.22154 0.09667
163 9PZ 0.07998 -0.04617 0.00000 -0.02370 0.01368
164 10D 0 0.45284 -0.26145 0.00000 -0.29201 0.16859
165 10D+1 0.20232 0.11218 0.09552 0.14166 0.02228
166 10D-1 0.11218 0.33186 0.16544 0.02228 0.16738
167 10D+2 -0.10215 -0.26200 0.35236 -0.10525 0.02799
168 10D-2 -0.14404 -0.10215 0.20344 0.14952 -0.10525
169 11D 0 -0.64526 0.37254 0.00000 0.44141 -0.25485
170 11D+1 -0.49767 -0.30002 -0.10827 -0.04148 -0.09207
171 11D-1 -0.30002 -0.84411 -0.18753 -0.09207 -0.14779
172 11D+2 0.54456 0.94514 -0.12106 0.25403 -0.03979
173 11D-2 0.31633 0.54456 -0.06989 -0.33312 0.25403
174 12D 0 -0.14013 0.08090 0.00000 -0.01014 0.00585
175 12D+1 0.00903 -0.14406 -0.19422 -0.03877 -0.07136
176 12D-1 -0.14406 -0.15731 -0.33639 -0.07136 -0.12116
177 12D+2 0.39099 0.58977 -0.02671 0.01388 -0.12152
178 12D-2 0.13829 0.39099 -0.01542 -0.13755 0.01388
179 13F 0 -0.10269 0.05929 0.00000 0.07629 -0.04405
180 13F+1 -0.08462 -0.00910 0.11767 0.02531 -0.05296
181 13F-1 -0.00910 -0.09513 0.20380 -0.05296 -0.03584
182 13F+2 0.18495 0.12828 -0.13116 -0.09879 -0.10376
183 13F-2 -0.08528 0.18495 -0.07572 0.01032 -0.09879
184 13F+3 -0.04637 -0.08031 -0.34567 -0.04562 -0.07901
185 13F-3 0.14473 -0.08356 0.00000 0.22045 -0.12727
186 14F 0 -0.03097 0.01788 0.00000 0.21068 -0.12164
187 14F+1 0.18536 -0.17037 -0.16614 -0.21730 0.13132
188 14F-1 -0.17037 -0.01136 -0.28777 0.13132 -0.06566
189 14F+2 0.03183 0.34192 0.26316 0.09176 0.17785
190 14F-2 0.30516 0.03183 0.15193 0.07189 0.09176
191 14F+3 -0.29304 -0.50757 0.36654 0.05225 0.09049
192 14F-3 -0.36661 0.21166 0.00000 0.03911 -0.02258
193 15G 0 0.10877 -0.06280 0.00000 0.01277 -0.00737
194 15G+1 -0.13463 -0.05127 0.01444 -0.20421 -0.01582
195 15G-1 -0.05127 -0.19383 0.02501 -0.01582 -0.22247
196 15G+2 0.01553 0.16475 0.27286 0.09352 0.12875
197 15G-2 0.14681 0.01553 0.15754 0.02076 0.09352
198 15G+3 -0.01889 -0.03271 -0.19226 0.00470 0.00815
199 15G-3 -0.21409 0.12360 0.00000 -0.14327 0.08272
200 15G+4 0.31614 0.15448 -0.14430 -0.04936 -0.08374
201 15G-4 0.21056 -0.31614 0.08331 0.02675 0.04936
202 4 H 1S -0.04641 -0.02680 0.00000 -0.15298 -0.08832
203 2S 0.83731 0.48342 0.00000 1.01441 0.58567
204 3S -3.17320 -1.83205 0.00000 -1.52016 -0.87766
205 4S -0.76366 -0.44090 0.00000 -0.31262 -0.18049
206 5S 0.00585 0.00338 0.00000 -0.05498 -0.03174
207 6PX -0.00061 -0.01589 -0.09948 -0.03650 -0.00460
208 6PY -0.01589 0.01773 0.17231 -0.00460 -0.03119
209 6PZ -0.10762 -0.06214 0.00000 0.01398 0.00807
210 7PX 0.22242 0.22493 0.03943 0.30587 0.17549
211 7PY 0.22493 -0.03731 -0.06829 0.17549 0.10324
212 7PZ 0.20278 0.11707 0.00000 0.16862 0.09735
213 8PX -1.88242 0.15499 -0.33983 -0.76642 -0.42167
214 8PY 0.15499 -2.06138 0.58861 -0.42167 -0.27951
215 8PZ -0.49546 -0.28605 0.00000 -0.06389 -0.03689
216 9PX -0.49610 -0.08350 0.00302 -0.15914 -0.22154
217 9PY -0.08350 -0.39968 -0.00523 -0.22154 0.09667
218 9PZ -0.07998 -0.04617 0.00000 0.02370 0.01368
219 10D 0 -0.45284 -0.26145 0.00000 0.29201 0.16859
220 10D+1 0.20232 -0.11218 0.09552 0.14166 -0.02228
221 10D-1 -0.11218 0.33186 -0.16544 -0.02228 0.16738
222 10D+2 0.10215 -0.26200 -0.35236 0.10525 0.02799
223 10D-2 -0.14404 0.10215 0.20344 0.14952 0.10525
224 11D 0 0.64526 0.37254 0.00000 -0.44141 -0.25485
225 11D+1 -0.49767 0.30002 -0.10827 -0.04148 0.09207
226 11D-1 0.30002 -0.84411 0.18753 0.09207 -0.14779
227 11D+2 -0.54456 0.94514 0.12106 -0.25403 -0.03979
228 11D-2 0.31633 -0.54456 -0.06989 -0.33312 -0.25403
229 12D 0 0.14013 0.08090 0.00000 0.01014 0.00585
230 12D+1 0.00903 0.14406 -0.19422 -0.03877 0.07136
231 12D-1 0.14406 -0.15731 0.33639 0.07136 -0.12116
232 12D+2 -0.39099 0.58977 0.02671 -0.01388 -0.12152
233 12D-2 0.13829 -0.39099 -0.01542 -0.13755 -0.01388
234 13F 0 0.10269 0.05929 0.00000 -0.07629 -0.04405
235 13F+1 -0.08462 0.00910 0.11767 0.02531 0.05296
236 13F-1 0.00910 -0.09513 -0.20380 0.05296 -0.03584
237 13F+2 -0.18495 0.12828 0.13116 0.09879 -0.10376
238 13F-2 -0.08528 -0.18495 -0.07572 0.01032 0.09879
239 13F+3 -0.04637 0.08031 -0.34567 -0.04562 0.07901
240 13F-3 -0.14473 -0.08356 0.00000 -0.22045 -0.12727
241 14F 0 0.03097 0.01788 0.00000 -0.21068 -0.12164
242 14F+1 0.18536 0.17037 -0.16614 -0.21730 -0.13132
243 14F-1 0.17037 -0.01136 0.28777 -0.13132 -0.06566
244 14F+2 -0.03183 0.34192 -0.26316 -0.09176 0.17785
245 14F-2 0.30516 -0.03183 0.15193 0.07189 -0.09176
246 14F+3 -0.29304 0.50757 0.36654 0.05225 -0.09049
247 14F-3 0.36661 0.21166 0.00000 -0.03911 -0.02258
248 15G 0 -0.10877 -0.06280 0.00000 -0.01277 -0.00737
249 15G+1 -0.13463 0.05127 0.01444 -0.20421 0.01582
250 15G-1 0.05127 -0.19383 -0.02501 0.01582 -0.22247
251 15G+2 -0.01553 0.16475 -0.27286 -0.09352 0.12875
252 15G-2 0.14681 -0.01553 0.15754 0.02076 -0.09352
253 15G+3 -0.01889 0.03271 -0.19226 0.00470 -0.00815
254 15G-3 0.21409 0.12360 0.00000 0.14327 0.08272
255 15G+4 -0.31614 0.15448 0.14430 0.04936 -0.08374
256 15G-4 0.21056 0.31614 0.08331 0.02675 -0.04936
206 207 208 209 210
(E)--V (E)--V (A2)--V (A1)--V (E)--V
Eigenvalues -- 14.95047 14.95047 14.97234 14.97247 15.02829
1 1 N 1S 0.00000 0.00000 0.00000 0.05033 0.00000
2 2S 0.00000 0.00000 0.00000 -0.45984 0.00000
3 3S 0.00000 0.00000 0.00000 -2.39095 0.00000
4 4S 0.00000 0.00000 0.00000 0.79843 0.00000
5 5S 0.00000 0.00000 0.00000 20.15979 0.00000
6 6S 0.00000 0.00000 0.00000 4.52960 0.00000
7 7PX 0.00000 0.10089 0.00000 0.00000 0.00000
8 7PY 0.10089 0.00000 0.00000 0.00000 0.41508
9 7PZ 0.00000 0.00000 0.00000 -0.04548 0.00000
10 8PX 0.00000 -0.22982 0.00000 0.00000 0.00000
11 8PY -0.22982 0.00000 0.00000 0.00000 -1.50443
12 8PZ 0.00000 0.00000 0.00000 0.36612 0.00000
13 9PX 0.00000 -0.80532 0.00000 0.00000 0.00000
14 9PY -0.80532 0.00000 0.00000 0.00000 5.29001
15 9PZ 0.00000 0.00000 0.00000 -3.01388 0.00000
16 10PX 0.00000 -0.39261 0.00000 0.00000 0.00000
17 10PY -0.39261 0.00000 0.00000 0.00000 2.59065
18 10PZ 0.00000 0.00000 0.00000 -3.79494 0.00000
19 11PX 0.00000 -0.07201 0.00000 0.00000 0.00000
20 11PY -0.07201 0.00000 0.00000 0.00000 0.04438
21 11PZ 0.00000 0.00000 0.00000 -0.26006 0.00000
22 12D 0 0.00000 0.00000 0.00000 0.04600 0.00000
23 12D+1 0.00000 0.01026 0.00000 0.00000 0.00000
24 12D-1 0.01026 0.00000 0.00000 0.00000 0.11960
25 12D+2 0.13539 0.00000 0.00000 0.00000 -0.25308
26 12D-2 0.00000 0.13539 0.00000 0.00000 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.08668 0.00000
28 13D+1 0.00000 0.14405 0.00000 0.00000 0.00000
29 13D-1 0.14405 0.00000 0.00000 0.00000 -0.02004
30 13D+2 -0.38187 0.00000 0.00000 0.00000 0.16368
31 13D-2 0.00000 -0.38187 0.00000 0.00000 0.00000
32 14D 0 0.00000 0.00000 0.00000 -2.87276 0.00000
33 14D+1 0.00000 -1.87112 0.00000 0.00000 0.00000
34 14D-1 -1.87112 0.00000 0.00000 0.00000 -0.89175
35 14D+2 4.41034 0.00000 0.00000 0.00000 -1.21422
36 14D-2 0.00000 4.41034 0.00000 0.00000 0.00000
37 15D 0 0.00000 0.00000 0.00000 -0.68872 0.00000
38 15D+1 0.00000 -0.35346 0.00000 0.00000 0.00000
39 15D-1 -0.35346 0.00000 0.00000 0.00000 -0.22149
40 15D+2 0.34884 0.00000 0.00000 0.00000 -0.88896
41 15D-2 0.00000 0.34884 0.00000 0.00000 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.16444 0.00000
43 16F+1 0.00000 -0.16140 0.00000 0.00000 0.00000
44 16F-1 -0.16140 0.00000 0.00000 0.00000 -0.44573
45 16F+2 -0.02330 0.00000 0.00000 0.00000 0.54014
46 16F-2 0.00000 -0.02330 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 -0.22711 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.37247 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.15512 0.00000
50 17F+1 0.00000 0.73027 0.00000 0.00000 0.00000
51 17F-1 0.73027 0.00000 0.00000 0.00000 -0.00679
52 17F+2 -0.12983 0.00000 0.00000 0.00000 -0.25314
53 17F-2 0.00000 -0.12983 0.00000 0.00000 0.00000
54 17F+3 0.00000 0.00000 1.57045 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 -0.79231 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.72290 0.00000
57 18F+1 0.00000 0.35008 0.00000 0.00000 0.00000
58 18F-1 0.35008 0.00000 0.00000 0.00000 -0.44953
59 18F+2 0.48440 0.00000 0.00000 0.00000 0.30181
60 18F-2 0.00000 0.48440 0.00000 0.00000 0.00000
61 18F+3 0.00000 0.00000 2.63853 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 -0.20380 0.00000
63 19G 0 0.00000 0.00000 0.00000 -0.05821 0.00000
64 19G+1 0.00000 -0.05573 0.00000 0.00000 0.00000
65 19G-1 -0.05573 0.00000 0.00000 0.00000 0.39680
66 19G+2 0.50528 0.00000 0.00000 0.00000 -0.06096
67 19G-2 0.00000 0.50528 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.60712 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.25944 0.00000
70 19G+4 -0.27942 0.00000 0.00000 0.00000 -0.17053
71 19G-4 0.00000 0.27942 0.00000 0.00000 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.16453 0.00000
73 20G+1 0.00000 0.47504 0.00000 0.00000 0.00000
74 20G-1 0.47504 0.00000 0.00000 0.00000 -0.43966
75 20G+2 -1.43278 0.00000 0.00000 0.00000 -0.02454
76 20G-2 0.00000 -1.43278 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 -1.68126 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 -0.78024 0.00000
79 20G+4 0.85833 0.00000 0.00000 0.00000 0.63415
80 20G-4 0.00000 -0.85833 0.00000 0.00000 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.23563 0.00000
82 21H+1 0.00000 -0.18446 0.00000 0.00000 0.00000
83 21H-1 -0.18446 0.00000 0.00000 0.00000 0.30704
84 21H+2 0.41903 0.00000 0.00000 0.00000 0.10060
85 21H-2 0.00000 0.41903 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.46964 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.25624 0.00000
88 21H+4 -0.44717 0.00000 0.00000 0.00000 0.21063
89 21H-4 0.00000 0.44717 0.00000 0.00000 0.00000
90 21H+5 0.00000 0.21291 0.00000 0.00000 0.00000
91 21H-5 -0.21291 0.00000 0.00000 0.00000 0.12915
92 2 H 1S -0.05499 0.00000 0.00000 0.19845 0.25701
93 2S -0.86836 0.00000 0.00000 1.07835 0.14469
94 3S 2.64406 0.00000 0.00000 -7.90758 -4.90882
95 4S 0.79930 0.00000 0.00000 -2.18384 -1.53062
96 5S 0.02156 0.00000 0.00000 -0.04925 0.11891
97 6PX 0.00000 -0.08805 -0.07239 0.00000 0.00000
98 6PY -0.06281 0.00000 0.00000 0.09894 0.19905
99 6PZ 0.05036 0.00000 0.00000 0.00540 -0.10972
100 7PX 0.00000 -0.03808 0.06748 0.00000 0.00000
101 7PY 0.41112 0.00000 0.00000 -0.56766 -0.35150
102 7PZ -0.13210 0.00000 0.00000 0.18393 0.14996
103 8PX 0.00000 -1.82825 2.55829 0.00000 0.00000
104 8PY -1.05131 0.00000 0.00000 4.08905 2.61814
105 8PZ 2.63105 0.00000 0.00000 -2.25664 -1.71349
106 9PX 0.00000 -0.22040 0.30386 0.00000 0.00000
107 9PY -0.54011 0.00000 0.00000 1.21493 0.74130
108 9PZ 0.44305 0.00000 0.00000 -0.46315 -0.51300
109 10D 0 -0.49476 0.00000 0.00000 -0.12953 0.00666
110 10D+1 0.00000 0.65145 -0.26405 0.00000 0.00000
111 10D-1 0.32180 0.00000 0.00000 -0.63335 0.02320
112 10D+2 0.04844 0.00000 0.00000 -0.14793 -0.25618
113 10D-2 0.00000 -0.00349 0.67842 0.00000 0.00000
114 11D 0 0.97538 0.00000 0.00000 0.18066 -0.18350
115 11D+1 0.00000 -1.37043 0.45002 0.00000 0.00000
116 11D-1 -1.17742 0.00000 0.00000 1.29029 0.39468
117 11D+2 0.12749 0.00000 0.00000 0.55427 0.66263
118 11D-2 0.00000 0.82711 -1.60325 0.00000 0.00000
119 12D 0 0.30576 0.00000 0.00000 0.11660 -0.07134
120 12D+1 0.00000 -0.36001 0.58227 0.00000 0.00000
121 12D-1 -0.77849 0.00000 0.00000 0.52894 0.48168
122 12D+2 -0.10911 0.00000 0.00000 0.29283 0.29542
123 12D-2 0.00000 0.67115 -0.59252 0.00000 0.00000
124 13F 0 -0.16270 0.00000 0.00000 -0.04425 0.03783
125 13F+1 0.00000 0.09503 -0.21163 0.00000 0.00000
126 13F-1 -0.04779 0.00000 0.00000 -0.10125 0.16915
127 13F+2 -0.12790 0.00000 0.00000 0.19389 0.15462
128 13F-2 0.00000 0.22292 0.12803 0.00000 0.00000
129 13F+3 0.00000 0.13577 -0.19601 0.00000 0.00000
130 13F-3 -0.09102 0.00000 0.00000 -0.14600 -0.13631
131 14F 0 0.06229 0.00000 0.00000 0.15798 -0.17871
132 14F+1 0.00000 -0.21173 0.05913 0.00000 0.00000
133 14F-1 -0.61954 0.00000 0.00000 0.22285 0.13498
134 14F+2 -0.21155 0.00000 0.00000 0.09860 -0.00342
135 14F-2 0.00000 0.69807 -0.41835 0.00000 0.00000
136 14F+3 0.00000 0.27345 -0.45305 0.00000 0.00000
137 14F-3 -0.12037 0.00000 0.00000 0.23542 -0.05724
138 15G 0 -0.14896 0.00000 0.00000 -0.13151 0.00951
139 15G+1 0.00000 0.29193 -0.06990 0.00000 0.00000
140 15G-1 -0.28990 0.00000 0.00000 0.12007 0.19056
141 15G+2 -0.14564 0.00000 0.00000 0.04240 0.15269
142 15G-2 0.00000 -0.00897 0.02565 0.00000 0.00000
143 15G+3 0.00000 0.34325 -0.16342 0.00000 0.00000
144 15G-3 0.03065 0.00000 0.00000 0.08468 0.03318
145 15G+4 -0.04312 0.00000 0.00000 0.33182 0.10381
146 15G-4 0.00000 0.12841 0.22944 0.00000 0.00000
147 3 H 1S 0.02750 -0.04762 0.00000 0.19845 -0.12850
148 2S 0.43418 -0.75202 0.00000 1.07835 -0.07235
149 3S -1.32203 2.28983 0.00000 -7.90758 2.45441
150 4S -0.39965 0.69221 0.00000 -2.18384 0.76531
151 5S -0.01078 0.01867 0.00000 -0.04925 -0.05946
152 6PX -0.01093 -0.06912 0.03620 0.08569 -0.10921
153 6PY -0.08174 -0.01093 0.06269 -0.04947 0.00988
154 6PZ -0.02518 0.04362 0.00000 0.00540 0.05486
155 7PX -0.19451 0.29882 -0.03374 -0.49160 0.19179
156 7PY 0.07422 -0.19451 -0.05844 0.28383 -0.01932
157 7PZ 0.06605 -0.11440 0.00000 0.18393 -0.07498
158 8PX -0.33642 -1.24554 -1.27915 3.54122 -1.35858
159 8PY -1.63401 -0.33642 -2.21555 -2.04452 0.26501
160 8PZ -1.31552 2.27855 0.00000 -2.25664 0.85674
161 9PX 0.13844 -0.46018 -0.15193 1.05216 -0.24521
162 9PY -0.30033 0.13844 -0.26315 -0.60747 0.31658
163 9PZ -0.22153 0.38370 0.00000 -0.46315 0.25650
164 10D 0 0.24738 -0.42848 0.00000 -0.12953 -0.00333
165 10D+1 0.14274 0.40422 0.13202 -0.54850 0.14308
166 10D-1 0.56904 0.14274 0.22867 0.31668 0.27103
167 10D+2 0.00949 -0.02249 -0.58752 0.07397 -0.34032
168 10D-2 -0.02249 0.03545 -0.33921 -0.12811 -0.04858
169 11D 0 -0.48769 0.84470 0.00000 0.18066 0.09175
170 11D+1 -0.08358 -1.22567 -0.22501 1.11743 -0.38172
171 11D-1 -1.32218 -0.08358 -0.38973 -0.64515 -0.26648
172 11D+2 0.65220 0.30294 1.38845 -0.27714 0.55365
173 11D-2 0.30294 0.30239 0.80162 0.48001 -0.06292
174 12D 0 -0.15288 0.26479 0.00000 0.11660 0.03567
175 12D+1 0.18121 -0.67387 -0.29113 0.45808 -0.26714
176 12D-1 -0.46463 0.18121 -0.50426 -0.26447 0.01898
177 12D+2 0.47608 0.33786 0.51314 -0.14642 0.03848
178 12D-2 0.33786 0.08596 0.29626 0.25360 -0.14835
179 13F 0 0.08135 -0.14090 0.00000 -0.04425 -0.01892
180 13F+1 0.06184 -0.01209 0.10582 -0.08769 -0.06649
181 13F-1 0.05932 0.06184 0.18328 0.05063 0.05398
182 13F+2 0.13521 0.15191 -0.11088 -0.09694 -0.02836
183 13F-2 0.15191 -0.04019 -0.06402 0.16791 -0.10564
184 13F+3 -0.11758 -0.06789 -0.19601 0.00000 0.09694
185 13F-3 0.04551 -0.07882 0.00000 -0.14600 0.06816
186 14F 0 -0.03114 0.05394 0.00000 0.15798 0.08935
187 14F+1 0.17659 -0.51759 -0.02957 0.19300 -0.14746
188 14F-1 -0.31368 0.17659 -0.05121 -0.11143 -0.12043
189 14F+2 0.47066 0.39387 0.36230 -0.04930 0.20989
190 14F-2 0.39387 0.01586 0.20918 0.08539 0.12315
191 14F+3 -0.23681 -0.13672 -0.45305 0.00000 -0.09380
192 14F-3 0.06019 -0.10425 0.00000 0.23542 0.02862
193 15G 0 0.07448 -0.12900 0.00000 -0.13151 -0.00476
194 15G+1 0.25194 -0.14444 0.03495 0.10399 -0.11215
195 15G-1 0.14647 0.25194 0.06054 -0.06004 -0.00370
196 15G+2 -0.04314 0.05918 -0.02221 -0.02120 0.30711
197 15G-2 0.05918 -0.11147 -0.01283 0.03672 0.08915
198 15G+3 -0.29726 -0.17162 -0.16342 0.00000 0.00407
199 15G-3 -0.01533 0.02655 0.00000 0.08468 -0.01659
200 15G+4 -0.10709 -0.03693 0.19870 -0.16591 -0.13293
201 15G-4 0.03693 0.06445 -0.11472 -0.28737 0.13669
202 4 H 1S 0.02750 0.04762 0.00000 0.19845 -0.12850
203 2S 0.43418 0.75202 0.00000 1.07835 -0.07235
204 3S -1.32203 -2.28983 0.00000 -7.90758 2.45441
205 4S -0.39965 -0.69221 0.00000 -2.18384 0.76531
206 5S -0.01078 -0.01867 0.00000 -0.04925 -0.05946
207 6PX 0.01093 -0.06912 0.03620 -0.08569 0.10921
208 6PY -0.08174 0.01093 -0.06269 -0.04947 0.00988
209 6PZ -0.02518 -0.04362 0.00000 0.00540 0.05486
210 7PX 0.19451 0.29882 -0.03374 0.49160 -0.19179
211 7PY 0.07422 0.19451 0.05844 0.28383 -0.01932
212 7PZ 0.06605 0.11440 0.00000 0.18393 -0.07498
213 8PX 0.33642 -1.24554 -1.27915 -3.54122 1.35858
214 8PY -1.63401 0.33642 2.21555 -2.04452 0.26501
215 8PZ -1.31552 -2.27855 0.00000 -2.25664 0.85674
216 9PX -0.13844 -0.46018 -0.15193 -1.05216 0.24521
217 9PY -0.30033 -0.13844 0.26315 -0.60747 0.31658
218 9PZ -0.22153 -0.38370 0.00000 -0.46315 0.25650
219 10D 0 0.24738 0.42848 0.00000 -0.12953 -0.00333
220 10D+1 -0.14274 0.40422 0.13202 0.54850 -0.14308
221 10D-1 0.56904 -0.14274 -0.22867 0.31668 0.27103
222 10D+2 0.00949 0.02249 0.58752 0.07397 -0.34032
223 10D-2 0.02249 0.03545 -0.33921 0.12811 0.04858
224 11D 0 -0.48769 -0.84470 0.00000 0.18066 0.09175
225 11D+1 0.08358 -1.22567 -0.22501 -1.11743 0.38172
226 11D-1 -1.32218 0.08358 0.38973 -0.64515 -0.26648
227 11D+2 0.65220 -0.30294 -1.38845 -0.27714 0.55365
228 11D-2 -0.30294 0.30239 0.80162 -0.48001 0.06292
229 12D 0 -0.15288 -0.26479 0.00000 0.11660 0.03567
230 12D+1 -0.18121 -0.67387 -0.29113 -0.45808 0.26714
231 12D-1 -0.46463 -0.18121 0.50426 -0.26447 0.01898
232 12D+2 0.47608 -0.33786 -0.51314 -0.14642 0.03848
233 12D-2 -0.33786 0.08596 0.29626 -0.25360 0.14835
234 13F 0 0.08135 0.14090 0.00000 -0.04425 -0.01892
235 13F+1 -0.06184 -0.01209 0.10582 0.08769 0.06649
236 13F-1 0.05932 -0.06184 -0.18328 0.05063 0.05398
237 13F+2 0.13521 -0.15191 0.11088 -0.09694 -0.02836
238 13F-2 -0.15191 -0.04019 -0.06402 -0.16791 0.10564
239 13F+3 0.11758 -0.06789 -0.19601 0.00000 -0.09694
240 13F-3 0.04551 0.07882 0.00000 -0.14600 0.06816
241 14F 0 -0.03114 -0.05394 0.00000 0.15798 0.08935
242 14F+1 -0.17659 -0.51759 -0.02957 -0.19300 0.14746
243 14F-1 -0.31368 -0.17659 0.05121 -0.11143 -0.12043
244 14F+2 0.47066 -0.39387 -0.36230 -0.04930 0.20989
245 14F-2 -0.39387 0.01586 0.20918 -0.08539 -0.12315
246 14F+3 0.23681 -0.13672 -0.45305 0.00000 0.09380
247 14F-3 0.06019 0.10425 0.00000 0.23542 0.02862
248 15G 0 0.07448 0.12900 0.00000 -0.13151 -0.00476
249 15G+1 -0.25194 -0.14444 0.03495 -0.10399 0.11215
250 15G-1 0.14647 -0.25194 -0.06054 -0.06004 -0.00370
251 15G+2 -0.04314 -0.05918 0.02221 -0.02120 0.30711
252 15G-2 -0.05918 -0.11147 -0.01283 -0.03672 -0.08915
253 15G+3 0.29726 -0.17162 -0.16342 0.00000 -0.00407
254 15G-3 -0.01533 -0.02655 0.00000 0.08468 -0.01659
255 15G+4 -0.10709 0.03693 -0.19870 -0.16591 -0.13293
256 15G-4 -0.03693 0.06445 -0.11472 0.28737 -0.13669
211 212 213 214 215
(E)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 15.02829 15.38029 15.59184 15.59184 15.88742
1 1 N 1S 0.00000 0.02035 0.00000 0.00000 -0.00265
2 2S 0.00000 -0.35366 0.00000 0.00000 -0.15628
3 3S 0.00000 -2.13897 0.00000 0.00000 -1.25854
4 4S 0.00000 0.39353 0.00000 0.00000 1.70827
5 5S 0.00000 23.21255 0.00000 0.00000 7.17307
6 6S 0.00000 6.43071 0.00000 0.00000 2.60323
7 7PX 0.41508 0.00000 0.00000 0.18301 0.00000
8 7PY 0.00000 0.00000 0.18301 0.00000 0.00000
9 7PZ 0.00000 -0.73446 0.00000 0.00000 0.24646
10 8PX -1.50443 0.00000 0.00000 -0.78900 0.00000
11 8PY 0.00000 0.00000 -0.78900 0.00000 0.00000
12 8PZ 0.00000 2.76208 0.00000 0.00000 -0.45042
13 9PX 5.29001 0.00000 0.00000 2.54561 0.00000
14 9PY 0.00000 0.00000 2.54561 0.00000 0.00000
15 9PZ 0.00000 -10.30607 0.00000 0.00000 -1.49783
16 10PX 2.59065 0.00000 0.00000 0.19311 0.00000
17 10PY 0.00000 0.00000 0.19311 0.00000 0.00000
18 10PZ 0.00000 -5.84295 0.00000 0.00000 -1.23151
19 11PX 0.04438 0.00000 0.00000 -0.12736 0.00000
20 11PY 0.00000 0.00000 -0.12736 0.00000 0.00000
21 11PZ 0.00000 -0.42140 0.00000 0.00000 -0.27950
22 12D 0 0.00000 0.00292 0.00000 0.00000 0.26162
23 12D+1 0.11960 0.00000 0.00000 -0.04735 0.00000
24 12D-1 0.00000 0.00000 -0.04735 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.05132 0.00000 0.00000
26 12D-2 -0.25308 0.00000 0.00000 -0.05132 0.00000
27 13D 0 0.00000 -0.38564 0.00000 0.00000 -0.11992
28 13D+1 -0.02004 0.00000 0.00000 0.07350 0.00000
29 13D-1 0.00000 0.00000 0.07350 0.00000 0.00000
30 13D+2 0.00000 0.00000 -0.02613 0.00000 0.00000
31 13D-2 0.16368 0.00000 0.00000 -0.02613 0.00000
32 14D 0 0.00000 1.61049 0.00000 0.00000 -1.43523
33 14D+1 -0.89175 0.00000 0.00000 0.31587 0.00000
34 14D-1 0.00000 0.00000 0.31587 0.00000 0.00000
35 14D+2 0.00000 0.00000 0.01499 0.00000 0.00000
36 14D-2 -1.21422 0.00000 0.00000 0.01499 0.00000
37 15D 0 0.00000 -0.35513 0.00000 0.00000 -0.53752
38 15D+1 -0.22149 0.00000 0.00000 0.43767 0.00000
39 15D-1 0.00000 0.00000 0.43767 0.00000 0.00000
40 15D+2 0.00000 0.00000 0.14533 0.00000 0.00000
41 15D-2 -0.88896 0.00000 0.00000 0.14533 0.00000
42 16F 0 0.00000 -0.42293 0.00000 0.00000 -0.38649
43 16F+1 -0.44573 0.00000 0.00000 0.24559 0.00000
44 16F-1 0.00000 0.00000 0.24559 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.28890 0.00000 0.00000
46 16F-2 0.54014 0.00000 0.00000 0.28890 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -0.23320 0.00000 0.00000 0.56382
49 17F 0 0.00000 0.98180 0.00000 0.00000 0.96603
50 17F+1 -0.00679 0.00000 0.00000 -0.79108 0.00000
51 17F-1 0.00000 0.00000 -0.79108 0.00000 0.00000
52 17F+2 0.00000 0.00000 -0.49419 0.00000 0.00000
53 17F-2 -0.25314 0.00000 0.00000 -0.49419 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 -0.30531 0.00000 0.00000 -1.06684
56 18F 0 0.00000 1.01022 0.00000 0.00000 0.30804
57 18F+1 -0.44953 0.00000 0.00000 -0.87223 0.00000
58 18F-1 0.00000 0.00000 -0.87223 0.00000 0.00000
59 18F+2 0.00000 0.00000 -0.36680 0.00000 0.00000
60 18F-2 0.30181 0.00000 0.00000 -0.36680 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 -0.88599 0.00000 0.00000 -1.45474
63 19G 0 0.00000 0.22662 0.00000 0.00000 -0.32144
64 19G+1 0.39680 0.00000 0.00000 -0.26128 0.00000
65 19G-1 0.00000 0.00000 -0.26128 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.26814 0.00000 0.00000
67 19G-2 -0.06096 0.00000 0.00000 -0.26814 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00611 0.00000 0.00000 -0.55152
70 19G+4 0.00000 0.00000 -0.01973 0.00000 0.00000
71 19G-4 0.17053 0.00000 0.00000 0.01973 0.00000
72 20G 0 0.00000 -1.05565 0.00000 0.00000 0.28307
73 20G+1 -0.43966 0.00000 0.00000 0.76875 0.00000
74 20G-1 0.00000 0.00000 0.76875 0.00000 0.00000
75 20G+2 0.00000 0.00000 0.41196 0.00000 0.00000
76 20G-2 -0.02454 0.00000 0.00000 0.41196 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.79531 0.00000 0.00000 1.24017
79 20G+4 0.00000 0.00000 0.33675 0.00000 0.00000
80 20G-4 -0.63415 0.00000 0.00000 -0.33675 0.00000
81 21H 0 0.00000 0.25121 0.00000 0.00000 -0.36768
82 21H+1 0.30704 0.00000 0.00000 -0.43584 0.00000
83 21H-1 0.00000 0.00000 -0.43584 0.00000 0.00000
84 21H+2 0.00000 0.00000 0.10106 0.00000 0.00000
85 21H-2 0.10060 0.00000 0.00000 0.10106 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.22705 0.00000 0.00000 -0.19415
88 21H+4 0.00000 0.00000 -0.12013 0.00000 0.00000
89 21H-4 -0.21063 0.00000 0.00000 0.12013 0.00000
90 21H+5 -0.12915 0.00000 0.00000 -0.28606 0.00000
91 21H-5 0.00000 0.00000 0.28606 0.00000 0.00000
92 2 H 1S 0.00000 0.45225 0.17252 0.00000 0.37559
93 2S 0.00000 -0.39102 -0.92491 0.00000 -1.51159
94 3S 0.00000 -8.08195 0.48405 0.00000 -2.29836
95 4S 0.00000 -3.17802 -0.11134 0.00000 -1.16440
96 5S 0.00000 -0.02698 0.10107 0.00000 -0.00926
97 6PX -0.05317 0.00000 0.00000 0.00226 0.00000
98 6PY 0.00000 0.15261 0.08185 0.00000 -0.14399
99 6PZ 0.00000 0.00603 0.20935 0.00000 -0.04806
100 7PX 0.09141 0.00000 0.00000 0.05485 0.00000
101 7PY 0.00000 -0.15653 0.36107 0.00000 0.65567
102 7PZ 0.00000 -0.06248 -0.18354 0.00000 -0.11573
103 8PX -0.51936 0.00000 0.00000 -0.91003 0.00000
104 8PY 0.00000 5.19245 -0.66260 0.00000 1.09451
105 8PZ 0.00000 0.03954 -1.42135 0.00000 -1.06463
106 9PX 0.17501 0.00000 0.00000 0.01754 0.00000
107 9PY 0.00000 1.62763 -0.02092 0.00000 0.43871
108 9PZ 0.00000 -0.35398 -0.19435 0.00000 -0.15091
109 10D 0 0.00000 -0.40619 0.43644 0.00000 0.01853
110 10D+1 0.35364 0.00000 0.00000 0.15920 0.00000
111 10D-1 0.00000 0.17849 -0.61105 0.00000 -0.31533
112 10D+2 0.00000 -0.59460 0.48792 0.00000 -0.24412
113 10D-2 -0.36837 0.00000 0.00000 -0.38830 0.00000
114 11D 0 0.00000 1.18769 -0.62610 0.00000 0.03236
115 11D+1 -0.48686 0.00000 0.00000 -0.23329 0.00000
116 11D-1 0.00000 -0.25978 1.06270 0.00000 0.76495
117 11D+2 0.00000 1.60498 -0.62701 0.00000 0.59615
118 11D-2 0.51732 0.00000 0.00000 0.75708 0.00000
119 12D 0 0.00000 0.58619 -0.20953 0.00000 -0.06550
120 12D+1 -0.13526 0.00000 0.00000 -0.20467 0.00000
121 12D-1 0.00000 -0.03588 0.34628 0.00000 0.09540
122 12D+2 0.00000 0.83463 -0.18496 0.00000 0.20872
123 12D-2 -0.04717 0.00000 0.00000 0.14311 0.00000
124 13F 0 0.00000 0.02667 -0.05639 0.00000 0.14098
125 13F+1 0.01559 0.00000 0.00000 0.09530 0.00000
126 13F-1 0.00000 -0.13096 -0.10187 0.00000 0.00850
127 13F+2 0.00000 0.07399 0.05187 0.00000 -0.02876
128 13F-2 -0.08935 0.00000 0.00000 -0.03955 0.00000
129 13F+3 -0.11194 0.00000 0.00000 0.02383 0.00000
130 13F-3 0.00000 -0.14375 -0.03565 0.00000 0.04341
131 14F 0 0.00000 -0.06786 0.19036 0.00000 0.13662
132 14F+1 -0.20557 0.00000 0.00000 0.11463 0.00000
133 14F-1 0.00000 -0.47582 0.37952 0.00000 -0.01193
134 14F+2 0.00000 -0.07603 0.29397 0.00000 0.24315
135 14F-2 0.28099 0.00000 0.00000 0.25286 0.00000
136 14F+3 0.10831 0.00000 0.00000 0.16817 0.00000
137 14F-3 0.00000 -0.43240 0.26963 0.00000 -0.30750
138 15G 0 0.00000 -0.02905 -0.07712 0.00000 0.06095
139 15G+1 -0.06845 0.00000 0.00000 0.19501 0.00000
140 15G-1 0.00000 0.14159 -0.05541 0.00000 -0.31068
141 15G+2 0.00000 -0.00263 0.17563 0.00000 -0.10647
142 15G-2 0.35858 0.00000 0.00000 -0.21783 0.00000
143 15G+3 -0.00470 0.00000 0.00000 0.20248 0.00000
144 15G-3 0.00000 -0.09161 -0.26780 0.00000 -0.03465
145 15G+4 0.00000 -0.16667 0.08973 0.00000 -0.12387
146 15G-4 0.21185 0.00000 0.00000 0.20191 0.00000
147 3 H 1S 0.22257 0.45225 -0.08626 0.14941 0.37559
148 2S 0.12531 -0.39102 0.46245 -0.80099 -1.51159
149 3S -4.25116 -8.08195 -0.24202 0.41920 -2.29836
150 4S -1.32555 -3.17802 0.05567 -0.09642 -1.16440
151 5S 0.10298 -0.02698 -0.05054 0.08753 -0.00926
152 6PX 0.13599 0.13217 -0.03446 0.06195 -0.12470
153 6PY -0.10921 -0.07631 0.02216 -0.03446 0.07200
154 6PZ -0.09502 0.00603 -0.10467 0.18130 -0.04806
155 7PX -0.24077 -0.13556 -0.13260 0.28452 0.56782
156 7PY 0.19179 0.07826 0.13140 -0.13260 -0.32783
157 7PZ 0.12987 -0.06248 0.09177 -0.15895 -0.11573
158 8PX 1.83376 4.49679 -0.10714 -0.72445 0.94788
159 8PY -1.35858 -2.59622 -0.84817 -0.10714 -0.54726
160 8PZ -1.48392 0.03954 0.71067 -1.23092 -1.06463
161 9PX 0.59973 1.40957 0.01665 -0.01131 0.37993
162 9PY -0.24521 -0.81382 0.00792 0.01665 -0.21935
163 9PZ -0.44427 -0.35398 0.09718 -0.16832 -0.15091
164 10D 0 0.00577 -0.40619 -0.21822 0.37797 0.01853
165 10D+1 0.10581 0.15457 0.33353 -0.41849 -0.27308
166 10D-1 0.14308 -0.08924 -0.03336 0.33353 0.15766
167 10D+2 -0.04858 0.29730 -0.16924 -0.37942 0.12206
168 10D-2 -0.28422 -0.51494 -0.37942 0.26887 -0.21141
169 11D 0 -0.15892 1.18769 0.31305 -0.54222 0.03236
170 11D+1 0.17430 -0.22497 -0.56118 0.73871 0.66247
171 11D-1 -0.38172 0.12989 0.09071 -0.56118 -0.38247
172 11D+2 -0.06292 -0.80249 0.41105 0.59933 -0.29808
173 11D-2 0.62630 1.38995 0.59933 -0.28099 0.51628
174 12D 0 -0.06178 0.58619 0.10476 -0.18145 -0.06550
175 12D+1 0.32744 -0.03107 -0.23857 0.20855 0.08262
176 12D-1 -0.26714 0.01794 -0.06693 -0.23857 -0.04770
177 12D+2 -0.14835 -0.41732 0.06109 0.14206 -0.10436
178 12D-2 0.20977 0.72281 0.14206 -0.10294 0.18075
179 13F 0 0.03276 0.02667 0.02820 -0.04884 0.14098
180 13F+1 0.13076 -0.11341 0.08538 -0.05258 0.00736
181 13F-1 -0.06649 0.06548 0.04601 0.08538 -0.00425
182 13F+2 -0.10564 -0.03699 -0.01670 -0.03959 0.01438
183 13F-2 0.09363 0.06408 -0.03959 0.02902 -0.02491
184 13F+3 0.05597 0.00000 -0.02064 -0.01192 0.00000
185 13F-3 -0.11805 -0.14375 0.01783 -0.03088 0.04341
186 14F 0 -0.15476 -0.06786 -0.09518 0.16486 0.13662
187 14F+1 0.04984 -0.41207 -0.11470 0.31330 -0.01033
188 14F-1 -0.14746 0.23791 0.18085 -0.11470 0.00596
189 14F+2 0.12315 0.03801 0.26314 -0.01780 -0.12158
190 14F-2 0.06768 -0.06584 -0.01780 0.28369 0.21057
191 14F+3 -0.05415 0.00000 -0.14564 -0.08408 0.00000
192 14F-3 -0.04957 -0.43240 -0.13482 0.23351 -0.30750
193 15G 0 0.00824 -0.02905 0.03856 -0.06679 0.06095
194 15G+1 0.12581 0.12262 0.10844 0.00719 -0.26906
195 15G-1 -0.11215 -0.07079 0.13240 0.10844 0.15534
196 15G+2 0.08915 0.00132 -0.11946 -0.17037 0.05323
197 15G-2 0.20416 -0.00228 -0.17037 0.07726 -0.09220
198 15G+3 0.00235 0.00000 -0.17535 -0.10124 0.00000
199 15G-3 0.02873 -0.09161 0.13390 -0.23192 -0.03465
200 15G+4 -0.13669 0.08334 -0.12900 -0.12629 0.06194
201 15G-4 -0.02490 0.14434 0.12629 -0.01682 0.10728
202 4 H 1S -0.22257 0.45225 -0.08626 -0.14941 0.37559
203 2S -0.12531 -0.39102 0.46245 0.80099 -1.51159
204 3S 4.25116 -8.08195 -0.24202 -0.41920 -2.29836
205 4S 1.32555 -3.17802 0.05567 0.09642 -1.16440
206 5S -0.10298 -0.02698 -0.05054 -0.08753 -0.00926
207 6PX 0.13599 -0.13217 0.03446 0.06195 0.12470
208 6PY 0.10921 -0.07631 0.02216 0.03446 0.07200
209 6PZ 0.09502 0.00603 -0.10467 -0.18130 -0.04806
210 7PX -0.24077 0.13556 0.13260 0.28452 -0.56782
211 7PY -0.19179 0.07826 0.13140 0.13260 -0.32783
212 7PZ -0.12987 -0.06248 0.09177 0.15895 -0.11573
213 8PX 1.83376 -4.49679 0.10714 -0.72445 -0.94788
214 8PY 1.35858 -2.59622 -0.84817 0.10714 -0.54726
215 8PZ 1.48392 0.03954 0.71067 1.23092 -1.06463
216 9PX 0.59973 -1.40957 -0.01665 -0.01131 -0.37993
217 9PY 0.24521 -0.81382 0.00792 -0.01665 -0.21935
218 9PZ 0.44427 -0.35398 0.09718 0.16832 -0.15091
219 10D 0 -0.00577 -0.40619 -0.21822 -0.37797 0.01853
220 10D+1 0.10581 -0.15457 -0.33353 -0.41849 0.27308
221 10D-1 -0.14308 -0.08924 -0.03336 -0.33353 0.15766
222 10D+2 0.04858 0.29730 -0.16924 0.37942 0.12206
223 10D-2 -0.28422 0.51494 0.37942 0.26887 0.21141
224 11D 0 0.15892 1.18769 0.31305 0.54222 0.03236
225 11D+1 0.17430 0.22497 0.56118 0.73871 -0.66247
226 11D-1 0.38172 0.12989 0.09071 0.56118 -0.38247
227 11D+2 0.06292 -0.80249 0.41105 -0.59933 -0.29808
228 11D-2 0.62630 -1.38995 -0.59933 -0.28099 -0.51628
229 12D 0 0.06178 0.58619 0.10476 0.18145 -0.06550
230 12D+1 0.32744 0.03107 0.23857 0.20855 -0.08262
231 12D-1 0.26714 0.01794 -0.06693 0.23857 -0.04770
232 12D+2 0.14835 -0.41732 0.06109 -0.14206 -0.10436
233 12D-2 0.20977 -0.72281 -0.14206 -0.10294 -0.18075
234 13F 0 -0.03276 0.02667 0.02820 0.04884 0.14098
235 13F+1 0.13076 0.11341 -0.08538 -0.05258 -0.00736
236 13F-1 0.06649 0.06548 0.04601 -0.08538 -0.00425
237 13F+2 0.10564 -0.03699 -0.01670 0.03959 0.01438
238 13F-2 0.09363 -0.06408 0.03959 0.02902 0.02491
239 13F+3 0.05597 0.00000 0.02064 -0.01192 0.00000
240 13F-3 0.11805 -0.14375 0.01783 0.03088 0.04341
241 14F 0 0.15476 -0.06786 -0.09518 -0.16486 0.13662
242 14F+1 0.04984 0.41207 0.11470 0.31330 0.01033
243 14F-1 0.14746 0.23791 0.18085 0.11470 0.00596
244 14F+2 -0.12315 0.03801 0.26314 0.01780 -0.12158
245 14F-2 0.06768 0.06584 0.01780 0.28369 -0.21057
246 14F+3 -0.05415 0.00000 0.14564 -0.08408 0.00000
247 14F-3 0.04957 -0.43240 -0.13482 -0.23351 -0.30750
248 15G 0 -0.00824 -0.02905 0.03856 0.06679 0.06095
249 15G+1 0.12581 -0.12262 -0.10844 0.00719 0.26906
250 15G-1 0.11215 -0.07079 0.13240 -0.10844 0.15534
251 15G+2 -0.08915 0.00132 -0.11946 0.17037 0.05323
252 15G-2 0.20416 0.00228 0.17037 0.07726 0.09220
253 15G+3 0.00235 0.00000 0.17535 -0.10124 0.00000
254 15G-3 -0.02873 -0.09161 0.13390 0.23192 -0.03465
255 15G+4 0.13669 0.08334 -0.12900 0.12629 0.06194
256 15G-4 -0.02490 -0.14434 -0.12629 -0.01682 -0.10728
216 217 218 219 220
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 16.03855 16.03855 16.23470 16.38063 16.38063
1 1 N 1S 0.00000 0.00000 0.01252 0.00000 0.00000
2 2S 0.00000 0.00000 -0.10520 0.00000 0.00000
3 3S 0.00000 0.00000 -0.71462 0.00000 0.00000
4 4S 0.00000 0.00000 1.63119 0.00000 0.00000
5 5S 0.00000 0.00000 2.65738 0.00000 0.00000
6 6S 0.00000 0.00000 0.85317 0.00000 0.00000
7 7PX 0.00000 0.61333 0.00000 0.00000 0.27359
8 7PY -0.61333 0.00000 0.00000 0.27359 0.00000
9 7PZ 0.00000 0.00000 0.42662 0.00000 0.00000
10 8PX 0.00000 -2.85480 0.00000 0.00000 -1.79915
11 8PY 2.85480 0.00000 0.00000 -1.79915 0.00000
12 8PZ 0.00000 0.00000 -1.38540 0.00000 0.00000
13 9PX 0.00000 14.48220 0.00000 0.00000 13.62855
14 9PY -14.48220 0.00000 0.00000 13.62855 0.00000
15 9PZ 0.00000 0.00000 2.16774 0.00000 0.00000
16 10PX 0.00000 9.74169 0.00000 0.00000 6.43167
17 10PY -9.74169 0.00000 0.00000 6.43167 0.00000
18 10PZ 0.00000 0.00000 1.27535 0.00000 0.00000
19 11PX 0.00000 0.57898 0.00000 0.00000 0.15391
20 11PY -0.57898 0.00000 0.00000 0.15391 0.00000
21 11PZ 0.00000 0.00000 -0.09668 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.10384 0.00000 0.00000
23 12D+1 0.00000 0.10032 0.00000 0.00000 -0.14740
24 12D-1 -0.10032 0.00000 0.00000 -0.14740 0.00000
25 12D+2 -0.07701 0.00000 0.00000 0.11664 0.00000
26 12D-2 0.00000 0.07701 0.00000 0.00000 0.11664
27 13D 0 0.00000 0.00000 0.16096 0.00000 0.00000
28 13D+1 0.00000 0.25176 0.00000 0.00000 -0.27798
29 13D-1 -0.25176 0.00000 0.00000 -0.27798 0.00000
30 13D+2 0.52528 0.00000 0.00000 -0.14711 0.00000
31 13D-2 0.00000 -0.52528 0.00000 0.00000 -0.14711
32 14D 0 0.00000 0.00000 -1.86929 0.00000 0.00000
33 14D+1 0.00000 -6.07547 0.00000 0.00000 -2.29642
34 14D-1 6.07547 0.00000 0.00000 -2.29642 0.00000
35 14D+2 1.65079 0.00000 0.00000 -4.80574 0.00000
36 14D-2 0.00000 -1.65079 0.00000 0.00000 -4.80574
37 15D 0 0.00000 0.00000 -0.91809 0.00000 0.00000
38 15D+1 0.00000 -2.75315 0.00000 0.00000 -0.46551
39 15D-1 2.75315 0.00000 0.00000 -0.46551 0.00000
40 15D+2 0.82382 0.00000 0.00000 -1.69620 0.00000
41 15D-2 0.00000 -0.82382 0.00000 0.00000 -1.69620
42 16F 0 0.00000 0.00000 0.57914 0.00000 0.00000
43 16F+1 0.00000 -0.16379 0.00000 0.00000 0.99091
44 16F-1 0.16379 0.00000 0.00000 0.99091 0.00000
45 16F+2 -0.27648 0.00000 0.00000 0.11039 0.00000
46 16F-2 0.00000 0.27648 0.00000 0.00000 0.11039
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.67187 0.00000 0.00000
49 17F 0 0.00000 0.00000 -0.85890 0.00000 0.00000
50 17F+1 0.00000 0.24680 0.00000 0.00000 -1.80832
51 17F-1 -0.24680 0.00000 0.00000 -1.80832 0.00000
52 17F+2 0.12823 0.00000 0.00000 0.34522 0.00000
53 17F-2 0.00000 -0.12823 0.00000 0.00000 0.34522
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 -1.25776 0.00000 0.00000
56 18F 0 0.00000 0.00000 -0.17610 0.00000 0.00000
57 18F+1 0.00000 0.22802 0.00000 0.00000 -1.07479
58 18F-1 -0.22802 0.00000 0.00000 -1.07479 0.00000
59 18F+2 -0.11581 0.00000 0.00000 0.24512 0.00000
60 18F-2 0.00000 0.11581 0.00000 0.00000 0.24512
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 -0.31555 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.16273 0.00000 0.00000
64 19G+1 0.00000 -0.01110 0.00000 0.00000 0.04294
65 19G-1 0.01110 0.00000 0.00000 0.04294 0.00000
66 19G+2 -0.11036 0.00000 0.00000 -0.01086 0.00000
67 19G-2 0.00000 0.11036 0.00000 0.00000 -0.01086
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.15813 0.00000 0.00000
70 19G+4 -0.01789 0.00000 0.00000 0.12455 0.00000
71 19G-4 0.00000 -0.01789 0.00000 0.00000 -0.12455
72 20G 0 0.00000 0.00000 0.65673 0.00000 0.00000
73 20G+1 0.00000 0.39614 0.00000 0.00000 0.50138
74 20G-1 -0.39614 0.00000 0.00000 0.50138 0.00000
75 20G+2 -0.04013 0.00000 0.00000 0.64532 0.00000
76 20G-2 0.00000 0.04013 0.00000 0.00000 0.64532
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 -0.43071 0.00000 0.00000
79 20G+4 -0.87792 0.00000 0.00000 0.63310 0.00000
80 20G-4 0.00000 -0.87792 0.00000 0.00000 -0.63310
81 21H 0 0.00000 0.00000 -0.00247 0.00000 0.00000
82 21H+1 0.00000 -0.23711 0.00000 0.00000 0.23076
83 21H-1 0.23711 0.00000 0.00000 0.23076 0.00000
84 21H+2 -0.16449 0.00000 0.00000 -0.23314 0.00000
85 21H-2 0.00000 0.16449 0.00000 0.00000 -0.23314
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.57023 0.00000 0.00000
88 21H+4 0.59851 0.00000 0.00000 -0.02142 0.00000
89 21H-4 0.00000 0.59851 0.00000 0.00000 0.02142
90 21H+5 0.00000 0.43016 0.00000 0.00000 -0.20820
91 21H-5 0.43016 0.00000 0.00000 0.20820 0.00000
92 2 H 1S -0.31633 0.00000 0.05193 0.47145 0.00000
93 2S -0.51663 0.00000 0.30061 0.05721 0.00000
94 3S 14.98757 0.00000 -0.99977 -12.99546 0.00000
95 4S 4.57426 0.00000 -0.61968 -3.95209 0.00000
96 5S -0.06681 0.00000 0.01062 0.14536 0.00000
97 6PX 0.00000 -0.57277 0.00000 0.00000 0.05788
98 6PY -0.06123 0.00000 -0.07380 -0.10250 0.00000
99 6PZ -0.12575 0.00000 -0.53029 -0.71984 0.00000
100 7PX 0.00000 0.51532 0.00000 0.00000 -0.01225
101 7PY 0.10863 0.00000 -0.10366 0.10793 0.00000
102 7PZ 0.11121 0.00000 0.53540 0.72410 0.00000
103 8PX 0.00000 -3.01368 0.00000 0.00000 -0.53109
104 8PY -8.25560 0.00000 0.18194 6.78451 0.00000
105 8PZ 2.72096 0.00000 -1.80284 -5.81076 0.00000
106 9PX 0.00000 -0.78664 0.00000 0.00000 0.11814
107 9PY -2.57817 0.00000 0.21683 2.41798 0.00000
108 9PZ 1.00498 0.00000 -0.47189 -1.41552 0.00000
109 10D 0 0.21075 0.00000 0.01001 -0.22944 0.00000
110 10D+1 0.00000 -0.26780 0.00000 0.00000 0.18074
111 10D-1 0.50803 0.00000 0.18642 -0.46411 0.00000
112 10D+2 0.63504 0.00000 -0.21117 -0.46861 0.00000
113 10D-2 0.00000 0.00328 0.00000 0.00000 -0.18369
114 11D 0 -0.86375 0.00000 -0.50856 0.05161 0.00000
115 11D+1 0.00000 -0.13136 0.00000 0.00000 -0.27268
116 11D-1 -1.31424 0.00000 0.34440 2.30744 0.00000
117 11D+2 -1.99502 0.00000 0.14423 1.34003 0.00000
118 11D-2 0.00000 1.28283 0.00000 0.00000 0.37549
119 12D 0 -0.52785 0.00000 -0.27261 -0.09457 0.00000
120 12D+1 0.00000 -0.31632 0.00000 0.00000 -0.10381
121 12D-1 -0.95390 0.00000 0.68104 1.99902 0.00000
122 12D+2 -1.20839 0.00000 -0.03975 1.17468 0.00000
123 12D-2 0.00000 1.12137 0.00000 0.00000 0.16457
124 13F 0 -0.02690 0.00000 -0.00066 0.07560 0.00000
125 13F+1 0.00000 0.06763 0.00000 0.00000 -0.01257
126 13F-1 0.17990 0.00000 0.25676 0.21517 0.00000
127 13F+2 -0.03432 0.00000 0.09932 0.20971 0.00000
128 13F-2 0.00000 0.21559 0.00000 0.00000 -0.01441
129 13F+3 0.00000 0.46220 0.00000 0.00000 -0.01346
130 13F-3 0.08872 0.00000 0.00543 0.00129 0.00000
131 14F 0 -0.24593 0.00000 -0.05121 0.46656 0.00000
132 14F+1 0.00000 0.14445 0.00000 0.00000 0.00688
133 14F-1 0.07440 0.00000 0.24090 0.31842 0.00000
134 14F+2 -0.35252 0.00000 0.15429 0.75513 0.00000
135 14F-2 0.00000 0.08741 0.00000 0.00000 0.18558
136 14F+3 0.00000 0.45186 0.00000 0.00000 0.15739
137 14F-3 0.40080 0.00000 -0.08144 -0.32205 0.00000
138 15G 0 -0.04004 0.00000 -0.04800 -0.01968 0.00000
139 15G+1 0.00000 -0.01229 0.00000 0.00000 0.02083
140 15G-1 -0.01334 0.00000 0.18270 -0.12253 0.00000
141 15G+2 -0.00089 0.00000 -0.01158 -0.01483 0.00000
142 15G-2 0.00000 -0.22277 0.00000 0.00000 0.05392
143 15G+3 0.00000 -0.16820 0.00000 0.00000 0.08611
144 15G-3 -0.00596 0.00000 -0.04142 -0.14828 0.00000
145 15G+4 -0.01930 0.00000 -0.16288 -0.11334 0.00000
146 15G-4 0.00000 -0.15298 0.00000 0.00000 -0.01327
147 3 H 1S 0.15816 0.27395 0.05193 -0.23572 0.40828
148 2S 0.25832 0.44742 0.30061 -0.02861 0.04955
149 3S -7.49379 -12.97962 -0.99977 6.49773 -11.25440
150 4S -2.28713 -3.96142 -0.61968 1.97605 -3.42261
151 5S 0.03341 0.05786 0.01062 -0.07268 0.12588
152 6PX 0.27453 -0.09727 -0.06392 0.06945 -0.06241
153 6PY 0.41427 -0.27453 0.03690 0.01778 0.06945
154 6PZ 0.06287 0.10890 -0.53029 0.35992 -0.62340
155 7PX -0.27018 0.04736 -0.08977 -0.05204 0.07788
156 7PY -0.35933 0.27018 0.05183 0.01779 -0.05204
157 7PZ -0.05560 -0.09631 0.53540 -0.36205 0.62709
158 8PX 4.87974 5.43828 0.15756 -3.16775 4.95561
159 8PY 0.19636 -4.87974 -0.09097 1.29781 -3.16775
160 8PZ -1.36048 -2.35642 -1.80284 2.90538 -5.03227
161 9PX 1.45700 1.73697 0.18778 -0.99586 1.84302
162 9PY -0.05456 -1.45700 -0.10842 0.69310 -0.99586
163 9PZ -0.50249 -0.87034 -0.47189 0.70776 -1.22588
164 10D 0 -0.10538 -0.18252 0.01001 0.11472 -0.19870
165 10D+1 -0.10403 -0.44797 0.16144 0.27923 -0.30290
166 10D-1 0.32785 0.10403 -0.09321 0.01953 0.27923
167 10D+2 0.15630 0.27640 0.10559 -0.25492 0.12338
168 10D-2 -0.27640 -0.47546 -0.18288 0.12338 -0.39738
169 11D 0 0.43188 0.74803 -0.50856 -0.02581 0.04470
170 11D+1 0.62596 0.95284 0.29826 -1.11722 1.66241
171 11D-1 -0.23004 -0.62596 -0.17220 0.37235 -1.11722
172 11D+2 -1.46088 -0.30839 -0.07212 0.61662 -0.41766
173 11D-2 0.30839 1.81697 0.12491 -0.41766 1.09890
174 12D 0 0.26393 0.45714 -0.27261 0.04728 -0.08190
175 12D+1 0.55002 0.63634 0.58979 -0.91055 1.47331
176 12D-1 -0.00124 -0.55002 -0.34052 0.42190 -0.91055
177 12D+2 -1.14312 -0.03768 0.01988 0.41709 -0.43739
178 12D-2 0.03768 1.18663 -0.03443 -0.43739 0.92215
179 13F 0 0.01345 0.02330 -0.00066 -0.03780 0.06548
180 13F+1 -0.10718 -0.11801 0.22236 -0.09861 0.15824
181 13F-1 -0.00575 0.10718 -0.12838 0.04437 -0.09861
182 13F+2 -0.17028 0.07849 -0.04966 0.04162 -0.09705
183 13F-2 -0.07849 0.07964 0.08601 -0.09705 0.15368
184 13F+3 0.40028 -0.23110 0.00000 0.01166 0.00673
185 13F-3 -0.04436 -0.07683 0.00543 -0.00065 0.00112
186 14F 0 0.12296 0.21298 -0.05121 -0.23328 0.40406
187 14F+1 -0.09476 -0.01969 0.20863 -0.13490 0.24054
188 14F-1 -0.08973 0.09476 -0.12045 0.08477 -0.13490
189 14F+2 -0.15369 -0.11480 -0.07715 0.32797 -0.24662
190 14F-2 0.11480 0.28624 0.13362 -0.24662 0.61275
191 14F+3 0.39132 -0.22593 0.00000 -0.13630 -0.07870
192 14F-3 -0.20040 -0.34711 -0.08144 0.16102 -0.27890
193 15G 0 0.02002 0.03468 -0.04800 0.00984 -0.01704
194 15G+1 0.01110 0.00694 0.15822 0.06207 -0.08669
195 15G-1 0.00588 -0.01110 -0.09135 -0.01501 0.06207
196 15G+2 0.16686 -0.09685 0.00579 0.03673 0.02977
197 15G-2 0.09685 -0.05503 -0.01003 0.02977 0.00236
198 15G+3 -0.14566 0.08410 0.00000 -0.07457 -0.04305
199 15G-3 0.00298 0.00516 -0.04142 0.07414 -0.12842
200 15G+4 -0.11956 0.05789 0.08144 -0.01838 0.05482
201 15G-4 0.05789 -0.05272 0.14106 -0.05482 0.08169
202 4 H 1S 0.15816 -0.27395 0.05193 -0.23572 -0.40828
203 2S 0.25832 -0.44742 0.30061 -0.02861 -0.04955
204 3S -7.49379 12.97962 -0.99977 6.49773 11.25440
205 4S -2.28713 3.96142 -0.61968 1.97605 3.42261
206 5S 0.03341 -0.05786 0.01062 -0.07268 -0.12588
207 6PX -0.27453 -0.09727 0.06392 -0.06945 -0.06241
208 6PY 0.41427 0.27453 0.03690 0.01778 -0.06945
209 6PZ 0.06287 -0.10890 -0.53029 0.35992 0.62340
210 7PX 0.27018 0.04736 0.08977 0.05204 0.07788
211 7PY -0.35933 -0.27018 0.05183 0.01779 0.05204
212 7PZ -0.05560 0.09631 0.53540 -0.36205 -0.62709
213 8PX -4.87974 5.43828 -0.15756 3.16775 4.95561
214 8PY 0.19636 4.87974 -0.09097 1.29781 3.16775
215 8PZ -1.36048 2.35642 -1.80284 2.90538 5.03227
216 9PX -1.45700 1.73697 -0.18778 0.99586 1.84302
217 9PY -0.05456 1.45700 -0.10842 0.69310 0.99586
218 9PZ -0.50249 0.87034 -0.47189 0.70776 1.22588
219 10D 0 -0.10538 0.18252 0.01001 0.11472 0.19870
220 10D+1 0.10403 -0.44797 -0.16144 -0.27923 -0.30290
221 10D-1 0.32785 -0.10403 -0.09321 0.01953 -0.27923
222 10D+2 0.15630 -0.27640 0.10559 -0.25492 -0.12338
223 10D-2 0.27640 -0.47546 0.18288 -0.12338 -0.39738
224 11D 0 0.43188 -0.74803 -0.50856 -0.02581 -0.04470
225 11D+1 -0.62596 0.95284 -0.29826 1.11722 1.66241
226 11D-1 -0.23004 0.62596 -0.17220 0.37235 1.11722
227 11D+2 -1.46088 0.30839 -0.07212 0.61662 0.41766
228 11D-2 -0.30839 1.81697 -0.12491 0.41766 1.09890
229 12D 0 0.26393 -0.45714 -0.27261 0.04728 0.08190
230 12D+1 -0.55002 0.63634 -0.58979 0.91055 1.47331
231 12D-1 -0.00124 0.55002 -0.34052 0.42190 0.91055
232 12D+2 -1.14312 0.03768 0.01988 0.41709 0.43739
233 12D-2 -0.03768 1.18663 0.03443 0.43739 0.92215
234 13F 0 0.01345 -0.02330 -0.00066 -0.03780 -0.06548
235 13F+1 0.10718 -0.11801 -0.22236 0.09861 0.15824
236 13F-1 -0.00575 -0.10718 -0.12838 0.04437 0.09861
237 13F+2 -0.17028 -0.07849 -0.04966 0.04162 0.09705
238 13F-2 0.07849 0.07964 -0.08601 0.09705 0.15368
239 13F+3 -0.40028 -0.23110 0.00000 -0.01166 0.00673
240 13F-3 -0.04436 0.07683 0.00543 -0.00065 -0.00112
241 14F 0 0.12296 -0.21298 -0.05121 -0.23328 -0.40406
242 14F+1 0.09476 -0.01969 -0.20863 0.13490 0.24054
243 14F-1 -0.08973 -0.09476 -0.12045 0.08477 0.13490
244 14F+2 -0.15369 0.11480 -0.07715 0.32797 0.24662
245 14F-2 -0.11480 0.28624 -0.13362 0.24662 0.61275
246 14F+3 -0.39132 -0.22593 0.00000 0.13630 -0.07870
247 14F-3 -0.20040 0.34711 -0.08144 0.16102 0.27890
248 15G 0 0.02002 -0.03468 -0.04800 0.00984 0.01704
249 15G+1 -0.01110 0.00694 -0.15822 -0.06207 -0.08669
250 15G-1 0.00588 0.01110 -0.09135 -0.01501 -0.06207
251 15G+2 0.16686 0.09685 0.00579 0.03673 -0.02977
252 15G-2 -0.09685 -0.05503 0.01003 -0.02977 0.00236
253 15G+3 0.14566 0.08410 0.00000 0.07457 -0.04305
254 15G-3 0.00298 -0.00516 -0.04142 0.07414 0.12842
255 15G+4 -0.11956 -0.05789 0.08144 -0.01838 -0.05482
256 15G-4 -0.05789 -0.05272 -0.14106 0.05482 0.08169
221 222 223 224 225
(A1)--V (A2)--V (E)--V (E)--V (E)--V
Eigenvalues -- 16.49597 16.73807 16.74272 16.74272 16.94602
1 1 N 1S 0.00391 0.00000 0.00000 0.00000 0.00000
2 2S -0.14266 0.00000 0.00000 0.00000 0.00000
3 3S -0.84963 0.00000 0.00000 0.00000 0.00000
4 4S 0.16125 0.00000 0.00000 0.00000 0.00000
5 5S 10.40506 0.00000 0.00000 0.00000 0.00000
6 6S 2.60049 0.00000 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.00000 0.23838 0.31324
8 7PY 0.00000 0.00000 0.23838 0.00000 0.00000
9 7PZ 0.07908 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.00000 0.14816 -0.73719
11 8PY 0.00000 0.00000 0.14816 0.00000 0.00000
12 8PZ -0.37889 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.00000 -10.95955 0.21095
14 9PY 0.00000 0.00000 -10.95955 0.00000 0.00000
15 9PZ 0.04389 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.00000 -5.05320 -0.66140
17 10PY 0.00000 0.00000 -5.05320 0.00000 0.00000
18 10PZ -0.57191 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.00000 -0.49622 0.05315
20 11PY 0.00000 0.00000 -0.49622 0.00000 0.00000
21 11PZ -0.13593 0.00000 0.00000 0.00000 0.00000
22 12D 0 -0.36270 0.00000 0.00000 0.00000 0.00000
23 12D+1 0.00000 0.00000 0.00000 0.03828 0.37449
24 12D-1 0.00000 0.00000 0.03828 0.00000 0.00000
25 12D+2 0.00000 0.00000 0.08476 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 0.08476 0.01390
27 13D 0 0.66830 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.00000 0.07396 -0.33320
29 13D-1 0.00000 0.00000 0.07396 0.00000 0.00000
30 13D+2 0.00000 0.00000 -0.08831 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 -0.08831 0.26042
32 14D 0 -3.53051 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 0.00000 5.68543 1.68566
34 14D-1 0.00000 0.00000 5.68543 0.00000 0.00000
35 14D+2 0.00000 0.00000 7.14986 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 7.14986 -0.61766
37 15D 0 -1.10173 0.00000 0.00000 0.00000 0.00000
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39 15D-1 0.00000 0.00000 1.30439 0.00000 0.00000
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256 15G-4 0.28035 -0.00895 -0.09389 -0.12757 0.04030
226 227 228 229 230
(E)--V (E)--V (E)--V (A1)--V (E)--V
Eigenvalues -- 16.94602 16.98611 16.98611 17.10201 17.19573
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80 20G-4 0.00000 0.00000 0.15056 0.00000 0.16195
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96 5S -0.15031 -0.13702 0.00000 -0.01181 0.00000
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101 7PY 0.31884 -1.21121 0.00000 0.16597 0.00000
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104 8PY -1.24922 4.07867 0.00000 1.52724 0.00000
105 8PZ -1.16521 -0.74486 0.00000 -3.07895 0.00000
106 9PX 0.00000 0.00000 -0.60718 0.00000 0.50722
107 9PY -0.12526 1.16501 0.00000 0.68836 0.00000
108 9PZ -0.32337 -0.22917 0.00000 -0.70245 0.00000
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111 10D-1 -0.16218 -0.41877 0.00000 -0.47415 0.00000
112 10D+2 -0.19782 -0.46524 0.00000 0.20019 0.00000
113 10D-2 0.00000 0.00000 -0.59593 0.00000 0.25969
114 11D 0 -0.70619 0.53242 0.00000 -0.76981 0.00000
115 11D+1 0.00000 0.00000 -0.68243 0.00000 -0.05940
116 11D-1 0.22102 0.53213 0.00000 1.25080 0.00000
117 11D+2 -0.12195 0.81934 0.00000 0.04963 0.00000
118 11D-2 0.00000 0.00000 1.36908 0.00000 -0.47688
119 12D 0 -0.50136 0.63195 0.00000 -0.42277 0.00000
120 12D+1 0.00000 0.00000 -0.43278 0.00000 0.02252
121 12D-1 0.35265 0.44543 0.00000 1.00401 0.00000
122 12D+2 -0.28754 0.89214 0.00000 0.09632 0.00000
123 12D-2 0.00000 0.00000 0.98416 0.00000 -0.70043
124 13F 0 -0.26546 -0.01343 0.00000 0.09553 0.00000
125 13F+1 0.00000 0.00000 -0.12204 0.00000 -0.06540
126 13F-1 0.28620 -0.04373 0.00000 0.08622 0.00000
127 13F+2 -0.11016 -0.13730 0.00000 0.06246 0.00000
128 13F-2 0.00000 0.00000 0.21944 0.00000 0.04449
129 13F+3 0.00000 0.00000 0.10265 0.00000 -0.01651
130 13F-3 0.03652 0.11519 0.00000 -0.17008 0.00000
131 14F 0 -0.15986 0.17984 0.00000 0.13285 0.00000
132 14F+1 0.00000 0.00000 0.00095 0.00000 -0.11894
133 14F-1 0.37895 -0.23612 0.00000 0.65691 0.00000
134 14F+2 0.05231 0.13945 0.00000 0.50334 0.00000
135 14F-2 0.00000 0.00000 0.56873 0.00000 -0.02392
136 14F+3 0.00000 0.00000 0.56410 0.00000 -0.42315
137 14F-3 0.01522 -0.16816 0.00000 0.07924 0.00000
138 15G 0 -0.01842 -0.00200 0.00000 0.30768 0.00000
139 15G+1 0.00000 0.00000 0.06708 0.00000 -0.10803
140 15G-1 0.52238 0.11549 0.00000 0.02174 0.00000
141 15G+2 0.17618 -0.04454 0.00000 0.28807 0.00000
142 15G-2 0.00000 0.00000 0.31268 0.00000 0.06878
143 15G+3 0.00000 0.00000 0.44249 0.00000 -0.05169
144 15G-3 0.11220 0.28742 0.00000 -0.18343 0.00000
145 15G+4 -0.07362 0.18538 0.00000 -0.13880 0.00000
146 15G-4 0.00000 0.00000 -0.16053 0.00000 0.20304
147 3 H 1S 0.07563 0.13086 -0.22665 0.23896 -0.01272
148 2S -0.19983 -1.21101 2.09753 -0.61129 0.46941
149 3S -0.27881 2.72011 -4.71138 -4.26352 -1.74689
150 4S -0.13155 0.60340 -1.04512 -1.63739 -0.29065
151 5S 0.07515 0.06851 -0.11866 -0.01181 -0.08806
152 6PX 0.40694 -0.16259 0.09711 0.13598 0.06361
153 6PY 0.20287 -0.09063 -0.16259 -0.07851 0.31816
154 6PZ 0.01860 -0.13191 0.22847 -0.36365 -0.23244
155 7PX -0.34759 0.76863 -0.76744 0.14373 -0.30382
156 7PY -0.28320 0.12009 0.76863 -0.08299 -0.36753
157 7PZ -0.10682 -0.05495 0.09518 0.66517 0.62530
158 8PX 0.75618 -2.94649 2.37752 1.32263 1.15043
159 8PY 0.06052 -1.02480 -2.94649 -0.76362 0.18046
160 8PZ 0.58260 0.37243 -0.64507 -3.07895 -2.10559
161 9PX 0.14816 -0.76738 0.72196 0.59614 0.46989
162 9PY 0.13136 -0.16413 -0.76738 -0.34418 0.02155
163 9PZ 0.16168 0.11459 -0.19847 -0.70245 -0.44444
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165 10D+1 0.08932 0.29398 -0.24904 -0.41062 -0.45623
166 10D-1 -0.00747 0.09042 0.29398 0.23707 0.24652
167 10D+2 -0.21386 -0.56326 -0.05659 -0.10009 0.09674
168 10D-2 -0.00926 -0.05659 -0.49792 0.17337 0.09213
169 11D 0 0.35309 -0.26621 0.46109 -0.76981 -0.08337
170 11D+1 -0.09239 -0.52592 0.22849 1.08323 0.87299
171 11D-1 0.06099 -0.37879 -0.52592 -0.62540 -0.53832
172 11D+2 0.09494 1.23164 0.23804 -0.02482 -0.11101
173 11D-2 0.12522 0.23804 0.95678 0.04298 -0.28460
174 12D 0 0.25068 -0.31598 0.54729 -0.42277 -0.13214
175 12D+1 -0.16457 -0.38027 0.22588 0.86950 0.71473
176 12D-1 0.06761 -0.21323 -0.38027 -0.50201 -0.39965
177 12D+2 -0.25075 0.96115 0.03985 -0.04816 -0.41156
178 12D-2 0.02124 0.03985 0.91514 0.08342 0.01242
179 13F 0 0.13273 0.00671 -0.01163 0.09553 0.17570
180 13F+1 -0.09469 -0.03391 -0.06331 0.07467 -0.02912
181 13F-1 0.12219 -0.10246 -0.03391 -0.04311 -0.02095
182 13F+2 -0.13697 0.13026 0.15448 -0.03123 0.03518
183 13F-2 -0.01548 0.15448 -0.04812 0.05409 -0.01644
184 13F+3 0.04315 -0.08890 -0.05132 0.00000 0.00825
185 13F-3 -0.01826 -0.05759 0.09976 -0.17008 0.24139
186 14F 0 0.07993 -0.08992 0.15575 0.13285 0.33351
187 14F+1 -0.15891 0.10265 -0.17685 0.56890 0.18439
188 14F-1 0.10371 -0.05832 0.10265 -0.32846 -0.17513
189 14F+2 0.04023 0.46141 0.18588 -0.25167 -0.20106
190 14F-2 -0.00698 0.18588 0.24677 0.43590 0.32433
191 14F+3 -0.02869 -0.48853 -0.28205 0.00000 0.21158
192 14F-3 -0.00761 0.08408 -0.14564 0.07924 0.20251
193 15G 0 0.00921 0.00100 -0.00173 0.30768 0.20289
194 15G+1 -0.20985 -0.02096 0.10339 0.01883 -0.28884
195 15G-1 0.15890 0.07918 -0.02096 -0.01087 0.10439
196 15G+2 -0.10956 0.22338 0.15468 -0.14403 -0.03204
197 15G-2 -0.16497 0.15468 0.04476 0.24947 0.12427
198 15G+3 0.13093 -0.38320 -0.22124 0.00000 0.02584
199 15G-3 -0.05610 -0.14371 0.24891 -0.18343 0.08251
200 15G+4 0.02634 0.16674 -0.01076 0.06940 -0.31494
201 15G-4 -0.05771 0.01076 -0.17917 0.12021 -0.34245
202 4 H 1S 0.07563 0.13086 0.22665 0.23896 0.01272
203 2S -0.19983 -1.21101 -2.09753 -0.61129 -0.46941
204 3S -0.27881 2.72011 4.71138 -4.26352 1.74689
205 4S -0.13155 0.60340 1.04512 -1.63739 0.29065
206 5S 0.07515 0.06851 0.11866 -0.01181 0.08806
207 6PX -0.40694 0.16259 0.09711 -0.13598 0.06361
208 6PY 0.20287 -0.09063 0.16259 -0.07851 -0.31816
209 6PZ 0.01860 -0.13191 -0.22847 -0.36365 0.23244
210 7PX 0.34759 -0.76863 -0.76744 -0.14373 -0.30382
211 7PY -0.28320 0.12009 -0.76863 -0.08299 0.36753
212 7PZ -0.10682 -0.05495 -0.09518 0.66517 -0.62530
213 8PX -0.75618 2.94649 2.37752 -1.32263 1.15043
214 8PY 0.06052 -1.02480 2.94649 -0.76362 -0.18046
215 8PZ 0.58260 0.37243 0.64507 -3.07895 2.10559
216 9PX -0.14816 0.76738 0.72196 -0.59614 0.46989
217 9PY 0.13136 -0.16413 0.76738 -0.34418 -0.02155
218 9PZ 0.16168 0.11459 0.19847 -0.70245 0.44444
219 10D 0 -0.03657 0.09164 0.15873 0.47440 -0.08782
220 10D+1 -0.08932 -0.29398 -0.24904 0.41062 -0.45623
221 10D-1 -0.00747 0.09042 -0.29398 0.23707 -0.24652
222 10D+2 -0.21386 -0.56326 0.05659 -0.10009 -0.09674
223 10D-2 0.00926 0.05659 -0.49792 -0.17337 0.09213
224 11D 0 0.35309 -0.26621 -0.46109 -0.76981 0.08337
225 11D+1 0.09239 0.52592 0.22849 -1.08323 0.87299
226 11D-1 0.06099 -0.37879 0.52592 -0.62540 0.53832
227 11D+2 0.09494 1.23164 -0.23804 -0.02482 0.11101
228 11D-2 -0.12522 -0.23804 0.95678 -0.04298 -0.28460
229 12D 0 0.25068 -0.31598 -0.54729 -0.42277 0.13214
230 12D+1 0.16457 0.38027 0.22588 -0.86950 0.71473
231 12D-1 0.06761 -0.21323 0.38027 -0.50201 0.39965
232 12D+2 -0.25075 0.96115 -0.03985 -0.04816 0.41156
233 12D-2 -0.02124 -0.03985 0.91514 -0.08342 0.01242
234 13F 0 0.13273 0.00671 0.01163 0.09553 -0.17570
235 13F+1 0.09469 0.03391 -0.06331 -0.07467 -0.02912
236 13F-1 0.12219 -0.10246 0.03391 -0.04311 0.02095
237 13F+2 -0.13697 0.13026 -0.15448 -0.03123 -0.03518
238 13F-2 0.01548 -0.15448 -0.04812 -0.05409 -0.01644
239 13F+3 -0.04315 0.08890 -0.05132 0.00000 0.00825
240 13F-3 -0.01826 -0.05759 -0.09976 -0.17008 -0.24139
241 14F 0 0.07993 -0.08992 -0.15575 0.13285 -0.33351
242 14F+1 0.15891 -0.10265 -0.17685 -0.56890 0.18439
243 14F-1 0.10371 -0.05832 -0.10265 -0.32846 0.17513
244 14F+2 0.04023 0.46141 -0.18588 -0.25167 0.20106
245 14F-2 0.00698 -0.18588 0.24677 -0.43590 0.32433
246 14F+3 0.02869 0.48853 -0.28205 0.00000 0.21158
247 14F-3 -0.00761 0.08408 0.14564 0.07924 -0.20251
248 15G 0 0.00921 0.00100 0.00173 0.30768 -0.20289
249 15G+1 0.20985 0.02096 0.10339 -0.01883 -0.28884
250 15G-1 0.15890 0.07918 0.02096 -0.01087 -0.10439
251 15G+2 -0.10956 0.22338 -0.15468 -0.14403 0.03204
252 15G-2 0.16497 -0.15468 0.04476 -0.24947 0.12427
253 15G+3 -0.13093 0.38320 -0.22124 0.00000 0.02584
254 15G-3 -0.05610 -0.14371 -0.24891 -0.18343 -0.08251
255 15G+4 0.02634 0.16674 0.01076 0.06940 0.31494
256 15G-4 0.05771 -0.01076 -0.17917 -0.12021 -0.34245
231 232 233 234 235
(E)--V (A1)--V (E)--V (E)--V (A2)--V
Eigenvalues -- 17.19573 17.21685 17.37612 17.37612 17.48753
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2 2S 0.00000 -0.20660 0.00000 0.00000 0.00000
3 3S 0.00000 -1.58829 0.00000 0.00000 0.00000
4 4S 0.00000 3.38326 0.00000 0.00000 0.00000
5 5S 0.00000 9.05246 0.00000 0.00000 0.00000
6 6S 0.00000 3.43486 0.00000 0.00000 0.00000
7 7PX 0.00000 0.00000 0.16259 0.00000 0.00000
8 7PY -0.09979 0.00000 0.00000 0.16259 0.00000
9 7PZ 0.00000 0.34182 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 -0.72164 0.00000 0.00000
11 8PY 0.26578 0.00000 0.00000 -0.72164 0.00000
12 8PZ 0.00000 -0.59331 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 0.18336 0.00000 0.00000
14 9PY -2.39589 0.00000 0.00000 0.18336 0.00000
15 9PZ 0.00000 -2.67495 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 0.98130 0.00000 0.00000
17 10PY 0.97266 0.00000 0.00000 0.98130 0.00000
18 10PZ 0.00000 -2.53438 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.02610 0.00000 0.00000
20 11PY 0.01339 0.00000 0.00000 0.02610 0.00000
21 11PZ 0.00000 -0.37249 0.00000 0.00000 0.00000
22 12D 0 0.00000 0.17964 0.00000 0.00000 0.00000
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24 12D-1 -0.28142 0.00000 0.00000 -0.42963 0.00000
25 12D+2 -0.10631 0.00000 0.00000 0.14234 0.00000
26 12D-2 0.00000 0.00000 0.14234 0.00000 0.00000
27 13D 0 0.00000 -0.17905 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.86121 0.00000 0.00000
29 13D-1 0.29833 0.00000 0.00000 0.86121 0.00000
30 13D+2 0.25525 0.00000 0.00000 -0.27209 0.00000
31 13D-2 0.00000 0.00000 -0.27209 0.00000 0.00000
32 14D 0 0.00000 -0.00641 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 -3.39640 0.00000 0.00000
34 14D-1 -1.18933 0.00000 0.00000 -3.39640 0.00000
35 14D+2 1.71590 0.00000 0.00000 4.55974 0.00000
36 14D-2 0.00000 0.00000 4.55974 0.00000 0.00000
37 15D 0 0.00000 0.36827 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 -0.96756 0.00000 0.00000
39 15D-1 -1.07726 0.00000 0.00000 -0.96756 0.00000
40 15D+2 0.64983 0.00000 0.00000 0.95895 0.00000
41 15D-2 0.00000 0.00000 0.95895 0.00000 0.00000
42 16F 0 0.00000 0.13929 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 -0.31582 0.00000 0.00000
44 16F-1 -0.08821 0.00000 0.00000 -0.31582 0.00000
45 16F+2 0.17779 0.00000 0.00000 0.39817 0.00000
46 16F-2 0.00000 0.00000 0.39817 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.36233
48 16F-3 0.00000 0.11761 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.23629 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 1.11751 0.00000 0.00000
51 17F-1 0.85130 0.00000 0.00000 1.11751 0.00000
52 17F+2 -0.21355 0.00000 0.00000 -1.06733 0.00000
53 17F-2 0.00000 0.00000 -1.06733 0.00000 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 -1.02191
55 17F-3 0.00000 -0.46974 0.00000 0.00000 0.00000
56 18F 0 0.00000 -0.17831 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 1.04130 0.00000 0.00000
58 18F-1 0.88983 0.00000 0.00000 1.04130 0.00000
59 18F+2 -0.23054 0.00000 0.00000 -0.85862 0.00000
60 18F-2 0.00000 0.00000 -0.85862 0.00000 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.21150
62 18F-3 0.00000 0.07239 0.00000 0.00000 0.00000
63 19G 0 0.00000 -0.36704 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.20525 0.00000 0.00000
65 19G-1 -0.15923 0.00000 0.00000 0.20525 0.00000
66 19G+2 -0.31057 0.00000 0.00000 -0.12815 0.00000
67 19G-2 0.00000 0.00000 -0.12815 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 -0.12965
69 19G-3 0.00000 0.50841 0.00000 0.00000 0.00000
70 19G+4 0.36996 0.00000 0.00000 -0.04202 0.00000
71 19G-4 0.00000 0.00000 0.04202 0.00000 0.00000
72 20G 0 0.00000 0.36131 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 0.19502 0.00000 0.00000
74 20G-1 -0.37470 0.00000 0.00000 0.19502 0.00000
75 20G+2 0.10269 0.00000 0.00000 0.37594 0.00000
76 20G-2 0.00000 0.00000 0.37594 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 -0.59783
78 20G-3 0.00000 -0.11821 0.00000 0.00000 0.00000
79 20G+4 0.16195 0.00000 0.00000 -0.31978 0.00000
80 20G-4 0.00000 0.00000 0.31978 0.00000 0.00000
81 21H 0 0.00000 -0.20676 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 -0.41946 0.00000 0.00000
83 21H-1 0.11576 0.00000 0.00000 -0.41946 0.00000
84 21H+2 0.14379 0.00000 0.00000 -0.33975 0.00000
85 21H-2 0.00000 0.00000 -0.33975 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 1.13307
87 21H-3 0.00000 -0.00574 0.00000 0.00000 0.00000
88 21H+4 -0.25208 0.00000 0.00000 0.02670 0.00000
89 21H-4 0.00000 0.00000 -0.02670 0.00000 0.00000
90 21H+5 0.00000 0.00000 0.10054 0.00000 0.00000
91 21H-5 0.69476 0.00000 0.00000 -0.10054 0.00000
92 2 H 1S 0.01469 0.04515 0.00000 -0.08624 0.00000
93 2S -0.54202 0.52703 0.00000 0.11922 0.00000
94 3S 2.01713 -3.12032 0.00000 1.55199 0.00000
95 4S 0.33561 -2.16580 0.00000 0.12758 0.00000
96 5S 0.10169 0.04537 0.00000 0.04422 0.00000
97 6PX 0.00000 0.00000 0.18276 0.00000 0.41684
98 6PY 0.12008 0.79112 0.00000 -0.22108 0.00000
99 6PZ 0.26840 0.22046 0.00000 0.00460 0.00000
100 7PX 0.00000 0.00000 0.19744 0.00000 -0.41469
101 7PY 0.09163 -1.07122 0.00000 0.21579 0.00000
102 7PZ -0.72203 -0.35761 0.00000 -0.24720 0.00000
103 8PX 0.00000 0.00000 -2.85522 0.00000 0.31410
104 8PY -1.04624 2.64061 0.00000 -0.62513 0.00000
105 8PZ 2.43132 -0.39098 0.00000 2.52143 0.00000
106 9PX 0.00000 0.00000 -0.56952 0.00000 0.15142
107 9PY -0.45745 1.15062 0.00000 -0.13479 0.00000
108 9PZ 0.51319 -0.15651 0.00000 0.46896 0.00000
109 10D 0 -0.10141 -0.00286 0.00000 -0.32906 0.00000
110 10D+1 0.00000 0.00000 0.00950 0.00000 0.17922
111 10D-1 0.59855 0.08487 0.00000 0.40353 0.00000
112 10D+2 -0.03628 0.02233 0.00000 0.04673 0.00000
113 10D-2 0.00000 0.00000 -0.93448 0.00000 -0.18418
114 11D 0 0.09627 0.13075 0.00000 0.94746 0.00000
115 11D+1 0.00000 0.00000 -0.00175 0.00000 -0.53794
116 11D-1 -1.18379 0.26965 0.00000 -1.07065 0.00000
117 11D+2 0.22051 0.33966 0.00000 -0.16925 0.00000
118 11D-2 0.00000 0.00000 2.08826 0.00000 0.13042
119 12D 0 0.15258 0.40755 0.00000 0.37262 0.00000
120 12D+1 0.00000 0.00000 -0.14155 0.00000 -0.01446
121 12D-1 -0.94547 0.19185 0.00000 -0.88639 0.00000
122 12D+2 -0.25003 0.83221 0.00000 -0.16498 0.00000
123 12D-2 0.00000 0.00000 1.03789 0.00000 -0.30792
124 13F 0 -0.20288 0.09860 0.00000 0.09225 0.00000
125 13F+1 0.00000 0.00000 0.12391 0.00000 -0.21519
126 13F-1 0.01703 -0.05006 0.00000 -0.28334 0.00000
127 13F+2 0.03675 0.13052 0.00000 0.00204 0.00000
128 13F-2 0.00000 0.00000 -0.10717 0.00000 0.27768
129 13F+3 0.00000 0.00000 0.26500 0.00000 -0.13875
130 13F-3 -0.27873 -0.10200 0.00000 0.13643 0.00000
131 14F 0 -0.38511 0.10129 0.00000 -0.07970 0.00000
132 14F+1 0.00000 0.00000 0.33913 0.00000 -0.20300
133 14F-1 -0.28550 -0.16897 0.00000 -0.52728 0.00000
134 14F+2 -0.44041 0.02017 0.00000 -0.42305 0.00000
135 14F-2 0.00000 0.00000 0.10798 0.00000 0.25835
136 14F+3 0.00000 0.00000 0.90316 0.00000 -0.10947
137 14F-3 -0.23384 -0.30216 0.00000 0.17100 0.00000
138 15G 0 -0.23428 -0.05882 0.00000 -0.17688 0.00000
139 15G+1 0.00000 0.00000 -0.00477 0.00000 -0.00990
140 15G-1 0.34911 -0.16983 0.00000 -0.22329 0.00000
141 15G+2 -0.14277 -0.13571 0.00000 -0.19279 0.00000
142 15G-2 0.00000 0.00000 -0.34186 0.00000 0.47870
143 15G+3 0.00000 0.00000 -0.10362 0.00000 0.27834
144 15G-3 -0.09528 0.01327 0.00000 0.06302 0.00000
145 15G+4 -0.52428 -0.22979 0.00000 0.28518 0.00000
146 15G-4 0.00000 0.00000 -0.41541 0.00000 0.23643
147 3 H 1S -0.00734 0.04515 -0.07468 0.04312 0.00000
148 2S 0.27101 0.52703 0.10325 -0.05961 0.00000
149 3S -1.00857 -3.12032 1.34407 -0.77600 0.00000
150 4S -0.16781 -2.16580 0.11049 -0.06379 0.00000
151 5S -0.05084 0.04537 0.03829 -0.02211 0.00000
152 6PX -0.31816 0.68513 -0.12012 0.17487 -0.20842
153 6PY -0.43099 -0.39556 0.17487 0.08180 -0.36099
154 6PZ -0.13420 0.22046 0.00399 -0.00230 0.00000
155 7PX 0.36753 -0.92771 0.21120 -0.00794 0.20735
156 7PY 0.72822 0.53561 -0.00794 0.20203 0.35913
157 7PZ 0.36102 -0.35761 -0.21408 0.12360 0.00000
158 8PX -0.18046 2.28683 -1.18265 -0.96566 -0.15705
159 8PY -1.35881 -1.32030 -0.96566 -2.29769 -0.27202
160 8PZ -1.21566 -0.39098 2.18363 -1.26072 0.00000
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162 9PY -0.49477 -0.57531 -0.18824 -0.46084 -0.13113
163 9PZ -0.25660 -0.15651 0.40613 -0.23448 0.00000
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167 10D+2 -0.20384 -0.01117 -0.42487 -0.68918 0.15951
168 10D-2 -0.09674 0.01934 -0.19857 -0.42487 0.09209
169 11D 0 -0.04814 0.13075 0.82052 -0.47373 0.00000
170 11D+1 0.53832 0.23353 -0.80342 0.46285 0.26897
171 11D-1 -0.25140 -0.13483 0.46285 -0.26897 0.46587
172 11D+2 0.41279 -0.16983 0.97753 1.52388 -0.11295
173 11D-2 0.11101 0.29415 0.39513 0.97753 -0.06521
174 12D 0 -0.07629 0.40755 0.32270 -0.18631 0.00000
175 12D+1 0.39965 0.16615 -0.70018 0.32253 0.00723
176 12D-1 -0.25325 -0.09593 0.32253 -0.32776 0.01252
177 12D+2 0.46282 -0.41610 0.52086 0.73717 0.26667
178 12D-2 0.41156 0.72071 0.13574 0.52086 0.15396
179 13F 0 0.10144 0.09860 0.07989 -0.04613 0.00000
180 13F+1 0.02095 -0.04335 -0.18153 0.17635 0.10760
181 13F-1 0.05331 0.02503 0.17635 0.02210 0.18636
182 13F+2 -0.02418 -0.06526 -0.04729 -0.07987 -0.24048
183 13F-2 -0.03518 0.11304 -0.02526 -0.04729 -0.13884
184 13F+3 -0.01430 0.00000 -0.13250 -0.22950 -0.13875
185 13F-3 0.13937 -0.10200 0.11815 -0.06821 0.00000
186 14F 0 0.19255 0.10129 -0.06902 0.03985 0.00000
187 14F+1 0.17513 -0.14633 -0.31068 0.37517 0.10150
188 14F-1 0.01783 0.08449 0.37517 0.12252 0.17580
189 14F+2 -0.09216 -0.01008 0.22994 -0.02478 -0.22374
190 14F-2 0.20106 0.01746 -0.29029 0.22994 -0.12918
191 14F+3 -0.36646 0.00000 -0.45158 -0.78216 -0.10947
192 14F-3 0.11692 -0.30216 0.14809 -0.08550 0.00000
193 15G 0 0.11714 -0.05882 -0.15318 0.08844 0.00000
194 15G+1 -0.10439 -0.14707 -0.16866 0.09462 0.00495
195 15G-1 0.16830 0.08491 0.09462 -0.05940 0.00857
196 15G+2 -0.08727 0.06786 -0.06455 -0.30460 -0.41457
197 15G-2 0.03204 -0.11753 -0.23006 -0.06455 -0.23935
198 15G+3 -0.04476 0.00000 0.05181 0.08974 0.27834
199 15G-3 0.04764 0.01327 0.05457 -0.03151 0.00000
200 15G+4 0.02121 0.11490 0.05639 0.38285 0.20475
201 15G-4 -0.31494 0.19901 -0.31774 -0.05639 -0.11821
202 4 H 1S -0.00734 0.04515 0.07468 0.04312 0.00000
203 2S 0.27101 0.52703 -0.10325 -0.05961 0.00000
204 3S -1.00857 -3.12032 -1.34407 -0.77600 0.00000
205 4S -0.16781 -2.16580 -0.11049 -0.06379 0.00000
206 5S -0.05084 0.04537 -0.03829 -0.02211 0.00000
207 6PX 0.31816 -0.68513 -0.12012 -0.17487 -0.20842
208 6PY -0.43099 -0.39556 -0.17487 0.08180 0.36099
209 6PZ -0.13420 0.22046 -0.00399 -0.00230 0.00000
210 7PX -0.36753 0.92771 0.21120 0.00794 0.20735
211 7PY 0.72822 0.53561 0.00794 0.20203 -0.35913
212 7PZ 0.36102 -0.35761 0.21408 0.12360 0.00000
213 8PX 0.18046 -2.28683 -1.18265 0.96566 -0.15705
214 8PY -1.35881 -1.32030 0.96566 -2.29769 0.27202
215 8PZ -1.21566 -0.39098 -2.18363 -1.26072 0.00000
216 9PX 0.02155 -0.99646 -0.24348 0.18824 -0.07571
217 9PY -0.49477 -0.57531 0.18824 -0.46084 0.13113
218 9PZ -0.25660 -0.15651 -0.40613 -0.23448 0.00000
219 10D 0 0.05070 -0.00286 0.28498 0.16453 0.00000
220 10D+1 0.24652 -0.07350 0.30502 0.17062 -0.08961
221 10D-1 0.17157 -0.04243 0.17062 0.10801 0.15521
222 10D+2 -0.20384 -0.01117 0.42487 -0.68918 -0.15951
223 10D-2 0.09674 -0.01934 -0.19857 0.42487 0.09209
224 11D 0 -0.04814 0.13075 -0.82052 -0.47373 0.00000
225 11D+1 -0.53832 -0.23353 -0.80342 -0.46285 0.26897
226 11D-1 -0.25140 -0.13483 -0.46285 -0.26897 -0.46587
227 11D+2 0.41279 -0.16983 -0.97753 1.52388 0.11295
228 11D-2 -0.11101 -0.29415 0.39513 -0.97753 -0.06521
229 12D 0 -0.07629 0.40755 -0.32270 -0.18631 0.00000
230 12D+1 -0.39965 -0.16615 -0.70018 -0.32253 0.00723
231 12D-1 -0.25325 -0.09593 -0.32253 -0.32776 -0.01252
232 12D+2 0.46282 -0.41610 -0.52086 0.73717 -0.26667
233 12D-2 -0.41156 -0.72071 0.13574 -0.52086 0.15396
234 13F 0 0.10144 0.09860 -0.07989 -0.04613 0.00000
235 13F+1 -0.02095 0.04335 -0.18153 -0.17635 0.10760
236 13F-1 0.05331 0.02503 -0.17635 0.02210 -0.18636
237 13F+2 -0.02418 -0.06526 0.04729 -0.07987 0.24048
238 13F-2 0.03518 -0.11304 -0.02526 0.04729 -0.13884
239 13F+3 0.01430 0.00000 -0.13250 0.22950 -0.13875
240 13F-3 0.13937 -0.10200 -0.11815 -0.06821 0.00000
241 14F 0 0.19255 0.10129 0.06902 0.03985 0.00000
242 14F+1 -0.17513 0.14633 -0.31068 -0.37517 0.10150
243 14F-1 0.01783 0.08449 -0.37517 0.12252 -0.17580
244 14F+2 -0.09216 -0.01008 -0.22994 -0.02478 0.22374
245 14F-2 -0.20106 -0.01746 -0.29029 -0.22994 -0.12918
246 14F+3 0.36646 0.00000 -0.45158 0.78216 -0.10947
247 14F-3 0.11692 -0.30216 -0.14809 -0.08550 0.00000
248 15G 0 0.11714 -0.05882 0.15318 0.08844 0.00000
249 15G+1 0.10439 0.14707 -0.16866 -0.09462 0.00495
250 15G-1 0.16830 0.08491 -0.09462 -0.05940 -0.00857
251 15G+2 -0.08727 0.06786 0.06455 -0.30460 0.41457
252 15G-2 -0.03204 0.11753 -0.23006 0.06455 -0.23935
253 15G+3 0.04476 0.00000 0.05181 -0.08974 0.27834
254 15G-3 0.04764 0.01327 -0.05457 -0.03151 0.00000
255 15G+4 0.02121 0.11490 -0.05639 0.38285 -0.20475
256 15G-4 0.31494 -0.19901 -0.31774 0.05639 -0.11821
236 237 238 239 240
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 17.74559 17.74559 17.99884 18.01837 18.01837
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2 2S 0.00000 0.00000 0.04535 0.00000 0.00000
3 3S 0.00000 0.00000 0.25505 0.00000 0.00000
4 4S 0.00000 0.00000 0.80533 0.00000 0.00000
5 5S 0.00000 0.00000 -4.44570 0.00000 0.00000
6 6S 0.00000 0.00000 0.82964 0.00000 0.00000
7 7PX 0.00000 -0.37147 0.00000 0.13534 0.00000
8 7PY -0.37147 0.00000 0.00000 0.00000 0.13534
9 7PZ 0.00000 0.00000 -0.33934 0.00000 0.00000
10 8PX 0.00000 1.28235 0.00000 -0.54045 0.00000
11 8PY 1.28235 0.00000 0.00000 0.00000 -0.54045
12 8PZ 0.00000 0.00000 1.40413 0.00000 0.00000
13 9PX 0.00000 -2.71569 0.00000 0.97083 0.00000
14 9PY -2.71569 0.00000 0.00000 0.00000 0.97083
15 9PZ 0.00000 0.00000 -3.18451 0.00000 0.00000
16 10PX 0.00000 -2.29183 0.00000 0.04591 0.00000
17 10PY -2.29183 0.00000 0.00000 0.00000 0.04591
18 10PZ 0.00000 0.00000 -0.69969 0.00000 0.00000
19 11PX 0.00000 -0.28425 0.00000 -0.08186 0.00000
20 11PY -0.28425 0.00000 0.00000 0.00000 -0.08186
21 11PZ 0.00000 0.00000 -0.25249 0.00000 0.00000
22 12D 0 0.00000 0.00000 1.15456 0.00000 0.00000
23 12D+1 0.00000 0.35211 0.00000 -0.73644 0.00000
24 12D-1 0.35211 0.00000 0.00000 0.00000 -0.73644
25 12D+2 0.09869 0.00000 0.00000 0.00000 0.70405
26 12D-2 0.00000 0.09869 0.00000 0.70405 0.00000
27 13D 0 0.00000 0.00000 -1.67431 0.00000 0.00000
28 13D+1 0.00000 -0.44770 0.00000 1.20180 0.00000
29 13D-1 -0.44770 0.00000 0.00000 0.00000 1.20180
30 13D+2 -0.08999 0.00000 0.00000 0.00000 -1.28113
31 13D-2 0.00000 -0.08999 0.00000 -1.28113 0.00000
32 14D 0 0.00000 0.00000 4.46732 0.00000 0.00000
33 14D+1 0.00000 2.40526 0.00000 -3.06796 0.00000
34 14D-1 2.40526 0.00000 0.00000 0.00000 -3.06796
35 14D+2 1.46577 0.00000 0.00000 0.00000 4.07680
36 14D-2 0.00000 1.46577 0.00000 4.07680 0.00000
37 15D 0 0.00000 0.00000 0.70159 0.00000 0.00000
38 15D+1 0.00000 1.08189 0.00000 -0.38106 0.00000
39 15D-1 1.08189 0.00000 0.00000 0.00000 -0.38106
40 15D+2 0.78949 0.00000 0.00000 0.00000 0.57134
41 15D-2 0.00000 0.78949 0.00000 0.57134 0.00000
42 16F 0 0.00000 0.00000 -0.28864 0.00000 0.00000
43 16F+1 0.00000 -0.43119 0.00000 -0.61234 0.00000
44 16F-1 -0.43119 0.00000 0.00000 0.00000 -0.61234
45 16F+2 -0.20730 0.00000 0.00000 0.00000 0.08830
46 16F-2 0.00000 -0.20730 0.00000 0.08830 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 -0.37780 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.37523 0.00000 0.00000
50 17F+1 0.00000 0.07158 0.00000 1.35564 0.00000
51 17F-1 0.07158 0.00000 0.00000 0.00000 1.35564
52 17F+2 -0.50113 0.00000 0.00000 0.00000 -0.21976
53 17F-2 0.00000 -0.50113 0.00000 -0.21976 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 1.26885 0.00000 0.00000
56 18F 0 0.00000 0.00000 -0.19055 0.00000 0.00000
57 18F+1 0.00000 -0.43184 0.00000 0.88093 0.00000
58 18F-1 -0.43184 0.00000 0.00000 0.00000 0.88093
59 18F+2 -0.69943 0.00000 0.00000 0.00000 -0.17304
60 18F-2 0.00000 -0.69943 0.00000 -0.17304 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 1.18968 0.00000 0.00000
63 19G 0 0.00000 0.00000 -0.12216 0.00000 0.00000
64 19G+1 0.00000 0.10658 0.00000 -0.05339 0.00000
65 19G-1 0.10658 0.00000 0.00000 0.00000 -0.05339
66 19G+2 0.39968 0.00000 0.00000 0.00000 -0.14916
67 19G-2 0.00000 0.39968 0.00000 -0.14916 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.07839 0.00000 0.00000
70 19G+4 0.33100 0.00000 0.00000 0.00000 0.17771
71 19G-4 0.00000 -0.33100 0.00000 -0.17771 0.00000
72 20G 0 0.00000 0.00000 -1.09494 0.00000 0.00000
73 20G+1 0.00000 -0.20708 0.00000 -0.13037 0.00000
74 20G-1 -0.20708 0.00000 0.00000 0.00000 -0.13037
75 20G+2 -0.04162 0.00000 0.00000 0.00000 -0.97911
76 20G-2 0.00000 -0.04162 0.00000 -0.97911 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.18574 0.00000 0.00000
79 20G+4 -0.64928 0.00000 0.00000 0.00000 0.79874
80 20G-4 0.00000 0.64928 0.00000 -0.79874 0.00000
81 21H 0 0.00000 0.00000 0.25933 0.00000 0.00000
82 21H+1 0.00000 -0.14963 0.00000 -0.27874 0.00000
83 21H-1 -0.14963 0.00000 0.00000 0.00000 -0.27874
84 21H+2 -0.05446 0.00000 0.00000 0.00000 0.54432
85 21H-2 0.00000 -0.05446 0.00000 0.54432 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 -0.65235 0.00000 0.00000
88 21H+4 0.11203 0.00000 0.00000 0.00000 -0.61341
89 21H-4 0.00000 -0.11203 0.00000 0.61341 0.00000
90 21H+5 0.00000 -0.24566 0.00000 0.43060 0.00000
91 21H-5 0.24566 0.00000 0.00000 0.00000 -0.43060
92 2 H 1S -0.16704 0.00000 -0.17693 0.00000 -0.05835
93 2S 0.46233 0.00000 0.37555 0.00000 -0.05591
94 3S 4.48085 0.00000 1.96496 0.00000 0.69453
95 4S 1.32214 0.00000 -0.65680 0.00000 0.13230
96 5S 0.08360 0.00000 0.05157 0.00000 0.06307
97 6PX 0.00000 -0.58144 0.00000 0.54226 0.00000
98 6PY 0.13193 0.00000 0.09076 0.00000 -0.07558
99 6PZ -0.90299 0.00000 -0.59535 0.00000 -0.55929
100 7PX 0.00000 0.99856 0.00000 -0.86525 0.00000
101 7PY -0.19667 0.00000 -0.11301 0.00000 0.20350
102 7PZ 1.48580 0.00000 0.84873 0.00000 0.77609
103 8PX 0.00000 -0.68182 0.00000 -1.67628 0.00000
104 8PY -2.53639 0.00000 -0.06017 0.00000 0.43462
105 8PZ -0.87755 0.00000 1.81349 0.00000 1.79055
106 9PX 0.00000 -0.07630 0.00000 -0.26304 0.00000
107 9PY -0.82145 0.00000 0.28084 0.00000 0.03110
108 9PZ -0.01648 0.00000 0.30625 0.00000 0.38863
109 10D 0 0.24197 0.00000 -0.03363 0.00000 0.05095
110 10D+1 0.00000 0.05165 0.00000 -0.01143 0.00000
111 10D-1 -0.06546 0.00000 0.12202 0.00000 0.09473
112 10D+2 0.28815 0.00000 0.09787 0.00000 0.00602
113 10D-2 0.00000 -0.23841 0.00000 0.06447 0.00000
114 11D 0 -0.44523 0.00000 0.68735 0.00000 0.54384
115 11D+1 0.00000 0.10193 0.00000 -0.63493 0.00000
116 11D-1 -0.07923 0.00000 -1.02111 0.00000 -1.03984
117 11D+2 -0.72946 0.00000 0.12036 0.00000 0.51143
118 11D-2 0.00000 0.10610 0.00000 1.03519 0.00000
119 12D 0 -0.63641 0.00000 0.47390 0.00000 0.43301
120 12D+1 0.00000 -0.18179 0.00000 -0.23933 0.00000
121 12D-1 0.56009 0.00000 -0.42643 0.00000 -0.54814
122 12D+2 -0.43623 0.00000 0.33420 0.00000 0.25851
123 12D-2 0.00000 0.38477 0.00000 0.61164 0.00000
124 13F 0 -0.03422 0.00000 -0.05632 0.00000 -0.14306
125 13F+1 0.00000 0.06211 0.00000 -0.02085 0.00000
126 13F-1 0.01769 0.00000 -0.27677 0.00000 -0.22693
127 13F+2 0.05462 0.00000 -0.13699 0.00000 -0.16481
128 13F-2 0.00000 -0.08574 0.00000 0.33694 0.00000
129 13F+3 0.00000 -0.01655 0.00000 0.25161 0.00000
130 13F-3 0.07179 0.00000 -0.03562 0.00000 -0.25631
131 14F 0 0.14919 0.00000 -0.03994 0.00000 -0.16128
132 14F+1 0.00000 0.10862 0.00000 -0.06991 0.00000
133 14F-1 0.52796 0.00000 -0.34506 0.00000 -0.28608
134 14F+2 0.17020 0.00000 -0.14983 0.00000 -0.14133
135 14F-2 0.00000 0.13494 0.00000 0.22851 0.00000
136 14F+3 0.00000 0.29884 0.00000 0.24553 0.00000
137 14F-3 0.14708 0.00000 -0.12821 0.00000 -0.19474
138 15G 0 0.22884 0.00000 -0.01332 0.00000 -0.00394
139 15G+1 0.00000 0.11491 0.00000 0.01921 0.00000
140 15G-1 0.01455 0.00000 -0.01364 0.00000 0.18021
141 15G+2 0.33752 0.00000 -0.02636 0.00000 0.06306
142 15G-2 0.00000 -0.15784 0.00000 0.12025 0.00000
143 15G+3 0.00000 0.12065 0.00000 0.05844 0.00000
144 15G-3 -0.13333 0.00000 0.02147 0.00000 -0.02779
145 15G+4 0.07213 0.00000 0.08455 0.00000 -0.18929
146 15G-4 0.00000 -0.27556 0.00000 0.10591 0.00000
147 3 H 1S 0.08352 -0.14466 -0.17693 -0.05053 0.02918
148 2S -0.23117 0.40039 0.37555 -0.04842 0.02796
149 3S -2.24043 3.88053 1.96496 0.60148 -0.34726
150 4S -0.66107 1.14501 -0.65680 0.11457 -0.06615
151 5S -0.04180 0.07240 0.05157 0.05462 -0.03154
152 6PX -0.30890 -0.04641 0.07860 0.07888 0.26754
153 6PY -0.40310 -0.30890 -0.04538 0.26754 0.38780
154 6PZ 0.45150 -0.78201 -0.59535 -0.48436 0.27964
155 7PX 0.51755 0.10214 -0.09787 -0.06369 -0.46278
156 7PY 0.69976 0.51755 0.05650 -0.46278 -0.59806
157 7PZ -0.74290 1.28674 0.84873 0.67212 -0.38805
158 8PX 0.80306 -2.07275 -0.05211 -0.09310 -0.91405
159 8PY -1.14546 0.80306 0.03008 -0.91405 -1.14856
160 8PZ 0.43877 -0.75998 1.81349 1.55067 -0.89528
161 9PX 0.32266 -0.63516 0.24321 -0.04243 -0.12737
162 9PY -0.26259 0.32266 -0.14042 -0.12737 -0.18950
163 9PZ 0.00824 -0.01427 0.30625 0.33657 -0.19432
164 10D 0 -0.12098 0.20955 -0.03363 0.04412 -0.02547
165 10D+1 0.05071 -0.03618 0.10567 0.06819 -0.04597
166 10D-1 0.02237 0.05071 -0.06101 -0.04597 0.01511
167 10D+2 -0.10677 -0.22801 -0.04894 0.02531 0.04986
168 10D-2 -0.22801 0.15651 0.08476 0.02063 0.02531
169 11D 0 0.22262 -0.38558 0.68735 0.47098 -0.27192
170 11D+1 0.07844 -0.03394 -0.88431 -0.93861 0.17533
171 11D-1 0.05664 0.07844 0.51056 0.17533 -0.73616
172 11D+2 -0.10279 0.36181 -0.06018 0.22679 0.90425
173 11D-2 0.36181 -0.52057 0.10423 0.64237 0.22679
174 12D 0 0.31821 -0.55115 0.47390 0.37500 -0.21650
175 12D+1 -0.32124 0.37462 -0.36930 -0.47094 0.13372
176 12D-1 0.00368 -0.32124 0.21322 0.13372 -0.31653
177 12D+2 0.17952 0.35550 -0.16710 0.15291 0.52336
178 12D-2 0.35550 -0.23098 0.28943 0.34680 0.15291
179 13F 0 0.01711 -0.02964 -0.05632 -0.12390 0.07153
180 13F+1 0.01924 0.02880 -0.23969 -0.17541 0.08923
181 13F-1 0.05101 0.01924 0.13838 0.08923 -0.07237
182 13F+2 -0.05065 -0.06078 0.06849 0.21726 0.21150
183 13F-2 -0.06078 0.01953 -0.11864 -0.03937 0.21726
184 13F+3 0.01433 0.00827 0.00000 -0.12580 -0.21790
185 13F-3 -0.03589 0.06217 -0.03562 -0.22197 0.12815
186 14F 0 -0.07459 0.12920 -0.03994 -0.13967 0.08064
187 14F+1 -0.18158 0.42313 -0.29883 -0.23204 0.09360
188 14F-1 0.21346 -0.18158 0.17253 0.09360 -0.12395
189 14F+2 0.14375 -0.01527 0.07491 0.16014 0.13605
190 14F-2 -0.01527 0.16138 -0.12975 -0.04887 0.16014
191 14F+3 -0.25880 -0.14942 0.00000 -0.12277 -0.21264
192 14F-3 -0.07354 0.12738 -0.12821 -0.16865 0.09737
193 15G 0 -0.11442 0.19818 -0.01332 -0.00341 0.00197
194 15G+1 0.04345 0.03964 -0.01181 0.13996 -0.06972
195 15G-1 0.08982 0.04345 0.00682 -0.06972 0.05946
196 15G+2 -0.03400 -0.21450 0.01318 0.02476 0.10595
197 15G-2 -0.21450 0.21368 -0.02283 0.07736 0.02476
198 15G+3 -0.10449 -0.06033 0.00000 -0.02922 -0.05061
199 15G-3 0.06667 -0.11547 0.02147 -0.02407 0.01390
200 15G+4 0.22470 0.08809 -0.04227 0.03611 -0.12675
201 15G-4 -0.08809 -0.12299 -0.07322 0.16845 -0.03611
202 4 H 1S 0.08352 0.14466 -0.17693 0.05053 0.02918
203 2S -0.23117 -0.40039 0.37555 0.04842 0.02796
204 3S -2.24043 -3.88053 1.96496 -0.60148 -0.34726
205 4S -0.66107 -1.14501 -0.65680 -0.11457 -0.06615
206 5S -0.04180 -0.07240 0.05157 -0.05462 -0.03154
207 6PX 0.30890 -0.04641 -0.07860 0.07888 -0.26754
208 6PY -0.40310 0.30890 -0.04538 -0.26754 0.38780
209 6PZ 0.45150 0.78201 -0.59535 0.48436 0.27964
210 7PX -0.51755 0.10214 0.09787 -0.06369 0.46278
211 7PY 0.69976 -0.51755 0.05650 0.46278 -0.59806
212 7PZ -0.74290 -1.28674 0.84873 -0.67212 -0.38805
213 8PX -0.80306 -2.07275 0.05211 -0.09310 0.91405
214 8PY -1.14546 -0.80306 0.03008 0.91405 -1.14856
215 8PZ 0.43877 0.75998 1.81349 -1.55067 -0.89528
216 9PX -0.32266 -0.63516 -0.24321 -0.04243 0.12737
217 9PY -0.26259 -0.32266 -0.14042 0.12737 -0.18950
218 9PZ 0.00824 0.01427 0.30625 -0.33657 -0.19432
219 10D 0 -0.12098 -0.20955 -0.03363 -0.04412 -0.02547
220 10D+1 -0.05071 -0.03618 -0.10567 0.06819 0.04597
221 10D-1 0.02237 -0.05071 -0.06101 0.04597 0.01511
222 10D+2 -0.10677 0.22801 -0.04894 -0.02531 0.04986
223 10D-2 0.22801 0.15651 -0.08476 0.02063 -0.02531
224 11D 0 0.22262 0.38558 0.68735 -0.47098 -0.27192
225 11D+1 -0.07844 -0.03394 0.88431 -0.93861 -0.17533
226 11D-1 0.05664 -0.07844 0.51056 -0.17533 -0.73616
227 11D+2 -0.10279 -0.36181 -0.06018 -0.22679 0.90425
228 11D-2 -0.36181 -0.52057 -0.10423 0.64237 -0.22679
229 12D 0 0.31821 0.55115 0.47390 -0.37500 -0.21650
230 12D+1 0.32124 0.37462 0.36930 -0.47094 -0.13372
231 12D-1 0.00368 0.32124 0.21322 -0.13372 -0.31653
232 12D+2 0.17952 -0.35550 -0.16710 -0.15291 0.52336
233 12D-2 -0.35550 -0.23098 -0.28943 0.34680 -0.15291
234 13F 0 0.01711 0.02964 -0.05632 0.12390 0.07153
235 13F+1 -0.01924 0.02880 0.23969 -0.17541 -0.08923
236 13F-1 0.05101 -0.01924 0.13838 -0.08923 -0.07237
237 13F+2 -0.05065 0.06078 0.06849 -0.21726 0.21150
238 13F-2 0.06078 0.01953 0.11864 -0.03937 -0.21726
239 13F+3 -0.01433 0.00827 0.00000 -0.12580 0.21790
240 13F-3 -0.03589 -0.06217 -0.03562 0.22197 0.12815
241 14F 0 -0.07459 -0.12920 -0.03994 0.13967 0.08064
242 14F+1 0.18158 0.42313 0.29883 -0.23204 -0.09360
243 14F-1 0.21346 0.18158 0.17253 -0.09360 -0.12395
244 14F+2 0.14375 0.01527 0.07491 -0.16014 0.13605
245 14F-2 0.01527 0.16138 0.12975 -0.04887 -0.16014
246 14F+3 0.25880 -0.14942 0.00000 -0.12277 0.21264
247 14F-3 -0.07354 -0.12738 -0.12821 0.16865 0.09737
248 15G 0 -0.11442 -0.19818 -0.01332 0.00341 0.00197
249 15G+1 -0.04345 0.03964 0.01181 0.13996 0.06972
250 15G-1 0.08982 -0.04345 0.00682 0.06972 0.05946
251 15G+2 -0.03400 0.21450 0.01318 -0.02476 0.10595
252 15G-2 0.21450 0.21368 0.02283 0.07736 -0.02476
253 15G+3 0.10449 -0.06033 0.00000 -0.02922 0.05061
254 15G-3 0.06667 0.11547 0.02147 0.02407 0.01390
255 15G+4 0.22470 -0.08809 -0.04227 -0.03611 -0.12675
256 15G-4 0.08809 -0.12299 0.07322 0.16845 0.03611
241 242 243 244 245
(A2)--V (E)--V (E)--V (E)--V (E)--V
Eigenvalues -- 18.40468 18.63961 18.63961 20.68229 20.68229
1 1 N 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 0.00000 -0.27927 -0.05699 0.00000
8 7PY 0.00000 -0.27927 0.00000 0.00000 -0.05699
9 7PZ 0.00000 0.00000 0.00000 0.00000 0.00000
10 8PX 0.00000 0.00000 0.61000 -0.80361 0.00000
11 8PY 0.00000 0.61000 0.00000 0.00000 -0.80361
12 8PZ 0.00000 0.00000 0.00000 0.00000 0.00000
13 9PX 0.00000 0.00000 -0.01555 4.58434 0.00000
14 9PY 0.00000 -0.01555 0.00000 0.00000 4.58434
15 9PZ 0.00000 0.00000 0.00000 0.00000 0.00000
16 10PX 0.00000 0.00000 3.87133 0.80828 0.00000
17 10PY 0.00000 3.87133 0.00000 0.00000 0.80828
18 10PZ 0.00000 0.00000 0.00000 0.00000 0.00000
19 11PX 0.00000 0.00000 0.27795 0.00607 0.00000
20 11PY 0.00000 0.27795 0.00000 0.00000 0.00607
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 -0.65554 -0.37870 0.00000
24 12D-1 0.00000 -0.65554 0.00000 0.00000 -0.37870
25 12D+2 0.00000 -0.56223 0.00000 0.00000 -0.06135
26 12D-2 0.00000 0.00000 -0.56223 -0.06135 0.00000
27 13D 0 0.00000 0.00000 0.00000 0.00000 0.00000
28 13D+1 0.00000 0.00000 0.72822 0.29598 0.00000
29 13D-1 0.00000 0.72822 0.00000 0.00000 0.29598
30 13D+2 0.00000 0.63567 0.00000 0.00000 -0.09333
31 13D-2 0.00000 0.00000 0.63567 -0.09333 0.00000
32 14D 0 0.00000 0.00000 0.00000 0.00000 0.00000
33 14D+1 0.00000 0.00000 -0.98048 1.73051 0.00000
34 14D-1 0.00000 -0.98048 0.00000 0.00000 1.73051
35 14D+2 0.00000 -1.42162 0.00000 0.00000 1.06676
36 14D-2 0.00000 0.00000 -1.42162 1.06676 0.00000
37 15D 0 0.00000 0.00000 0.00000 0.00000 0.00000
38 15D+1 0.00000 0.00000 -1.33294 0.38497 0.00000
39 15D-1 0.00000 -1.33294 0.00000 0.00000 0.38497
40 15D+2 0.00000 -1.34398 0.00000 0.00000 0.29334
41 15D-2 0.00000 0.00000 -1.34398 0.29334 0.00000
42 16F 0 0.00000 0.00000 0.00000 0.00000 0.00000
43 16F+1 0.00000 0.00000 -0.26713 0.47887 0.00000
44 16F-1 0.00000 -0.26713 0.00000 0.00000 0.47887
45 16F+2 0.00000 -0.16584 0.00000 0.00000 0.51709
46 16F-2 0.00000 0.00000 -0.16584 0.51709 0.00000
47 16F+3 -0.63872 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 0.00000 0.00000 0.00000 0.00000
49 17F 0 0.00000 0.00000 0.00000 0.00000 0.00000
50 17F+1 0.00000 0.00000 0.17223 -2.55461 0.00000
51 17F-1 0.00000 0.17223 0.00000 0.00000 -2.55461
52 17F+2 0.00000 0.45105 0.00000 0.00000 -2.22103
53 17F-2 0.00000 0.00000 0.45105 -2.22103 0.00000
54 17F+3 -0.26411 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 0.00000 0.00000 0.00000 0.00000
56 18F 0 0.00000 0.00000 0.00000 0.00000 0.00000
57 18F+1 0.00000 0.00000 0.35988 -1.02849 0.00000
58 18F-1 0.00000 0.35988 0.00000 0.00000 -1.02849
59 18F+2 0.00000 1.07537 0.00000 0.00000 -0.97681
60 18F-2 0.00000 0.00000 1.07537 -0.97681 0.00000
61 18F+3 0.33895 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 0.00000 0.00000 0.00000 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00000 0.00000 0.03430 0.24463 0.00000
65 19G-1 0.00000 0.03430 0.00000 0.00000 0.24463
66 19G+2 0.00000 0.13168 0.00000 0.00000 0.67225
67 19G-2 0.00000 0.00000 0.13168 0.67225 0.00000
68 19G+3 0.65376 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.00000 0.00000 0.00000 0.00000
70 19G+4 0.00000 0.13787 0.00000 0.00000 0.64941
71 19G-4 0.00000 0.00000 -0.13787 -0.64941 0.00000
72 20G 0 0.00000 0.00000 0.00000 0.00000 0.00000
73 20G+1 0.00000 0.00000 -0.10554 0.32090 0.00000
74 20G-1 0.00000 -0.10554 0.00000 0.00000 0.32090
75 20G+2 0.00000 -0.63028 0.00000 0.00000 1.06749
76 20G-2 0.00000 0.00000 -0.63028 1.06749 0.00000
77 20G+3 -0.99174 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 0.00000 0.00000 0.00000 0.00000
79 20G+4 0.00000 -0.46108 0.00000 0.00000 1.17248
80 20G-4 0.00000 0.00000 0.46108 -1.17248 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 -0.00975 0.44394 0.00000
83 21H-1 0.00000 -0.00975 0.00000 0.00000 0.44394
84 21H+2 0.00000 0.17202 0.00000 0.00000 -0.16826
85 21H-2 0.00000 0.00000 0.17202 -0.16826 0.00000
86 21H+3 0.49724 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00000 0.34956 0.00000 0.00000 -0.43276
89 21H-4 0.00000 0.00000 -0.34956 0.43276 0.00000
90 21H+5 0.00000 0.00000 0.19673 0.02897 0.00000
91 21H-5 0.00000 -0.19673 0.00000 0.00000 -0.02897
92 2 H 1S 0.00000 0.27940 0.00000 0.00000 -0.01736
93 2S 0.00000 -0.29653 0.00000 0.00000 -0.12790
94 3S 0.00000 -3.72914 0.00000 0.00000 0.29017
95 4S 0.00000 -1.22296 0.00000 0.00000 -0.11889
96 5S 0.00000 -0.06201 0.00000 0.00000 0.04243
97 6PX -0.69083 0.00000 -0.39500 0.43819 0.00000
98 6PY 0.00000 -1.06259 0.00000 0.00000 0.29294
99 6PZ 0.00000 0.06405 0.00000 0.00000 0.62541
100 7PX 1.32002 0.00000 0.65861 -0.64997 0.00000
101 7PY 0.00000 1.35777 0.00000 0.00000 -0.33254
102 7PZ 0.00000 0.17301 0.00000 0.00000 -0.93145
103 8PX -0.97010 0.00000 0.25905 -1.95951 0.00000
104 8PY 0.00000 0.53005 0.00000 0.00000 -1.11627
105 8PZ 0.00000 0.03683 0.00000 0.00000 -2.67676
106 9PX -0.32153 0.00000 -0.13312 -0.30242 0.00000
107 9PY 0.00000 0.42622 0.00000 0.00000 -0.12261
108 9PZ 0.00000 -0.23394 0.00000 0.00000 -0.43116
109 10D 0 0.00000 0.01298 0.00000 0.00000 0.21904
110 10D+1 0.12592 0.00000 0.08774 0.07164 0.00000
111 10D-1 0.00000 -0.29817 0.00000 0.00000 -0.18898
112 10D+2 0.00000 -0.17336 0.00000 0.00000 0.14564
113 10D-2 -0.32617 0.00000 0.01905 -0.18387 0.00000
114 11D 0 0.00000 0.32844 0.00000 0.00000 -1.61189
115 11D+1 -0.30060 0.00000 -0.11729 -0.59631 0.00000
116 11D-1 0.00000 0.21028 0.00000 0.00000 1.72053
117 11D+2 0.00000 0.43904 0.00000 0.00000 -0.83066
118 11D-2 0.12804 0.00000 -0.47251 1.52164 0.00000
119 12D 0 0.00000 -0.23507 0.00000 0.00000 -0.66377
120 12D+1 -0.09066 0.00000 0.13289 -0.31841 0.00000
121 12D-1 0.00000 -0.17257 0.00000 0.00000 0.78697
122 12D+2 0.00000 -0.23998 0.00000 0.00000 -0.34462
123 12D-2 0.83256 0.00000 0.17127 0.66912 0.00000
124 13F 0 0.00000 0.02034 0.00000 0.00000 0.11586
125 13F+1 -0.15577 0.00000 -0.07918 0.03290 0.00000
126 13F-1 0.00000 -0.12273 0.00000 0.00000 0.73704
127 13F+2 0.00000 -0.00668 0.00000 0.00000 0.39680
128 13F-2 0.17777 0.00000 0.07952 0.26894 0.00000
129 13F+3 -0.12598 0.00000 -0.17484 0.45700 0.00000
130 13F-3 0.00000 0.02142 0.00000 0.00000 0.18423
131 14F 0 0.00000 0.07487 0.00000 0.00000 0.09695
132 14F+1 0.06244 0.00000 -0.03556 0.04434 0.00000
133 14F-1 0.00000 0.20764 0.00000 0.00000 0.86510
134 14F+2 0.00000 -0.03702 0.00000 0.00000 0.42900
135 14F-2 0.26107 0.00000 0.03209 0.36147 0.00000
136 14F+3 0.55435 0.00000 0.05663 0.54026 0.00000
137 14F-3 0.00000 -0.00082 0.00000 0.00000 0.27313
138 15G 0 0.00000 0.16298 0.00000 0.00000 0.38192
139 15G+1 0.02590 0.00000 0.02671 0.04990 0.00000
140 15G-1 0.00000 -0.06450 0.00000 0.00000 0.07373
141 15G+2 0.00000 0.14285 0.00000 0.00000 0.51446
142 15G-2 0.10341 0.00000 0.12673 -0.00137 0.00000
143 15G+3 0.36368 0.00000 0.15596 0.22937 0.00000
144 15G-3 0.00000 0.00943 0.00000 0.00000 -0.24722
145 15G+4 0.00000 -0.00460 0.00000 0.00000 0.09943
146 15G-4 -0.28532 0.00000 -0.00641 -0.32444 0.00000
147 3 H 1S 0.00000 -0.13970 0.24197 -0.01503 0.00868
148 2S 0.00000 0.14827 -0.25681 -0.11077 0.06395
149 3S 0.00000 1.86457 -3.22953 0.25129 -0.14508
150 4S 0.00000 0.61148 -1.05911 -0.10296 0.05944
151 5S 0.00000 0.03101 -0.05370 0.03675 -0.02122
152 6PX 0.34542 0.28908 -0.89569 0.32925 0.06290
153 6PY 0.59828 -0.56190 0.28908 0.06290 0.40188
154 6PZ 0.00000 -0.03203 0.05547 0.54162 -0.31271
155 7PX -0.66001 -0.30275 1.18298 -0.41190 -0.13745
156 7PY -1.14317 0.83340 -0.30275 -0.13745 -0.57061
157 7PZ 0.00000 -0.08650 0.14983 -0.80666 0.46572
158 8PX 0.48505 -0.11735 0.46230 -1.32708 -0.36513
159 8PY 0.84013 0.32680 -0.11735 -0.36513 -1.74870
160 8PZ 0.00000 -0.01842 0.03190 -2.31814 1.33838
161 9PX 0.16076 -0.24220 0.28638 -0.16757 -0.07786
162 9PY 0.27845 0.00671 -0.24220 -0.07786 -0.25747
163 9PZ 0.00000 0.11697 -0.20260 -0.37340 0.21558
164 10D 0 0.00000 -0.00649 0.01124 0.18969 -0.10952
165 10D+1 -0.06296 0.16710 -0.20169 -0.12383 0.11285
166 10D-1 -0.10905 -0.00873 0.16710 0.11285 0.00648
167 10D+2 0.28247 -0.02905 0.08332 -0.14268 -0.10149
168 10D-2 0.16308 0.08332 -0.12526 0.06326 -0.14268
169 11D 0 0.00000 -0.16422 0.28443 -1.39594 0.80594
170 11D+1 0.15030 -0.14184 0.12839 1.14132 -1.00322
171 11D-1 0.26033 -0.03540 -0.14184 -1.00322 -0.01710
172 11D+2 -0.11088 -0.24462 -0.39471 1.01857 0.93356
173 11D-2 -0.06402 -0.39471 0.21115 -0.24258 1.01857
174 12D 0 0.00000 0.11753 -0.20358 -0.57484 0.33188
175 12D+1 0.04533 0.13227 -0.09620 0.51062 -0.47865
176 12D-1 0.07851 0.05653 0.13227 -0.47865 -0.04207
177 12D+2 -0.72101 0.06846 0.17808 0.43896 0.41568
178 12D-2 -0.41628 0.17808 -0.13717 -0.09119 0.43896
179 13F 0 0.00000 -0.01017 0.01762 0.10034 -0.05793
180 13F+1 0.07789 0.01886 -0.11184 0.56101 -0.30490
181 13F-1 0.13490 -0.09006 0.01886 -0.30490 0.20894
182 13F+2 -0.15395 0.05797 0.03733 -0.05536 0.30091
183 13F-2 -0.08888 0.03733 0.01487 0.36483 -0.05536
184 13F+3 -0.12598 0.15142 0.08742 -0.22850 -0.39577
185 13F-3 0.00000 -0.01071 0.01855 0.15954 -0.09211
186 14F 0 0.00000 -0.03744 0.06484 0.08396 -0.04848
187 14F+1 -0.03122 -0.10531 0.14684 0.65991 -0.35540
188 14F-1 -0.05408 0.02524 -0.10531 -0.35540 0.24953
189 14F+2 -0.22609 0.01481 0.02993 -0.02924 0.37835
190 14F-2 -0.13054 0.02993 -0.01974 0.41212 -0.02924
191 14F+3 0.55435 -0.04904 -0.02831 -0.27013 -0.46788
192 14F-3 0.00000 0.00041 -0.00071 0.23654 -0.13656
193 15G 0 0.00000 -0.08149 0.14115 0.33075 -0.19096
194 15G+1 -0.01295 0.03949 -0.04170 0.06777 -0.01032
195 15G-1 -0.02243 0.00391 0.03949 -0.01032 0.05586
196 15G+2 -0.08955 0.13076 -0.00698 -0.22336 0.12759
197 15G-2 -0.05170 -0.00698 0.13882 0.38550 -0.22336
198 15G+3 0.36368 -0.13507 -0.07798 -0.11468 -0.19864
199 15G-3 0.00000 -0.00471 0.00816 -0.21410 0.12361
200 15G+4 -0.24710 0.00366 0.00477 0.09743 0.26819
201 15G-4 0.14266 -0.00477 0.00184 -0.15568 -0.09743
202 4 H 1S 0.00000 -0.13970 -0.24197 0.01503 0.00868
203 2S 0.00000 0.14827 0.25681 0.11077 0.06395
204 3S 0.00000 1.86457 3.22953 -0.25129 -0.14508
205 4S 0.00000 0.61148 1.05911 0.10296 0.05944
206 5S 0.00000 0.03101 0.05370 -0.03675 -0.02122
207 6PX 0.34542 -0.28908 -0.89569 0.32925 -0.06290
208 6PY -0.59828 -0.56190 -0.28908 -0.06290 0.40188
209 6PZ 0.00000 -0.03203 -0.05547 -0.54162 -0.31271
210 7PX -0.66001 0.30275 1.18298 -0.41190 0.13745
211 7PY 1.14317 0.83340 0.30275 0.13745 -0.57061
212 7PZ 0.00000 -0.08650 -0.14983 0.80666 0.46572
213 8PX 0.48505 0.11735 0.46230 -1.32708 0.36513
214 8PY -0.84013 0.32680 0.11735 0.36513 -1.74870
215 8PZ 0.00000 -0.01842 -0.03190 2.31814 1.33838
216 9PX 0.16076 0.24220 0.28638 -0.16757 0.07786
217 9PY -0.27845 0.00671 0.24220 0.07786 -0.25747
218 9PZ 0.00000 0.11697 0.20260 0.37340 0.21558
219 10D 0 0.00000 -0.00649 -0.01124 -0.18969 -0.10952
220 10D+1 -0.06296 -0.16710 -0.20169 -0.12383 -0.11285
221 10D-1 0.10905 -0.00873 -0.16710 -0.11285 0.00648
222 10D+2 -0.28247 -0.02905 -0.08332 0.14268 -0.10149
223 10D-2 0.16308 -0.08332 -0.12526 0.06326 0.14268
224 11D 0 0.00000 -0.16422 -0.28443 1.39594 0.80594
225 11D+1 0.15030 0.14184 0.12839 1.14132 1.00322
226 11D-1 -0.26033 -0.03540 0.14184 1.00322 -0.01710
227 11D+2 0.11088 -0.24462 0.39471 -1.01857 0.93356
228 11D-2 -0.06402 0.39471 0.21115 -0.24258 -1.01857
229 12D 0 0.00000 0.11753 0.20358 0.57484 0.33188
230 12D+1 0.04533 -0.13227 -0.09620 0.51062 0.47865
231 12D-1 -0.07851 0.05653 -0.13227 0.47865 -0.04207
232 12D+2 0.72101 0.06846 -0.17808 -0.43896 0.41568
233 12D-2 -0.41628 -0.17808 -0.13717 -0.09119 -0.43896
234 13F 0 0.00000 -0.01017 -0.01762 -0.10034 -0.05793
235 13F+1 0.07789 -0.01886 -0.11184 0.56101 0.30490
236 13F-1 -0.13490 -0.09006 -0.01886 0.30490 0.20894
237 13F+2 0.15395 0.05797 -0.03733 0.05536 0.30091
238 13F-2 -0.08888 -0.03733 0.01487 0.36483 0.05536
239 13F+3 -0.12598 -0.15142 0.08742 -0.22850 0.39577
240 13F-3 0.00000 -0.01071 -0.01855 -0.15954 -0.09211
241 14F 0 0.00000 -0.03744 -0.06484 -0.08396 -0.04848
242 14F+1 -0.03122 0.10531 0.14684 0.65991 0.35540
243 14F-1 0.05408 0.02524 0.10531 0.35540 0.24953
244 14F+2 0.22609 0.01481 -0.02993 0.02924 0.37835
245 14F-2 -0.13054 -0.02993 -0.01974 0.41212 0.02924
246 14F+3 0.55435 0.04904 -0.02831 -0.27013 0.46788
247 14F-3 0.00000 0.00041 0.00071 -0.23654 -0.13656
248 15G 0 0.00000 -0.08149 -0.14115 -0.33075 -0.19096
249 15G+1 -0.01295 -0.03949 -0.04170 0.06777 0.01032
250 15G-1 0.02243 0.00391 -0.03949 0.01032 0.05586
251 15G+2 0.08955 0.13076 0.00698 0.22336 0.12759
252 15G-2 -0.05170 0.00698 0.13882 0.38550 0.22336
253 15G+3 0.36368 0.13507 -0.07798 -0.11468 0.19864
254 15G-3 0.00000 -0.00471 -0.00816 0.21410 0.12361
255 15G+4 0.24710 0.00366 -0.00477 -0.09743 0.26819
256 15G-4 0.14266 0.00477 0.00184 -0.15568 0.09743
246 247 248 249 250
(A2)--V (A1)--V (E)--V (E)--V (A1)--V
Eigenvalues -- 20.68915 20.80697 21.20264 21.20264 21.24951
1 1 N 1S 0.00000 -0.07430 0.00000 0.00000 -0.07487
2 2S 0.00000 -0.31276 0.00000 0.00000 -0.34475
3 3S 0.00000 -3.09278 0.00000 0.00000 -3.56960
4 4S 0.00000 10.41400 0.00000 0.00000 13.37164
5 5S 0.00000 7.94324 0.00000 0.00000 3.57995
6 6S 0.00000 3.38204 0.00000 0.00000 1.12528
7 7PX 0.00000 0.00000 0.00000 -0.26533 0.00000
8 7PY 0.00000 0.00000 -0.26533 0.00000 0.00000
9 7PZ 0.00000 0.48701 0.00000 0.00000 0.66676
10 8PX 0.00000 0.00000 0.00000 0.28604 0.00000
11 8PY 0.00000 0.00000 0.28604 0.00000 0.00000
12 8PZ 0.00000 -0.41180 0.00000 0.00000 -3.10471
13 9PX 0.00000 0.00000 0.00000 2.90513 0.00000
14 9PY 0.00000 0.00000 2.90513 0.00000 0.00000
15 9PZ 0.00000 -8.03623 0.00000 0.00000 2.16011
16 10PX 0.00000 0.00000 0.00000 -0.26128 0.00000
17 10PY 0.00000 0.00000 -0.26128 0.00000 0.00000
18 10PZ 0.00000 -2.45306 0.00000 0.00000 0.74497
19 11PX 0.00000 0.00000 0.00000 0.00433 0.00000
20 11PY 0.00000 0.00000 0.00433 0.00000 0.00000
21 11PZ 0.00000 -0.38355 0.00000 0.00000 -0.12235
22 12D 0 0.00000 -0.39893 0.00000 0.00000 0.89990
23 12D+1 0.00000 0.00000 0.00000 0.76582 0.00000
24 12D-1 0.00000 0.00000 0.76582 0.00000 0.00000
25 12D+2 0.00000 0.00000 -0.77921 0.00000 0.00000
26 12D-2 0.00000 0.00000 0.00000 -0.77921 0.00000
27 13D 0 0.00000 -0.34956 0.00000 0.00000 -1.65953
28 13D+1 0.00000 0.00000 0.00000 -1.08569 0.00000
29 13D-1 0.00000 0.00000 -1.08569 0.00000 0.00000
30 13D+2 0.00000 0.00000 0.33530 0.00000 0.00000
31 13D-2 0.00000 0.00000 0.00000 0.33530 0.00000
32 14D 0 0.00000 3.98406 0.00000 0.00000 -1.85405
33 14D+1 0.00000 0.00000 0.00000 -2.32264 0.00000
34 14D-1 0.00000 0.00000 -2.32264 0.00000 0.00000
35 14D+2 0.00000 0.00000 5.20465 0.00000 0.00000
36 14D-2 0.00000 0.00000 0.00000 5.20465 0.00000
37 15D 0 0.00000 0.60045 0.00000 0.00000 0.03482
38 15D+1 0.00000 0.00000 0.00000 -0.02365 0.00000
39 15D-1 0.00000 0.00000 -0.02365 0.00000 0.00000
40 15D+2 0.00000 0.00000 0.78920 0.00000 0.00000
41 15D-2 0.00000 0.00000 0.00000 0.78920 0.00000
42 16F 0 0.00000 0.46204 0.00000 0.00000 0.74315
43 16F+1 0.00000 0.00000 0.00000 -0.21897 0.00000
44 16F-1 0.00000 0.00000 -0.21897 0.00000 0.00000
45 16F+2 0.00000 0.00000 0.38331 0.00000 0.00000
46 16F-2 0.00000 0.00000 0.00000 0.38331 0.00000
47 16F+3 -0.76028 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00000 -1.05918 0.00000 0.00000 -0.81588
49 17F 0 0.00000 0.06469 0.00000 0.00000 -1.03565
50 17F+1 0.00000 0.00000 0.00000 1.13014 0.00000
51 17F-1 0.00000 0.00000 1.13014 0.00000 0.00000
52 17F+2 0.00000 0.00000 -1.20395 0.00000 0.00000
53 17F-2 0.00000 0.00000 0.00000 -1.20395 0.00000
54 17F+3 3.86731 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00000 1.88737 0.00000 0.00000 0.14408
56 18F 0 0.00000 -0.09278 0.00000 0.00000 -0.87159
57 18F+1 0.00000 0.00000 0.00000 0.26588 0.00000
58 18F-1 0.00000 0.00000 0.26588 0.00000 0.00000
59 18F+2 0.00000 0.00000 -0.51222 0.00000 0.00000
60 18F-2 0.00000 0.00000 0.00000 -0.51222 0.00000
61 18F+3 1.89500 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00000 1.19855 0.00000 0.00000 1.00230
63 19G 0 0.00000 -0.62098 0.00000 0.00000 0.45747
64 19G+1 0.00000 0.00000 0.00000 0.10287 0.00000
65 19G-1 0.00000 0.00000 0.10287 0.00000 0.00000
66 19G+2 0.00000 0.00000 -0.32752 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 -0.32752 0.00000
68 19G+3 -0.94578 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00000 0.39715 0.00000 0.00000 -0.00018
70 19G+4 0.00000 0.00000 0.45504 0.00000 0.00000
71 19G-4 0.00000 0.00000 0.00000 -0.45504 0.00000
72 20G 0 0.00000 -0.97007 0.00000 0.00000 0.87986
73 20G+1 0.00000 0.00000 0.00000 0.04519 0.00000
74 20G-1 0.00000 0.00000 0.04519 0.00000 0.00000
75 20G+2 0.00000 0.00000 -0.62106 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 -0.62106 0.00000
77 20G+3 -1.83084 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00000 -0.35505 0.00000 0.00000 -1.55320
79 20G+4 0.00000 0.00000 0.90394 0.00000 0.00000
80 20G-4 0.00000 0.00000 0.00000 -0.90394 0.00000
81 21H 0 0.00000 0.50651 0.00000 0.00000 -0.08296
82 21H+1 0.00000 0.00000 0.00000 -0.27939 0.00000
83 21H-1 0.00000 0.00000 -0.27939 0.00000 0.00000
84 21H+2 0.00000 0.00000 0.44910 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 0.44910 0.00000
86 21H+3 0.54094 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 -0.68462 0.00000 0.00000 0.72128
88 21H+4 0.00000 0.00000 -0.66827 0.00000 0.00000
89 21H-4 0.00000 0.00000 0.00000 0.66827 0.00000
90 21H+5 0.00000 0.00000 0.00000 0.73756 0.00000
91 21H-5 0.00000 0.00000 -0.73756 0.00000 0.00000
92 2 H 1S 0.00000 -0.21798 -0.12159 0.00000 -0.32091
93 2S 0.00000 2.49016 0.65008 0.00000 3.40414
94 3S 0.00000 -4.84017 0.31635 0.00000 -4.12349
95 4S 0.00000 -1.97518 0.12837 0.00000 -1.02138
96 5S 0.00000 -0.05578 -0.03013 0.00000 -0.04809
97 6PX -0.59505 0.00000 0.00000 0.64970 0.00000
98 6PY 0.00000 -0.19358 -0.12590 0.00000 0.13030
99 6PZ 0.00000 -0.39265 -0.31091 0.00000 0.29158
100 7PX 0.88262 0.00000 0.00000 -1.00367 0.00000
101 7PY 0.00000 -0.77958 -0.14067 0.00000 -1.62449
102 7PZ 0.00000 0.99080 0.59401 0.00000 0.13099
103 8PX 2.60051 0.00000 0.00000 -2.77031 0.00000
104 8PY 0.00000 4.51972 0.85881 0.00000 3.16465
105 8PZ 0.00000 0.46591 1.09677 0.00000 -2.67296
106 9PX 0.40565 0.00000 0.00000 -0.32352 0.00000
107 9PY 0.00000 1.51964 0.12240 0.00000 1.04664
108 9PZ 0.00000 -0.19995 0.13033 0.00000 -0.60624
109 10D 0 0.00000 -0.30382 -0.13767 0.00000 -0.12057
110 10D+1 -0.10235 0.00000 0.00000 0.13183 0.00000
111 10D-1 0.00000 -0.19694 0.00313 0.00000 -0.53036
112 10D+2 0.00000 -0.48616 -0.18082 0.00000 -0.44765
113 10D-2 0.21856 0.00000 0.00000 -0.21935 0.00000
114 11D 0 0.00000 1.49449 0.83743 0.00000 -0.30312
115 11D+1 0.70581 0.00000 0.00000 -1.12234 0.00000
116 11D-1 0.00000 -0.34096 -0.70671 0.00000 1.80630
117 11D+2 0.00000 1.64204 0.73540 0.00000 0.62502
118 11D-2 -2.00219 0.00000 0.00000 2.20042 0.00000
119 12D 0 0.00000 0.95448 0.38993 0.00000 0.16565
120 12D+1 0.42566 0.00000 0.00000 -0.49599 0.00000
121 12D-1 0.00000 0.31639 -0.16622 0.00000 1.29315
122 12D+2 0.00000 1.36291 0.39345 0.00000 0.97456
123 12D-2 -0.87063 0.00000 0.00000 0.89131 0.00000
124 13F 0 0.00000 0.00675 -0.01641 0.00000 0.13528
125 13F+1 -0.13752 0.00000 0.00000 0.01689 0.00000
126 13F-1 0.00000 -0.50584 -0.38157 0.00000 0.31589
127 13F+2 0.00000 -0.03889 -0.10738 0.00000 0.33878
128 13F-2 -0.32310 0.00000 0.00000 0.51904 0.00000
129 13F+3 -0.65574 0.00000 0.00000 0.65574 0.00000
130 13F-3 0.00000 -0.33407 -0.24864 0.00000 0.01854
131 14F 0 0.00000 0.25207 0.00224 0.00000 0.48183
132 14F+1 -0.08089 0.00000 0.00000 -0.03851 0.00000
133 14F-1 0.00000 -0.72601 -0.48095 0.00000 0.29925
134 14F+2 0.00000 0.17431 -0.03545 0.00000 0.70252
135 14F-2 -0.43238 0.00000 0.00000 0.68286 0.00000
136 14F+3 -0.70233 0.00000 0.00000 0.74139 0.00000
137 14F-3 0.00000 -0.68615 -0.34319 0.00000 -0.33084
138 15G 0 0.00000 -0.20955 -0.17858 0.00000 0.18923
139 15G+1 -0.13450 0.00000 0.00000 0.12058 0.00000
140 15G-1 0.00000 -0.22606 -0.13195 0.00000 -0.14982
141 15G+2 0.00000 -0.30518 -0.27492 0.00000 0.29333
142 15G-2 0.10445 0.00000 0.00000 0.08975 0.00000
143 15G+3 -0.29295 0.00000 0.00000 0.48334 0.00000
144 15G-3 0.00000 -0.13295 -0.03874 0.00000 -0.28213
145 15G+4 0.00000 -0.31171 -0.24056 0.00000 -0.04428
146 15G-4 0.46058 0.00000 0.00000 -0.41796 0.00000
147 3 H 1S 0.00000 -0.21798 0.06080 -0.10530 -0.32091
148 2S 0.00000 2.49016 -0.32504 0.56299 3.40414
149 3S 0.00000 -4.84017 -0.15817 0.27396 -4.12349
150 4S 0.00000 -1.97518 -0.06418 0.11117 -1.02138
151 5S 0.00000 -0.05578 0.01506 -0.02609 -0.04809
152 6PX 0.29753 -0.16765 0.33584 0.06800 0.11285
153 6PY 0.51533 0.09679 0.45580 0.33584 -0.06515
154 6PZ 0.00000 -0.39265 0.15545 -0.26925 0.29158
155 7PX -0.44131 -0.67513 -0.37369 -0.35642 -1.40685
156 7PY -0.76437 0.38979 -0.78792 -0.37369 0.81225
157 7PZ 0.00000 0.99080 -0.29700 0.51442 0.13099
158 8PX -1.30026 3.91419 -1.57146 -0.04847 2.74067
159 8PY -2.25211 -2.25986 -1.86303 -1.57146 -1.58232
160 8PZ 0.00000 0.46591 -0.54839 0.94983 -2.67296
161 9PX -0.20283 1.31605 -0.19309 0.01092 0.90642
162 9PY -0.35131 -0.75982 -0.21204 -0.19309 -0.52332
163 9PZ 0.00000 -0.19995 -0.06517 0.11287 -0.60624
164 10D 0 0.00000 -0.30382 0.06883 -0.11922 -0.12057
165 10D+1 0.05118 -0.17055 0.05573 0.03530 -0.45931
166 10D-1 0.08864 0.09847 0.09965 0.05573 0.26518
167 10D+2 -0.18928 0.24308 -0.20972 -0.01668 0.22383
168 10D-2 -0.10928 -0.42103 -0.01668 -0.19046 -0.38768
169 11D 0 0.00000 1.49449 -0.41872 0.72524 -0.30312
170 11D+1 -0.35290 -0.29528 -0.17998 -0.81061 1.56430
171 11D-1 -0.61125 0.17048 -1.01843 -0.17998 -0.90315
172 11D+2 1.73395 -0.82102 1.83416 0.63437 -0.31251
173 11D-2 1.00110 1.42204 0.63437 1.10165 0.54128
174 12D 0 0.00000 0.95448 -0.19496 0.33769 0.16565
175 12D+1 -0.21283 0.27400 -0.14279 -0.24866 1.11990
176 12D-1 -0.36863 -0.15819 -0.41355 -0.14279 -0.64657
177 12D+2 0.75399 -0.68146 0.76684 0.21558 -0.48728
178 12D-2 0.43531 1.18032 0.21558 0.51791 0.84400
179 13F 0 0.00000 0.00675 0.00820 -0.01421 0.13528
180 13F+1 0.06876 -0.43807 0.17254 -0.28195 0.27357
181 13F-1 0.11910 0.25292 -0.08273 0.17254 -0.15795
182 13F+2 0.27981 0.01944 0.36244 0.27125 -0.16939
183 13F-2 0.16155 -0.03368 0.27125 0.04922 0.29339
184 13F+3 -0.65574 0.00000 -0.56788 -0.32787 0.00000
185 13F-3 0.00000 -0.33407 0.12432 -0.21533 0.01854
186 14F 0 0.00000 0.25207 -0.00112 0.00194 0.48183
187 14F+1 0.04045 -0.62874 0.19158 -0.37034 0.25916
188 14F-1 0.07005 0.36300 -0.14912 0.19158 -0.14962
189 14F+2 0.37446 -0.08715 0.50328 0.31104 -0.35126
190 14F-2 0.21619 0.15095 0.31104 0.14412 0.60840
191 14F+3 -0.70233 0.00000 -0.64206 -0.37069 0.00000
192 14F-3 0.00000 -0.68615 0.17160 -0.29721 -0.33084
193 15G 0 0.00000 -0.20955 0.08929 -0.15466 0.18923
194 15G+1 0.06725 -0.19578 0.10935 -0.06882 -0.12975
195 15G-1 0.11648 0.11303 0.05745 0.10935 0.07491
196 15G+2 -0.09046 0.15259 -0.00142 0.15791 -0.14666
197 15G-2 -0.05223 -0.26430 0.15791 -0.18375 0.25403
198 15G+3 -0.29295 0.00000 -0.41858 -0.24167 0.00000
199 15G-3 0.00000 -0.13295 0.01937 -0.03355 -0.28213
200 15G+4 0.39887 0.15585 0.25333 0.28515 0.02214
201 15G-4 -0.23029 0.26995 -0.28515 0.07593 0.03835
202 4 H 1S 0.00000 -0.21798 0.06080 0.10530 -0.32091
203 2S 0.00000 2.49016 -0.32504 -0.56299 3.40414
204 3S 0.00000 -4.84017 -0.15817 -0.27396 -4.12349
205 4S 0.00000 -1.97518 -0.06418 -0.11117 -1.02138
206 5S 0.00000 -0.05578 0.01506 0.02609 -0.04809
207 6PX 0.29753 0.16765 -0.33584 0.06800 -0.11285
208 6PY -0.51533 0.09679 0.45580 -0.33584 -0.06515
209 6PZ 0.00000 -0.39265 0.15545 0.26925 0.29158
210 7PX -0.44131 0.67513 0.37369 -0.35642 1.40685
211 7PY 0.76437 0.38979 -0.78792 0.37369 0.81225
212 7PZ 0.00000 0.99080 -0.29700 -0.51442 0.13099
213 8PX -1.30026 -3.91419 1.57146 -0.04847 -2.74067
214 8PY 2.25211 -2.25986 -1.86303 1.57146 -1.58232
215 8PZ 0.00000 0.46591 -0.54839 -0.94983 -2.67296
216 9PX -0.20283 -1.31605 0.19309 0.01092 -0.90642
217 9PY 0.35131 -0.75982 -0.21204 0.19309 -0.52332
218 9PZ 0.00000 -0.19995 -0.06517 -0.11287 -0.60624
219 10D 0 0.00000 -0.30382 0.06883 0.11922 -0.12057
220 10D+1 0.05118 0.17055 -0.05573 0.03530 0.45931
221 10D-1 -0.08864 0.09847 0.09965 -0.05573 0.26518
222 10D+2 0.18928 0.24308 -0.20972 0.01668 0.22383
223 10D-2 -0.10928 0.42103 0.01668 -0.19046 0.38768
224 11D 0 0.00000 1.49449 -0.41872 -0.72524 -0.30312
225 11D+1 -0.35290 0.29528 0.17998 -0.81061 -1.56430
226 11D-1 0.61125 0.17048 -1.01843 0.17998 -0.90315
227 11D+2 -1.73395 -0.82102 1.83416 -0.63437 -0.31251
228 11D-2 1.00110 -1.42204 -0.63437 1.10165 -0.54128
229 12D 0 0.00000 0.95448 -0.19496 -0.33769 0.16565
230 12D+1 -0.21283 -0.27400 0.14279 -0.24866 -1.11990
231 12D-1 0.36863 -0.15819 -0.41355 0.14279 -0.64657
232 12D+2 -0.75399 -0.68146 0.76684 -0.21558 -0.48728
233 12D-2 0.43531 -1.18032 -0.21558 0.51791 -0.84400
234 13F 0 0.00000 0.00675 0.00820 0.01421 0.13528
235 13F+1 0.06876 0.43807 -0.17254 -0.28195 -0.27357
236 13F-1 -0.11910 0.25292 -0.08273 -0.17254 -0.15795
237 13F+2 -0.27981 0.01944 0.36244 -0.27125 -0.16939
238 13F-2 0.16155 0.03368 -0.27125 0.04922 -0.29339
239 13F+3 -0.65574 0.00000 0.56788 -0.32787 0.00000
240 13F-3 0.00000 -0.33407 0.12432 0.21533 0.01854
241 14F 0 0.00000 0.25207 -0.00112 -0.00194 0.48183
242 14F+1 0.04045 0.62874 -0.19158 -0.37034 -0.25916
243 14F-1 -0.07005 0.36300 -0.14912 -0.19158 -0.14962
244 14F+2 -0.37446 -0.08715 0.50328 -0.31104 -0.35126
245 14F-2 0.21619 -0.15095 -0.31104 0.14412 -0.60840
246 14F+3 -0.70233 0.00000 0.64206 -0.37069 0.00000
247 14F-3 0.00000 -0.68615 0.17160 0.29721 -0.33084
248 15G 0 0.00000 -0.20955 0.08929 0.15466 0.18923
249 15G+1 0.06725 0.19578 -0.10935 -0.06882 0.12975
250 15G-1 -0.11648 0.11303 0.05745 -0.10935 0.07491
251 15G+2 0.09046 0.15259 -0.00142 -0.15791 -0.14666
252 15G-2 -0.05223 0.26430 -0.15791 -0.18375 -0.25403
253 15G+3 -0.29295 0.00000 0.41858 -0.24167 0.00000
254 15G-3 0.00000 -0.13295 0.01937 0.03355 -0.28213
255 15G+4 -0.39887 0.15585 0.25333 -0.28515 0.02214
256 15G-4 -0.23029 -0.26995 0.28515 0.07593 -0.03835
251 252 253 254 255
(E)--V (E)--V (A1)--V (E)--V (E)--V
Eigenvalues -- 21.98598 21.98598 22.51399 23.59589 23.59589
1 1 N 1S 0.00000 0.00000 0.13523 0.00000 0.00000
2 2S 0.00000 0.00000 -0.45970 0.00000 0.00000
3 3S 0.00000 0.00000 -2.79168 0.00000 0.00000
4 4S 0.00000 0.00000 -0.48239 0.00000 0.00000
5 5S 0.00000 0.00000 6.84441 0.00000 0.00000
6 6S 0.00000 0.00000 0.70342 0.00000 0.00000
7 7PX -1.36685 0.00000 0.00000 0.00000 0.04714
8 7PY 0.00000 -1.36685 0.00000 0.04714 0.00000
9 7PZ 0.00000 0.00000 0.14502 0.00000 0.00000
10 8PX 5.24083 0.00000 0.00000 0.00000 -3.20333
11 8PY 0.00000 5.24083 0.00000 -3.20333 0.00000
12 8PZ 0.00000 0.00000 0.87085 0.00000 0.00000
13 9PX -1.30658 0.00000 0.00000 0.00000 15.79819
14 9PY 0.00000 -1.30658 0.00000 15.79819 0.00000
15 9PZ 0.00000 0.00000 -3.49902 0.00000 0.00000
16 10PX -3.57885 0.00000 0.00000 0.00000 9.22465
17 10PY 0.00000 -3.57885 0.00000 9.22465 0.00000
18 10PZ 0.00000 0.00000 -1.69498 0.00000 0.00000
19 11PX 0.06713 0.00000 0.00000 0.00000 0.59420
20 11PY 0.00000 0.06713 0.00000 0.59420 0.00000
21 11PZ 0.00000 0.00000 0.01712 0.00000 0.00000
22 12D 0 0.00000 0.00000 0.45639 0.00000 0.00000
23 12D+1 0.45886 0.00000 0.00000 0.00000 0.70076
24 12D-1 0.00000 0.45886 0.00000 0.70076 0.00000
25 12D+2 0.00000 0.86514 0.00000 0.81454 0.00000
26 12D-2 0.86514 0.00000 0.00000 0.00000 0.81454
27 13D 0 0.00000 0.00000 -0.55850 0.00000 0.00000
28 13D+1 -2.04512 0.00000 0.00000 0.00000 -0.61745
29 13D-1 0.00000 -2.04512 0.00000 -0.61745 0.00000
30 13D+2 0.00000 -2.76596 0.00000 -0.81302 0.00000
31 13D-2 -2.76596 0.00000 0.00000 0.00000 -0.81302
32 14D 0 0.00000 0.00000 -1.04977 0.00000 0.00000
33 14D+1 2.90738 0.00000 0.00000 0.00000 -6.18899
34 14D-1 0.00000 2.90738 0.00000 -6.18899 0.00000
35 14D+2 0.00000 2.36055 0.00000 -6.35489 0.00000
36 14D-2 2.36055 0.00000 0.00000 0.00000 -6.35489
37 15D 0 0.00000 0.00000 -0.31658 0.00000 0.00000
38 15D+1 1.19023 0.00000 0.00000 0.00000 -2.11589
39 15D-1 0.00000 1.19023 0.00000 -2.11589 0.00000
40 15D+2 0.00000 1.43214 0.00000 -2.16358 0.00000
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256 15G-4 0.25487 0.09517 -0.10141 0.04628 0.07176
256
(A1)--V
Eigenvalues -- 54.07320
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2 2S -5.83938
3 3S -8.83961
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92 2 H 1S 0.24672
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224 11D 0 0.37868
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226 11D-1 -0.40531
227 11D+2 -0.48095
228 11D-2 -0.83302
229 12D 0 0.43292
230 12D+1 -0.75057
231 12D-1 -0.43334
232 12D+2 -0.54566
233 12D-2 -0.94512
234 13F 0 0.07455
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236 13F-1 0.01104
237 13F+2 -0.05824
238 13F-2 -0.10087
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240 13F-3 -0.10593
241 14F 0 0.22978
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244 14F+2 -0.14884
245 14F-2 -0.25779
246 14F+3 0.00000
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250 15G-1 0.01265
251 15G+2 -0.00160
252 15G-2 -0.00278
253 15G+3 0.00000
254 15G-3 -0.02070
255 15G+4 0.01295
256 15G-4 -0.02243
Alpha Density Matrix:
1 2 3 4 5
1 1 N 1S 0.33459
2 2S -0.26274 0.21772
3 3S 0.04125 -0.03170 0.00514
4 4S -0.03421 0.05890 -0.00228 0.09352
5 5S -0.04362 0.07672 -0.00291 0.12384 0.16462
6 6S -0.01095 0.01920 -0.00099 0.03101 0.04292
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8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
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11 8PY 0.00000 0.00000 0.00000 0.00000 0.00000
12 8PZ -0.00360 0.00708 0.00056 0.01204 0.01105
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14 9PY 0.00000 0.00000 0.00000 0.00000 0.00000
15 9PZ -0.00614 0.01100 0.00077 0.01760 0.01575
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56 18F 0 -0.00010 0.00031 -0.00001 0.00066 0.00093
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62 18F-3 0.00021 -0.00048 0.00001 -0.00092 -0.00127
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78 20G-3 -0.00007 0.00020 0.00000 0.00042 0.00058
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120 12D+1 0.00000 0.00000 0.00000 0.00000 0.00000
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128 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
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136 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
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145 15G+4 0.00000 0.00001 0.00000 0.00002 0.00002
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147 3 H 1S -0.00191 0.00324 -0.00019 0.00512 0.00720
148 2S -0.00424 0.00711 -0.00045 0.01111 0.01575
149 3S -0.00793 0.01299 -0.00084 0.01991 0.02815
150 4S -0.00561 0.00946 -0.00025 0.01474 0.01862
151 5S 0.00005 -0.00011 -0.00002 -0.00019 -0.00012
152 6PX 0.00009 -0.00017 0.00001 -0.00027 -0.00038
153 6PY -0.00005 0.00010 -0.00001 0.00016 0.00022
154 6PZ -0.00007 0.00013 0.00000 0.00021 0.00026
155 7PX 0.00033 -0.00054 0.00004 -0.00082 -0.00118
156 7PY -0.00019 0.00031 -0.00002 0.00047 0.00068
157 7PZ -0.00026 0.00044 -0.00001 0.00068 0.00085
158 8PX 0.00135 -0.00220 0.00012 -0.00335 -0.00457
159 8PY -0.00078 0.00127 -0.00007 0.00193 0.00264
160 8PZ -0.00096 0.00174 -0.00002 0.00285 0.00351
161 9PX 0.00143 -0.00242 0.00002 -0.00376 -0.00449
162 9PY -0.00082 0.00140 -0.00001 0.00217 0.00259
163 9PZ -0.00097 0.00172 0.00003 0.00276 0.00307
164 10D 0 0.00000 0.00000 0.00000 0.00000 -0.00001
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166 10D-1 -0.00002 0.00003 0.00000 0.00003 0.00004
167 10D+2 -0.00001 0.00002 0.00000 0.00003 0.00005
168 10D-2 0.00003 -0.00004 0.00000 -0.00005 -0.00008
169 11D 0 0.00005 -0.00007 0.00001 -0.00008 -0.00013
170 11D+1 0.00011 -0.00023 0.00000 -0.00042 -0.00055
171 11D-1 -0.00006 0.00014 0.00000 0.00024 0.00032
172 11D+2 -0.00005 0.00009 -0.00001 0.00014 0.00021
173 11D-2 0.00009 -0.00015 0.00001 -0.00025 -0.00036
174 12D 0 0.00009 -0.00012 0.00001 -0.00015 -0.00023
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177 12D+2 -0.00020 0.00036 0.00000 0.00058 0.00071
178 12D-2 0.00035 -0.00062 0.00001 -0.00100 -0.00122
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203 2S -0.00424 0.00711 -0.00045 0.01111 0.01575
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Beta Density Matrix:
1 2 3 4 5
1 1 N 1S 0.33459
2 2S -0.26274 0.21772
3 3S 0.04125 -0.03170 0.00514
4 4S -0.03421 0.05890 -0.00228 0.09352
5 5S -0.04362 0.07672 -0.00291 0.12384 0.16462
6 6S -0.01095 0.01920 -0.00099 0.03101 0.04292
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8 7PY 0.00000 0.00000 0.00000 0.00000 0.00000
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12 8PZ -0.00360 0.00708 0.00056 0.01204 0.01105
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15 9PZ -0.00614 0.01100 0.00077 0.01760 0.01575
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17 10PY 0.00000 0.00000 0.00000 0.00000 0.00000
18 10PZ -0.00884 0.01561 0.00060 0.02486 0.02524
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62 18F-3 0.00021 -0.00048 0.00001 -0.00092 -0.00127
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69 19G-3 -0.00001 0.00003 0.00000 0.00006 0.00008
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2 2S 0.43831 0.43543
3 3S 0.04012 0.05182 0.01028
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148 2S -0.00004 -0.00020 -0.00004 0.00317 0.00847
149 3S -0.00053 -0.00195 -0.00027 0.01207 0.02649
150 4S -0.00052 -0.00193 -0.00010 0.01111 0.02211
151 5S 0.00000 0.00002 -0.00001 -0.00012 -0.00013
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160 8PZ -0.00005 -0.00020 0.00000 0.00100 0.00121
161 9PX -0.00020 -0.00071 -0.00001 0.00330 0.00458
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256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
221 222 223 224 225
221 10D-1 0.00000
222 10D+2 0.00000 0.00000
223 10D-2 0.00000 0.00000 0.00000
224 11D 0 0.00000 0.00000 0.00000 0.00000
225 11D+1 0.00000 0.00000 0.00000 0.00000 0.00001
226 11D-1 0.00000 0.00000 0.00000 0.00000 0.00000
227 11D+2 0.00000 0.00000 0.00000 0.00000 0.00000
228 11D-2 0.00000 0.00000 0.00000 0.00000 0.00000
229 12D 0 0.00000 0.00000 0.00000 0.00000 0.00000
230 12D+1 0.00000 0.00000 0.00000 0.00000 0.00001
231 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
232 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
233 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
234 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
235 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
236 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
237 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
238 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
239 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
240 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
241 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
242 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
243 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
244 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
245 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
226 227 228 229 230
226 11D-1 0.00000
227 11D+2 0.00000 0.00000
228 11D-2 0.00000 0.00000 0.00001
229 12D 0 0.00000 0.00000 0.00000 0.00001
230 12D+1 0.00000 0.00000 0.00000 0.00000 0.00006
231 12D-1 0.00000 0.00000 0.00000 0.00000 0.00000
232 12D+2 0.00000 0.00000 0.00000 0.00000 0.00000
233 12D-2 0.00000 0.00000 0.00000 0.00000 0.00000
234 13F 0 0.00000 0.00000 0.00000 0.00000 0.00000
235 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
236 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
237 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
238 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
239 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
240 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
241 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
242 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
243 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
244 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
245 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
231 232 233 234 235
231 12D-1 0.00002
232 12D+2 0.00000 0.00003
233 12D-2 0.00000 0.00000 0.00006
234 13F 0 0.00000 0.00000 0.00000 0.00000
235 13F+1 0.00000 0.00000 0.00000 0.00000 0.00000
236 13F-1 0.00000 0.00000 0.00000 0.00000 0.00000
237 13F+2 0.00000 0.00000 0.00000 0.00000 0.00000
238 13F-2 0.00000 0.00000 0.00000 0.00000 0.00000
239 13F+3 0.00000 0.00000 0.00000 0.00000 0.00000
240 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
241 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
242 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
243 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
244 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
245 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
236 237 238 239 240
236 13F-1 0.00000
237 13F+2 0.00000 0.00000
238 13F-2 0.00000 0.00000 0.00000
239 13F+3 0.00000 0.00000 0.00000 0.00000
240 13F-3 0.00000 0.00000 0.00000 0.00000 0.00000
241 14F 0 0.00000 0.00000 0.00000 0.00000 0.00000
242 14F+1 0.00000 0.00000 0.00000 0.00000 0.00000
243 14F-1 0.00000 0.00000 0.00000 0.00000 0.00000
244 14F+2 0.00000 0.00000 0.00000 0.00000 0.00000
245 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
241 242 243 244 245
241 14F 0 0.00000
242 14F+1 0.00000 0.00000
243 14F-1 0.00000 0.00000 0.00000
244 14F+2 0.00000 0.00000 0.00000 0.00000
245 14F-2 0.00000 0.00000 0.00000 0.00000 0.00000
246 14F+3 0.00000 0.00000 0.00000 0.00000 0.00000
247 14F-3 0.00000 0.00000 0.00000 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
246 247 248 249 250
246 14F+3 0.00000
247 14F-3 0.00000 0.00000
248 15G 0 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
251 252 253 254 255
251 15G+2 0.00000
252 15G-2 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000
254 15G-3 0.00000 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000 0.00000
256
256 15G-4 0.00000
Gross orbital populations:
Total Alpha Beta Spin
1 1 N 1S 1.10897 0.55449 0.55449 0.00000
2 2S 0.78889 0.39444 0.39444 0.00000
3 3S 0.09274 0.04637 0.04637 0.00000
4 4S 0.46670 0.23335 0.23335 0.00000
5 5S 0.77463 0.38732 0.38732 0.00000
6 6S 0.19580 0.09790 0.09790 0.00000
7 7PX 0.07040 0.03520 0.03520 0.00000
8 7PY 0.07040 0.03520 0.03520 0.00000
9 7PZ 0.09594 0.04797 0.04797 0.00000
10 8PX 0.21195 0.10598 0.10598 0.00000
11 8PY 0.21195 0.10598 0.10598 0.00000
12 8PZ 0.28165 0.14082 0.14082 0.00000
13 9PX 0.43742 0.21871 0.21871 0.00000
14 9PY 0.43742 0.21871 0.21871 0.00000
15 9PZ 0.54857 0.27429 0.27429 0.00000
16 10PX 0.35678 0.17839 0.17839 0.00000
17 10PY 0.35678 0.17839 0.17839 0.00000
18 10PZ 0.56849 0.28425 0.28425 0.00000
19 11PX 0.06969 0.03484 0.03484 0.00000
20 11PY 0.06969 0.03484 0.03484 0.00000
21 11PZ 0.30760 0.15380 0.15380 0.00000
22 12D 0 0.00001 0.00000 0.00000 0.00000
23 12D+1 0.00007 0.00003 0.00003 0.00000
24 12D-1 0.00007 0.00003 0.00003 0.00000
25 12D+2 0.00005 0.00002 0.00002 0.00000
26 12D-2 0.00005 0.00002 0.00002 0.00000
27 13D 0 0.00013 0.00006 0.00006 0.00000
28 13D+1 0.00099 0.00049 0.00049 0.00000
29 13D-1 0.00099 0.00049 0.00049 0.00000
30 13D+2 0.00070 0.00035 0.00035 0.00000
31 13D-2 0.00070 0.00035 0.00035 0.00000
32 14D 0 0.00066 0.00033 0.00033 0.00000
33 14D+1 0.00721 0.00360 0.00360 0.00000
34 14D-1 0.00721 0.00360 0.00360 0.00000
35 14D+2 0.00559 0.00279 0.00279 0.00000
36 14D-2 0.00559 0.00279 0.00279 0.00000
37 15D 0 0.00039 0.00020 0.00020 0.00000
38 15D+1 0.00551 0.00275 0.00275 0.00000
39 15D-1 0.00551 0.00275 0.00275 0.00000
40 15D+2 0.00512 0.00256 0.00256 0.00000
41 15D-2 0.00512 0.00256 0.00256 0.00000
42 16F 0 0.00001 0.00001 0.00001 0.00000
43 16F+1 0.00000 0.00000 0.00000 0.00000
44 16F-1 0.00000 0.00000 0.00000 0.00000
45 16F+2 0.00001 0.00000 0.00000 0.00000
46 16F-2 0.00001 0.00000 0.00000 0.00000
47 16F+3 0.00000 0.00000 0.00000 0.00000
48 16F-3 0.00001 0.00001 0.00001 0.00000
49 17F 0 0.00035 0.00017 0.00017 0.00000
50 17F+1 0.00004 0.00002 0.00002 0.00000
51 17F-1 0.00004 0.00002 0.00002 0.00000
52 17F+2 0.00024 0.00012 0.00012 0.00000
53 17F-2 0.00024 0.00012 0.00012 0.00000
54 17F+3 0.00000 0.00000 0.00000 0.00000
55 17F-3 0.00036 0.00018 0.00018 0.00000
56 18F 0 0.00054 0.00027 0.00027 0.00000
57 18F+1 0.00009 0.00004 0.00004 0.00000
58 18F-1 0.00009 0.00004 0.00004 0.00000
59 18F+2 0.00070 0.00035 0.00035 0.00000
60 18F-2 0.00070 0.00035 0.00035 0.00000
61 18F+3 0.00000 0.00000 0.00000 0.00000
62 18F-3 0.00068 0.00034 0.00034 0.00000
63 19G 0 0.00000 0.00000 0.00000 0.00000
64 19G+1 0.00001 0.00000 0.00000 0.00000
65 19G-1 0.00001 0.00000 0.00000 0.00000
66 19G+2 0.00000 0.00000 0.00000 0.00000
67 19G-2 0.00000 0.00000 0.00000 0.00000
68 19G+3 0.00000 0.00000 0.00000 0.00000
69 19G-3 0.00001 0.00001 0.00001 0.00000
70 19G+4 0.00001 0.00000 0.00000 0.00000
71 19G-4 0.00001 0.00000 0.00000 0.00000
72 20G 0 0.00004 0.00002 0.00002 0.00000
73 20G+1 0.00014 0.00007 0.00007 0.00000
74 20G-1 0.00014 0.00007 0.00007 0.00000
75 20G+2 0.00000 0.00000 0.00000 0.00000
76 20G-2 0.00000 0.00000 0.00000 0.00000
77 20G+3 0.00000 0.00000 0.00000 0.00000
78 20G-3 0.00021 0.00010 0.00010 0.00000
79 20G+4 0.00017 0.00008 0.00008 0.00000
80 20G-4 0.00017 0.00008 0.00008 0.00000
81 21H 0 0.00000 0.00000 0.00000 0.00000
82 21H+1 0.00000 0.00000 0.00000 0.00000
83 21H-1 0.00000 0.00000 0.00000 0.00000
84 21H+2 0.00000 0.00000 0.00000 0.00000
85 21H-2 0.00000 0.00000 0.00000 0.00000
86 21H+3 0.00000 0.00000 0.00000 0.00000
87 21H-3 0.00000 0.00000 0.00000 0.00000
88 21H+4 0.00002 0.00001 0.00001 0.00000
89 21H-4 0.00002 0.00001 0.00001 0.00000
90 21H+5 0.00000 0.00000 0.00000 0.00000
91 21H-5 0.00000 0.00000 0.00000 0.00000
92 2 H 1S 0.03575 0.01787 0.01787 0.00000
93 2S 0.15021 0.07511 0.07511 0.00000
94 3S 0.33412 0.16706 0.16706 0.00000
95 4S 0.18681 0.09341 0.09341 0.00000
96 5S 0.01542 0.00771 0.00771 0.00000
97 6PX 0.00005 0.00003 0.00003 0.00000
98 6PY 0.00034 0.00017 0.00017 0.00000
99 6PZ 0.00015 0.00007 0.00007 0.00000
100 7PX 0.00060 0.00030 0.00030 0.00000
101 7PY 0.00291 0.00146 0.00146 0.00000
102 7PZ 0.00129 0.00065 0.00065 0.00000
103 8PX 0.00534 0.00267 0.00267 0.00000
104 8PY 0.01304 0.00652 0.00652 0.00000
105 8PZ 0.01177 0.00588 0.00588 0.00000
106 9PX 0.01157 0.00579 0.00579 0.00000
107 9PY 0.00000 0.00000 0.00000 0.00000
108 9PZ 0.02710 0.01355 0.01355 0.00000
109 10D 0 0.00003 0.00002 0.00002 0.00000
110 10D+1 0.00000 0.00000 0.00000 0.00000
111 10D-1 0.00007 0.00003 0.00003 0.00000
112 10D+2 0.00006 0.00003 0.00003 0.00000
113 10D-2 0.00004 0.00002 0.00002 0.00000
114 11D 0 0.00027 0.00014 0.00014 0.00000
115 11D+1 0.00001 0.00001 0.00001 0.00000
116 11D-1 0.00076 0.00038 0.00038 0.00000
117 11D+2 0.00053 0.00027 0.00027 0.00000
118 11D-2 0.00036 0.00018 0.00018 0.00000
119 12D 0 0.00036 0.00018 0.00018 0.00000
120 12D+1 0.00015 0.00007 0.00007 0.00000
121 12D-1 0.00476 0.00238 0.00238 0.00000
122 12D+2 -0.00022 -0.00011 -0.00011 0.00000
123 12D-2 0.00274 0.00137 0.00137 0.00000
124 13F 0 0.00001 0.00000 0.00000 0.00000
125 13F+1 0.00000 0.00000 0.00000 0.00000
126 13F-1 0.00002 0.00001 0.00001 0.00000
127 13F+2 0.00002 0.00001 0.00001 0.00000
128 13F-2 0.00000 0.00000 0.00000 0.00000
129 13F+3 0.00001 0.00001 0.00001 0.00000
130 13F-3 0.00002 0.00001 0.00001 0.00000
131 14F 0 0.00009 0.00004 0.00004 0.00000
132 14F+1 0.00001 0.00001 0.00001 0.00000
133 14F-1 0.00006 0.00003 0.00003 0.00000
134 14F+2 0.00024 0.00012 0.00012 0.00000
135 14F-2 0.00001 0.00001 0.00001 0.00000
136 14F+3 0.00012 0.00006 0.00006 0.00000
137 14F-3 -0.00010 -0.00005 -0.00005 0.00000
138 15G 0 0.00000 0.00000 0.00000 0.00000
139 15G+1 0.00000 0.00000 0.00000 0.00000
140 15G-1 0.00000 0.00000 0.00000 0.00000
141 15G+2 0.00000 0.00000 0.00000 0.00000
142 15G-2 0.00000 0.00000 0.00000 0.00000
143 15G+3 0.00000 0.00000 0.00000 0.00000
144 15G-3 0.00001 0.00000 0.00000 0.00000
145 15G+4 0.00000 0.00000 0.00000 0.00000
146 15G-4 0.00000 0.00000 0.00000 0.00000
147 3 H 1S 0.03575 0.01787 0.01787 0.00000
148 2S 0.15021 0.07511 0.07511 0.00000
149 3S 0.33412 0.16706 0.16706 0.00000
150 4S 0.18681 0.09341 0.09341 0.00000
151 5S 0.01542 0.00771 0.00771 0.00000
152 6PX 0.00027 0.00013 0.00013 0.00000
153 6PY 0.00013 0.00006 0.00006 0.00000
154 6PZ 0.00015 0.00007 0.00007 0.00000
155 7PX 0.00233 0.00117 0.00117 0.00000
156 7PY 0.00118 0.00059 0.00059 0.00000
157 7PZ 0.00129 0.00065 0.00065 0.00000
158 8PX 0.01112 0.00556 0.00556 0.00000
159 8PY 0.00726 0.00363 0.00363 0.00000
160 8PZ 0.01177 0.00588 0.00588 0.00000
161 9PX 0.00289 0.00145 0.00145 0.00000
162 9PY 0.00868 0.00434 0.00434 0.00000
163 9PZ 0.02710 0.01355 0.01355 0.00000
164 10D 0 0.00003 0.00002 0.00002 0.00000
165 10D+1 0.00005 0.00003 0.00003 0.00000
166 10D-1 0.00002 0.00001 0.00001 0.00000
167 10D+2 0.00005 0.00002 0.00002 0.00000
168 10D-2 0.00006 0.00003 0.00003 0.00000
169 11D 0 0.00027 0.00014 0.00014 0.00000
170 11D+1 0.00057 0.00029 0.00029 0.00000
171 11D-1 0.00020 0.00010 0.00010 0.00000
172 11D+2 0.00040 0.00020 0.00020 0.00000
173 11D-2 0.00049 0.00024 0.00024 0.00000
174 12D 0 0.00036 0.00018 0.00018 0.00000
175 12D+1 0.00360 0.00180 0.00180 0.00000
176 12D-1 0.00130 0.00065 0.00065 0.00000
177 12D+2 0.00200 0.00100 0.00100 0.00000
178 12D-2 0.00052 0.00026 0.00026 0.00000
179 13F 0 0.00001 0.00000 0.00000 0.00000
180 13F+1 0.00002 0.00001 0.00001 0.00000
181 13F-1 0.00001 0.00000 0.00000 0.00000
182 13F+2 0.00001 0.00000 0.00000 0.00000
183 13F-2 0.00002 0.00001 0.00001 0.00000
184 13F+3 0.00001 0.00001 0.00001 0.00000
185 13F-3 0.00002 0.00001 0.00001 0.00000
186 14F 0 0.00009 0.00004 0.00004 0.00000
187 14F+1 0.00005 0.00002 0.00002 0.00000
188 14F-1 0.00002 0.00001 0.00001 0.00000
189 14F+2 0.00007 0.00003 0.00003 0.00000
190 14F-2 0.00018 0.00009 0.00009 0.00000
191 14F+3 0.00012 0.00006 0.00006 0.00000
192 14F-3 -0.00010 -0.00005 -0.00005 0.00000
193 15G 0 0.00000 0.00000 0.00000 0.00000
194 15G+1 0.00000 0.00000 0.00000 0.00000
195 15G-1 0.00000 0.00000 0.00000 0.00000
196 15G+2 0.00000 0.00000 0.00000 0.00000
197 15G-2 0.00000 0.00000 0.00000 0.00000
198 15G+3 0.00000 0.00000 0.00000 0.00000
199 15G-3 0.00001 0.00000 0.00000 0.00000
200 15G+4 0.00000 0.00000 0.00000 0.00000
201 15G-4 0.00000 0.00000 0.00000 0.00000
202 4 H 1S 0.03575 0.01787 0.01787 0.00000
203 2S 0.15021 0.07511 0.07511 0.00000
204 3S 0.33412 0.16706 0.16706 0.00000
205 4S 0.18681 0.09341 0.09341 0.00000
206 5S 0.01542 0.00771 0.00771 0.00000
207 6PX 0.00027 0.00013 0.00013 0.00000
208 6PY 0.00013 0.00006 0.00006 0.00000
209 6PZ 0.00015 0.00007 0.00007 0.00000
210 7PX 0.00233 0.00117 0.00117 0.00000
211 7PY 0.00118 0.00059 0.00059 0.00000
212 7PZ 0.00129 0.00065 0.00065 0.00000
213 8PX 0.01112 0.00556 0.00556 0.00000
214 8PY 0.00726 0.00363 0.00363 0.00000
215 8PZ 0.01177 0.00588 0.00588 0.00000
216 9PX 0.00289 0.00145 0.00145 0.00000
217 9PY 0.00868 0.00434 0.00434 0.00000
218 9PZ 0.02710 0.01355 0.01355 0.00000
219 10D 0 0.00003 0.00002 0.00002 0.00000
220 10D+1 0.00005 0.00003 0.00003 0.00000
221 10D-1 0.00002 0.00001 0.00001 0.00000
222 10D+2 0.00005 0.00002 0.00002 0.00000
223 10D-2 0.00006 0.00003 0.00003 0.00000
224 11D 0 0.00027 0.00014 0.00014 0.00000
225 11D+1 0.00057 0.00029 0.00029 0.00000
226 11D-1 0.00020 0.00010 0.00010 0.00000
227 11D+2 0.00040 0.00020 0.00020 0.00000
228 11D-2 0.00049 0.00024 0.00024 0.00000
229 12D 0 0.00036 0.00018 0.00018 0.00000
230 12D+1 0.00360 0.00180 0.00180 0.00000
231 12D-1 0.00130 0.00065 0.00065 0.00000
232 12D+2 0.00200 0.00100 0.00100 0.00000
233 12D-2 0.00052 0.00026 0.00026 0.00000
234 13F 0 0.00001 0.00000 0.00000 0.00000
235 13F+1 0.00002 0.00001 0.00001 0.00000
236 13F-1 0.00001 0.00000 0.00000 0.00000
237 13F+2 0.00001 0.00000 0.00000 0.00000
238 13F-2 0.00002 0.00001 0.00001 0.00000
239 13F+3 0.00001 0.00001 0.00001 0.00000
240 13F-3 0.00002 0.00001 0.00001 0.00000
241 14F 0 0.00009 0.00004 0.00004 0.00000
242 14F+1 0.00005 0.00002 0.00002 0.00000
243 14F-1 0.00002 0.00001 0.00001 0.00000
244 14F+2 0.00007 0.00003 0.00003 0.00000
245 14F-2 0.00018 0.00009 0.00009 0.00000
246 14F+3 0.00012 0.00006 0.00006 0.00000
247 14F-3 -0.00010 -0.00005 -0.00005 0.00000
248 15G 0 0.00000 0.00000 0.00000 0.00000
249 15G+1 0.00000 0.00000 0.00000 0.00000
250 15G-1 0.00000 0.00000 0.00000 0.00000
251 15G+2 0.00000 0.00000 0.00000 0.00000
252 15G-2 0.00000 0.00000 0.00000 0.00000
253 15G+3 0.00000 0.00000 0.00000 0.00000
254 15G-3 0.00001 0.00000 0.00000 0.00000
255 15G+4 0.00000 0.00000 0.00000 0.00000
256 15G-4 0.00000 0.00000 0.00000 0.00000
Condensed to atoms (all electrons):
1 2 3 4
1 N 6.299601 0.426521 0.426521 0.426521
2 H 0.426521 0.444387 -0.031982 -0.031982
3 H 0.426521 -0.031982 0.444387 -0.031982
4 H 0.426521 -0.031982 -0.031982 0.444387
Atomic-Atomic Spin Densities.
1 2 3 4
1 N 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 N -0.579165 0.000000
2 H 0.193055 0.000000
3 H 0.193055 0.000000
4 H 0.193055 0.000000
Sum of Mulliken charges = 0.00000 0.00000
Mulliken charges and spin densities with hydrogens summed into heavy atoms:
1 2
1 N 0.000000 0.000000
Electronic spatial extent (au): <R**2>= 26.6773
Charge= 0.0000 electrons
Dipole moment (field-independent basis, Debye):
X= 0.0000 Y= 0.0000 Z= -1.6866 Tot= 1.6866
Quadrupole moment (field-independent basis, Debye-Ang):
XX= -6.2464 YY= -6.2464 ZZ= -9.1772
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Traceless Quadrupole moment (field-independent basis, Debye-Ang):
XX= 0.9769 YY= 0.9769 ZZ= -1.9539
XY= 0.0000 XZ= 0.0000 YZ= 0.0000
Octapole moment (field-independent basis, Debye-Ang**2):
XXX= 0.0000 YYY= 0.9402 ZZZ= -1.4800 XYY= 0.0000
XXY= -0.9402 XXZ= -0.9397 XZZ= 0.0000 YZZ= 0.0000
YYZ= -0.9397 XYZ= 0.0000
Hexadecapole moment (field-independent basis, Debye-Ang**3):
XXXX= -9.9179 YYYY= -9.9179 ZZZZ= -12.0057 XXXY= 0.0000
XXXZ= 0.0000 YYYX= 0.0000 YYYZ= -0.3868 ZZZX= 0.0000
ZZZY= 0.0000 XXYY= -3.3060 XXZZ= -3.7378 YYZZ= -3.7378
XXYZ= 0.3868 YYXZ= 0.0000 ZZXY= 0.0000
N-N= 1.190567219859D+01 E-N=-1.556690269007D+02 KE= 5.613969708360D+01
Symmetry A' KE= 5.353024285903D+01
Symmetry A" KE= 2.609454224571D+00
Orbital energies and kinetic energies (alpha):
1 2
1 (A1)--O -15.541817 22.124651
2 (A1)--O -1.141337 1.778778
3 (E)--O -0.624431 1.304727
4 (E)--O -0.624431 1.304727
5 (A1)--O -0.433119 1.556965
6 (A1)--V 0.091912 0.290100
7 (E)--V 0.143172 0.268292
8 (E)--V 0.143172 0.268292
9 (A1)--V 0.261683 0.486264
10 (E)--V 0.282982 0.367084
11 (E)--V 0.282982 0.367084
12 (A1)--V 0.426955 0.880886
13 (E)--V 0.459604 0.634993
14 (E)--V 0.459604 0.634993
15 (A1)--V 0.467974 0.861250
16 (E)--V 0.489113 1.123889
17 (E)--V 0.489113 1.123889
18 (A1)--V 0.688754 0.953455
19 (E)--V 0.712246 0.870856
20 (E)--V 0.712246 0.870856
21 (A2)--V 0.716522 0.775355
22 (E)--V 0.804146 0.927734
23 (E)--V 0.804146 0.927734
24 (E)--V 0.883523 1.004393
25 (E)--V 0.883523 1.004393
26 (A1)--V 0.886372 1.120543
27 (A1)--V 0.983719 1.211199
28 (E)--V 1.026585 1.173576
29 (E)--V 1.026585 1.173576
30 (A1)--V 1.157669 2.212261
31 (E)--V 1.242570 2.260788
32 (E)--V 1.242570 2.260788
33 (A1)--V 1.323263 1.925116
34 (E)--V 1.519490 1.876207
35 (E)--V 1.519490 1.876207
36 (A1)--V 1.640324 2.020115
37 (A2)--V 1.707165 1.859386
38 (E)--V 1.777352 1.974781
39 (E)--V 1.777352 1.974781
40 (E)--V 1.787852 1.900329
41 (E)--V 1.787852 1.900329
42 (A2)--V 1.835365 1.958839
43 (E)--V 1.883016 2.026793
44 (E)--V 1.883016 2.026793
45 (A1)--V 1.910488 2.116379
46 (E)--V 1.958865 2.152087
47 (E)--V 1.958865 2.152087
48 (E)--V 2.022850 2.203526
49 (E)--V 2.022850 2.203526
50 (A1)--V 2.053096 2.534935
51 (E)--V 2.153825 2.474965
52 (E)--V 2.153825 2.474965
53 (A1)--V 2.194971 2.783160
54 (A1)--V 2.280768 2.454779
55 (E)--V 2.404171 2.664469
56 (E)--V 2.404171 2.664469
57 (A2)--V 2.576060 2.724854
58 (E)--V 2.603395 2.810156
59 (E)--V 2.603395 2.810156
60 (A1)--V 2.693011 2.937034
61 (E)--V 2.715463 3.059874
62 (E)--V 2.715463 3.059874
63 (A1)--V 2.771938 4.002576
64 (E)--V 2.865965 3.749116
65 (E)--V 2.865965 3.749116
66 (A1)--V 2.900538 3.778127
67 (A2)--V 2.948247 3.081697
68 (A1)--V 3.333617 3.865471
69 (E)--V 3.434572 3.891531
70 (E)--V 3.434572 3.891531
71 (E)--V 3.569722 4.468009
72 (E)--V 3.569722 4.468009
73 (A1)--V 3.647959 4.667619
74 (E)--V 3.730809 4.067838
75 (E)--V 3.730809 4.067838
76 (E)--V 3.930930 4.521905
77 (E)--V 3.930930 4.521905
78 (E)--V 4.082300 4.232650
79 (E)--V 4.082300 4.232650
80 (A1)--V 4.246634 4.801856
81 (A2)--V 4.297676 4.434366
82 (E)--V 4.374135 4.666600
83 (E)--V 4.374135 4.666600
84 (A1)--V 4.433311 5.224165
85 (E)--V 4.523883 4.882115
86 (E)--V 4.523883 4.882115
87 (A2)--V 4.551130 4.872918
88 (E)--V 4.642054 4.965562
89 (E)--V 4.642054 4.965562
90 (E)--V 4.743888 4.987676
91 (E)--V 4.743888 4.987676
92 (A1)--V 4.806411 5.077140
93 (A1)--V 4.943208 5.186897
94 (A1)--V 4.955220 5.294398
95 (E)--V 4.983747 5.672364
96 (E)--V 4.983747 5.672364
97 (A2)--V 4.993556 5.256482
98 (E)--V 5.051335 5.261654
99 (E)--V 5.051335 5.261654
100 (E)--V 5.176725 5.461164
101 (E)--V 5.176725 5.461164
102 (A2)--V 5.248004 5.596735
103 (E)--V 5.271434 5.824366
104 (E)--V 5.271434 5.824366
105 (A1)--V 5.301274 6.198854
106 (E)--V 5.478652 6.167250
107 (E)--V 5.478652 6.167250
108 (A2)--V 5.519662 5.703567
109 (A1)--V 5.584511 6.089905
110 (E)--V 5.807096 6.225500
111 (E)--V 5.807096 6.225500
112 (A1)--V 5.921177 7.061074
113 (E)--V 5.986034 6.818724
114 (E)--V 5.986034 6.818724
115 (A1)--V 6.145908 6.744995
116 (A2)--V 6.186648 6.525354
117 (E)--V 6.200505 6.746181
118 (E)--V 6.200505 6.746181
119 (A1)--V 6.281874 8.635519
120 (A1)--V 6.564519 7.080750
121 (E)--V 6.595717 6.980660
122 (E)--V 6.595717 6.980660
123 (A1)--V 6.616983 7.051140
124 (E)--V 6.937969 7.688109
125 (E)--V 6.937969 7.688109
126 (E)--V 6.959932 7.983374
127 (E)--V 6.959932 7.983374
128 (E)--V 7.146565 7.683281
129 (E)--V 7.146565 7.683281
130 (A1)--V 7.384484 9.003013
131 (A2)--V 7.443605 7.872549
132 (E)--V 7.469499 8.260840
133 (E)--V 7.469499 8.260840
134 (E)--V 8.028166 9.243206
135 (E)--V 8.028166 9.243206
136 (A1)--V 8.157642 9.053504
137 (E)--V 8.503186 9.593946
138 (E)--V 8.503186 9.593946
139 (E)--V 8.569005 9.265377
140 (E)--V 8.569005 9.265377
141 (A2)--V 8.692107 9.460037
142 (A1)--V 8.947173 10.153225
143 (E)--V 9.053138 10.144847
144 (E)--V 9.053138 10.144847
145 (E)--V 10.987750 11.609344
146 (E)--V 10.987750 11.609344
147 (E)--V 11.116376 11.869067
148 (E)--V 11.116376 11.869067
149 (A1)--V 11.116819 17.036419
150 (A2)--V 11.450497 12.102164
151 (A1)--V 11.541363 12.272608
152 (E)--V 11.918307 12.852767
153 (E)--V 11.918307 12.852767
154 (A1)--V 11.932468 13.551217
155 (E)--V 12.108628 14.242527
156 (E)--V 12.108628 14.242527
157 (A1)--V 12.500836 13.602034
158 (E)--V 12.554344 13.009334
159 (E)--V 12.554344 13.009334
160 (A2)--V 12.626654 13.011068
161 (E)--V 12.642392 13.192005
162 (E)--V 12.642392 13.192005
163 (E)--V 12.674311 13.382672
164 (E)--V 12.674311 13.382672
165 (A1)--V 12.710091 13.261462
166 (E)--V 12.763693 14.415501
167 (E)--V 12.763693 14.415501
168 (A1)--V 12.778346 13.433163
169 (A2)--V 12.798051 13.200182
170 (E)--V 12.950095 13.789806
171 (E)--V 12.950095 13.789806
172 (E)--V 13.182397 13.989471
173 (E)--V 13.182397 13.989471
174 (A2)--V 13.261706 13.669918
175 (A1)--V 13.318042 14.460188
176 (A2)--V 13.354183 14.140709
177 (A1)--V 13.367790 16.971204
178 (E)--V 13.423817 14.010154
179 (E)--V 13.423817 14.010154
180 (E)--V 13.576098 14.185591
181 (E)--V 13.576098 14.185591
182 (A1)--V 13.638553 14.292169
183 (A2)--V 13.647926 14.242420
184 (E)--V 13.688293 14.832236
185 (E)--V 13.688293 14.832236
186 (E)--V 13.780548 14.604631
187 (E)--V 13.780548 14.604631
188 (A1)--V 13.829779 14.716337
189 (E)--V 13.849893 14.517526
190 (E)--V 13.849893 14.517526
191 (A2)--V 13.879811 14.529394
192 (E)--V 13.989994 15.003235
193 (E)--V 13.989994 15.003235
194 (A1)--V 14.074166 15.065851
195 (E)--V 14.115831 14.797170
196 (E)--V 14.115831 14.797170
197 (E)--V 14.248012 15.404973
198 (E)--V 14.248012 15.404973
199 (A1)--V 14.429935 16.116975
200 (A1)--V 14.528913 16.381912
201 (E)--V 14.674093 15.418857
202 (E)--V 14.674093 15.418857
203 (A2)--V 14.744324 15.397290
204 (E)--V 14.756858 15.937064
205 (E)--V 14.756858 15.937064
206 (E)--V 14.950466 15.790273
207 (E)--V 14.950466 15.790273
208 (A2)--V 14.972341 15.871859
209 (A1)--V 14.972474 16.382054
210 (E)--V 15.028287 16.911349
211 (E)--V 15.028287 16.911349
212 (A1)--V 15.380293 18.046427
213 (E)--V 15.591839 16.549882
214 (E)--V 15.591839 16.549882
215 (A1)--V 15.887421 17.530405
216 (E)--V 16.038550 17.818349
217 (E)--V 16.038550 17.818349
218 (A1)--V 16.234704 18.014245
219 (E)--V 16.380633 18.282306
220 (E)--V 16.380633 18.282306
221 (A1)--V 16.495972 17.692512
222 (A2)--V 16.738075 18.759764
223 (E)--V 16.742721 18.540848
224 (E)--V 16.742721 18.540848
225 (E)--V 16.946019 18.479632
226 (E)--V 16.946019 18.479632
227 (E)--V 16.986109 18.561641
228 (E)--V 16.986109 18.561641
229 (A1)--V 17.102010 18.300890
230 (E)--V 17.195728 18.293045
231 (E)--V 17.195728 18.293045
232 (A1)--V 17.216848 18.847173
233 (E)--V 17.376125 18.563664
234 (E)--V 17.376125 18.563664
235 (A2)--V 17.487531 18.284553
236 (E)--V 17.745591 19.482065
237 (E)--V 17.745591 19.482065
238 (A1)--V 17.998844 21.256613
239 (E)--V 18.018370 20.507755
240 (E)--V 18.018370 20.507755
241 (A2)--V 18.404681 19.627756
242 (E)--V 18.639613 21.206677
243 (E)--V 18.639613 21.206677
244 (E)--V 20.682287 22.090288
245 (E)--V 20.682287 22.090288
246 (A2)--V 20.689153 21.904299
247 (A1)--V 20.806965 22.919809
248 (E)--V 21.202637 23.748630
249 (E)--V 21.202637 23.748630
250 (A1)--V 21.249512 23.970918
251 (E)--V 21.985978 26.482878
252 (E)--V 21.985978 26.482878
253 (A1)--V 22.513995 25.999513
254 (E)--V 23.595886 26.865601
255 (E)--V 23.595886 26.865601
256 (A1)--V 54.073200 107.018998
Total kinetic energy from orbitals= 5.613969708360D+01
Isotropic Fermi Contact Couplings
Atom a.u. MegaHertz Gauss 10(-4) cm-1
1 N(14) 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 N(14) 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 Thu Apr 4 10:56:37 2019, MaxMem= 13421772800 cpu: 22.4
(Enter /share/apps/gaussian/g09d01/nehalem/g09/l9999.exe)
1\1\GINC-COMPUTE-3-5\SP\ROCCSD(T)-FC\CC-pV5Z\H3N1\LOOS\04-Apr-2019\0\\
#p ROCCSD(T) cc-pV5Z pop=full gfprint\\G2\\0,1\N\X,1,1.\H,1,1.01719433
,2,113.26166981\H,1,1.01719433,2,113.26166981,3,120.,0\H,1,1.01719433,
2,113.26166981,3,240.,0\\Version=ES64L-G09RevD.01\State=1-A1\HF=-56.22
41278\MP2=-56.4824846\MP3=-56.4893083\PUHF=-56.2241278\PMP2-0=-56.4824
846\MP4SDQ=-56.4903717\CCSD=-56.4902038\CCSD(T)=-56.4993559\RMSD=2.280
e-09\PG=C03V [C3(N1),3SGV(H1)]\\@
DO YOU KNOW THAT THE LETTERS IN "EPISCOPAL", WHEN
REARRANGED, SPELL "PEPSI COLA"?
Job cpu time: 0 days 16 hours 19 minutes 11.9 seconds.
File lengths (MBytes): RWF= 2292 Int= 0 D2E= 0 Chk= 6 Scr= 1
Normal termination of Gaussian 09 at Thu Apr 4 10:56:37 2019.
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